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 2zku_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQPX 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 VVICESAGTQ EDAASLRVFT 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 YHSLSR 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.583 174.600 -0.029 0.000 1.055 1 S CA 0.000 58.187 58.200 -0.021 0.000 1.107 1 S CB 0.000 63.186 63.200 -0.023 0.000 0.593 2 M N 3.661 123.235 119.600 -0.044 0.000 2.180 2 M HA 0.279 4.761 4.480 0.003 0.000 0.358 2 M C 1.884 178.085 176.300 -0.165 0.000 1.233 2 M CA -0.165 55.096 55.300 -0.065 0.000 1.114 2 M CB 0.781 33.363 32.600 -0.030 0.000 1.594 2 M HN 0.797 nan 8.290 nan 0.000 0.467 3 S N 2.865 118.405 115.700 -0.266 0.000 2.383 3 S HA -0.108 4.364 4.470 0.003 0.000 0.229 3 S C 0.096 174.293 174.600 -0.672 0.000 1.030 3 S CA 1.071 58.987 58.200 -0.474 0.000 1.002 3 S CB -0.194 62.651 63.200 -0.592 0.000 0.829 3 S HN 0.647 nan 8.310 nan 0.000 0.467 4 Y N 0.545 120.698 120.300 -0.246 0.000 2.544 4 Y HA 0.544 5.096 4.550 0.003 0.000 0.342 4 Y C -0.248 175.361 175.900 -0.485 0.000 1.062 4 Y CA -0.844 56.984 58.100 -0.453 0.000 1.023 4 Y CB 2.044 40.140 38.460 -0.607 0.000 1.308 4 Y HN 0.156 nan 8.280 nan 0.000 0.457 5 T N -2.009 112.265 114.554 -0.467 0.000 2.886 5 T HA 0.697 5.049 4.350 0.003 0.000 0.292 5 T C -1.380 173.025 174.700 -0.493 0.000 1.012 5 T CA -0.786 61.133 62.100 -0.302 0.000 0.982 5 T CB 1.009 69.815 68.868 -0.104 0.000 1.018 5 T HN 0.505 nan 8.240 nan 0.000 0.451 6 W N 1.115 122.467 121.300 0.087 0.000 2.706 6 W HA 0.522 5.183 4.660 0.003 0.000 0.346 6 W C 1.525 178.072 176.519 0.047 0.000 1.071 6 W CA -0.610 56.772 57.345 0.061 0.000 1.206 6 W CB 1.884 31.363 29.460 0.032 0.000 1.413 6 W HN 0.890 nan 8.180 nan 0.000 0.542 7 T N -2.642 112.079 114.554 0.279 0.000 3.010 7 T HA 0.336 4.687 4.350 0.003 0.000 0.252 7 T C 1.382 176.166 174.700 0.141 0.000 1.047 7 T CA 1.130 63.328 62.100 0.164 0.000 1.140 7 T CB -0.072 68.870 68.868 0.124 0.000 0.885 7 T HN 1.160 nan 8.240 nan 0.000 0.464 8 G N 1.110 110.004 108.800 0.156 0.000 2.421 8 G HA2 0.161 4.123 3.960 0.003 0.000 0.188 8 G HA3 0.161 4.123 3.960 0.003 0.000 0.188 8 G C 0.348 175.283 174.900 0.059 0.000 1.001 8 G CA -0.116 45.036 45.100 0.086 0.000 0.693 8 G HN 0.983 nan 8.290 nan 0.000 0.479 9 A N 1.042 123.910 122.820 0.080 0.000 2.498 9 A HA 0.615 4.937 4.320 0.003 0.000 0.239 9 A C 0.731 178.337 177.584 0.038 0.000 1.068 9 A CA 0.333 52.404 52.037 0.057 0.000 0.766 9 A CB 0.130 19.171 19.000 0.070 0.000 1.003 9 A HN 0.822 nan 8.150 nan 0.000 0.497 10 L N 1.828 123.058 121.223 0.011 0.000 2.418 10 L HA 0.318 4.660 4.340 0.003 0.000 0.265 10 L C 0.117 176.983 176.870 -0.007 0.000 1.143 10 L CA -0.353 54.476 54.840 -0.018 0.000 0.809 10 L CB 0.780 42.828 42.059 -0.020 0.000 1.124 10 L HN 0.558 nan 8.230 nan 0.000 0.456 11 I N 1.676 122.226 120.570 -0.034 0.000 2.363 11 I HA 0.089 4.261 4.170 0.003 0.000 0.292 11 I C 0.457 176.572 176.117 -0.002 0.000 1.075 11 I CA -0.052 61.242 61.300 -0.011 0.000 1.333 11 I CB 0.840 38.817 38.000 -0.039 0.000 1.415 11 I HN 0.662 nan 8.210 nan 0.000 0.502 12 T N 5.143 119.705 114.554 0.013 0.000 2.929 12 T HA 0.561 4.913 4.350 0.003 0.000 0.284 12 T C -2.400 172.317 174.700 0.028 0.000 1.014 12 T CA -1.982 60.128 62.100 0.016 0.000 1.051 12 T CB 1.726 70.603 68.868 0.015 0.000 1.028 12 T HN 0.285 nan 8.240 nan 0.000 0.485 13 P HA 0.261 nan 4.420 nan 0.000 0.276 13 P C 0.055 177.377 177.300 0.037 0.000 1.244 13 P CA -0.667 62.456 63.100 0.037 0.000 0.801 13 P CB 1.153 32.874 31.700 0.036 0.000 1.006 14 C N 0.851 120.176 119.300 0.043 0.000 2.906 14 C HA 0.658 5.120 4.460 0.003 0.000 0.274 14 C C 0.648 175.656 174.990 0.030 0.000 1.257 14 C CA 0.684 59.725 59.018 0.038 0.000 1.695 14 C CB -1.705 26.065 27.740 0.050 0.000 1.958 14 C HN 0.753 nan 8.230 nan 0.000 0.619 15 A N -0.448 122.391 122.820 0.032 0.000 2.410 15 A HA 0.645 4.966 4.320 0.003 0.000 0.300 15 A C -0.722 176.883 177.584 0.036 0.000 1.077 15 A CA 0.106 52.161 52.037 0.030 0.000 0.610 15 A CB -0.559 18.458 19.000 0.029 0.000 1.371 15 A HN 1.051 nan 8.150 nan 0.000 0.510 16 A N -0.045 122.797 122.820 0.037 0.000 2.498 16 A HA 0.511 4.833 4.320 0.003 0.000 0.239 16 A C -0.007 177.614 177.584 0.062 0.000 1.068 16 A CA 0.611 52.675 52.037 0.044 0.000 0.766 16 A CB -0.326 18.698 19.000 0.039 0.000 1.003 16 A HN 0.571 nan 8.150 nan 0.000 0.497 17 E N 1.693 121.936 120.200 0.072 0.000 2.155 17 E HA 0.268 4.619 4.350 0.003 0.000 0.264 17 E C -0.986 175.694 176.600 0.134 0.000 0.886 17 E CA -0.699 55.759 56.400 0.097 0.000 0.752 17 E CB 1.371 31.120 29.700 0.082 0.000 1.133 17 E HN 0.604 nan 8.360 nan 0.000 0.414 18 E N 1.522 121.840 120.200 0.198 0.000 2.259 18 E HA 0.068 4.420 4.350 0.003 0.000 0.281 18 E C 0.380 177.206 176.600 0.376 0.000 1.037 18 E CA -0.041 56.525 56.400 0.276 0.000 0.854 18 E CB 1.439 31.340 29.700 0.334 0.000 1.051 18 E HN 0.559 nan 8.360 nan 0.000 0.409 19 S N 2.034 117.926 115.700 0.320 0.000 2.523 19 S HA 0.083 4.555 4.470 0.003 0.000 0.217 19 S C 0.453 175.310 174.600 0.427 0.000 0.996 19 S CA -0.231 58.158 58.200 0.315 0.000 0.921 19 S CB 0.093 63.419 63.200 0.210 0.000 0.829 19 S HN 0.435 nan 8.310 nan 0.000 0.495 20 K N 0.505 121.176 120.400 0.451 0.000 2.502 20 K HA 0.618 4.940 4.320 0.003 0.000 0.257 20 K C -1.331 175.397 176.600 0.213 0.000 0.938 20 K CA -1.108 55.425 56.287 0.410 0.000 0.819 20 K CB 1.260 33.907 32.500 0.245 0.000 1.333 20 K HN 0.035 nan 8.250 nan 0.000 0.434 21 L N 3.619 124.966 121.223 0.207 0.000 2.455 21 L HA 0.232 4.574 4.340 0.003 0.000 0.272 21 L C -2.232 174.579 176.870 -0.100 0.000 1.174 21 L CA -0.895 53.881 54.840 -0.107 0.000 0.869 21 L CB -0.030 42.106 42.059 0.129 0.000 1.130 21 L HN 0.606 nan 8.230 nan 0.000 0.474 22 P HA 0.133 nan 4.420 nan 0.000 0.284 22 P C -0.470 176.729 177.300 -0.169 0.000 1.253 22 P CA -0.678 62.324 63.100 -0.163 0.000 0.800 22 P CB 1.263 32.844 31.700 -0.197 0.000 0.961 23 I N 3.625 124.090 120.570 -0.174 0.000 2.556 23 I HA 0.060 4.231 4.170 0.003 0.000 0.284 23 I C -0.125 175.900 176.117 -0.154 0.000 1.114 23 I CA 0.660 61.817 61.300 -0.238 0.000 1.418 23 I CB -0.690 37.167 38.000 -0.239 0.000 1.394 23 I HN 0.692 nan 8.210 nan 0.000 0.552 24 N N 5.264 123.881 118.700 -0.138 0.000 3.116 24 N HA 0.542 5.284 4.740 0.003 0.000 0.244 24 N C -0.299 175.173 175.510 -0.063 0.000 1.485 24 N CA -0.227 52.771 53.050 -0.087 0.000 0.884 24 N CB 0.929 39.370 38.487 -0.075 0.000 1.415 24 N HN 0.373 nan 8.380 nan 0.000 0.524 25 A N 0.554 123.349 122.820 -0.042 0.000 1.822 25 A HA 0.096 4.417 4.320 0.003 0.000 0.214 25 A C 1.781 179.360 177.584 -0.008 0.000 1.245 25 A CA 1.400 53.421 52.037 -0.027 0.000 0.608 25 A CB -1.503 17.482 19.000 -0.026 0.000 0.896 25 A HN 0.631 nan 8.150 nan 0.000 0.457 26 L N -0.121 121.100 121.223 -0.002 0.000 2.123 26 L HA -0.286 4.056 4.340 0.003 0.000 0.217 26 L C 2.890 179.825 176.870 0.109 0.000 1.081 26 L CA 1.862 56.718 54.840 0.026 0.000 0.772 26 L CB -0.550 41.499 42.059 -0.018 0.000 0.890 26 L HN 0.572 nan 8.230 nan 0.000 0.437 27 S N -0.081 115.654 115.700 0.058 0.000 2.371 27 S HA -0.173 4.299 4.470 0.003 0.000 0.224 27 S C 1.737 176.355 174.600 0.030 0.000 1.029 27 S CA 1.561 59.791 58.200 0.050 0.000 0.978 27 S CB -0.228 62.978 63.200 0.010 0.000 0.833 27 S HN 0.484 nan 8.310 nan 0.000 0.466 28 N N 1.102 119.806 118.700 0.007 0.000 2.289 28 N HA -0.081 4.660 4.740 0.003 0.000 0.184 28 N C 1.694 177.219 175.510 0.026 0.000 1.016 28 N CA 1.597 54.652 53.050 0.009 0.000 0.872 28 N CB -0.275 38.199 38.487 -0.022 0.000 0.973 28 N HN 0.504 nan 8.380 nan 0.000 0.433 29 S N -1.037 114.684 115.700 0.036 0.000 2.515 29 S HA -0.061 4.411 4.470 0.003 0.000 0.231 29 S C 1.623 176.269 174.600 0.077 0.000 0.987 29 S CA 0.439 58.657 58.200 0.029 0.000 0.936 29 S CB -0.167 63.053 63.200 0.033 0.000 0.766 29 S HN 0.339 nan 8.310 nan 0.000 0.528 30 L N 0.119 121.394 121.223 0.086 0.000 2.262 30 L HA 0.587 4.929 4.340 0.003 0.000 0.197 30 L C 0.203 177.133 176.870 0.099 0.000 1.073 30 L CA 0.855 55.747 54.840 0.087 0.000 0.800 30 L CB 0.064 41.943 42.059 -0.300 0.000 0.987 30 L HN 0.500 nan 8.230 nan 0.000 0.470 31 L N -0.700 120.552 121.223 0.047 0.000 2.436 31 L HA 0.420 4.761 4.340 0.003 0.000 0.268 31 L C 0.474 177.389 176.870 0.074 0.000 0.974 31 L CA -0.491 54.377 54.840 0.046 0.000 0.826 31 L CB 1.688 43.778 42.059 0.052 0.000 1.291 31 L HN 0.080 nan 8.230 nan 0.000 0.406 32 R N 1.451 121.976 120.500 0.043 0.000 2.128 32 R HA 0.128 4.470 4.340 0.003 0.000 0.211 32 R C 0.183 176.681 176.300 0.330 0.000 1.067 32 R CA 0.354 56.545 56.100 0.153 0.000 1.010 32 R CB 0.028 30.387 30.300 0.097 0.000 0.922 32 R HN 0.669 nan 8.270 nan 0.000 0.457 33 H N 2.419 121.558 119.070 0.116 0.000 3.268 33 H HA 0.013 4.570 4.556 0.003 0.000 0.213 33 H C 0.903 176.245 175.328 0.023 0.000 1.858 33 H CA -0.512 55.550 56.048 0.023 0.000 1.386 33 H CB -0.063 29.711 29.762 0.020 0.000 1.734 33 H HN 0.392 nan 8.280 nan 0.000 0.612 34 H N -0.087 119.086 119.070 0.172 0.000 2.543 34 H HA -0.087 4.470 4.556 0.003 0.000 0.286 34 H C 0.781 176.201 175.328 0.152 0.000 1.037 34 H CA 0.430 56.562 56.048 0.141 0.000 1.250 34 H CB 0.109 29.929 29.762 0.096 0.000 1.373 34 H HN 0.461 nan 8.280 nan 0.000 0.580 35 N N 0.554 119.165 118.700 -0.148 0.000 2.463 35 N HA 0.026 4.768 4.740 0.003 0.000 0.181 35 N C 1.470 177.023 175.510 0.072 0.000 1.078 35 N CA 0.379 53.404 53.050 -0.042 0.000 0.902 35 N CB 0.048 38.452 38.487 -0.139 0.000 0.970 35 N HN 0.466 nan 8.380 nan 0.000 0.451 36 M N 0.071 119.741 119.600 0.116 0.000 2.541 36 M HA 0.082 4.564 4.480 0.003 0.000 0.252 36 M C 0.064 176.526 176.300 0.270 0.000 1.125 36 M CA 0.344 55.743 55.300 0.165 0.000 1.091 36 M CB 0.660 33.355 32.600 0.158 0.000 1.420 36 M HN -0.265 nan 8.290 nan 0.000 0.486 37 V N 1.400 121.482 119.914 0.280 0.000 2.407 37 V HA 0.313 4.435 4.120 0.003 0.000 0.278 37 V C -0.763 175.584 176.094 0.421 0.000 1.037 37 V CA -0.690 61.798 62.300 0.313 0.000 0.900 37 V CB 0.338 32.339 31.823 0.297 0.000 0.983 37 V HN 0.305 nan 8.190 nan 0.000 0.459 38 Y N 2.603 123.018 120.300 0.191 0.000 2.615 38 Y HA 0.919 5.470 4.550 0.003 0.000 0.341 38 Y C -0.469 175.430 175.900 -0.002 0.000 1.089 38 Y CA -1.657 56.545 58.100 0.170 0.000 1.049 38 Y CB 1.616 40.159 38.460 0.139 0.000 1.296 38 Y HN 0.675 nan 8.280 nan 0.000 0.470 39 A N 1.587 124.379 122.820 -0.046 0.000 2.331 39 A HA 0.664 4.986 4.320 0.003 0.000 0.320 39 A C -0.111 177.496 177.584 0.039 0.000 1.138 39 A CA -0.394 51.447 52.037 -0.326 0.000 0.790 39 A CB 0.417 19.019 19.000 -0.664 0.000 1.206 39 A HN 1.099 nan 8.150 nan 0.000 0.470 40 T N 0.267 114.853 114.554 0.053 0.000 2.898 40 T HA 0.559 4.910 4.350 0.003 0.000 0.301 40 T C 0.429 175.183 174.700 0.090 0.000 1.049 40 T CA 0.437 62.636 62.100 0.165 0.000 1.095 40 T CB 0.763 69.746 68.868 0.191 0.000 0.976 40 T HN 1.500 nan 8.240 nan 0.000 0.539 41 T N -2.089 112.523 114.554 0.096 0.000 2.838 41 T HA 0.480 4.832 4.350 0.003 0.000 0.292 41 T C 1.304 176.034 174.700 0.051 0.000 1.113 41 T CA -0.250 61.892 62.100 0.069 0.000 1.008 41 T CB 1.212 70.126 68.868 0.077 0.000 1.259 41 T HN 0.761 nan 8.240 nan 0.000 0.520 42 S N -0.139 115.584 115.700 0.040 0.000 2.500 42 S HA -0.080 4.391 4.470 0.003 0.000 0.239 42 S C 1.681 176.285 174.600 0.007 0.000 0.989 42 S CA 0.218 58.431 58.200 0.021 0.000 0.951 42 S CB -0.666 62.546 63.200 0.021 0.000 0.759 42 S HN 0.704 nan 8.310 nan 0.000 0.523 43 R N 1.447 121.958 120.500 0.018 0.000 2.237 43 R HA -0.002 4.340 4.340 0.003 0.000 0.219 43 R C 1.920 178.218 176.300 -0.005 0.000 1.080 43 R CA 1.339 57.444 56.100 0.008 0.000 0.995 43 R CB -0.339 29.973 30.300 0.020 0.000 0.875 43 R HN 0.730 nan 8.270 nan 0.000 0.462 44 S N -1.144 114.556 115.700 0.001 0.000 2.539 44 S HA 0.239 4.710 4.470 0.003 0.000 0.221 44 S C 1.826 176.404 174.600 -0.036 0.000 0.987 44 S CA 0.141 58.334 58.200 -0.012 0.000 0.929 44 S CB 0.895 64.102 63.200 0.012 0.000 0.832 44 S HN 0.233 nan 8.310 nan 0.000 0.492 45 A N 2.270 125.063 122.820 -0.045 0.000 1.927 45 A HA 0.025 4.347 4.320 0.003 0.000 0.220 45 A C 2.292 179.783 177.584 -0.155 0.000 1.185 45 A CA 1.937 53.923 52.037 -0.086 0.000 0.639 45 A CB -1.794 17.155 19.000 -0.086 0.000 0.820 45 A HN 0.690 nan 8.150 nan 0.000 0.451 46 G N -0.354 108.355 108.800 -0.152 0.000 2.442 46 G HA2 -0.187 3.774 3.960 0.003 0.000 0.219 46 G HA3 -0.187 3.774 3.960 0.003 0.000 0.219 46 G C 1.530 176.331 174.900 -0.164 0.000 1.141 46 G CA 1.071 46.054 45.100 -0.195 0.000 0.763 46 G HN 0.476 nan 8.290 nan 0.000 0.554 47 L N -0.304 120.858 121.223 -0.102 0.000 2.046 47 L HA -0.026 4.315 4.340 0.003 0.000 0.208 47 L C 2.897 179.730 176.870 -0.062 0.000 1.077 47 L CA 1.274 56.073 54.840 -0.068 0.000 0.747 47 L CB -0.355 41.678 42.059 -0.043 0.000 0.896 47 L HN 0.161 nan 8.230 nan 0.000 0.432 48 R N 0.556 121.014 120.500 -0.069 0.000 2.075 48 R HA -0.144 4.197 4.340 0.003 0.000 0.232 48 R C 2.239 178.493 176.300 -0.076 0.000 1.126 48 R CA 1.478 57.551 56.100 -0.044 0.000 0.963 48 R CB -0.379 29.901 30.300 -0.032 0.000 0.858 48 R HN 0.376 nan 8.270 nan 0.000 0.435 49 Q N 0.126 119.798 119.800 -0.213 0.000 2.096 49 Q HA -0.194 4.148 4.340 0.003 0.000 0.204 49 Q C 1.985 177.900 176.000 -0.142 0.000 0.982 49 Q CA 2.054 57.637 55.803 -0.366 0.000 0.850 49 Q CB -0.151 28.073 28.738 -0.857 0.000 0.901 49 Q HN 0.343 nan 8.270 nan 0.000 0.422 50 K N 0.707 121.044 120.400 -0.104 0.000 2.097 50 K HA -0.123 4.199 4.320 0.003 0.000 0.206 50 K C 2.036 178.701 176.600 0.108 0.000 1.049 50 K CA 1.004 57.297 56.287 0.010 0.000 0.933 50 K CB 0.013 32.507 32.500 -0.009 0.000 0.717 50 K HN 0.099 nan 8.250 nan 0.000 0.442 51 K N 0.596 121.053 120.400 0.095 0.000 2.025 51 K HA -0.104 4.217 4.320 0.003 0.000 0.207 51 K C 2.029 178.813 176.600 0.306 0.000 1.049 51 K CA 1.577 57.963 56.287 0.165 0.000 0.933 51 K CB -0.093 32.474 32.500 0.112 0.000 0.714 51 K HN 0.111 nan 8.250 nan 0.000 0.438 52 V N -0.931 119.132 119.914 0.248 0.000 3.380 52 V HA 0.005 4.127 4.120 0.003 0.000 0.268 52 V C 0.438 176.649 176.094 0.195 0.000 1.168 52 V CA 0.544 63.014 62.300 0.283 0.000 1.156 52 V CB -0.351 31.611 31.823 0.231 0.000 0.785 52 V HN -0.001 nan 8.190 nan 0.000 0.487 53 T N 4.337 119.057 114.554 0.277 0.000 2.753 53 T HA 0.700 5.052 4.350 0.003 0.000 0.297 53 T C -0.737 174.107 174.700 0.240 0.000 0.981 53 T CA -0.022 62.229 62.100 0.252 0.000 0.956 53 T CB 0.260 69.400 68.868 0.453 0.000 0.936 53 T HN 0.645 nan 8.240 nan 0.000 0.463 54 F N -0.060 119.996 119.950 0.177 0.000 2.773 54 F HA 0.655 5.184 4.527 0.003 0.000 0.314 54 F C -1.228 174.614 175.800 0.070 0.000 1.160 54 F CA -1.795 56.269 58.000 0.108 0.000 0.920 54 F CB 0.686 39.739 39.000 0.088 0.000 1.323 54 F HN 0.267 nan 8.300 nan 0.000 0.457 55 D N 0.606 121.210 120.400 0.340 0.000 2.255 55 D HA 0.524 5.166 4.640 0.003 0.000 0.249 55 D C -0.911 175.549 176.300 0.268 0.000 1.078 55 D CA -0.074 54.045 54.000 0.199 0.000 0.896 55 D CB 0.962 41.837 40.800 0.124 0.000 1.194 55 D HN 0.580 nan 8.370 nan 0.000 0.429 56 R N 2.136 122.730 120.500 0.158 0.000 2.393 56 R HA 0.596 4.938 4.340 0.003 0.000 0.310 56 R C -1.068 175.272 176.300 0.068 0.000 0.968 56 R CA -0.886 55.301 56.100 0.144 0.000 0.867 56 R CB 1.258 31.619 30.300 0.102 0.000 1.124 56 R HN 0.390 nan 8.270 nan 0.000 0.450 57 L N 1.727 122.981 121.223 0.052 0.000 2.349 57 L HA 0.435 4.777 4.340 0.003 0.000 0.278 57 L C -1.058 175.815 176.870 0.006 0.000 0.996 57 L CA -0.003 54.849 54.840 0.020 0.000 0.825 57 L CB 1.599 43.665 42.059 0.013 0.000 1.243 57 L HN 0.549 nan 8.230 nan 0.000 0.412 58 Q N 3.832 123.627 119.800 -0.008 0.000 2.333 58 Q HA 0.691 5.033 4.340 0.003 0.000 0.267 58 Q C -1.590 174.390 176.000 -0.033 0.000 1.012 58 Q CA -0.808 54.982 55.803 -0.021 0.000 0.824 58 Q CB 2.905 31.615 28.738 -0.046 0.000 1.290 58 Q HN 0.524 nan 8.270 nan 0.000 0.449 59 V N 4.691 124.592 119.914 -0.021 0.000 2.447 59 V HA 0.385 4.507 4.120 0.003 0.000 0.292 59 V C -0.506 175.596 176.094 0.013 0.000 1.021 59 V CA -0.560 61.727 62.300 -0.022 0.000 0.850 59 V CB 1.411 33.218 31.823 -0.026 0.000 1.005 59 V HN 0.644 nan 8.190 nan 0.000 0.426 60 L N 4.770 125.957 121.223 -0.061 0.000 2.343 60 L HA 0.726 5.067 4.340 0.003 0.000 0.275 60 L C -0.125 176.762 176.870 0.028 0.000 1.056 60 L CA -0.452 54.323 54.840 -0.109 0.000 0.804 60 L CB 1.656 43.496 42.059 -0.364 0.000 1.203 60 L HN 0.758 nan 8.230 nan 0.000 0.440 61 D N -1.320 119.159 120.400 0.132 0.000 2.727 61 D HA 0.211 4.852 4.640 0.003 0.000 0.264 61 D C 0.063 176.420 176.300 0.095 0.000 1.101 61 D CA -0.628 53.437 54.000 0.108 0.000 1.122 61 D CB 0.632 41.515 40.800 0.139 0.000 1.390 61 D HN 0.272 nan 8.370 nan 0.000 0.606 62 D N -1.329 119.065 120.400 -0.011 0.000 2.178 62 D HA -0.135 4.507 4.640 0.003 0.000 0.202 62 D C 1.632 177.916 176.300 -0.027 0.000 0.974 62 D CA 1.097 55.065 54.000 -0.053 0.000 0.841 62 D CB -0.165 40.549 40.800 -0.142 0.000 0.953 62 D HN 0.396 nan 8.370 nan 0.000 0.478 63 H N -0.413 118.716 119.070 0.098 0.000 2.353 63 H HA -0.148 4.410 4.556 0.003 0.000 0.300 63 H C 2.010 177.365 175.328 0.045 0.000 1.090 63 H CA 0.944 57.039 56.048 0.077 0.000 1.327 63 H CB -0.638 29.194 29.762 0.117 0.000 1.383 63 H HN 0.299 nan 8.280 nan 0.000 0.508 64 Y N 2.022 122.341 120.300 0.032 0.000 2.097 64 Y HA -0.234 4.318 4.550 0.003 0.000 0.282 64 Y C 2.742 178.590 175.900 -0.087 0.000 1.152 64 Y CA 1.621 59.626 58.100 -0.159 0.000 1.136 64 Y CB -0.122 38.156 38.460 -0.303 0.000 0.975 64 Y HN -0.054 nan 8.280 nan 0.000 0.498 65 R N 0.159 120.733 120.500 0.123 0.000 2.091 65 R HA -0.186 4.156 4.340 0.003 0.000 0.238 65 R C 1.824 178.098 176.300 -0.042 0.000 1.136 65 R CA 1.670 57.791 56.100 0.035 0.000 0.959 65 R CB -0.425 29.918 30.300 0.072 0.000 0.856 65 R HN 0.456 nan 8.270 nan 0.000 0.437 66 D N 0.062 120.453 120.400 -0.015 0.000 2.097 66 D HA -0.119 4.523 4.640 0.003 0.000 0.195 66 D C 2.027 178.303 176.300 -0.041 0.000 0.989 66 D CA 1.080 55.073 54.000 -0.012 0.000 0.827 66 D CB -0.305 40.511 40.800 0.028 0.000 0.966 66 D HN 0.010 nan 8.370 nan 0.000 0.456 67 V N 1.305 121.176 119.914 -0.071 0.000 2.343 67 V HA -0.217 3.905 4.120 0.003 0.000 0.247 67 V C 2.499 178.516 176.094 -0.129 0.000 1.051 67 V CA 1.066 63.309 62.300 -0.096 0.000 1.036 67 V CB -0.462 31.271 31.823 -0.150 0.000 0.654 67 V HN 0.126 nan 8.190 nan 0.000 0.451 68 L N 0.555 121.632 121.223 -0.243 0.000 2.079 68 L HA -0.192 4.150 4.340 0.003 0.000 0.210 68 L C 2.413 179.213 176.870 -0.116 0.000 1.081 68 L CA 2.265 56.963 54.840 -0.236 0.000 0.752 68 L CB -0.839 41.013 42.059 -0.345 0.000 0.896 68 L HN 0.317 nan 8.230 nan 0.000 0.433 69 K N -0.531 119.819 120.400 -0.084 0.000 2.057 69 K HA -0.207 4.115 4.320 0.003 0.000 0.207 69 K C 1.933 178.515 176.600 -0.031 0.000 1.049 69 K CA 1.797 58.056 56.287 -0.045 0.000 0.931 69 K CB -0.118 32.365 32.500 -0.029 0.000 0.714 69 K HN 0.488 nan 8.250 nan 0.000 0.440 70 E N 0.243 120.429 120.200 -0.024 0.000 2.072 70 E HA -0.174 4.178 4.350 0.003 0.000 0.191 70 E C 2.096 178.695 176.600 -0.003 0.000 0.985 70 E CA 1.585 57.983 56.400 -0.003 0.000 0.801 70 E CB -0.051 29.659 29.700 0.015 0.000 0.750 70 E HN 0.345 nan 8.360 nan 0.000 0.452 71 M N 0.562 120.158 119.600 -0.007 0.000 2.086 71 M HA -0.182 4.300 4.480 0.003 0.000 0.261 71 M C 2.116 178.393 176.300 -0.039 0.000 1.067 71 M CA 1.515 56.806 55.300 -0.016 0.000 1.116 71 M CB -0.155 32.435 32.600 -0.016 0.000 1.348 71 M HN -0.059 nan 8.290 nan 0.000 0.407 72 K N 0.273 120.647 120.400 -0.043 0.000 2.097 72 K HA -0.081 4.241 4.320 0.003 0.000 0.206 72 K C 2.101 178.685 176.600 -0.026 0.000 1.049 72 K CA 1.349 57.612 56.287 -0.039 0.000 0.933 72 K CB -0.284 32.193 32.500 -0.038 0.000 0.717 72 K HN 0.303 nan 8.250 nan 0.000 0.442 73 A N 1.999 124.807 122.820 -0.021 0.000 1.902 73 A HA -0.199 4.122 4.320 0.003 0.000 0.217 73 A C 1.888 179.462 177.584 -0.017 0.000 1.181 73 A CA 1.530 53.558 52.037 -0.015 0.000 0.623 73 A CB -0.241 18.753 19.000 -0.010 0.000 0.818 73 A HN 0.195 nan 8.150 nan 0.000 0.443 74 K N -0.438 119.949 120.400 -0.022 0.000 2.103 74 K HA 0.062 4.383 4.320 0.003 0.000 0.204 74 K C 2.262 178.840 176.600 -0.036 0.000 1.052 74 K CA 0.893 57.163 56.287 -0.030 0.000 0.945 74 K CB -0.276 32.200 32.500 -0.040 0.000 0.722 74 K HN 0.416 nan 8.250 nan 0.000 0.443 75 A N 1.196 123.994 122.820 -0.037 0.000 1.972 75 A HA -0.138 4.183 4.320 0.003 0.000 0.219 75 A C 2.057 179.632 177.584 -0.015 0.000 1.169 75 A CA 1.634 53.653 52.037 -0.030 0.000 0.635 75 A CB -0.458 18.527 19.000 -0.025 0.000 0.810 75 A HN 0.155 nan 8.150 nan 0.000 0.446 76 S N -0.319 115.373 115.700 -0.013 0.000 2.500 76 S HA -0.094 4.378 4.470 0.003 0.000 0.239 76 S C 1.816 176.412 174.600 -0.006 0.000 0.989 76 S CA 1.538 59.735 58.200 -0.006 0.000 0.951 76 S CB -0.470 62.727 63.200 -0.006 0.000 0.759 76 S HN 0.904 nan 8.310 nan 0.000 0.523 77 T N -1.195 113.351 114.554 -0.013 0.000 3.107 77 T HA 0.255 4.607 4.350 0.003 0.000 0.249 77 T C 0.364 175.055 174.700 -0.015 0.000 1.096 77 T CA -0.187 61.905 62.100 -0.013 0.000 1.012 77 T CB -0.147 68.712 68.868 -0.017 0.000 0.977 77 T HN 0.004 nan 8.240 nan 0.000 0.527 78 V N 1.822 121.727 119.914 -0.015 0.000 2.439 78 V HA 0.460 4.581 4.120 0.003 0.000 0.282 78 V C -0.014 176.077 176.094 -0.006 0.000 1.039 78 V CA -0.976 61.314 62.300 -0.017 0.000 0.913 78 V CB 1.517 33.325 31.823 -0.026 0.000 0.983 78 V HN 0.356 nan 8.190 nan 0.000 0.460 79 K N 3.435 123.831 120.400 -0.006 0.000 2.323 79 K HA 0.791 5.112 4.320 0.003 0.000 0.259 79 K C -0.759 175.842 176.600 0.001 0.000 0.947 79 K CA -0.415 55.873 56.287 0.002 0.000 0.819 79 K CB 1.623 34.125 32.500 0.003 0.000 1.109 79 K HN 0.839 nan 8.250 nan 0.000 0.429 80 A N 3.797 126.622 122.820 0.008 0.000 2.401 80 A HA 0.557 4.879 4.320 0.003 0.000 0.310 80 A C -1.271 176.327 177.584 0.024 0.000 1.075 80 A CA -0.878 51.165 52.037 0.009 0.000 0.746 80 A CB 1.310 20.310 19.000 0.000 0.000 1.277 80 A HN 0.731 nan 8.150 nan 0.000 0.425 81 K N 1.685 122.102 120.400 0.028 0.000 2.238 81 K HA 0.648 4.970 4.320 0.003 0.000 0.239 81 K C -1.281 175.348 176.600 0.049 0.000 0.987 81 K CA -0.732 55.577 56.287 0.036 0.000 0.857 81 K CB 1.239 33.756 32.500 0.028 0.000 1.154 81 K HN 0.460 nan 8.250 nan 0.000 0.439 82 L N 1.697 122.947 121.223 0.045 0.000 2.371 82 L HA 0.260 4.601 4.340 0.003 0.000 0.272 82 L C -0.538 176.331 176.870 -0.001 0.000 1.124 82 L CA -0.520 54.343 54.840 0.039 0.000 0.816 82 L CB 0.397 42.477 42.059 0.035 0.000 1.129 82 L HN 0.629 nan 8.230 nan 0.000 0.448 83 L N 3.240 124.452 121.223 -0.018 0.000 2.334 83 L HA 0.413 4.755 4.340 0.003 0.000 0.277 83 L C 0.411 177.207 176.870 -0.123 0.000 1.075 83 L CA 0.314 55.129 54.840 -0.041 0.000 0.804 83 L CB 1.425 43.473 42.059 -0.018 0.000 1.174 83 L HN 0.849 nan 8.230 nan 0.000 0.438 84 S N 2.109 117.744 115.700 -0.108 0.000 2.600 84 S HA 0.164 4.636 4.470 0.003 0.000 0.265 84 S C 1.278 175.783 174.600 -0.159 0.000 1.325 84 S CA -0.609 57.511 58.200 -0.133 0.000 1.002 84 S CB 0.871 64.017 63.200 -0.090 0.000 0.921 84 S HN 0.370 nan 8.310 nan 0.000 0.554 85 V N 1.725 121.541 119.914 -0.164 0.000 2.332 85 V HA -0.150 3.972 4.120 0.003 0.000 0.248 85 V C 2.602 178.608 176.094 -0.145 0.000 1.055 85 V CA 2.343 64.540 62.300 -0.173 0.000 1.038 85 V CB -1.357 30.363 31.823 -0.172 0.000 0.651 85 V HN 0.861 nan 8.190 nan 0.000 0.450 86 E N 0.247 120.376 120.200 -0.117 0.000 2.077 86 E HA -0.209 4.142 4.350 0.003 0.000 0.193 86 E C 2.198 178.731 176.600 -0.111 0.000 0.989 86 E CA 1.488 57.826 56.400 -0.104 0.000 0.800 86 E CB -0.287 29.366 29.700 -0.079 0.000 0.746 86 E HN 0.685 nan 8.360 nan 0.000 0.452 87 E N 0.213 120.346 120.200 -0.113 0.000 2.072 87 E HA -0.144 4.208 4.350 0.003 0.000 0.191 87 E C 2.070 178.561 176.600 -0.182 0.000 0.985 87 E CA 0.947 57.271 56.400 -0.128 0.000 0.801 87 E CB -0.181 29.458 29.700 -0.101 0.000 0.750 87 E HN 0.276 nan 8.360 nan 0.000 0.452 88 A N 0.872 123.586 122.820 -0.176 0.000 1.902 88 A HA -0.192 4.130 4.320 0.003 0.000 0.217 88 A C 2.422 179.899 177.584 -0.178 0.000 1.181 88 A CA 1.174 53.095 52.037 -0.193 0.000 0.623 88 A CB -0.856 18.056 19.000 -0.147 0.000 0.818 88 A HN 0.359 nan 8.150 nan 0.000 0.443 89 C N -0.790 118.421 119.300 -0.147 0.000 2.429 89 C HA -0.053 4.409 4.460 0.003 0.000 0.277 89 C C 2.580 177.487 174.990 -0.137 0.000 1.262 89 C CA 1.430 60.373 59.018 -0.126 0.000 1.733 89 C CB -0.950 26.720 27.740 -0.115 0.000 2.010 89 C HN 0.540 nan 8.230 nan 0.000 0.483 90 K N 0.768 121.081 120.400 -0.145 0.000 2.362 90 K HA 0.065 4.387 4.320 0.003 0.000 0.200 90 K C 1.491 177.986 176.600 -0.175 0.000 1.046 90 K CA 0.729 56.935 56.287 -0.134 0.000 0.952 90 K CB -0.319 32.111 32.500 -0.117 0.000 0.753 90 K HN 0.497 nan 8.250 nan 0.000 0.466 91 L N 0.201 121.266 121.223 -0.262 0.000 2.509 91 L HA 0.031 4.372 4.340 0.003 0.000 0.222 91 L C 0.118 176.836 176.870 -0.254 0.000 1.123 91 L CA 0.191 54.804 54.840 -0.378 0.000 0.856 91 L CB -0.108 41.617 42.059 -0.557 0.000 0.985 91 L HN -0.043 nan 8.230 nan 0.000 0.456 92 T N 1.849 116.291 114.554 -0.187 0.000 2.814 92 T HA 0.179 4.531 4.350 0.003 0.000 0.297 92 T C -2.293 172.268 174.700 -0.231 0.000 0.956 92 T CA -1.028 60.973 62.100 -0.164 0.000 1.123 92 T CB 0.914 69.707 68.868 -0.126 0.000 0.902 92 T HN -0.124 nan 8.240 nan 0.000 0.528 93 P HA 0.141 nan 4.420 nan 0.000 0.268 93 P C -1.898 175.106 177.300 -0.494 0.000 1.204 93 P CA -1.342 61.505 63.100 -0.422 0.000 0.768 93 P CB 0.216 31.794 31.700 -0.203 0.000 0.842 94 P HA -0.163 nan 4.420 nan 0.000 0.220 94 P C 0.503 177.402 177.300 -0.667 0.000 1.144 94 P CA 1.633 64.311 63.100 -0.704 0.000 0.800 94 P CB -0.079 31.099 31.700 -0.871 0.000 0.772 95 H N -2.571 116.377 119.070 -0.203 0.000 2.512 95 H HA 0.271 4.828 4.556 0.003 0.000 0.276 95 H C 0.543 175.801 175.328 -0.118 0.000 1.126 95 H CA -0.328 55.642 56.048 -0.130 0.000 1.060 95 H CB -0.009 29.691 29.762 -0.104 0.000 1.646 95 H HN 0.037 nan 8.280 nan 0.000 0.571 96 S N 1.031 116.686 115.700 -0.075 0.000 2.569 96 S HA 0.282 4.753 4.470 0.003 0.000 0.274 96 S C 0.722 175.292 174.600 -0.050 0.000 1.353 96 S CA -0.359 57.795 58.200 -0.077 0.000 1.023 96 S CB 0.424 63.572 63.200 -0.087 0.000 0.876 96 S HN 0.516 nan 8.310 nan 0.000 0.540 97 A N 3.804 126.586 122.820 -0.064 0.000 2.520 97 A HA 0.297 4.618 4.320 0.003 0.000 0.245 97 A C 0.484 178.062 177.584 -0.011 0.000 1.072 97 A CA -0.324 51.700 52.037 -0.021 0.000 0.761 97 A CB -0.180 18.826 19.000 0.011 0.000 1.004 97 A HN 0.851 nan 8.150 nan 0.000 0.499 98 K N 2.054 122.435 120.400 -0.030 0.000 2.336 98 K HA 0.300 4.622 4.320 0.003 0.000 0.262 98 K C 0.347 176.856 176.600 -0.152 0.000 0.992 98 K CA 0.091 56.323 56.287 -0.092 0.000 0.927 98 K CB 0.386 32.835 32.500 -0.086 0.000 0.956 98 K HN 0.452 nan 8.250 nan 0.000 0.495 99 S N 0.318 115.813 115.700 -0.341 0.000 2.592 99 S HA 0.080 4.552 4.470 0.003 0.000 0.271 99 S C 0.482 174.849 174.600 -0.389 0.000 1.326 99 S CA -0.641 57.315 58.200 -0.406 0.000 1.024 99 S CB 0.667 63.332 63.200 -0.891 0.000 0.921 99 S HN 0.676 nan 8.310 nan 0.000 0.527 100 K N 2.098 122.214 120.400 -0.474 0.000 2.525 100 K HA 0.057 4.378 4.320 0.003 0.000 0.192 100 K C -0.286 175.857 176.600 -0.762 0.000 1.029 100 K CA 0.705 56.621 56.287 -0.618 0.000 1.029 100 K CB -0.101 31.931 32.500 -0.780 0.000 0.814 100 K HN 0.581 nan 8.250 nan 0.000 0.503 101 F N 0.504 120.283 119.950 -0.284 0.000 2.837 101 F HA 0.262 4.791 4.527 0.003 0.000 0.298 101 F C 1.075 176.797 175.800 -0.129 0.000 1.161 101 F CA -0.563 57.283 58.000 -0.257 0.000 1.353 101 F CB 0.584 39.283 39.000 -0.503 0.000 0.951 101 F HN 0.079 nan 8.300 nan 0.000 0.508 102 G N 0.601 109.383 108.800 -0.030 0.000 2.149 102 G HA2 -0.277 3.685 3.960 0.003 0.000 0.235 102 G HA3 -0.277 3.685 3.960 0.003 0.000 0.235 102 G C -0.384 174.618 174.900 0.171 0.000 1.018 102 G CA 0.182 45.320 45.100 0.064 0.000 0.728 102 G HN 0.609 nan 8.290 nan 0.000 0.508 103 Y N -3.002 117.296 120.300 -0.004 0.000 2.641 103 Y HA 0.720 5.271 4.550 0.003 0.000 0.333 103 Y C 0.274 176.177 175.900 0.004 0.000 1.174 103 Y CA -0.985 57.116 58.100 0.001 0.000 1.057 103 Y CB 0.491 38.956 38.460 0.009 0.000 1.322 103 Y HN 0.741 nan 8.280 nan 0.000 0.457 104 G N 0.002 108.879 108.800 0.129 0.000 3.108 104 G HA2 0.553 4.515 3.960 0.003 0.000 0.268 104 G HA3 0.553 4.515 3.960 0.003 0.000 0.268 104 G C 0.283 175.237 174.900 0.090 0.000 1.361 104 G CA -0.779 44.340 45.100 0.032 0.000 1.047 104 G HN 1.248 nan 8.290 nan 0.000 0.540 105 A N -0.435 122.392 122.820 0.011 0.000 1.940 105 A HA -0.072 4.250 4.320 0.003 0.000 0.219 105 A C 2.134 179.688 177.584 -0.050 0.000 1.176 105 A CA 2.320 54.341 52.037 -0.027 0.000 0.631 105 A CB -0.488 18.451 19.000 -0.100 0.000 0.814 105 A HN 0.615 nan 8.150 nan 0.000 0.446 106 K N -0.363 120.006 120.400 -0.051 0.000 2.026 106 K HA -0.196 4.125 4.320 0.003 0.000 0.208 106 K C 1.373 177.956 176.600 -0.029 0.000 1.048 106 K CA 1.714 57.963 56.287 -0.063 0.000 0.929 106 K CB -0.228 32.244 32.500 -0.047 0.000 0.713 106 K HN 0.473 nan 8.250 nan 0.000 0.439 107 D N 0.296 120.709 120.400 0.021 0.000 2.117 107 D HA -0.150 4.492 4.640 0.003 0.000 0.197 107 D C 2.021 178.314 176.300 -0.011 0.000 0.987 107 D CA 1.081 55.094 54.000 0.022 0.000 0.829 107 D CB -0.176 40.678 40.800 0.089 0.000 0.961 107 D HN 0.070 nan 8.370 nan 0.000 0.460 108 V N 1.474 121.404 119.914 0.027 0.000 2.261 108 V HA -0.247 3.875 4.120 0.003 0.000 0.246 108 V C 2.549 178.605 176.094 -0.063 0.000 1.047 108 V CA 1.630 63.921 62.300 -0.015 0.000 1.015 108 V CB -0.383 31.466 31.823 0.042 0.000 0.642 108 V HN 0.129 nan 8.190 nan 0.000 0.446 109 R N 0.196 120.652 120.500 -0.073 0.000 2.105 109 R HA -0.141 4.201 4.340 0.003 0.000 0.239 109 R C 1.796 178.049 176.300 -0.078 0.000 1.135 109 R CA 1.799 57.843 56.100 -0.094 0.000 0.967 109 R CB -0.462 29.762 30.300 -0.126 0.000 0.861 109 R HN 0.641 nan 8.270 nan 0.000 0.442 110 N N 0.840 119.499 118.700 -0.067 0.000 2.461 110 N HA 0.077 4.819 4.740 0.003 0.000 0.188 110 N C -0.331 175.140 175.510 -0.064 0.000 1.134 110 N CA -0.090 52.925 53.050 -0.058 0.000 0.878 110 N CB 0.202 38.661 38.487 -0.046 0.000 0.972 110 N HN 0.062 nan 8.380 nan 0.000 0.456 111 L N 1.024 122.200 121.223 -0.079 0.000 3.597 111 L HA -0.225 4.117 4.340 0.003 0.000 0.440 111 L C 0.176 176.988 176.870 -0.097 0.000 1.277 111 L CA -0.279 54.503 54.840 -0.097 0.000 0.852 111 L CB -2.454 39.554 42.059 -0.085 0.000 1.708 111 L HN 0.228 nan 8.230 nan 0.000 0.885 112 S N -2.193 113.448 115.700 -0.097 0.000 2.562 112 S HA 0.278 4.749 4.470 0.003 0.000 0.281 112 S C 1.338 175.864 174.600 -0.124 0.000 1.333 112 S CA -0.003 58.144 58.200 -0.090 0.000 1.052 112 S CB 1.820 64.976 63.200 -0.073 0.000 0.884 112 S HN 0.288 nan 8.310 nan 0.000 0.506 113 S N 2.132 117.775 115.700 -0.094 0.000 2.419 113 S HA -0.096 4.376 4.470 0.003 0.000 0.233 113 S C 1.750 176.278 174.600 -0.120 0.000 1.016 113 S CA 1.189 59.331 58.200 -0.097 0.000 0.974 113 S CB -0.371 62.797 63.200 -0.053 0.000 0.786 113 S HN 0.861 nan 8.310 nan 0.000 0.492 114 K N 1.546 121.875 120.400 -0.118 0.000 2.026 114 K HA -0.054 4.267 4.320 0.003 0.000 0.208 114 K C 2.239 178.662 176.600 -0.296 0.000 1.048 114 K CA 1.236 57.447 56.287 -0.127 0.000 0.929 114 K CB -0.344 32.115 32.500 -0.068 0.000 0.713 114 K HN 0.295 nan 8.250 nan 0.000 0.439 115 A N 0.644 123.187 122.820 -0.461 0.000 1.898 115 A HA -0.078 4.244 4.320 0.003 0.000 0.216 115 A C 2.229 179.489 177.584 -0.540 0.000 1.181 115 A CA 1.472 52.966 52.037 -0.906 0.000 0.620 115 A CB -0.575 18.019 19.000 -0.678 0.000 0.819 115 A HN 0.181 nan 8.150 nan 0.000 0.442 116 V N 0.871 120.565 119.914 -0.368 0.000 2.407 116 V HA -0.243 3.879 4.120 0.003 0.000 0.248 116 V C 2.415 178.242 176.094 -0.445 0.000 1.055 116 V CA 2.278 64.331 62.300 -0.411 0.000 1.049 116 V CB -1.096 30.516 31.823 -0.351 0.000 0.662 116 V HN 0.757 nan 8.190 nan 0.000 0.455 117 N N -0.202 118.358 118.700 -0.233 0.000 2.120 117 N HA -0.228 4.514 4.740 0.003 0.000 0.188 117 N C 2.000 177.480 175.510 -0.050 0.000 1.024 117 N CA 1.792 54.797 53.050 -0.076 0.000 0.852 117 N CB -0.360 38.116 38.487 -0.019 0.000 1.003 117 N HN 0.643 nan 8.380 nan 0.000 0.424 118 H N 0.064 119.027 119.070 -0.178 0.000 2.353 118 H HA -0.038 4.520 4.556 0.003 0.000 0.300 118 H C 1.995 177.282 175.328 -0.067 0.000 1.090 118 H CA 1.560 57.542 56.048 -0.110 0.000 1.327 118 H CB -0.081 29.646 29.762 -0.059 0.000 1.383 118 H HN 0.271 nan 8.280 nan 0.000 0.508 119 I N 0.170 120.610 120.570 -0.215 0.000 2.208 119 I HA -0.309 3.863 4.170 0.003 0.000 0.245 119 I C 2.344 178.416 176.117 -0.075 0.000 1.097 119 I CA 1.432 62.628 61.300 -0.174 0.000 1.363 119 I CB -0.466 37.430 38.000 -0.172 0.000 1.051 119 I HN 0.387 nan 8.210 nan 0.000 0.413 120 H N -0.127 118.890 119.070 -0.087 0.000 2.387 120 H HA -0.155 4.403 4.556 0.003 0.000 0.299 120 H C 2.561 177.889 175.328 0.000 0.000 1.090 120 H CA 1.458 57.488 56.048 -0.030 0.000 1.332 120 H CB 0.081 29.815 29.762 -0.045 0.000 1.386 120 H HN 0.396 nan 8.280 nan 0.000 0.516 121 S N 0.221 115.945 115.700 0.040 0.000 2.387 121 S HA -0.109 4.362 4.470 0.003 0.000 0.226 121 S C 2.265 176.816 174.600 -0.082 0.000 1.026 121 S CA 1.053 59.234 58.200 -0.032 0.000 0.972 121 S CB -0.661 62.492 63.200 -0.079 0.000 0.814 121 S HN 0.131 nan 8.310 nan 0.000 0.477 122 V N 0.935 120.743 119.914 -0.178 0.000 2.343 122 V HA -0.134 3.988 4.120 0.003 0.000 0.247 122 V C 2.253 178.358 176.094 0.019 0.000 1.051 122 V CA 1.827 64.044 62.300 -0.138 0.000 1.036 122 V CB -1.109 30.607 31.823 -0.179 0.000 0.654 122 V HN 0.709 nan 8.190 nan 0.000 0.451 123 W N 1.434 122.684 121.300 -0.084 0.000 2.355 123 W HA -0.236 4.426 4.660 0.003 0.000 0.309 123 W C 2.547 179.041 176.519 -0.042 0.000 1.206 123 W CA 2.324 59.645 57.345 -0.041 0.000 1.284 123 W CB -0.167 29.292 29.460 -0.001 0.000 1.145 123 W HN 0.236 nan 8.180 nan 0.000 0.502 124 K N 0.569 121.043 120.400 0.123 0.000 2.063 124 K HA -0.280 4.042 4.320 0.003 0.000 0.208 124 K C 1.743 178.290 176.600 -0.089 0.000 1.048 124 K CA 2.306 58.596 56.287 0.005 0.000 0.928 124 K CB -0.613 31.912 32.500 0.041 0.000 0.713 124 K HN 0.008 nan 8.250 nan 0.000 0.442 125 D N 0.243 120.596 120.400 -0.079 0.000 2.144 125 D HA -0.152 4.490 4.640 0.003 0.000 0.199 125 D C 1.946 178.163 176.300 -0.138 0.000 0.984 125 D CA 1.032 54.977 54.000 -0.093 0.000 0.834 125 D CB 0.056 40.807 40.800 -0.081 0.000 0.955 125 D HN 0.219 nan 8.370 nan 0.000 0.465 126 L N -0.127 120.974 121.223 -0.203 0.000 2.046 126 L HA -0.147 4.194 4.340 0.003 0.000 0.208 126 L C 2.470 179.165 176.870 -0.291 0.000 1.077 126 L CA 0.736 55.415 54.840 -0.269 0.000 0.747 126 L CB -0.379 41.440 42.059 -0.400 0.000 0.896 126 L HN 0.216 nan 8.230 nan 0.000 0.432 127 L N -0.836 120.178 121.223 -0.349 0.000 2.141 127 L HA -0.163 4.178 4.340 0.003 0.000 0.209 127 L C 2.243 179.019 176.870 -0.156 0.000 1.094 127 L CA 1.184 55.860 54.840 -0.272 0.000 0.763 127 L CB -0.441 41.458 42.059 -0.267 0.000 0.908 127 L HN 0.313 nan 8.230 nan 0.000 0.437 128 E N -0.948 119.175 120.200 -0.128 0.000 2.250 128 E HA -0.053 4.299 4.350 0.003 0.000 0.192 128 E C 0.160 176.715 176.600 -0.073 0.000 0.986 128 E CA 0.193 56.543 56.400 -0.083 0.000 0.849 128 E CB 0.357 30.019 29.700 -0.064 0.000 0.797 128 E HN 0.188 nan 8.360 nan 0.000 0.482 129 D N 0.239 120.588 120.400 -0.085 0.000 2.481 129 D HA 0.064 4.706 4.640 0.003 0.000 0.246 129 D C -0.211 176.041 176.300 -0.080 0.000 1.109 129 D CA -0.365 53.594 54.000 -0.069 0.000 0.845 129 D CB 1.442 42.208 40.800 -0.058 0.000 1.160 129 D HN -0.053 nan 8.370 nan 0.000 0.534 130 T N 0.369 114.883 114.554 -0.066 0.000 3.228 130 T HA 0.269 4.621 4.350 0.003 0.000 0.278 130 T C 0.870 175.542 174.700 -0.047 0.000 1.014 130 T CA -0.167 61.893 62.100 -0.067 0.000 0.904 130 T CB 0.153 68.983 68.868 -0.063 0.000 1.110 130 T HN 0.132 nan 8.240 nan 0.000 0.541 131 V N 0.424 120.315 119.914 -0.039 0.000 3.054 131 V HA 0.186 4.308 4.120 0.003 0.000 0.227 131 V C 1.049 177.135 176.094 -0.014 0.000 1.252 131 V CA 0.353 62.639 62.300 -0.023 0.000 1.279 131 V CB -0.198 31.614 31.823 -0.019 0.000 1.118 131 V HN 0.469 nan 8.190 nan 0.000 0.504 132 T N 4.140 118.686 114.554 -0.014 0.000 2.822 132 T HA 0.106 4.458 4.350 0.003 0.000 0.288 132 T C -2.380 172.321 174.700 0.002 0.000 0.991 132 T CA -0.227 61.872 62.100 -0.001 0.000 1.176 132 T CB 0.331 69.197 68.868 -0.002 0.000 0.951 132 T HN 0.196 nan 8.240 nan 0.000 0.526 133 P HA 0.182 nan 4.420 nan 0.000 0.266 133 P C -0.166 177.135 177.300 0.001 0.000 1.195 133 P CA -0.153 62.961 63.100 0.023 0.000 0.768 133 P CB 0.413 32.169 31.700 0.094 0.000 0.838 134 I N 2.118 122.671 120.570 -0.029 0.000 2.385 134 I HA 0.176 4.348 4.170 0.003 0.000 0.294 134 I C 0.869 176.968 176.117 -0.029 0.000 0.988 134 I CA -0.509 60.779 61.300 -0.020 0.000 1.265 134 I CB 0.991 38.970 38.000 -0.034 0.000 1.388 134 I HN 0.333 nan 8.210 nan 0.000 0.480 135 D N 4.182 124.580 120.400 -0.004 0.000 2.382 135 D HA 0.256 4.897 4.640 0.003 0.000 0.240 135 D C -0.380 175.884 176.300 -0.061 0.000 1.146 135 D CA 0.302 54.284 54.000 -0.030 0.000 0.897 135 D CB 0.846 41.642 40.800 -0.006 0.000 1.197 135 D HN 0.640 nan 8.370 nan 0.000 0.432 136 T N -1.219 113.269 114.554 -0.111 0.000 2.883 136 T HA 0.577 4.929 4.350 0.003 0.000 0.301 136 T C -0.587 173.956 174.700 -0.262 0.000 1.158 136 T CA -0.990 61.002 62.100 -0.179 0.000 1.007 136 T CB 1.506 70.295 68.868 -0.131 0.000 1.186 136 T HN 0.222 nan 8.240 nan 0.000 0.499 137 T N 2.148 116.391 114.554 -0.520 0.000 2.824 137 T HA 0.618 4.970 4.350 0.003 0.000 0.280 137 T C -0.475 173.974 174.700 -0.418 0.000 0.995 137 T CA -0.624 61.157 62.100 -0.532 0.000 1.009 137 T CB 0.834 69.208 68.868 -0.824 0.000 0.955 137 T HN 0.739 nan 8.240 nan 0.000 0.452 138 I N 4.164 124.654 120.570 -0.135 0.000 2.378 138 I HA 0.521 4.693 4.170 0.003 0.000 0.291 138 I C -1.015 175.149 176.117 0.078 0.000 0.992 138 I CA -0.793 60.520 61.300 0.022 0.000 1.154 138 I CB 0.688 38.741 38.000 0.088 0.000 1.315 138 I HN 0.405 nan 8.210 nan 0.000 0.448 139 M N 6.127 125.825 119.600 0.164 0.000 2.644 139 M HA 0.547 5.029 4.480 0.003 0.000 0.304 139 M C -0.543 175.831 176.300 0.123 0.000 1.215 139 M CA -0.640 54.756 55.300 0.159 0.000 0.871 139 M CB 1.857 34.606 32.600 0.249 0.000 1.740 139 M HN 0.592 nan 8.290 nan 0.000 0.464 140 A N 1.904 124.775 122.820 0.085 0.000 2.301 140 A HA 0.556 4.877 4.320 0.003 0.000 0.298 140 A C -0.213 177.413 177.584 0.069 0.000 1.185 140 A CA -0.560 51.516 52.037 0.065 0.000 0.830 140 A CB 0.424 19.449 19.000 0.041 0.000 1.112 140 A HN 0.749 nan 8.150 nan 0.000 0.508 141 K N 1.752 122.194 120.400 0.070 0.000 2.218 141 K HA 0.165 4.487 4.320 0.003 0.000 0.276 141 K C -0.651 175.968 176.600 0.031 0.000 1.022 141 K CA -0.056 56.262 56.287 0.052 0.000 0.946 141 K CB 0.818 33.355 32.500 0.061 0.000 1.000 141 K HN 0.758 nan 8.250 nan 0.000 0.468 142 N N 2.774 121.468 118.700 -0.009 0.000 2.801 142 N HA 0.083 4.824 4.740 0.003 0.000 0.235 142 N C -1.212 174.201 175.510 -0.162 0.000 1.069 142 N CA -0.261 52.754 53.050 -0.059 0.000 0.946 142 N CB 0.810 39.271 38.487 -0.043 0.000 1.212 142 N HN 0.388 nan 8.380 nan 0.000 0.509 143 E N 0.787 120.876 120.200 -0.185 0.000 2.227 143 E HA 0.411 4.763 4.350 0.003 0.000 0.268 143 E C -0.675 175.521 176.600 -0.672 0.000 0.907 143 E CA -0.945 55.221 56.400 -0.390 0.000 0.786 143 E CB 2.517 32.043 29.700 -0.291 0.000 1.191 143 E HN 0.055 nan 8.360 nan 0.000 0.411 144 V N 3.220 122.584 119.914 -0.916 0.000 2.509 144 V HA 0.427 4.549 4.120 0.003 0.000 0.284 144 V C -0.685 174.708 176.094 -1.167 0.000 1.047 144 V CA -0.055 61.677 62.300 -0.947 0.000 0.952 144 V CB 0.113 31.460 31.823 -0.793 0.000 0.988 144 V HN 0.516 nan 8.190 nan 0.000 0.469 145 F N 2.087 121.673 119.950 -0.607 0.000 2.726 145 F HA 0.652 5.181 4.527 0.003 0.000 0.324 145 F C -0.091 175.511 175.800 -0.330 0.000 1.140 145 F CA -0.774 56.941 58.000 -0.474 0.000 0.964 145 F CB 1.411 40.091 39.000 -0.533 0.000 1.399 145 F HN 0.533 nan 8.300 nan 0.000 0.491 146 C N 2.610 122.018 119.300 0.181 0.000 2.455 146 C HA 0.814 5.276 4.460 0.003 0.000 0.320 146 C C -0.250 174.949 174.990 0.348 0.000 1.226 146 C CA -0.730 58.433 59.018 0.241 0.000 1.569 146 C CB 0.074 27.899 27.740 0.141 0.000 2.200 146 C HN 0.772 nan 8.230 nan 0.000 0.491 147 V N 4.404 124.537 119.914 0.365 0.000 3.032 147 V HA 0.372 4.494 4.120 0.003 0.000 0.307 147 V C -0.224 175.944 176.094 0.123 0.000 1.097 147 V CA 0.449 62.879 62.300 0.215 0.000 1.191 147 V CB 0.862 32.736 31.823 0.085 0.000 0.964 147 V HN 0.977 nan 8.190 nan 0.000 0.494 148 Q N 3.107 122.948 119.800 0.069 0.000 3.429 148 Q HA 0.535 4.877 4.340 0.003 0.000 0.237 148 Q C -2.006 174.001 176.000 0.012 0.000 0.932 148 Q CA -0.967 54.859 55.803 0.039 0.000 0.731 148 Q CB 0.219 28.977 28.738 0.033 0.000 1.383 148 Q HN 0.990 nan 8.270 nan 0.000 0.446 155 K N 1.969 122.391 120.400 0.036 0.000 2.123 155 K HA 0.568 4.890 4.320 0.003 0.000 0.259 155 K C -2.353 174.265 176.600 0.030 0.000 0.960 155 K CA -1.775 54.495 56.287 -0.028 0.000 0.872 155 K CB 1.711 34.107 32.500 -0.173 0.000 1.079 155 K HN 0.183 nan 8.250 nan 0.000 0.440 156 P HA 0.019 nan 4.420 nan 0.000 0.272 156 P C -0.473 176.855 177.300 0.047 0.000 1.223 156 P CA -0.329 62.785 63.100 0.024 0.000 0.784 156 P CB 0.864 32.562 31.700 -0.003 0.000 0.923 157 A N 4.018 126.880 122.820 0.069 0.000 2.520 157 A HA 0.074 4.395 4.320 0.003 0.000 0.235 157 A C 0.685 178.310 177.584 0.068 0.000 1.065 157 A CA 0.022 52.111 52.037 0.087 0.000 0.764 157 A CB -0.241 18.803 19.000 0.072 0.000 1.002 157 A HN 0.501 nan 8.150 nan 0.000 0.502 158 R N 0.302 120.859 120.500 0.094 0.000 2.528 158 R HA 0.463 4.805 4.340 0.003 0.000 0.271 158 R C -1.013 175.340 176.300 0.088 0.000 1.056 158 R CA -0.742 55.414 56.100 0.093 0.000 1.117 158 R CB 0.391 30.763 30.300 0.120 0.000 1.085 158 R HN 0.490 nan 8.270 nan 0.000 0.530 159 L N 1.998 123.277 121.223 0.093 0.000 2.334 159 L HA 0.515 4.857 4.340 0.003 0.000 0.275 159 L C -0.045 176.912 176.870 0.146 0.000 1.036 159 L CA -0.331 54.570 54.840 0.101 0.000 0.807 159 L CB 1.196 43.299 42.059 0.073 0.000 1.231 159 L HN 0.534 nan 8.230 nan 0.000 0.438 160 I N 1.821 122.497 120.570 0.176 0.000 2.545 160 I HA 0.598 4.769 4.170 0.003 0.000 0.292 160 I C -1.371 174.932 176.117 0.311 0.000 1.040 160 I CA -0.613 60.828 61.300 0.234 0.000 1.068 160 I CB 1.896 40.022 38.000 0.210 0.000 1.251 160 I HN 0.210 nan 8.210 nan 0.000 0.424 161 V N 8.139 128.241 119.914 0.313 0.000 2.483 161 V HA 0.560 4.681 4.120 0.003 0.000 0.297 161 V C -0.853 175.434 176.094 0.320 0.000 1.027 161 V CA -0.463 61.978 62.300 0.236 0.000 0.855 161 V CB 1.336 33.267 31.823 0.179 0.000 0.995 161 V HN 0.596 nan 8.190 nan 0.000 0.424 162 F N 4.814 124.810 119.950 0.078 0.000 2.631 162 F HA 0.945 5.473 4.527 0.003 0.000 0.308 162 F C -3.120 172.720 175.800 0.065 0.000 1.097 162 F CA -2.702 55.344 58.000 0.078 0.000 0.952 162 F CB 1.674 40.716 39.000 0.070 0.000 1.307 162 F HN 0.298 nan 8.300 nan 0.000 0.450 163 P HA 0.204 nan 4.420 nan 0.000 0.281 163 P C -1.118 176.285 177.300 0.170 0.000 1.281 163 P CA -0.162 62.992 63.100 0.089 0.000 0.811 163 P CB 1.443 33.213 31.700 0.117 0.000 1.154 164 D N -0.613 119.870 120.400 0.139 0.000 2.400 164 D HA -0.054 4.587 4.640 0.003 0.000 0.238 164 D C 1.390 177.818 176.300 0.213 0.000 1.157 164 D CA -0.265 53.843 54.000 0.180 0.000 0.889 164 D CB 0.300 41.255 40.800 0.258 0.000 1.199 164 D HN 0.113 nan 8.370 nan 0.000 0.436 165 L N 3.385 124.712 121.223 0.172 0.000 2.051 165 L HA -0.056 4.286 4.340 0.003 0.000 0.214 165 L C 2.023 179.031 176.870 0.230 0.000 1.076 165 L CA 2.643 57.576 54.840 0.155 0.000 0.758 165 L CB -1.096 40.997 42.059 0.057 0.000 0.890 165 L HN 0.657 nan 8.230 nan 0.000 0.433 166 G N -1.172 107.833 108.800 0.341 0.000 2.446 166 G HA2 -0.224 3.738 3.960 0.003 0.000 0.217 166 G HA3 -0.224 3.738 3.960 0.003 0.000 0.217 166 G C 1.523 176.545 174.900 0.203 0.000 1.168 166 G CA 1.182 46.504 45.100 0.369 0.000 0.771 166 G HN 0.367 nan 8.290 nan 0.000 0.551 167 V N 0.826 120.855 119.914 0.192 0.000 2.343 167 V HA -0.174 3.947 4.120 0.003 0.000 0.247 167 V C 2.922 179.106 176.094 0.150 0.000 1.051 167 V CA 1.961 64.346 62.300 0.142 0.000 1.036 167 V CB -0.494 31.402 31.823 0.122 0.000 0.654 167 V HN 0.332 nan 8.190 nan 0.000 0.451 168 R N -0.273 120.323 120.500 0.160 0.000 2.105 168 R HA -0.125 4.217 4.340 0.003 0.000 0.239 168 R C 2.240 178.608 176.300 0.113 0.000 1.135 168 R CA 1.450 57.636 56.100 0.144 0.000 0.967 168 R CB -0.645 29.735 30.300 0.132 0.000 0.861 168 R HN 0.424 nan 8.270 nan 0.000 0.442 169 V N 0.428 120.403 119.914 0.103 0.000 2.427 169 V HA -0.284 3.837 4.120 0.003 0.000 0.248 169 V C 2.465 178.604 176.094 0.074 0.000 1.051 169 V CA 1.534 63.867 62.300 0.055 0.000 1.048 169 V CB -0.406 31.443 31.823 0.043 0.000 0.666 169 V HN 0.454 nan 8.190 nan 0.000 0.456 170 C N -0.189 119.198 119.300 0.145 0.000 2.440 170 C HA -0.117 4.345 4.460 0.003 0.000 0.278 170 C C 2.637 177.805 174.990 0.297 0.000 1.295 170 C CA 0.731 59.914 59.018 0.274 0.000 1.738 170 C CB -0.972 26.988 27.740 0.366 0.000 1.987 170 C HN 0.620 nan 8.230 nan 0.000 0.492 171 E N 0.894 121.223 120.200 0.216 0.000 2.085 171 E HA -0.219 4.133 4.350 0.003 0.000 0.194 171 E C 2.143 178.868 176.600 0.208 0.000 0.994 171 E CA 1.160 57.697 56.400 0.228 0.000 0.801 171 E CB -0.130 29.713 29.700 0.238 0.000 0.743 171 E HN 0.637 nan 8.360 nan 0.000 0.453 172 K N 0.354 120.844 120.400 0.149 0.000 2.026 172 K HA -0.111 4.211 4.320 0.003 0.000 0.208 172 K C 2.219 178.887 176.600 0.113 0.000 1.048 172 K CA 1.383 57.740 56.287 0.116 0.000 0.929 172 K CB -0.125 32.358 32.500 -0.030 0.000 0.713 172 K HN 0.115 nan 8.250 nan 0.000 0.439 173 M N 0.262 119.894 119.600 0.054 0.000 2.108 173 M HA -0.177 4.304 4.480 0.003 0.000 0.261 173 M C 2.430 178.793 176.300 0.105 0.000 1.066 173 M CA 1.761 57.043 55.300 -0.030 0.000 1.107 173 M CB -0.331 32.087 32.600 -0.303 0.000 1.356 173 M HN 0.239 nan 8.290 nan 0.000 0.406 174 A N -0.474 122.519 122.820 0.289 0.000 1.930 174 A HA 0.046 4.368 4.320 0.003 0.000 0.215 174 A C 1.829 179.520 177.584 0.178 0.000 1.176 174 A CA 1.095 53.335 52.037 0.338 0.000 0.632 174 A CB -0.206 19.035 19.000 0.402 0.000 0.819 174 A HN 0.493 nan 8.150 nan 0.000 0.445 175 L N -2.887 118.425 121.223 0.149 0.000 2.966 175 L HA 0.190 4.531 4.340 0.003 0.000 0.262 175 L C 1.850 178.756 176.870 0.060 0.000 1.165 175 L CA -0.013 54.855 54.840 0.046 0.000 0.978 175 L CB 0.035 42.089 42.059 -0.009 0.000 1.337 175 L HN 0.432 nan 8.230 nan 0.000 0.563 176 Y N 1.608 121.925 120.300 0.027 0.000 2.128 176 Y HA -0.341 4.211 4.550 0.003 0.000 0.284 176 Y C 2.180 178.110 175.900 0.049 0.000 1.154 176 Y CA 2.262 60.389 58.100 0.045 0.000 1.149 176 Y CB 0.043 38.514 38.460 0.019 0.000 0.976 176 Y HN 0.243 nan 8.280 nan 0.000 0.505 177 D N -0.902 119.496 120.400 -0.003 0.000 2.117 177 D HA -0.158 4.484 4.640 0.003 0.000 0.198 177 D C 2.211 178.435 176.300 -0.127 0.000 0.982 177 D CA 1.396 55.347 54.000 -0.081 0.000 0.828 177 D CB -0.196 40.617 40.800 0.021 0.000 0.967 177 D HN 0.240 nan 8.370 nan 0.000 0.464 178 V N 0.498 120.349 119.914 -0.106 0.000 2.237 178 V HA -0.233 3.889 4.120 0.003 0.000 0.245 178 V C 2.676 178.658 176.094 -0.186 0.000 1.046 178 V CA 1.867 64.084 62.300 -0.138 0.000 1.007 178 V CB -0.756 30.953 31.823 -0.190 0.000 0.638 178 V HN 0.351 nan 8.190 nan 0.000 0.445 179 V N -2.234 117.551 119.914 -0.215 0.000 3.078 179 V HA -0.093 4.029 4.120 0.003 0.000 0.265 179 V C 1.891 177.852 176.094 -0.222 0.000 1.122 179 V CA 2.085 64.264 62.300 -0.200 0.000 1.141 179 V CB -0.455 31.282 31.823 -0.145 0.000 0.735 179 V HN 0.463 nan 8.190 nan 0.000 0.498 180 S N -0.157 115.396 115.700 -0.245 0.000 2.524 180 S HA 0.091 4.563 4.470 0.003 0.000 0.216 180 S C 1.694 176.194 174.600 -0.166 0.000 0.987 180 S CA 1.001 59.070 58.200 -0.219 0.000 0.909 180 S CB 0.287 63.286 63.200 -0.335 0.000 0.781 180 S HN 0.778 nan 8.310 nan 0.000 0.521 181 T N 1.200 115.651 114.554 -0.172 0.000 3.028 181 T HA 0.283 4.635 4.350 0.003 0.000 0.250 181 T C 1.589 176.185 174.700 -0.173 0.000 0.979 181 T CA -0.224 61.790 62.100 -0.143 0.000 1.004 181 T CB -0.138 68.671 68.868 -0.097 0.000 1.120 181 T HN 0.167 nan 8.240 nan 0.000 0.482 182 L N 2.098 123.220 121.223 -0.167 0.000 1.994 182 L HA 0.000 4.342 4.340 0.003 0.000 0.208 182 L C -1.050 175.664 176.870 -0.260 0.000 1.071 182 L CA 1.650 56.397 54.840 -0.155 0.000 0.745 182 L CB -0.874 41.147 42.059 -0.064 0.000 0.892 182 L HN 0.104 nan 8.230 nan 0.000 0.431 183 P HA -0.259 nan 4.420 nan 0.000 0.216 183 P C 1.370 178.230 177.300 -0.733 0.000 1.157 183 P CA 1.517 64.207 63.100 -0.683 0.000 0.880 183 P CB -0.169 30.828 31.700 -1.171 0.000 0.791 184 Q N -0.215 119.167 119.800 -0.696 0.000 2.170 184 Q HA -0.107 4.234 4.340 0.003 0.000 0.203 184 Q C 1.966 177.826 176.000 -0.234 0.000 0.976 184 Q CA 1.428 57.012 55.803 -0.366 0.000 0.858 184 Q CB -0.655 27.967 28.738 -0.194 0.000 0.907 184 Q HN 0.099 nan 8.270 nan 0.000 0.433 185 V N -0.097 119.688 119.914 -0.214 0.000 2.379 185 V HA -0.188 3.933 4.120 0.003 0.000 0.245 185 V C 2.479 178.483 176.094 -0.149 0.000 1.044 185 V CA 1.288 63.502 62.300 -0.144 0.000 1.036 185 V CB -0.375 31.381 31.823 -0.112 0.000 0.664 185 V HN 0.115 nan 8.190 nan 0.000 0.453 186 V N -0.541 119.255 119.914 -0.198 0.000 2.379 186 V HA -0.188 3.934 4.120 0.003 0.000 0.245 186 V C 2.035 177.962 176.094 -0.279 0.000 1.044 186 V CA 2.085 64.265 62.300 -0.201 0.000 1.036 186 V CB -0.462 31.233 31.823 -0.213 0.000 0.664 186 V HN 0.476 nan 8.190 nan 0.000 0.453 187 M N -0.972 118.395 119.600 -0.389 0.000 2.371 187 M HA 0.366 4.847 4.480 0.003 0.000 0.246 187 M C 1.460 177.640 176.300 -0.199 0.000 1.103 187 M CA 0.680 55.676 55.300 -0.507 0.000 1.010 187 M CB 0.354 32.511 32.600 -0.737 0.000 1.457 187 M HN 0.443 nan 8.290 nan 0.000 0.486 188 G N 1.746 110.462 108.800 -0.141 0.000 2.634 188 G HA2 -0.410 3.552 3.960 0.003 0.000 0.309 188 G HA3 -0.410 3.552 3.960 0.003 0.000 0.309 188 G C 0.886 175.741 174.900 -0.076 0.000 1.265 188 G CA 0.983 46.038 45.100 -0.075 0.000 0.998 188 G HN 0.551 nan 8.290 nan 0.000 0.551 189 S N -0.724 114.948 115.700 -0.047 0.000 2.500 189 S HA 0.032 4.503 4.470 0.003 0.000 0.239 189 S C 2.172 176.667 174.600 -0.175 0.000 0.989 189 S CA 2.040 60.151 58.200 -0.149 0.000 0.951 189 S CB -0.153 63.004 63.200 -0.071 0.000 0.759 189 S HN 1.000 nan 8.310 nan 0.000 0.523 190 S N 0.056 115.767 115.700 0.019 0.000 2.522 190 S HA 0.144 4.616 4.470 0.003 0.000 0.227 190 S C 0.190 174.831 174.600 0.069 0.000 0.986 190 S CA -0.190 58.085 58.200 0.124 0.000 0.929 190 S CB -0.376 63.007 63.200 0.305 0.000 0.769 190 S HN 0.708 nan 8.310 nan 0.000 0.529 191 Y N 3.007 123.202 120.300 -0.175 0.000 2.584 191 Y HA 0.457 5.009 4.550 0.003 0.000 0.351 191 Y C 1.273 177.008 175.900 -0.274 0.000 1.030 191 Y CA -1.396 56.572 58.100 -0.220 0.000 1.332 191 Y CB -0.007 38.310 38.460 -0.238 0.000 1.148 191 Y HN 0.068 nan 8.280 nan 0.000 0.528 192 G N 4.488 112.921 108.800 -0.612 0.000 2.448 192 G HA2 -0.268 3.693 3.960 0.003 0.000 0.219 192 G HA3 -0.268 3.693 3.960 0.003 0.000 0.219 192 G C 1.033 175.451 174.900 -0.803 0.000 1.127 192 G CA 0.292 45.039 45.100 -0.589 0.000 0.766 192 G HN 0.646 nan 8.290 nan 0.000 0.552 193 F N 1.272 120.582 119.950 -1.068 0.000 2.771 193 F HA 0.054 4.583 4.527 0.003 0.000 0.299 193 F C 2.767 178.364 175.800 -0.338 0.000 1.177 193 F CA 0.803 58.286 58.000 -0.861 0.000 1.450 193 F CB -0.083 38.357 39.000 -0.932 0.000 1.114 193 F HN 0.387 nan 8.300 nan 0.000 0.587 194 Q N -0.839 118.750 119.800 -0.351 0.000 2.451 194 Q HA -0.046 4.296 4.340 0.003 0.000 0.206 194 Q C -0.626 175.237 176.000 -0.228 0.000 0.947 194 Q CA 0.650 56.319 55.803 -0.223 0.000 0.937 194 Q CB -0.250 28.243 28.738 -0.408 0.000 1.025 194 Q HN 0.301 nan 8.270 nan 0.000 0.511 195 Y N 1.798 122.112 120.300 0.023 0.000 2.360 195 Y HA 0.332 4.884 4.550 0.003 0.000 0.337 195 Y C 0.550 176.349 175.900 -0.167 0.000 1.039 195 Y CA -1.186 56.882 58.100 -0.054 0.000 1.109 195 Y CB 1.527 39.912 38.460 -0.126 0.000 1.201 195 Y HN 0.091 nan 8.280 nan 0.000 0.458 196 S N 2.488 117.983 115.700 -0.342 0.000 2.634 196 S HA 0.274 4.745 4.470 0.003 0.000 0.261 196 S C -2.019 172.264 174.600 -0.527 0.000 1.271 196 S CA -1.057 56.412 58.200 -1.219 0.000 0.985 196 S CB 1.285 63.849 63.200 -1.060 0.000 0.968 196 S HN 0.415 nan 8.310 nan 0.000 0.568 197 P HA -0.016 nan 4.420 nan 0.000 0.215 197 P C 1.741 178.974 177.300 -0.113 0.000 1.157 197 P CA 1.787 64.769 63.100 -0.196 0.000 0.874 197 P CB -0.540 31.090 31.700 -0.116 0.000 0.790 198 G N -0.453 108.266 108.800 -0.135 0.000 2.422 198 G HA2 -0.272 3.690 3.960 0.003 0.000 0.218 198 G HA3 -0.272 3.690 3.960 0.003 0.000 0.218 198 G C 1.509 176.367 174.900 -0.071 0.000 1.146 198 G CA 0.595 45.663 45.100 -0.054 0.000 0.769 198 G HN 0.324 nan 8.290 nan 0.000 0.547 199 Q N -0.545 119.196 119.800 -0.098 0.000 2.167 199 Q HA 0.017 4.359 4.340 0.003 0.000 0.202 199 Q C 2.585 178.469 176.000 -0.194 0.000 0.970 199 Q CA 0.793 56.564 55.803 -0.053 0.000 0.855 199 Q CB -0.117 28.674 28.738 0.088 0.000 0.911 199 Q HN 0.458 nan 8.270 nan 0.000 0.438 200 R N 0.465 120.851 120.500 -0.191 0.000 2.075 200 R HA -0.123 4.219 4.340 0.003 0.000 0.232 200 R C 2.057 178.246 176.300 -0.185 0.000 1.126 200 R CA 1.132 57.064 56.100 -0.279 0.000 0.963 200 R CB -0.078 30.156 30.300 -0.111 0.000 0.858 200 R HN 0.094 nan 8.270 nan 0.000 0.435 201 V N 1.421 121.265 119.914 -0.117 0.000 2.295 201 V HA -0.239 3.883 4.120 0.003 0.000 0.246 201 V C 2.385 178.400 176.094 -0.131 0.000 1.049 201 V CA 2.237 64.474 62.300 -0.105 0.000 1.024 201 V CB -0.600 31.202 31.823 -0.035 0.000 0.648 201 V HN 0.497 nan 8.190 nan 0.000 0.447 202 E N -0.328 119.817 120.200 -0.092 0.000 2.058 202 E HA -0.291 4.061 4.350 0.003 0.000 0.194 202 E C 2.134 178.680 176.600 -0.090 0.000 0.997 202 E CA 1.824 58.179 56.400 -0.074 0.000 0.801 202 E CB -0.236 29.449 29.700 -0.024 0.000 0.746 202 E HN 0.540 nan 8.360 nan 0.000 0.450 203 F N 1.178 120.955 119.950 -0.287 0.000 2.134 203 F HA -0.130 4.399 4.527 0.003 0.000 0.299 203 F C 1.920 177.588 175.800 -0.221 0.000 1.097 203 F CA 1.267 59.085 58.000 -0.303 0.000 1.264 203 F CB -0.214 38.423 39.000 -0.605 0.000 1.001 203 F HN 0.010 nan 8.300 nan 0.000 0.479 204 L N -0.868 120.182 121.223 -0.289 0.000 2.027 204 L HA -0.212 4.129 4.340 0.003 0.000 0.206 204 L C 2.405 179.108 176.870 -0.278 0.000 1.074 204 L CA 1.099 55.753 54.840 -0.310 0.000 0.745 204 L CB -0.866 41.067 42.059 -0.209 0.000 0.898 204 L HN -0.023 nan 8.230 nan 0.000 0.433 205 V N 0.152 119.888 119.914 -0.297 0.000 2.295 205 V HA -0.282 3.839 4.120 0.003 0.000 0.246 205 V C 2.213 178.190 176.094 -0.195 0.000 1.049 205 V CA 1.898 63.997 62.300 -0.336 0.000 1.024 205 V CB -0.676 30.817 31.823 -0.549 0.000 0.648 205 V HN 0.491 nan 8.190 nan 0.000 0.447 206 N N -0.099 118.483 118.700 -0.197 0.000 2.188 206 N HA -0.118 4.624 4.740 0.003 0.000 0.184 206 N C 1.906 177.307 175.510 -0.182 0.000 1.018 206 N CA 1.791 54.753 53.050 -0.147 0.000 0.858 206 N CB -0.524 37.898 38.487 -0.109 0.000 0.989 206 N HN 0.455 nan 8.380 nan 0.000 0.426 207 T N 0.487 114.848 114.554 -0.321 0.000 2.746 207 T HA -0.135 4.217 4.350 0.003 0.000 0.267 207 T C 1.478 176.080 174.700 -0.164 0.000 1.039 207 T CA 0.609 62.504 62.100 -0.341 0.000 1.142 207 T CB -0.137 68.370 68.868 -0.600 0.000 0.866 207 T HN 0.430 nan 8.240 nan 0.000 0.444 208 W N 2.221 123.355 121.300 -0.276 0.000 2.381 208 W HA -0.048 4.613 4.660 0.002 0.000 0.301 208 W C 1.792 178.222 176.519 -0.147 0.000 1.205 208 W CA 1.051 58.277 57.345 -0.198 0.000 1.285 208 W CB -0.167 29.169 29.460 -0.208 0.000 1.133 208 W HN 0.243 nan 8.180 nan 0.000 0.521 209 K N 0.306 120.725 120.400 0.032 0.000 2.283 209 K HA -0.130 4.191 4.320 0.003 0.000 0.202 209 K C 2.125 178.673 176.600 -0.087 0.000 1.048 209 K CA 1.636 57.912 56.287 -0.017 0.000 0.948 209 K CB -0.261 32.239 32.500 -0.000 0.000 0.742 209 K HN 0.058 nan 8.250 nan 0.000 0.458 210 S N 0.473 116.104 115.700 -0.114 0.000 2.489 210 S HA 0.013 4.485 4.470 0.003 0.000 0.228 210 S C 0.570 175.089 174.600 -0.134 0.000 0.995 210 S CA 0.259 58.394 58.200 -0.108 0.000 0.934 210 S CB 0.063 63.202 63.200 -0.102 0.000 0.771 210 S HN -0.037 nan 8.310 nan 0.000 0.522 211 K N 1.947 122.224 120.400 -0.206 0.000 2.174 211 K HA 0.347 4.669 4.320 0.003 0.000 0.275 211 K C 0.642 177.124 176.600 -0.196 0.000 1.015 211 K CA -0.296 55.857 56.287 -0.224 0.000 0.933 211 K CB 1.002 33.297 32.500 -0.342 0.000 1.025 211 K HN 0.198 nan 8.250 nan 0.000 0.463 212 K N 0.866 121.180 120.400 -0.144 0.000 2.057 212 K HA -0.145 4.177 4.320 0.003 0.000 0.206 212 K C 0.578 177.102 176.600 -0.126 0.000 1.050 212 K CA 1.264 57.485 56.287 -0.110 0.000 0.935 212 K CB 0.033 32.486 32.500 -0.079 0.000 0.715 212 K HN 0.373 nan 8.250 nan 0.000 0.439 213 N N 0.243 118.851 118.700 -0.152 0.000 2.707 213 N HA 0.150 4.892 4.740 0.003 0.000 0.249 213 N C -2.981 172.403 175.510 -0.209 0.000 1.299 213 N CA -2.101 50.861 53.050 -0.147 0.000 0.769 213 N CB 1.068 39.500 38.487 -0.092 0.000 1.236 213 N HN -0.151 nan 8.380 nan 0.000 0.524 214 P HA 0.167 nan 4.420 nan 0.000 0.271 214 P C -0.630 176.409 177.300 -0.436 0.000 1.218 214 P CA -0.326 62.352 63.100 -0.702 0.000 0.780 214 P CB 1.097 31.804 31.700 -1.654 0.000 0.901 215 M N 1.872 121.265 119.600 -0.346 0.000 2.433 215 M HA 0.648 5.130 4.480 0.003 0.000 0.290 215 M C -1.365 174.919 176.300 -0.027 0.000 1.173 215 M CA -0.290 54.956 55.300 -0.090 0.000 0.905 215 M CB 2.424 35.052 32.600 0.048 0.000 1.692 215 M HN 0.621 nan 8.290 nan 0.000 0.462 216 G N 3.382 112.265 108.800 0.138 0.000 2.692 216 G HA2 0.834 4.795 3.960 0.003 0.000 0.291 216 G HA3 0.834 4.795 3.960 0.003 0.000 0.291 216 G C -2.058 172.951 174.900 0.181 0.000 1.423 216 G CA -0.621 44.588 45.100 0.181 0.000 0.843 216 G HN 0.866 nan 8.290 nan 0.000 0.486 217 F N -0.713 119.197 119.950 -0.067 0.000 2.693 217 F HA 0.820 5.348 4.527 0.002 0.000 0.309 217 F C -0.325 175.447 175.800 -0.047 0.000 1.129 217 F CA -1.363 56.589 58.000 -0.081 0.000 0.948 217 F CB 1.350 40.278 39.000 -0.119 0.000 1.315 217 F HN 0.707 nan 8.300 nan 0.000 0.447 218 S N 0.856 116.629 115.700 0.121 0.000 2.593 218 S HA 0.728 5.200 4.470 0.003 0.000 0.297 218 S C -1.732 173.044 174.600 0.293 0.000 1.112 218 S CA -0.622 57.621 58.200 0.071 0.000 1.043 218 S CB 1.883 65.107 63.200 0.040 0.000 1.054 218 S HN 0.946 nan 8.310 nan 0.000 0.516 219 Y N 1.355 121.741 120.300 0.143 0.000 2.338 219 Y HA 0.483 5.034 4.550 0.003 0.000 0.333 219 Y C -1.332 174.676 175.900 0.180 0.000 0.968 219 Y CA -0.755 57.492 58.100 0.245 0.000 1.123 219 Y CB 1.598 40.303 38.460 0.407 0.000 1.165 219 Y HN 0.913 nan 8.280 nan 0.000 0.452 220 D N 4.292 124.559 120.400 -0.221 0.000 2.414 220 D HA 0.280 4.921 4.640 0.003 0.000 0.232 220 D C -0.942 175.229 176.300 -0.215 0.000 1.070 220 D CA -0.167 53.762 54.000 -0.117 0.000 0.839 220 D CB 1.248 42.008 40.800 -0.067 0.000 1.079 220 D HN 0.444 nan 8.370 nan 0.000 0.521 221 T N 3.463 118.051 114.554 0.055 0.000 2.869 221 T HA 0.163 4.515 4.350 0.003 0.000 0.295 221 T C 0.421 175.210 174.700 0.149 0.000 0.987 221 T CA -0.485 61.718 62.100 0.172 0.000 1.109 221 T CB 0.698 69.888 68.868 0.536 0.000 0.932 221 T HN 0.343 nan 8.240 nan 0.000 0.518 222 R N 2.179 122.725 120.500 0.077 0.000 2.404 222 R HA 0.144 4.485 4.340 0.003 0.000 0.315 222 R C 0.226 176.626 176.300 0.166 0.000 1.032 222 R CA -0.244 55.896 56.100 0.067 0.000 0.992 222 R CB -0.618 29.664 30.300 -0.030 0.000 0.959 222 R HN 0.909 nan 8.270 nan 0.000 0.428 223 C N 6.658 126.088 119.300 0.217 0.000 3.112 223 C HA -0.189 4.273 4.460 0.003 0.000 0.265 223 C C 1.270 176.474 174.990 0.357 0.000 1.283 223 C CA 0.220 59.420 59.018 0.303 0.000 2.378 223 C CB -2.371 25.601 27.740 0.386 0.000 1.500 223 C HN 1.076 nan 8.230 nan 0.000 0.483 224 F N 1.928 121.998 119.950 0.199 0.000 2.063 224 F HA -0.146 4.383 4.527 0.003 0.000 0.298 224 F C 1.813 177.728 175.800 0.193 0.000 1.109 224 F CA 2.588 60.706 58.000 0.197 0.000 1.212 224 F CB -0.132 38.971 39.000 0.172 0.000 0.973 224 F HN 0.587 nan 8.300 nan 0.000 0.480 225 D N -0.351 120.287 120.400 0.396 0.000 2.149 225 D HA -0.191 4.451 4.640 0.003 0.000 0.194 225 D C 2.434 178.792 176.300 0.098 0.000 1.001 225 D CA 1.823 55.977 54.000 0.258 0.000 0.849 225 D CB -0.568 40.392 40.800 0.267 0.000 0.939 225 D HN 0.254 nan 8.370 nan 0.000 0.449 226 S N -0.725 115.050 115.700 0.124 0.000 2.453 226 S HA -0.099 4.373 4.470 0.003 0.000 0.231 226 S C 2.007 176.583 174.600 -0.039 0.000 1.005 226 S CA 1.339 59.514 58.200 -0.042 0.000 0.949 226 S CB -0.245 62.875 63.200 -0.135 0.000 0.774 226 S HN 0.541 nan 8.310 nan 0.000 0.510 227 T N -0.435 114.177 114.554 0.095 0.000 3.088 227 T HA 0.126 4.478 4.350 0.003 0.000 0.259 227 T C 0.621 175.259 174.700 -0.104 0.000 1.122 227 T CA 0.033 62.177 62.100 0.074 0.000 1.095 227 T CB -0.418 68.446 68.868 -0.007 0.000 0.930 227 T HN 0.037 nan 8.240 nan 0.000 0.508 228 V N 4.127 123.933 119.914 -0.180 0.000 2.479 228 V HA 0.282 4.403 4.120 0.003 0.000 0.281 228 V C 1.188 177.234 176.094 -0.080 0.000 1.031 228 V CA -0.213 62.001 62.300 -0.145 0.000 1.038 228 V CB 0.013 31.783 31.823 -0.087 0.000 0.981 228 V HN 0.722 nan 8.190 nan 0.000 0.478 229 T N 1.271 115.793 114.554 -0.053 0.000 2.847 229 T HA 0.324 4.676 4.350 0.003 0.000 0.279 229 T C 0.973 175.658 174.700 -0.025 0.000 0.984 229 T CA -0.614 61.462 62.100 -0.041 0.000 0.988 229 T CB 1.243 70.094 68.868 -0.029 0.000 1.040 229 T HN 0.652 nan 8.240 nan 0.000 0.528 230 E N 0.392 120.578 120.200 -0.024 0.000 2.110 230 E HA -0.166 4.186 4.350 0.003 0.000 0.193 230 E C 1.947 178.550 176.600 0.005 0.000 0.988 230 E CA 1.039 57.436 56.400 -0.005 0.000 0.804 230 E CB -0.213 29.483 29.700 -0.005 0.000 0.745 230 E HN 0.665 nan 8.360 nan 0.000 0.458 231 N N 0.883 119.582 118.700 -0.003 0.000 2.142 231 N HA -0.151 4.591 4.740 0.003 0.000 0.186 231 N C 1.338 176.859 175.510 0.018 0.000 1.023 231 N CA 1.266 54.319 53.050 0.004 0.000 0.852 231 N CB 0.044 38.525 38.487 -0.010 0.000 0.998 231 N HN 0.054 nan 8.380 nan 0.000 0.424 232 D N 0.116 120.527 120.400 0.017 0.000 2.123 232 D HA -0.127 4.515 4.640 0.003 0.000 0.196 232 D C 1.874 178.188 176.300 0.023 0.000 0.992 232 D CA 0.890 54.912 54.000 0.037 0.000 0.833 232 D CB -0.208 40.608 40.800 0.027 0.000 0.954 232 D HN 0.410 nan 8.370 nan 0.000 0.455 233 I N 0.538 121.121 120.570 0.023 0.000 2.394 233 I HA -0.172 4.000 4.170 0.003 0.000 0.251 233 I C 2.454 178.586 176.117 0.025 0.000 1.136 233 I CA 0.735 62.055 61.300 0.034 0.000 1.425 233 I CB -0.062 37.978 38.000 0.067 0.000 1.079 233 I HN -0.094 nan 8.210 nan 0.000 0.425 234 R N 0.088 120.602 120.500 0.022 0.000 2.119 234 R HA -0.034 4.308 4.340 0.003 0.000 0.222 234 R C 2.305 178.594 176.300 -0.019 0.000 1.088 234 R CA 0.849 56.958 56.100 0.015 0.000 0.984 234 R CB -0.231 30.080 30.300 0.018 0.000 0.884 234 R HN 0.235 nan 8.270 nan 0.000 0.447 235 V N 1.399 121.302 119.914 -0.019 0.000 2.427 235 V HA -0.208 3.913 4.120 0.003 0.000 0.248 235 V C 1.926 177.938 176.094 -0.136 0.000 1.051 235 V CA 1.703 63.980 62.300 -0.038 0.000 1.048 235 V CB -0.318 31.520 31.823 0.025 0.000 0.666 235 V HN 0.331 nan 8.190 nan 0.000 0.456 236 E N -0.269 119.820 120.200 -0.184 0.000 2.051 236 E HA -0.258 4.093 4.350 0.003 0.000 0.192 236 E C 2.321 178.475 176.600 -0.743 0.000 0.991 236 E CA 1.377 57.515 56.400 -0.436 0.000 0.799 236 E CB -0.155 29.340 29.700 -0.343 0.000 0.748 236 E HN 0.601 nan 8.360 nan 0.000 0.449 237 E N 0.611 120.592 120.200 -0.364 0.000 2.077 237 E HA -0.201 4.151 4.350 0.003 0.000 0.193 237 E C 2.175 178.714 176.600 -0.103 0.000 0.989 237 E CA 1.487 57.801 56.400 -0.142 0.000 0.800 237 E CB 0.021 29.764 29.700 0.072 0.000 0.746 237 E HN 0.224 nan 8.360 nan 0.000 0.452 238 S N 0.479 116.117 115.700 -0.102 0.000 2.383 238 S HA -0.158 4.313 4.470 0.003 0.000 0.229 238 S C 2.078 176.633 174.600 -0.075 0.000 1.030 238 S CA 1.099 59.265 58.200 -0.056 0.000 1.002 238 S CB -0.586 62.587 63.200 -0.045 0.000 0.829 238 S HN 0.302 nan 8.310 nan 0.000 0.467 239 I N 0.059 120.528 120.570 -0.169 0.000 2.252 239 I HA -0.131 4.040 4.170 0.003 0.000 0.245 239 I C 2.310 178.406 176.117 -0.034 0.000 1.102 239 I CA 1.320 62.535 61.300 -0.142 0.000 1.385 239 I CB -0.533 37.336 38.000 -0.219 0.000 1.064 239 I HN 0.233 nan 8.210 nan 0.000 0.414 240 Y N 1.046 121.343 120.300 -0.005 0.000 2.224 240 Y HA -0.192 4.360 4.550 0.003 0.000 0.289 240 Y C 2.622 178.526 175.900 0.007 0.000 1.146 240 Y CA 0.617 58.717 58.100 -0.000 0.000 1.182 240 Y CB -0.983 37.490 38.460 0.022 0.000 0.983 240 Y HN 0.233 nan 8.280 nan 0.000 0.524 241 Q N -1.310 118.583 119.800 0.154 0.000 2.500 241 Q HA -0.106 4.235 4.340 0.003 0.000 0.213 241 Q C 2.196 178.230 176.000 0.056 0.000 0.974 241 Q CA 0.760 56.619 55.803 0.093 0.000 0.918 241 Q CB -0.678 28.099 28.738 0.065 0.000 0.980 241 Q HN 0.505 nan 8.270 nan 0.000 0.505 242 C N 0.072 119.400 119.300 0.045 0.000 2.468 242 C HA 0.008 4.469 4.460 0.003 0.000 0.277 242 C C 1.559 176.565 174.990 0.026 0.000 1.400 242 C CA -0.680 58.352 59.018 0.023 0.000 1.770 242 C CB -0.571 27.172 27.740 0.005 0.000 1.905 242 C HN 0.420 nan 8.230 nan 0.000 0.519 243 C N 1.573 120.898 119.300 0.042 0.000 2.705 243 C HA 0.131 4.592 4.460 0.003 0.000 0.382 243 C C 0.561 175.569 174.990 0.029 0.000 1.322 243 C CA -0.263 58.774 59.018 0.032 0.000 2.290 243 C CB -0.150 27.613 27.740 0.039 0.000 2.650 243 C HN 0.488 nan 8.230 nan 0.000 0.695 244 D N 1.527 121.939 120.400 0.021 0.000 2.352 244 D HA 0.449 5.090 4.640 0.003 0.000 0.245 244 D C -0.712 175.604 176.300 0.027 0.000 1.224 244 D CA 0.307 54.320 54.000 0.020 0.000 0.879 244 D CB 0.091 40.899 40.800 0.014 0.000 1.057 244 D HN 0.386 nan 8.370 nan 0.000 0.491 245 L N 1.928 123.172 121.223 0.034 0.000 2.333 245 L HA 0.643 4.985 4.340 0.003 0.000 0.263 245 L C 0.395 177.293 176.870 0.045 0.000 1.014 245 L CA -1.353 53.513 54.840 0.044 0.000 0.820 245 L CB 1.820 43.912 42.059 0.055 0.000 1.352 245 L HN 0.297 nan 8.230 nan 0.000 0.421 246 A N 1.622 124.475 122.820 0.055 0.000 2.407 246 A HA 0.399 4.721 4.320 0.003 0.000 0.248 246 A C -1.811 175.812 177.584 0.064 0.000 1.082 246 A CA -0.974 51.097 52.037 0.057 0.000 0.785 246 A CB -0.001 19.040 19.000 0.068 0.000 1.020 246 A HN 0.633 nan 8.150 nan 0.000 0.489 247 P HA -0.212 nan 4.420 nan 0.000 0.216 247 P C 1.116 178.447 177.300 0.052 0.000 1.154 247 P CA 1.832 64.958 63.100 0.043 0.000 0.865 247 P CB 0.191 31.911 31.700 0.034 0.000 0.789 248 E N -1.021 119.233 120.200 0.091 0.000 2.106 248 E HA -0.132 4.220 4.350 0.003 0.000 0.192 248 E C 2.065 178.745 176.600 0.135 0.000 0.984 248 E CA 1.050 57.526 56.400 0.127 0.000 0.806 248 E CB -0.434 29.428 29.700 0.271 0.000 0.750 248 E HN 0.160 nan 8.360 nan 0.000 0.458 249 A N 1.329 124.256 122.820 0.177 0.000 1.930 249 A HA -0.164 4.158 4.320 0.003 0.000 0.217 249 A C 2.026 179.658 177.584 0.080 0.000 1.175 249 A CA 1.033 53.178 52.037 0.180 0.000 0.627 249 A CB -0.289 18.809 19.000 0.164 0.000 0.815 249 A HN 0.075 nan 8.150 nan 0.000 0.443 250 R N -1.080 119.454 120.500 0.057 0.000 2.081 250 R HA -0.176 4.165 4.340 0.003 0.000 0.235 250 R C 2.491 178.791 176.300 -0.000 0.000 1.131 250 R CA 1.699 57.822 56.100 0.038 0.000 0.960 250 R CB -0.254 30.066 30.300 0.034 0.000 0.856 250 R HN 0.647 nan 8.270 nan 0.000 0.436 251 Q N 0.653 120.431 119.800 -0.036 0.000 2.079 251 Q HA -0.071 4.271 4.340 0.003 0.000 0.200 251 Q C 1.918 177.822 176.000 -0.160 0.000 0.974 251 Q CA 1.958 57.707 55.803 -0.090 0.000 0.840 251 Q CB -0.197 28.475 28.738 -0.110 0.000 0.898 251 Q HN 0.318 nan 8.270 nan 0.000 0.430 252 A N 0.287 122.960 122.820 -0.244 0.000 1.902 252 A HA -0.130 4.192 4.320 0.003 0.000 0.217 252 A C 2.144 179.633 177.584 -0.158 0.000 1.181 252 A CA 1.483 53.297 52.037 -0.372 0.000 0.623 252 A CB -0.773 17.825 19.000 -0.670 0.000 0.818 252 A HN 0.488 nan 8.150 nan 0.000 0.443 253 I N -0.545 120.004 120.570 -0.035 0.000 2.226 253 I HA -0.277 3.894 4.170 0.003 0.000 0.245 253 I C 2.574 178.726 176.117 0.058 0.000 1.100 253 I CA 1.907 63.245 61.300 0.064 0.000 1.374 253 I CB -0.260 37.809 38.000 0.116 0.000 1.057 253 I HN 0.403 nan 8.210 nan 0.000 0.413 254 K N 0.500 120.909 120.400 0.015 0.000 2.026 254 K HA -0.200 4.121 4.320 0.003 0.000 0.208 254 K C 2.384 178.963 176.600 -0.035 0.000 1.048 254 K CA 1.773 58.065 56.287 0.010 0.000 0.929 254 K CB -0.098 32.398 32.500 -0.008 0.000 0.713 254 K HN 0.091 nan 8.250 nan 0.000 0.439 255 S N 0.725 116.371 115.700 -0.090 0.000 2.356 255 S HA -0.100 4.371 4.470 0.003 0.000 0.223 255 S C 1.949 176.456 174.600 -0.154 0.000 1.032 255 S CA 1.188 59.314 58.200 -0.124 0.000 1.005 255 S CB -0.265 62.829 63.200 -0.177 0.000 0.867 255 S HN 0.339 nan 8.310 nan 0.000 0.449 256 L N 0.664 121.766 121.223 -0.201 0.000 2.083 256 L HA -0.109 4.232 4.340 0.003 0.000 0.209 256 L C 2.761 179.350 176.870 -0.467 0.000 1.083 256 L CA 1.542 56.149 54.840 -0.388 0.000 0.752 256 L CB -0.978 40.816 42.059 -0.443 0.000 0.899 256 L HN 0.337 nan 8.230 nan 0.000 0.433 257 T N -0.952 113.517 114.554 -0.142 0.000 2.708 257 T HA -0.153 4.199 4.350 0.003 0.000 0.266 257 T C 1.780 176.489 174.700 0.015 0.000 1.037 257 T CA 1.247 63.395 62.100 0.080 0.000 1.146 257 T CB -0.084 68.894 68.868 0.184 0.000 0.865 257 T HN 0.291 nan 8.240 nan 0.000 0.435 258 E N 0.944 121.132 120.200 -0.020 0.000 2.152 258 E HA 0.021 4.373 4.350 0.003 0.000 0.192 258 E C 2.283 178.864 176.600 -0.032 0.000 0.983 258 E CA 0.783 57.175 56.400 -0.014 0.000 0.818 258 E CB -0.094 29.596 29.700 -0.017 0.000 0.758 258 E HN 0.461 nan 8.360 nan 0.000 0.467 259 R N -0.489 119.963 120.500 -0.079 0.000 2.237 259 R HA 0.135 4.476 4.340 0.003 0.000 0.195 259 R C 1.777 178.016 176.300 -0.102 0.000 0.956 259 R CA 0.255 56.308 56.100 -0.078 0.000 1.029 259 R CB 0.331 30.577 30.300 -0.090 0.000 0.972 259 R HN 0.039 nan 8.270 nan 0.000 0.493 260 L N -2.287 118.835 121.223 -0.168 0.000 2.691 260 L HA 0.190 4.532 4.340 0.003 0.000 0.185 260 L C 1.232 178.084 176.870 -0.029 0.000 1.081 260 L CA 0.656 55.400 54.840 -0.161 0.000 0.865 260 L CB -0.317 41.571 42.059 -0.284 0.000 1.370 260 L HN -0.150 nan 8.230 nan 0.000 0.488 261 Y N 0.371 120.688 120.300 0.028 0.000 2.165 261 Y HA -0.128 4.424 4.550 0.003 0.000 0.286 261 Y C 2.654 178.563 175.900 0.015 0.000 1.155 261 Y CA 1.639 59.764 58.100 0.041 0.000 1.164 261 Y CB -0.865 37.644 38.460 0.081 0.000 0.978 261 Y HN 0.224 nan 8.280 nan 0.000 0.513 262 I N -0.900 119.761 120.570 0.153 0.000 2.676 262 I HA 0.098 4.269 4.170 0.003 0.000 0.259 262 I C 1.009 177.136 176.117 0.017 0.000 1.194 262 I CA 1.110 62.456 61.300 0.076 0.000 1.473 262 I CB -0.192 37.844 38.000 0.059 0.000 1.096 262 I HN 0.280 nan 8.210 nan 0.000 0.443 263 G N -1.061 107.729 108.800 -0.017 0.000 2.337 263 G HA2 0.440 4.401 3.960 0.003 0.000 0.298 263 G HA3 0.440 4.401 3.960 0.003 0.000 0.298 263 G C -0.814 173.939 174.900 -0.245 0.000 1.335 263 G CA -0.291 44.732 45.100 -0.128 0.000 0.875 263 G HN 0.493 nan 8.290 nan 0.000 0.579 264 G N -0.928 107.472 108.800 -0.666 0.000 2.320 264 G HA2 0.725 4.686 3.960 0.003 0.000 0.297 264 G HA3 0.725 4.686 3.960 0.003 0.000 0.297 264 G C -3.456 170.773 174.900 -1.118 0.000 1.344 264 G CA 0.182 44.817 45.100 -0.774 0.000 0.851 264 G HN 0.843 nan 8.290 nan 0.000 0.567 265 P HA 0.451 nan 4.420 nan 0.000 0.275 265 P C -0.553 176.640 177.300 -0.178 0.000 1.228 265 P CA -0.161 62.790 63.100 -0.248 0.000 0.786 265 P CB 1.293 33.001 31.700 0.013 0.000 0.927 266 L N 2.298 123.461 121.223 -0.099 0.000 2.313 266 L HA 0.470 4.812 4.340 0.003 0.000 0.283 266 L C 0.488 177.354 176.870 -0.007 0.000 1.013 266 L CA -0.243 54.568 54.840 -0.049 0.000 0.816 266 L CB 1.662 43.717 42.059 -0.007 0.000 1.236 266 L HN 0.296 nan 8.230 nan 0.000 0.419 267 T N 1.342 115.876 114.554 -0.034 0.000 2.841 267 T HA 0.349 4.701 4.350 0.003 0.000 0.283 267 T C -0.294 174.389 174.700 -0.030 0.000 1.000 267 T CA -0.838 61.247 62.100 -0.025 0.000 0.977 267 T CB 1.620 70.457 68.868 -0.051 0.000 0.979 267 T HN 0.654 nan 8.240 nan 0.000 0.446 268 N N 0.445 119.145 118.700 -0.000 0.000 2.413 268 N HA 0.171 4.913 4.740 0.003 0.000 0.266 268 N C 1.444 176.946 175.510 -0.013 0.000 1.238 268 N CA -0.357 52.695 53.050 0.004 0.000 0.972 268 N CB 0.194 38.695 38.487 0.023 0.000 1.210 268 N HN 0.453 nan 8.380 nan 0.000 0.547 269 S N -0.842 114.859 115.700 0.001 0.000 2.440 269 S HA -0.166 4.305 4.470 0.003 0.000 0.238 269 S C 1.076 175.671 174.600 -0.008 0.000 1.010 269 S CA 0.841 59.042 58.200 0.001 0.000 0.972 269 S CB -0.477 62.737 63.200 0.024 0.000 0.774 269 S HN 0.636 nan 8.310 nan 0.000 0.501 270 K N 0.560 120.958 120.400 -0.005 0.000 2.426 270 K HA 0.239 4.561 4.320 0.003 0.000 0.193 270 K C 1.333 177.924 176.600 -0.014 0.000 1.028 270 K CA 0.420 56.703 56.287 -0.007 0.000 1.047 270 K CB -0.149 32.352 32.500 0.001 0.000 0.821 270 K HN 0.575 nan 8.250 nan 0.000 0.513 271 G N 1.688 110.476 108.800 -0.020 0.000 2.157 271 G HA2 -0.263 3.698 3.960 0.003 0.000 0.239 271 G HA3 -0.263 3.698 3.960 0.003 0.000 0.239 271 G C -0.308 174.587 174.900 -0.010 0.000 0.982 271 G CA -0.250 44.835 45.100 -0.026 0.000 0.650 271 G HN 0.329 nan 8.290 nan 0.000 0.527 272 Q N 0.212 120.014 119.800 0.002 0.000 2.259 272 Q HA 0.306 4.648 4.340 0.003 0.000 0.249 272 Q C 0.384 176.401 176.000 0.028 0.000 0.914 272 Q CA -0.478 55.335 55.803 0.016 0.000 0.904 272 Q CB 0.997 29.749 28.738 0.023 0.000 1.213 272 Q HN 0.427 nan 8.270 nan 0.000 0.428 273 N N 1.658 120.379 118.700 0.036 0.000 2.438 273 N HA -0.023 4.719 4.740 0.003 0.000 0.267 273 N C -0.148 175.410 175.510 0.079 0.000 1.222 273 N CA -0.401 52.679 53.050 0.050 0.000 0.930 273 N CB 0.476 38.994 38.487 0.051 0.000 1.083 273 N HN 0.596 nan 8.380 nan 0.000 0.476 274 C N 2.900 122.261 119.300 0.101 0.000 2.551 274 C HA 0.405 4.866 4.460 0.003 0.000 0.277 274 C C 1.221 176.352 174.990 0.236 0.000 1.349 274 C CA 0.556 59.685 59.018 0.186 0.000 1.750 274 C CB -0.888 26.988 27.740 0.227 0.000 2.058 274 C HN 0.965 nan 8.230 nan 0.000 0.518 275 G N -1.756 107.107 108.800 0.105 0.000 2.404 275 G HA2 0.347 4.309 3.960 0.003 0.000 0.253 275 G HA3 0.347 4.309 3.960 0.003 0.000 0.253 275 G C -2.230 172.670 174.900 -0.000 0.000 1.253 275 G CA -0.340 44.763 45.100 0.005 0.000 0.917 275 G HN 0.014 nan 8.290 nan 0.000 0.480 276 Y N 0.609 120.765 120.300 -0.240 0.000 2.470 276 Y HA 0.744 5.295 4.550 0.003 0.000 0.341 276 Y C -0.005 175.757 175.900 -0.231 0.000 1.021 276 Y CA -0.848 57.145 58.100 -0.178 0.000 1.025 276 Y CB 2.008 40.382 38.460 -0.144 0.000 1.266 276 Y HN 0.696 nan 8.280 nan 0.000 0.448 277 R N 4.655 124.876 120.500 -0.465 0.000 2.407 277 R HA 0.590 4.932 4.340 0.003 0.000 0.303 277 R C -0.787 175.306 176.300 -0.345 0.000 0.981 277 R CA -0.599 55.229 56.100 -0.453 0.000 0.905 277 R CB 0.953 31.052 30.300 -0.334 0.000 1.099 277 R HN 0.916 nan 8.270 nan 0.000 0.459 278 R N 3.323 123.607 120.500 -0.360 0.000 2.661 278 R HA 0.221 4.563 4.340 0.003 0.000 0.429 278 R C -0.803 175.356 176.300 -0.235 0.000 1.044 278 R CA -0.331 55.657 56.100 -0.187 0.000 1.065 278 R CB 0.471 30.714 30.300 -0.094 0.000 1.377 278 R HN 0.818 nan 8.270 nan 0.000 0.600 279 C N -2.062 117.058 119.300 -0.299 0.000 3.311 279 C HA 0.617 5.079 4.460 0.003 0.000 0.366 279 C C -0.342 174.580 174.990 -0.114 0.000 1.694 279 C CA -1.497 57.387 59.018 -0.223 0.000 1.244 279 C CB 1.202 28.745 27.740 -0.327 0.000 2.038 279 C HN 0.409 nan 8.230 nan 0.000 0.436 280 R N 1.221 121.703 120.500 -0.031 0.000 2.570 280 R HA 0.500 4.842 4.340 0.003 0.000 0.277 280 R C 0.019 176.374 176.300 0.091 0.000 1.039 280 R CA 0.924 57.058 56.100 0.057 0.000 1.065 280 R CB 0.040 30.411 30.300 0.118 0.000 0.964 280 R HN 1.232 nan 8.270 nan 0.000 0.428 281 A N 3.499 126.391 122.820 0.119 0.000 2.320 281 A HA 0.243 4.565 4.320 0.003 0.000 0.287 281 A C 0.967 178.656 177.584 0.175 0.000 1.181 281 A CA -0.002 52.128 52.037 0.156 0.000 0.831 281 A CB 0.551 19.654 19.000 0.171 0.000 1.102 281 A HN 1.021 nan 8.150 nan 0.000 0.513 282 S N 2.123 117.941 115.700 0.197 0.000 2.481 282 S HA 0.043 4.514 4.470 0.003 0.000 0.231 282 S C 1.084 175.790 174.600 0.176 0.000 0.996 282 S CA 0.831 59.142 58.200 0.186 0.000 0.942 282 S CB 0.005 63.321 63.200 0.193 0.000 0.768 282 S HN 1.252 nan 8.310 nan 0.000 0.520 283 G N 1.929 110.857 108.800 0.213 0.000 4.486 283 G HA2 0.531 4.492 3.960 0.003 0.000 0.306 283 G HA3 0.531 4.492 3.960 0.003 0.000 0.306 283 G C -0.199 174.837 174.900 0.227 0.000 1.331 283 G CA -0.125 45.105 45.100 0.216 0.000 1.113 283 G HN 0.594 nan 8.290 nan 0.000 0.594 284 V N -2.353 117.678 119.914 0.194 0.000 3.126 284 V HA 0.582 4.704 4.120 0.003 0.000 0.314 284 V C 1.309 177.495 176.094 0.153 0.000 1.138 284 V CA -0.966 61.466 62.300 0.220 0.000 1.034 284 V CB 1.663 33.682 31.823 0.326 0.000 1.075 284 V HN 0.086 nan 8.190 nan 0.000 0.442 285 L N 2.171 123.499 121.223 0.175 0.000 2.079 285 L HA -0.053 4.289 4.340 0.003 0.000 0.210 285 L C 2.379 179.284 176.870 0.058 0.000 1.081 285 L CA 3.122 58.049 54.840 0.146 0.000 0.752 285 L CB -0.700 41.470 42.059 0.185 0.000 0.896 285 L HN 1.104 nan 8.230 nan 0.000 0.433 286 T N -5.863 108.643 114.554 -0.080 0.000 3.148 286 T HA -0.034 4.318 4.350 0.003 0.000 0.253 286 T C 1.627 176.283 174.700 -0.072 0.000 1.134 286 T CA 0.826 62.828 62.100 -0.165 0.000 1.051 286 T CB -0.781 67.811 68.868 -0.460 0.000 0.959 286 T HN 0.295 nan 8.240 nan 0.000 0.525 287 T N 2.088 116.631 114.554 -0.018 0.000 2.635 287 T HA -0.184 4.167 4.350 0.003 0.000 0.267 287 T C 2.201 176.938 174.700 0.062 0.000 1.040 287 T CA 1.898 64.026 62.100 0.046 0.000 1.156 287 T CB -0.719 68.199 68.868 0.084 0.000 0.863 287 T HN 0.564 nan 8.240 nan 0.000 0.430 288 S N -0.331 115.382 115.700 0.021 0.000 2.345 288 S HA -0.146 4.325 4.470 0.003 0.000 0.220 288 S C 2.460 177.098 174.600 0.063 0.000 1.031 288 S CA 1.434 59.636 58.200 0.003 0.000 0.996 288 S CB -0.971 62.120 63.200 -0.181 0.000 0.882 288 S HN 0.676 nan 8.310 nan 0.000 0.445 289 C N 1.358 120.674 119.300 0.027 0.000 2.413 289 C HA 0.073 4.535 4.460 0.003 0.000 0.276 289 C C 2.843 177.908 174.990 0.126 0.000 1.236 289 C CA 1.201 60.259 59.018 0.068 0.000 1.735 289 C CB -1.831 25.918 27.740 0.015 0.000 2.031 289 C HN 0.718 nan 8.230 nan 0.000 0.474 290 G N 0.418 109.297 108.800 0.132 0.000 2.446 290 G HA2 -0.229 3.733 3.960 0.003 0.000 0.217 290 G HA3 -0.229 3.733 3.960 0.003 0.000 0.217 290 G C 1.526 176.531 174.900 0.176 0.000 1.168 290 G CA 1.133 46.318 45.100 0.140 0.000 0.771 290 G HN 0.595 nan 8.290 nan 0.000 0.551 291 N N 0.345 119.161 118.700 0.194 0.000 2.120 291 N HA -0.073 4.669 4.740 0.003 0.000 0.188 291 N C 2.435 178.033 175.510 0.145 0.000 1.024 291 N CA 1.625 54.821 53.050 0.244 0.000 0.852 291 N CB -0.713 37.838 38.487 0.107 0.000 1.003 291 N HN 0.254 nan 8.380 nan 0.000 0.424 292 T N 1.716 116.355 114.554 0.141 0.000 2.708 292 T HA -0.004 4.347 4.350 0.003 0.000 0.266 292 T C 2.134 176.941 174.700 0.178 0.000 1.037 292 T CA 0.658 62.855 62.100 0.160 0.000 1.146 292 T CB -0.310 68.720 68.868 0.271 0.000 0.865 292 T HN 0.123 nan 8.240 nan 0.000 0.435 293 L N 0.689 121.995 121.223 0.137 0.000 2.012 293 L HA -0.144 4.197 4.340 0.003 0.000 0.210 293 L C 2.964 179.940 176.870 0.177 0.000 1.073 293 L CA 1.358 56.259 54.840 0.103 0.000 0.748 293 L CB -1.099 40.975 42.059 0.023 0.000 0.891 293 L HN 0.295 nan 8.230 nan 0.000 0.431 294 T N -1.331 113.345 114.554 0.203 0.000 2.746 294 T HA -0.241 4.111 4.350 0.003 0.000 0.267 294 T C 2.007 176.909 174.700 0.336 0.000 1.039 294 T CA 1.493 63.743 62.100 0.251 0.000 1.142 294 T CB -0.483 68.559 68.868 0.289 0.000 0.866 294 T HN 0.474 nan 8.240 nan 0.000 0.444 295 C N 0.648 120.195 119.300 0.412 0.000 2.429 295 C HA -0.084 4.377 4.460 0.003 0.000 0.277 295 C C 2.397 177.548 174.990 0.268 0.000 1.262 295 C CA 0.507 59.751 59.018 0.376 0.000 1.733 295 C CB -1.421 26.415 27.740 0.159 0.000 2.010 295 C HN 0.652 nan 8.230 nan 0.000 0.483 296 Y N 1.018 121.387 120.300 0.115 0.000 2.181 296 Y HA -0.102 4.449 4.550 0.002 0.000 0.288 296 Y C 2.163 178.087 175.900 0.041 0.000 1.146 296 Y CA 2.078 60.223 58.100 0.075 0.000 1.164 296 Y CB -0.567 37.925 38.460 0.053 0.000 0.982 296 Y HN 0.339 nan 8.280 nan 0.000 0.515 297 L N 1.111 122.430 121.223 0.159 0.000 1.994 297 L HA -0.193 4.148 4.340 0.003 0.000 0.208 297 L C 2.126 178.924 176.870 -0.119 0.000 1.071 297 L CA 2.033 56.849 54.840 -0.041 0.000 0.745 297 L CB -0.906 41.108 42.059 -0.074 0.000 0.892 297 L HN 0.146 nan 8.230 nan 0.000 0.431 298 K N -0.393 120.012 120.400 0.009 0.000 2.057 298 K HA -0.099 4.223 4.320 0.003 0.000 0.207 298 K C 2.075 178.698 176.600 0.038 0.000 1.049 298 K CA 1.402 57.706 56.287 0.029 0.000 0.931 298 K CB -0.457 32.157 32.500 0.190 0.000 0.714 298 K HN 0.502 nan 8.250 nan 0.000 0.440 299 A N 1.172 124.006 122.820 0.022 0.000 1.898 299 A HA -0.126 4.195 4.320 0.003 0.000 0.216 299 A C 2.236 179.819 177.584 -0.001 0.000 1.181 299 A CA 1.694 53.747 52.037 0.028 0.000 0.620 299 A CB -0.478 18.611 19.000 0.148 0.000 0.819 299 A HN 0.166 nan 8.150 nan 0.000 0.442 300 S N 0.022 115.615 115.700 -0.179 0.000 2.368 300 S HA -0.062 4.410 4.470 0.003 0.000 0.225 300 S C 2.292 176.832 174.600 -0.100 0.000 1.030 300 S CA 1.224 59.286 58.200 -0.230 0.000 0.999 300 S CB -0.449 62.461 63.200 -0.483 0.000 0.844 300 S HN 0.790 nan 8.310 nan 0.000 0.459 301 A N 1.534 124.309 122.820 -0.076 0.000 1.898 301 A HA 0.162 4.484 4.320 0.003 0.000 0.216 301 A C 2.355 179.983 177.584 0.074 0.000 1.181 301 A CA 1.610 53.662 52.037 0.026 0.000 0.620 301 A CB -1.051 17.948 19.000 -0.001 0.000 0.819 301 A HN 0.511 nan 8.150 nan 0.000 0.442 302 A N -1.025 121.835 122.820 0.067 0.000 1.933 302 A HA -0.159 4.163 4.320 0.003 0.000 0.218 302 A C 2.258 179.826 177.584 -0.027 0.000 1.175 302 A CA 1.622 53.557 52.037 -0.169 0.000 0.628 302 A CB -1.247 17.250 19.000 -0.837 0.000 0.814 302 A HN 0.593 nan 8.150 nan 0.000 0.444 303 C N -0.893 118.500 119.300 0.154 0.000 2.425 303 C HA -0.086 4.375 4.460 0.003 0.000 0.277 303 C C 2.879 177.882 174.990 0.021 0.000 1.280 303 C CA 1.108 60.264 59.018 0.229 0.000 1.744 303 C CB -1.288 26.550 27.740 0.163 0.000 1.989 303 C HN 0.601 nan 8.230 nan 0.000 0.491 304 R N 0.952 121.376 120.500 -0.128 0.000 2.075 304 R HA -0.055 4.286 4.340 0.003 0.000 0.232 304 R C 2.421 178.408 176.300 -0.522 0.000 1.126 304 R CA 1.500 57.397 56.100 -0.340 0.000 0.963 304 R CB -0.511 29.503 30.300 -0.476 0.000 0.858 304 R HN 0.527 nan 8.270 nan 0.000 0.435 305 A N 1.306 123.827 122.820 -0.498 0.000 1.933 305 A HA -0.067 4.254 4.320 0.003 0.000 0.218 305 A C 2.217 179.756 177.584 -0.076 0.000 1.175 305 A CA 1.660 53.556 52.037 -0.234 0.000 0.628 305 A CB -0.413 18.549 19.000 -0.063 0.000 0.814 305 A HN 0.382 nan 8.150 nan 0.000 0.444 306 A N -1.465 121.337 122.820 -0.031 0.000 2.238 306 A HA 0.281 4.602 4.320 0.003 0.000 0.208 306 A C 1.035 178.631 177.584 0.020 0.000 1.177 306 A CA 0.920 52.976 52.037 0.032 0.000 0.804 306 A CB -0.372 18.709 19.000 0.135 0.000 0.823 306 A HN 0.491 nan 8.150 nan 0.000 0.482 307 K N -1.772 118.622 120.400 -0.010 0.000 3.069 307 K HA -0.156 4.166 4.320 0.003 0.000 0.267 307 K C -0.784 175.824 176.600 0.012 0.000 1.082 307 K CA 0.341 56.626 56.287 -0.003 0.000 0.782 307 K CB -1.962 30.543 32.500 0.008 0.000 1.230 307 K HN 0.341 nan 8.250 nan 0.000 0.488 308 L N 1.842 123.083 121.223 0.030 0.000 2.490 308 L HA 0.007 4.348 4.340 0.003 0.000 0.274 308 L C 1.111 177.991 176.870 0.016 0.000 1.201 308 L CA 0.742 55.603 54.840 0.035 0.000 0.869 308 L CB 0.374 42.477 42.059 0.073 0.000 1.123 308 L HN 0.205 nan 8.230 nan 0.000 0.484 309 Q N 1.673 121.476 119.800 0.005 0.000 2.241 309 Q HA 0.324 4.666 4.340 0.003 0.000 0.254 309 Q C -0.247 175.742 176.000 -0.018 0.000 0.917 309 Q CA -0.783 55.017 55.803 -0.006 0.000 0.919 309 Q CB 1.216 29.948 28.738 -0.010 0.000 1.237 309 Q HN 0.544 nan 8.270 nan 0.000 0.434 310 D N 0.941 121.330 120.400 -0.018 0.000 2.699 310 D HA -0.162 4.479 4.640 0.003 0.000 0.239 310 D C -1.290 174.989 176.300 -0.034 0.000 1.136 310 D CA 0.193 54.176 54.000 -0.028 0.000 0.668 310 D CB -1.102 39.671 40.800 -0.046 0.000 1.060 310 D HN 0.683 nan 8.370 nan 0.000 0.429 311 C N 0.835 120.125 119.300 -0.017 0.000 2.629 311 C HA 0.449 4.911 4.460 0.003 0.000 0.410 311 C C 0.827 175.810 174.990 -0.012 0.000 1.339 311 C CA 0.162 59.169 59.018 -0.019 0.000 1.810 311 C CB 0.081 27.820 27.740 -0.000 0.000 2.549 311 C HN 0.416 nan 8.230 nan 0.000 0.589 312 T N 6.830 121.365 114.554 -0.031 0.000 2.812 312 T HA 0.505 4.856 4.350 0.003 0.000 0.282 312 T C -0.343 174.364 174.700 0.012 0.000 0.990 312 T CA -0.255 61.851 62.100 0.010 0.000 0.960 312 T CB 0.954 69.796 68.868 -0.044 0.000 0.948 312 T HN 0.556 nan 8.240 nan 0.000 0.438 313 M N 3.069 122.725 119.600 0.094 0.000 2.644 313 M HA 0.669 5.151 4.480 0.003 0.000 0.316 313 M C -1.324 175.092 176.300 0.194 0.000 1.200 313 M CA -1.191 54.158 55.300 0.082 0.000 0.944 313 M CB 2.072 34.711 32.600 0.066 0.000 1.691 313 M HN 0.315 nan 8.290 nan 0.000 0.471 314 L N 2.343 123.640 121.223 0.124 0.000 2.439 314 L HA 0.684 5.025 4.340 0.003 0.000 0.270 314 L C -1.562 175.327 176.870 0.031 0.000 0.972 314 L CA -0.489 54.428 54.840 0.127 0.000 0.836 314 L CB 1.907 44.045 42.059 0.133 0.000 1.255 314 L HN 0.498 nan 8.230 nan 0.000 0.404 315 V N 4.242 124.158 119.914 0.004 0.000 2.588 315 V HA 0.600 4.722 4.120 0.003 0.000 0.304 315 V C -0.778 175.158 176.094 -0.264 0.000 1.042 315 V CA -0.636 61.638 62.300 -0.044 0.000 0.877 315 V CB 2.045 33.936 31.823 0.114 0.000 0.996 315 V HN 0.794 nan 8.190 nan 0.000 0.425 316 N N 3.399 121.901 118.700 -0.329 0.000 2.617 316 N HA 0.614 5.356 4.740 0.003 0.000 0.263 316 N C 0.515 175.908 175.510 -0.195 0.000 1.074 316 N CA 0.560 53.220 53.050 -0.651 0.000 0.841 316 N CB 1.737 39.753 38.487 -0.785 0.000 1.221 316 N HN 1.097 nan 8.380 nan 0.000 0.529 317 G N 2.275 111.098 108.800 0.038 0.000 2.622 317 G HA2 -0.395 3.567 3.960 0.003 0.000 0.307 317 G HA3 -0.395 3.567 3.960 0.003 0.000 0.307 317 G C 0.541 175.296 174.900 -0.242 0.000 1.226 317 G CA 0.709 45.817 45.100 0.014 0.000 0.997 317 G HN 0.623 nan 8.290 nan 0.000 0.551 318 D N 1.435 121.592 120.400 -0.404 0.000 2.349 318 D HA 0.091 4.733 4.640 0.003 0.000 0.224 318 D C -0.074 176.095 176.300 -0.217 0.000 1.029 318 D CA 0.690 54.278 54.000 -0.687 0.000 0.879 318 D CB -0.191 40.136 40.800 -0.790 0.000 0.906 318 D HN 0.346 nan 8.370 nan 0.000 0.528 319 D N 1.082 121.412 120.400 -0.118 0.000 2.277 319 D HA 0.330 4.971 4.640 0.003 0.000 0.249 319 D C -0.370 175.916 176.300 -0.023 0.000 1.134 319 D CA -0.364 53.612 54.000 -0.040 0.000 0.863 319 D CB 1.913 42.683 40.800 -0.051 0.000 1.143 319 D HN 0.144 nan 8.370 nan 0.000 0.458 320 L N 2.873 124.124 121.223 0.046 0.000 2.408 320 L HA 0.525 4.867 4.340 0.003 0.000 0.268 320 L C -1.508 175.353 176.870 -0.015 0.000 0.986 320 L CA -0.652 54.219 54.840 0.051 0.000 0.820 320 L CB 2.171 44.330 42.059 0.167 0.000 1.303 320 L HN 0.107 nan 8.230 nan 0.000 0.411 321 V N 5.097 124.957 119.914 -0.091 0.000 2.638 321 V HA 0.686 4.808 4.120 0.003 0.000 0.306 321 V C -0.888 175.026 176.094 -0.300 0.000 1.052 321 V CA -0.629 61.554 62.300 -0.195 0.000 0.885 321 V CB 2.182 33.934 31.823 -0.119 0.000 0.999 321 V HN 0.549 nan 8.190 nan 0.000 0.424 322 V N 5.972 125.525 119.914 -0.601 0.000 2.531 322 V HA 0.575 4.696 4.120 0.003 0.000 0.301 322 V C -0.518 175.320 176.094 -0.426 0.000 1.034 322 V CA -0.410 61.520 62.300 -0.617 0.000 0.865 322 V CB 1.955 33.111 31.823 -1.112 0.000 0.995 322 V HN 0.694 nan 8.190 nan 0.000 0.424 323 I N 5.072 125.520 120.570 -0.204 0.000 2.436 323 I HA 0.704 4.876 4.170 0.003 0.000 0.289 323 I C 0.001 176.044 176.117 -0.125 0.000 1.010 323 I CA -0.327 60.908 61.300 -0.107 0.000 1.098 323 I CB 1.709 39.684 38.000 -0.042 0.000 1.266 323 I HN 0.901 nan 8.210 nan 0.000 0.434 324 C N 2.367 121.594 119.300 -0.121 0.000 3.321 324 C HA 0.684 5.145 4.460 0.003 0.000 0.363 324 C C -0.404 174.508 174.990 -0.131 0.000 1.705 324 C CA -0.840 58.120 59.018 -0.097 0.000 1.298 324 C CB 1.408 29.133 27.740 -0.025 0.000 2.086 324 C HN 0.704 nan 8.230 nan 0.000 0.438 325 E N 1.286 121.433 120.200 -0.089 0.000 2.200 325 E HA 0.482 4.834 4.350 0.003 0.000 0.283 325 E C -0.033 176.541 176.600 -0.044 0.000 1.015 325 E CA 0.399 56.745 56.400 -0.091 0.000 0.819 325 E CB 1.251 30.909 29.700 -0.069 0.000 1.081 325 E HN 0.795 nan 8.360 nan 0.000 0.397 326 S N 2.887 118.567 115.700 -0.034 0.000 2.564 326 S HA 0.429 4.900 4.470 0.003 0.000 0.278 326 S C 0.296 174.900 174.600 0.006 0.000 1.333 326 S CA 0.152 58.372 58.200 0.034 0.000 1.048 326 S CB 0.728 63.986 63.200 0.097 0.000 0.900 326 S HN 0.576 nan 8.310 nan 0.000 0.505 327 A N 3.374 126.206 122.820 0.019 0.000 2.535 327 A HA 0.661 4.982 4.320 0.003 0.000 0.273 327 A C 0.836 178.419 177.584 -0.003 0.000 1.267 327 A CA 0.181 52.219 52.037 0.002 0.000 0.940 327 A CB -0.821 18.181 19.000 0.004 0.000 1.101 327 A HN 1.833 nan 8.150 nan 0.000 0.521 328 G N -1.335 107.462 108.800 -0.005 0.000 2.576 328 G HA2 0.117 4.079 3.960 0.003 0.000 0.686 328 G HA3 0.117 4.079 3.960 0.003 0.000 0.686 328 G C 0.509 175.409 174.900 -0.001 0.000 1.242 328 G CA 0.205 45.289 45.100 -0.028 0.000 0.819 328 G HN 1.006 nan 8.290 nan 0.000 0.655 329 T N -1.518 113.012 114.554 -0.041 0.000 2.684 329 T HA -0.162 4.190 4.350 0.003 0.000 0.267 329 T C 2.025 176.755 174.700 0.050 0.000 1.036 329 T CA 2.194 64.304 62.100 0.017 0.000 1.148 329 T CB -0.210 68.630 68.868 -0.046 0.000 0.863 329 T HN 0.536 nan 8.240 nan 0.000 0.436 330 Q N 1.011 120.820 119.800 0.016 0.000 2.079 330 Q HA -0.052 4.290 4.340 0.003 0.000 0.200 330 Q C 2.395 178.405 176.000 0.015 0.000 0.974 330 Q CA 1.651 57.463 55.803 0.015 0.000 0.840 330 Q CB -0.355 28.385 28.738 0.003 0.000 0.898 330 Q HN 0.670 nan 8.270 nan 0.000 0.430 331 E N 0.844 121.052 120.200 0.014 0.000 2.077 331 E HA -0.149 4.202 4.350 0.003 0.000 0.193 331 E C 1.677 178.285 176.600 0.015 0.000 0.989 331 E CA 1.169 57.576 56.400 0.011 0.000 0.800 331 E CB -0.112 29.593 29.700 0.008 0.000 0.746 331 E HN 0.282 nan 8.360 nan 0.000 0.452 332 D N 0.165 120.588 120.400 0.039 0.000 2.097 332 D HA -0.137 4.505 4.640 0.003 0.000 0.195 332 D C 1.877 178.170 176.300 -0.013 0.000 0.989 332 D CA 1.544 55.566 54.000 0.036 0.000 0.827 332 D CB -0.448 40.433 40.800 0.134 0.000 0.966 332 D HN 0.205 nan 8.370 nan 0.000 0.456 333 A N 1.028 123.855 122.820 0.011 0.000 1.908 333 A HA -0.116 4.205 4.320 0.003 0.000 0.218 333 A C 2.309 179.875 177.584 -0.031 0.000 1.181 333 A CA 2.526 54.554 52.037 -0.015 0.000 0.627 333 A CB -0.783 18.223 19.000 0.011 0.000 0.818 333 A HN 0.253 nan 8.150 nan 0.000 0.445 334 A N -0.956 121.855 122.820 -0.016 0.000 1.969 334 A HA -0.003 4.319 4.320 0.003 0.000 0.218 334 A C 2.421 179.993 177.584 -0.020 0.000 1.169 334 A CA 1.891 53.920 52.037 -0.014 0.000 0.635 334 A CB -0.715 18.281 19.000 -0.005 0.000 0.810 334 A HN 0.443 nan 8.150 nan 0.000 0.445 335 S N -0.165 115.519 115.700 -0.028 0.000 2.368 335 S HA -0.059 4.412 4.470 0.003 0.000 0.224 335 S C 1.816 176.386 174.600 -0.049 0.000 1.029 335 S CA 1.211 59.395 58.200 -0.027 0.000 0.988 335 S CB -0.404 62.779 63.200 -0.028 0.000 0.838 335 S HN 0.519 nan 8.310 nan 0.000 0.462 336 L N 0.947 122.084 121.223 -0.142 0.000 2.083 336 L HA -0.115 4.227 4.340 0.003 0.000 0.209 336 L C 2.698 179.538 176.870 -0.050 0.000 1.083 336 L CA 1.202 55.899 54.840 -0.240 0.000 0.752 336 L CB -0.333 41.497 42.059 -0.382 0.000 0.899 336 L HN 0.264 nan 8.230 nan 0.000 0.433 337 R N -0.976 119.507 120.500 -0.028 0.000 2.092 337 R HA -0.112 4.230 4.340 0.003 0.000 0.231 337 R C 2.151 178.462 176.300 0.018 0.000 1.119 337 R CA 1.081 57.184 56.100 0.006 0.000 0.970 337 R CB -0.238 30.059 30.300 -0.005 0.000 0.864 337 R HN 0.221 nan 8.270 nan 0.000 0.440 338 V N 0.565 120.488 119.914 0.014 0.000 2.379 338 V HA -0.224 3.898 4.120 0.003 0.000 0.245 338 V C 1.889 177.986 176.094 0.005 0.000 1.044 338 V CA 1.559 63.860 62.300 0.002 0.000 1.036 338 V CB -0.556 31.270 31.823 0.006 0.000 0.664 338 V HN 0.218 nan 8.190 nan 0.000 0.453 339 F N 1.592 121.476 119.950 -0.110 0.000 2.126 339 F HA -0.245 4.284 4.527 0.003 0.000 0.299 339 F C 2.403 178.119 175.800 -0.139 0.000 1.096 339 F CA 2.347 60.273 58.000 -0.124 0.000 1.255 339 F CB -0.476 38.434 39.000 -0.151 0.000 0.997 339 F HN 0.111 nan 8.300 nan 0.000 0.479 340 T N 0.202 114.830 114.554 0.123 0.000 2.777 340 T HA -0.177 4.175 4.350 0.003 0.000 0.266 340 T C 1.688 176.363 174.700 -0.041 0.000 1.040 340 T CA 1.706 63.874 62.100 0.113 0.000 1.141 340 T CB -0.328 68.675 68.868 0.225 0.000 0.868 340 T HN 0.420 nan 8.240 nan 0.000 0.444 341 E N 1.170 121.328 120.200 -0.071 0.000 2.077 341 E HA -0.069 4.283 4.350 0.003 0.000 0.193 341 E C 2.578 179.037 176.600 -0.235 0.000 0.989 341 E CA 1.002 57.335 56.400 -0.112 0.000 0.800 341 E CB -0.215 29.435 29.700 -0.084 0.000 0.746 341 E HN 0.486 nan 8.360 nan 0.000 0.452 342 A N 1.446 124.065 122.820 -0.335 0.000 1.873 342 A HA -0.174 4.148 4.320 0.003 0.000 0.215 342 A C 2.187 179.275 177.584 -0.825 0.000 1.186 342 A CA 1.204 52.880 52.037 -0.602 0.000 0.616 342 A CB -0.321 18.372 19.000 -0.513 0.000 0.823 342 A HN 0.101 nan 8.150 nan 0.000 0.442 343 M N -0.129 119.126 119.600 -0.575 0.000 2.108 343 M HA -0.132 4.350 4.480 0.003 0.000 0.261 343 M C 2.196 178.402 176.300 -0.157 0.000 1.066 343 M CA 2.115 57.214 55.300 -0.334 0.000 1.107 343 M CB -1.973 30.400 32.600 -0.378 0.000 1.356 343 M HN 0.467 nan 8.290 nan 0.000 0.406 344 T N 0.074 114.543 114.554 -0.141 0.000 2.708 344 T HA -0.132 4.220 4.350 0.003 0.000 0.266 344 T C 1.956 176.585 174.700 -0.119 0.000 1.037 344 T CA 1.158 63.215 62.100 -0.072 0.000 1.146 344 T CB -0.210 68.625 68.868 -0.056 0.000 0.865 344 T HN 0.381 nan 8.240 nan 0.000 0.435 345 R N 0.068 120.420 120.500 -0.245 0.000 2.127 345 R HA -0.081 4.261 4.340 0.003 0.000 0.238 345 R C 1.759 177.994 176.300 -0.108 0.000 1.134 345 R CA 1.183 57.150 56.100 -0.222 0.000 0.975 345 R CB -0.329 29.772 30.300 -0.331 0.000 0.865 345 R HN 0.463 nan 8.270 nan 0.000 0.447 346 Y N -0.025 120.227 120.300 -0.080 0.000 2.529 346 Y HA 0.092 4.643 4.550 0.002 0.000 0.290 346 Y C 0.871 176.730 175.900 -0.067 0.000 1.177 346 Y CA -0.277 57.765 58.100 -0.097 0.000 1.305 346 Y CB -0.201 38.224 38.460 -0.059 0.000 1.047 346 Y HN -0.042 nan 8.280 nan 0.000 0.522 347 S N -0.152 115.593 115.700 0.075 0.000 4.044 347 S HA -0.046 4.425 4.470 0.003 0.000 0.371 347 S C -0.124 174.507 174.600 0.050 0.000 0.977 347 S CA 0.436 58.666 58.200 0.049 0.000 1.092 347 S CB -1.444 61.778 63.200 0.036 0.000 0.845 347 S HN 0.818 nan 8.310 nan 0.000 0.496 348 A N 1.840 124.709 122.820 0.082 0.000 3.464 348 A HA 0.553 4.875 4.320 0.003 0.000 0.243 348 A C -2.391 175.327 177.584 0.223 0.000 1.100 348 A CA -0.499 51.626 52.037 0.145 0.000 0.957 348 A CB 0.898 20.028 19.000 0.218 0.000 1.340 348 A HN 0.439 nan 8.150 nan 0.000 0.645 349 P HA 0.293 nan 4.420 nan 0.000 0.272 349 P C -2.887 174.464 177.300 0.086 0.000 1.223 349 P CA -1.005 62.156 63.100 0.102 0.000 0.784 349 P CB 0.606 32.295 31.700 -0.017 0.000 0.923 350 P HA 0.085 nan 4.420 nan 0.000 0.278 350 P C 0.841 178.062 177.300 -0.130 0.000 1.238 350 P CA 0.043 63.011 63.100 -0.219 0.000 0.794 350 P CB 0.823 32.381 31.700 -0.237 0.000 0.955 351 G N 2.036 110.751 108.800 -0.142 0.000 2.395 351 G HA2 -0.019 3.943 3.960 0.003 0.000 0.214 351 G HA3 -0.019 3.943 3.960 0.003 0.000 0.214 351 G C 0.031 174.887 174.900 -0.073 0.000 1.177 351 G CA 0.429 45.483 45.100 -0.077 0.000 0.794 351 G HN 0.490 nan 8.290 nan 0.000 0.532 352 D N 0.285 120.629 120.400 -0.093 0.000 2.787 352 D HA 0.361 5.002 4.640 0.003 0.000 0.246 352 D C -2.739 173.518 176.300 -0.073 0.000 1.150 352 D CA -1.147 52.814 54.000 -0.064 0.000 0.864 352 D CB 2.231 43.004 40.800 -0.046 0.000 1.481 352 D HN -0.092 nan 8.370 nan 0.000 0.509 353 P HA 0.057 nan 4.420 nan 0.000 0.261 353 P C -2.287 175.015 177.300 0.004 0.000 1.173 353 P CA -0.574 62.522 63.100 -0.006 0.000 0.760 353 P CB -0.143 31.558 31.700 0.000 0.000 0.783 354 P HA 0.092 nan 4.420 nan 0.000 0.275 354 P C -0.863 176.428 177.300 -0.015 0.000 1.228 354 P CA -0.000 63.143 63.100 0.072 0.000 0.786 354 P CB 0.791 32.610 31.700 0.199 0.000 0.927 355 Q N 2.300 122.102 119.800 0.003 0.000 2.340 355 Q HA 0.392 4.733 4.340 0.003 0.000 0.268 355 Q C -2.312 173.662 176.000 -0.044 0.000 1.031 355 Q CA -2.133 53.652 55.803 -0.031 0.000 0.804 355 Q CB 2.070 30.803 28.738 -0.008 0.000 1.286 355 Q HN 0.408 nan 8.270 nan 0.000 0.448 356 P HA 0.109 nan 4.420 nan 0.000 0.271 356 P C -0.475 176.642 177.300 -0.306 0.000 1.216 356 P CA 0.002 62.984 63.100 -0.198 0.000 0.771 356 P CB 1.215 32.794 31.700 -0.202 0.000 0.864 357 E N 2.141 122.126 120.200 -0.358 0.000 2.256 357 E HA 0.253 4.604 4.350 0.003 0.000 0.267 357 E C -0.611 175.742 176.600 -0.411 0.000 0.892 357 E CA -0.520 55.705 56.400 -0.290 0.000 0.775 357 E CB 1.411 31.058 29.700 -0.088 0.000 1.207 357 E HN 0.430 nan 8.360 nan 0.000 0.420 358 Y N -0.087 120.352 120.300 0.231 0.000 2.682 358 Y HA 0.224 4.776 4.550 0.003 0.000 0.251 358 Y C -0.008 176.132 175.900 0.399 0.000 1.172 358 Y CA -0.431 57.881 58.100 0.354 0.000 1.186 358 Y CB 1.018 39.590 38.460 0.186 0.000 1.216 358 Y HN 0.224 nan 8.280 nan 0.000 0.540 359 D N 0.398 120.904 120.400 0.176 0.000 2.736 359 D HA 0.098 4.739 4.640 0.003 0.000 0.243 359 D C 0.601 176.530 176.300 -0.618 0.000 1.304 359 D CA -0.294 53.626 54.000 -0.133 0.000 0.934 359 D CB 1.865 42.637 40.800 -0.046 0.000 1.382 359 D HN 0.164 nan 8.370 nan 0.000 0.571 360 L N 4.541 124.962 121.223 -1.336 0.000 2.081 360 L HA -0.137 4.205 4.340 0.003 0.000 0.212 360 L C 1.686 178.199 176.870 -0.595 0.000 1.080 360 L CA 2.063 56.129 54.840 -1.290 0.000 0.754 360 L CB -0.306 40.906 42.059 -1.412 0.000 0.893 360 L HN 0.513 nan 8.230 nan 0.000 0.433 361 E N -0.668 119.280 120.200 -0.421 0.000 2.265 361 E HA -0.191 4.161 4.350 0.003 0.000 0.196 361 E C 2.036 178.527 176.600 -0.182 0.000 0.996 361 E CA 1.111 57.364 56.400 -0.244 0.000 0.832 361 E CB -0.238 29.366 29.700 -0.160 0.000 0.756 361 E HN 0.557 nan 8.360 nan 0.000 0.491 362 L N 0.893 122.006 121.223 -0.184 0.000 2.599 362 L HA 0.121 4.463 4.340 0.003 0.000 0.230 362 L C 0.748 177.552 176.870 -0.109 0.000 1.141 362 L CA -0.034 54.737 54.840 -0.115 0.000 0.877 362 L CB 0.037 42.049 42.059 -0.078 0.000 1.009 362 L HN 0.043 nan 8.230 nan 0.000 0.447 363 I N 0.134 120.612 120.570 -0.154 0.000 2.325 363 I HA 0.106 4.277 4.170 0.003 0.000 0.291 363 I C -0.018 176.045 176.117 -0.090 0.000 1.019 363 I CA 0.165 61.396 61.300 -0.114 0.000 1.302 363 I CB 1.231 39.144 38.000 -0.145 0.000 1.401 363 I HN -0.092 nan 8.210 nan 0.000 0.485 364 T N 5.047 119.570 114.554 -0.052 0.000 2.779 364 T HA 0.519 4.871 4.350 0.003 0.000 0.280 364 T C -0.321 174.368 174.700 -0.018 0.000 0.987 364 T CA -0.641 61.439 62.100 -0.034 0.000 0.966 364 T CB 1.162 70.016 68.868 -0.024 0.000 0.933 364 T HN 0.741 nan 8.240 nan 0.000 0.442 365 S N 0.603 116.296 115.700 -0.012 0.000 2.533 365 S HA 0.450 4.922 4.470 0.003 0.000 0.271 365 S C 0.086 174.698 174.600 0.020 0.000 1.143 365 S CA -0.817 57.381 58.200 -0.004 0.000 0.891 365 S CB 0.646 63.829 63.200 -0.028 0.000 1.105 365 S HN 0.923 nan 8.310 nan 0.000 0.468 366 C N 1.761 121.079 119.300 0.029 0.000 4.432 366 C HA -0.177 4.285 4.460 0.003 0.000 0.294 366 C C 1.561 176.618 174.990 0.112 0.000 1.398 366 C CA 0.687 59.746 59.018 0.068 0.000 1.988 366 C CB -3.289 24.488 27.740 0.062 0.000 1.251 366 C HN 1.785 nan 8.230 nan 0.000 0.791 367 S N -2.154 113.592 115.700 0.076 0.000 2.829 367 S HA -0.254 4.218 4.470 0.003 0.000 0.267 367 S C 0.472 175.107 174.600 0.058 0.000 1.293 367 S CA 1.730 59.969 58.200 0.064 0.000 1.375 367 S CB -1.406 61.846 63.200 0.087 0.000 1.700 367 S HN 1.909 nan 8.310 nan 0.000 0.668 368 S N 2.137 117.893 115.700 0.093 0.000 2.704 368 S HA 0.809 5.280 4.470 0.003 0.000 0.305 368 S C -0.598 174.022 174.600 0.034 0.000 1.107 368 S CA -0.341 57.922 58.200 0.106 0.000 0.993 368 S CB 1.892 65.241 63.200 0.249 0.000 1.110 368 S HN 0.636 nan 8.310 nan 0.000 0.534 369 N N -0.956 117.752 118.700 0.013 0.000 2.591 369 N HA 0.347 5.088 4.740 0.003 0.000 0.263 369 N C -1.636 173.814 175.510 -0.101 0.000 1.308 369 N CA -0.721 52.294 53.050 -0.058 0.000 0.837 369 N CB 1.403 39.845 38.487 -0.075 0.000 1.548 369 N HN 0.462 nan 8.380 nan 0.000 0.493 370 V N 0.430 120.250 119.914 -0.158 0.000 2.649 370 V HA 0.483 4.605 4.120 0.003 0.000 0.292 370 V C 0.471 176.420 176.094 -0.242 0.000 1.055 370 V CA -0.049 62.128 62.300 -0.206 0.000 1.023 370 V CB 1.003 32.695 31.823 -0.218 0.000 0.992 370 V HN 0.850 nan 8.190 nan 0.000 0.480 371 S N 2.707 118.167 115.700 -0.400 0.000 2.697 371 S HA 0.802 5.273 4.470 0.003 0.000 0.289 371 S C -1.309 173.109 174.600 -0.303 0.000 1.149 371 S CA -0.470 57.509 58.200 -0.369 0.000 0.850 371 S CB 2.073 65.005 63.200 -0.445 0.000 1.151 371 S HN 0.632 nan 8.310 nan 0.000 0.491 372 V N 1.027 120.886 119.914 -0.092 0.000 2.914 372 V HA 1.005 5.127 4.120 0.003 0.000 0.314 372 V C -0.216 175.837 176.094 -0.069 0.000 1.084 372 V CA 0.310 62.531 62.300 -0.131 0.000 0.963 372 V CB 1.379 33.008 31.823 -0.323 0.000 1.025 372 V HN 1.328 nan 8.190 nan 0.000 0.432 373 A N 4.197 126.817 122.820 -0.333 0.000 2.593 373 A HA 0.870 5.192 4.320 0.003 0.000 0.304 373 A C -1.402 175.646 177.584 -0.894 0.000 1.233 373 A CA -0.560 51.127 52.037 -0.583 0.000 0.661 373 A CB 1.682 20.184 19.000 -0.831 0.000 1.338 373 A HN 0.913 nan 8.150 nan 0.000 0.495 374 H N 0.304 119.032 119.070 -0.570 0.000 2.717 374 H HA 0.423 4.981 4.556 0.002 0.000 0.366 374 H C -1.187 173.769 175.328 -0.619 0.000 1.132 374 H CA -0.271 55.451 56.048 -0.544 0.000 1.180 374 H CB 1.860 31.306 29.762 -0.527 0.000 1.678 374 H HN 0.910 nan 8.280 nan 0.000 0.537 375 D N 0.515 120.780 120.400 -0.225 0.000 2.478 375 D HA 0.259 4.901 4.640 0.003 0.000 0.269 375 D C 1.378 177.712 176.300 0.058 0.000 1.232 375 D CA -0.403 53.530 54.000 -0.111 0.000 1.059 375 D CB 0.417 41.181 40.800 -0.060 0.000 1.104 375 D HN 0.432 nan 8.370 nan 0.000 0.566 376 A N -0.209 122.679 122.820 0.113 0.000 1.948 376 A HA -0.191 4.130 4.320 0.003 0.000 0.220 376 A C 2.126 179.786 177.584 0.127 0.000 1.177 376 A CA 2.111 54.241 52.037 0.156 0.000 0.636 376 A CB -1.158 17.895 19.000 0.089 0.000 0.815 376 A HN 0.478 nan 8.150 nan 0.000 0.449 377 S N -2.017 113.730 115.700 0.078 0.000 2.423 377 S HA 0.255 4.727 4.470 0.003 0.000 0.231 377 S C 1.614 176.251 174.600 0.061 0.000 1.014 377 S CA 1.301 59.534 58.200 0.055 0.000 0.965 377 S CB -0.095 63.125 63.200 0.034 0.000 0.785 377 S HN 1.706 nan 8.310 nan 0.000 0.495 378 G N 1.261 110.111 108.800 0.083 0.000 2.179 378 G HA2 -0.243 3.719 3.960 0.003 0.000 0.220 378 G HA3 -0.243 3.719 3.960 0.003 0.000 0.220 378 G C 0.072 175.031 174.900 0.099 0.000 0.990 378 G CA 0.078 45.215 45.100 0.063 0.000 0.646 378 G HN 0.519 nan 8.290 nan 0.000 0.517 379 K N 1.181 121.622 120.400 0.068 0.000 2.326 379 K HA 0.455 4.776 4.320 0.003 0.000 0.275 379 K C 0.872 177.475 176.600 0.006 0.000 1.018 379 K CA -0.608 55.709 56.287 0.049 0.000 0.962 379 K CB 0.327 32.830 32.500 0.005 0.000 0.953 379 K HN 0.313 nan 8.250 nan 0.000 0.475 380 R N 1.426 121.887 120.500 -0.066 0.000 2.679 380 R HA 0.146 4.488 4.340 0.003 0.000 0.268 380 R C -0.599 175.469 176.300 -0.386 0.000 1.044 380 R CA -0.187 55.690 56.100 -0.371 0.000 1.105 380 R CB 0.994 31.074 30.300 -0.366 0.000 0.989 380 R HN 0.386 nan 8.270 nan 0.000 0.447 381 V N 4.175 123.774 119.914 -0.524 0.000 2.777 381 V HA 0.361 4.483 4.120 0.003 0.000 0.306 381 V C -1.682 174.207 176.094 -0.342 0.000 1.112 381 V CA -0.723 61.373 62.300 -0.340 0.000 0.917 381 V CB 1.461 33.149 31.823 -0.225 0.000 1.018 381 V HN 0.615 nan 8.190 nan 0.000 0.426 382 Y N 7.186 127.468 120.300 -0.030 0.000 2.334 382 Y HA 0.772 5.323 4.550 0.001 0.000 0.328 382 Y C 0.009 175.954 175.900 0.075 0.000 1.130 382 Y CA -0.111 57.975 58.100 -0.024 0.000 1.163 382 Y CB 1.584 39.992 38.460 -0.088 0.000 1.207 382 Y HN 0.805 nan 8.280 nan 0.000 0.471 383 Y N 0.144 120.489 120.300 0.075 0.000 2.655 383 Y HA 0.710 5.261 4.550 0.002 0.000 0.336 383 Y C -2.185 173.759 175.900 0.073 0.000 1.154 383 Y CA -2.021 56.103 58.100 0.040 0.000 1.055 383 Y CB 0.723 39.171 38.460 -0.019 0.000 1.295 383 Y HN 0.461 nan 8.280 nan 0.000 0.465 384 L N 1.933 123.218 121.223 0.105 0.000 2.289 384 L HA 0.755 5.097 4.340 0.003 0.000 0.285 384 L C 0.013 177.073 176.870 0.318 0.000 1.049 384 L CA 0.374 55.273 54.840 0.100 0.000 0.804 384 L CB 1.454 43.600 42.059 0.145 0.000 1.195 384 L HN 1.037 nan 8.230 nan 0.000 0.428 385 T N 4.222 118.908 114.554 0.220 0.000 2.716 385 T HA 0.880 5.232 4.350 0.003 0.000 0.286 385 T C -1.219 173.579 174.700 0.163 0.000 1.052 385 T CA -0.582 61.709 62.100 0.318 0.000 1.024 385 T CB 1.162 70.210 68.868 0.300 0.000 1.349 385 T HN 0.845 nan 8.240 nan 0.000 0.525 386 R N 0.411 120.959 120.500 0.081 0.000 2.728 386 R HA 0.439 4.780 4.340 0.003 0.000 0.274 386 R C -1.615 174.524 176.300 -0.269 0.000 1.030 386 R CA -0.997 55.038 56.100 -0.109 0.000 0.876 386 R CB 0.321 30.488 30.300 -0.222 0.000 1.259 386 R HN 0.525 nan 8.270 nan 0.000 0.468 387 D N 2.057 122.298 120.400 -0.265 0.000 2.450 387 D HA 0.051 4.693 4.640 0.003 0.000 0.247 387 D C -1.308 174.637 176.300 -0.592 0.000 1.162 387 D CA -1.361 52.437 54.000 -0.335 0.000 0.879 387 D CB 1.298 41.980 40.800 -0.196 0.000 1.163 387 D HN 0.374 nan 8.370 nan 0.000 0.472 388 P HA -0.042 nan 4.420 nan 0.000 0.245 388 P C 1.148 178.122 177.300 -0.544 0.000 1.212 388 P CA 0.257 62.688 63.100 -1.115 0.000 0.774 388 P CB 0.334 31.257 31.700 -1.294 0.000 0.999 389 T N 0.263 114.617 114.554 -0.334 0.000 2.580 389 T HA -0.151 4.200 4.350 0.003 0.000 0.265 389 T C 1.840 176.469 174.700 -0.118 0.000 1.063 389 T CA 2.566 64.565 62.100 -0.168 0.000 1.170 389 T CB -1.291 67.523 68.868 -0.090 0.000 0.863 389 T HN 0.196 nan 8.240 nan 0.000 0.418 390 T N 2.407 116.900 114.554 -0.101 0.000 2.684 390 T HA -0.077 4.275 4.350 0.003 0.000 0.267 390 T C -0.510 174.143 174.700 -0.078 0.000 1.036 390 T CA 1.449 63.514 62.100 -0.059 0.000 1.148 390 T CB -1.306 67.555 68.868 -0.011 0.000 0.863 390 T HN 0.343 nan 8.240 nan 0.000 0.436 391 P HA -0.015 nan 4.420 nan 0.000 0.216 391 P C 1.481 178.807 177.300 0.044 0.000 1.150 391 P CA 0.946 64.036 63.100 -0.016 0.000 0.843 391 P CB -0.181 31.463 31.700 -0.093 0.000 0.787 392 L N -1.578 119.623 121.223 -0.037 0.000 2.109 392 L HA -0.084 4.257 4.340 0.003 0.000 0.207 392 L C 2.462 179.360 176.870 0.047 0.000 1.086 392 L CA 1.271 56.115 54.840 0.007 0.000 0.760 392 L CB -1.123 40.900 42.059 -0.061 0.000 0.910 392 L HN -0.053 nan 8.230 nan 0.000 0.437 393 A N 0.524 123.361 122.820 0.028 0.000 1.877 393 A HA -0.210 4.111 4.320 0.003 0.000 0.216 393 A C 2.377 180.027 177.584 0.110 0.000 1.186 393 A CA 1.546 53.621 52.037 0.064 0.000 0.620 393 A CB -0.468 18.543 19.000 0.019 0.000 0.822 393 A HN 0.318 nan 8.150 nan 0.000 0.443 394 R N -0.569 119.967 120.500 0.060 0.000 2.115 394 R HA -0.002 4.339 4.340 0.003 0.000 0.230 394 R C 2.411 178.874 176.300 0.271 0.000 1.111 394 R CA 0.975 57.138 56.100 0.104 0.000 0.976 394 R CB -0.418 29.883 30.300 0.001 0.000 0.870 394 R HN 0.521 nan 8.270 nan 0.000 0.445 395 A N 1.427 124.416 122.820 0.281 0.000 1.902 395 A HA -0.105 4.216 4.320 0.003 0.000 0.217 395 A C 2.383 180.180 177.584 0.355 0.000 1.181 395 A CA 1.644 53.944 52.037 0.438 0.000 0.623 395 A CB -0.590 18.652 19.000 0.403 0.000 0.818 395 A HN 0.374 nan 8.150 nan 0.000 0.443 396 A N -1.319 121.627 122.820 0.211 0.000 1.902 396 A HA -0.185 4.136 4.320 0.003 0.000 0.217 396 A C 2.113 179.837 177.584 0.233 0.000 1.181 396 A CA 1.416 53.547 52.037 0.156 0.000 0.623 396 A CB -0.890 18.189 19.000 0.131 0.000 0.818 396 A HN 0.844 nan 8.150 nan 0.000 0.443 397 W N 1.014 122.378 121.300 0.107 0.000 2.358 397 W HA -0.148 4.514 4.660 0.003 0.000 0.303 397 W C 1.606 178.212 176.519 0.144 0.000 1.208 397 W CA 1.938 59.343 57.345 0.101 0.000 1.274 397 W CB -0.294 29.201 29.460 0.059 0.000 1.138 397 W HN 0.544 nan 8.180 nan 0.000 0.515 398 E N -0.789 119.705 120.200 0.489 0.000 2.347 398 E HA -0.130 4.221 4.350 0.003 0.000 0.196 398 E C 2.001 178.817 176.600 0.360 0.000 1.008 398 E CA 1.599 58.266 56.400 0.445 0.000 0.852 398 E CB -0.081 29.929 29.700 0.517 0.000 0.783 398 E HN 0.084 nan 8.360 nan 0.000 0.505 399 T N 0.133 114.875 114.554 0.313 0.000 2.942 399 T HA -0.002 4.350 4.350 0.003 0.000 0.265 399 T C 1.865 176.635 174.700 0.117 0.000 1.062 399 T CA 0.929 63.167 62.100 0.231 0.000 1.139 399 T CB 0.064 69.061 68.868 0.215 0.000 0.883 399 T HN 0.211 nan 8.240 nan 0.000 0.468 400 A N 1.567 124.408 122.820 0.035 0.000 1.878 400 A HA 0.198 4.519 4.320 0.003 0.000 0.213 400 A C 1.338 178.858 177.584 -0.106 0.000 1.192 400 A CA 0.527 52.516 52.037 -0.079 0.000 0.619 400 A CB 0.051 18.930 19.000 -0.202 0.000 0.837 400 A HN 0.335 nan 8.150 nan 0.000 0.446 401 R N -0.558 119.850 120.500 -0.152 0.000 2.732 401 R HA 0.464 4.806 4.340 0.003 0.000 0.278 401 R C -1.097 175.310 176.300 0.178 0.000 0.976 401 R CA -0.630 55.411 56.100 -0.097 0.000 0.963 401 R CB 0.939 31.074 30.300 -0.274 0.000 1.150 401 R HN 0.554 nan 8.270 nan 0.000 0.478 402 H N 0.853 119.948 119.070 0.042 0.000 2.767 402 H HA 0.118 4.676 4.556 0.003 0.000 0.316 402 H C 0.040 175.436 175.328 0.113 0.000 1.059 402 H CA -0.115 55.980 56.048 0.079 0.000 1.461 402 H CB 0.880 30.669 29.762 0.046 0.000 1.475 402 H HN 0.533 nan 8.280 nan 0.000 0.531 403 T N 0.635 115.335 114.554 0.243 0.000 2.893 403 T HA 0.168 4.519 4.350 0.003 0.000 0.293 403 T C -1.527 173.233 174.700 0.100 0.000 1.027 403 T CA -1.816 60.396 62.100 0.188 0.000 0.988 403 T CB 2.238 71.248 68.868 0.236 0.000 1.043 403 T HN 0.370 nan 8.240 nan 0.000 0.461 404 P HA 0.025 nan 4.420 nan 0.000 0.215 404 P C 0.195 177.500 177.300 0.009 0.000 1.157 404 P CA 0.538 63.634 63.100 -0.006 0.000 0.863 404 P CB 0.045 31.718 31.700 -0.044 0.000 0.787 405 V N 1.404 121.323 119.914 0.008 0.000 2.435 405 V HA 0.216 4.338 4.120 0.003 0.000 0.290 405 V C -0.303 175.771 176.094 -0.034 0.000 1.030 405 V CA -0.606 61.680 62.300 -0.022 0.000 0.881 405 V CB 1.053 32.860 31.823 -0.028 0.000 0.983 405 V HN 0.003 nan 8.190 nan 0.000 0.445 406 N N 2.311 120.931 118.700 -0.133 0.000 2.589 406 N HA 0.183 4.925 4.740 0.003 0.000 0.232 406 N C 1.211 176.508 175.510 -0.356 0.000 1.015 406 N CA -0.070 52.826 53.050 -0.256 0.000 0.931 406 N CB 1.306 39.452 38.487 -0.568 0.000 1.150 406 N HN 0.763 nan 8.380 nan 0.000 0.512 407 S N 1.855 117.484 115.700 -0.119 0.000 2.419 407 S HA -0.168 4.304 4.470 0.003 0.000 0.233 407 S C 1.685 176.261 174.600 -0.040 0.000 1.016 407 S CA 0.423 58.589 58.200 -0.057 0.000 0.974 407 S CB -0.444 62.772 63.200 0.027 0.000 0.786 407 S HN 0.820 nan 8.310 nan 0.000 0.492 408 W N 1.364 122.606 121.300 -0.098 0.000 2.363 408 W HA -0.016 4.645 4.660 0.002 0.000 0.296 408 W C 1.713 178.157 176.519 -0.125 0.000 1.212 408 W CA 0.488 57.743 57.345 -0.151 0.000 1.260 408 W CB -1.137 27.951 29.460 -0.620 0.000 1.131 408 W HN 0.362 nan 8.180 nan 0.000 0.530 409 L N 2.915 123.490 121.223 -1.080 0.000 2.056 409 L HA 0.128 4.469 4.340 0.003 0.000 0.207 409 L C 2.656 179.331 176.870 -0.325 0.000 1.078 409 L CA 2.808 57.102 54.840 -0.910 0.000 0.749 409 L CB -1.389 39.917 42.059 -1.255 0.000 0.901 409 L HN 0.050 nan 8.230 nan 0.000 0.433 410 G N -0.659 107.981 108.800 -0.266 0.000 2.418 410 G HA2 -0.295 3.667 3.960 0.003 0.000 0.217 410 G HA3 -0.295 3.667 3.960 0.003 0.000 0.217 410 G C 1.474 176.385 174.900 0.019 0.000 1.158 410 G CA 0.769 45.802 45.100 -0.113 0.000 0.771 410 G HN 0.453 nan 8.290 nan 0.000 0.545 411 N N 0.605 119.375 118.700 0.116 0.000 2.142 411 N HA -0.029 4.712 4.740 0.003 0.000 0.186 411 N C 2.262 177.908 175.510 0.226 0.000 1.023 411 N CA 0.730 53.964 53.050 0.306 0.000 0.852 411 N CB -0.167 38.582 38.487 0.437 0.000 0.998 411 N HN 0.331 nan 8.380 nan 0.000 0.424 412 I N 1.074 121.747 120.570 0.172 0.000 2.286 412 I HA -0.226 3.946 4.170 0.003 0.000 0.248 412 I C 2.076 178.252 176.117 0.097 0.000 1.115 412 I CA 0.884 62.271 61.300 0.145 0.000 1.392 412 I CB -0.123 38.026 38.000 0.249 0.000 1.065 412 I HN 0.057 nan 8.210 nan 0.000 0.418 413 I N -0.188 120.440 120.570 0.097 0.000 2.202 413 I HA -0.280 3.891 4.170 0.003 0.000 0.242 413 I C 2.462 178.674 176.117 0.157 0.000 1.091 413 I CA 1.180 62.562 61.300 0.137 0.000 1.368 413 I CB -0.207 37.858 38.000 0.109 0.000 1.058 413 I HN 0.209 nan 8.210 nan 0.000 0.410 414 M N -0.642 118.968 119.600 0.017 0.000 2.254 414 M HA -0.116 4.366 4.480 0.003 0.000 0.265 414 M C 1.116 177.172 176.300 -0.408 0.000 1.066 414 M CA 1.715 56.901 55.300 -0.191 0.000 1.123 414 M CB -0.747 31.626 32.600 -0.378 0.000 1.388 414 M HN 0.198 nan 8.290 nan 0.000 0.425 415 Y N -0.700 119.589 120.300 -0.018 0.000 2.696 415 Y HA 0.481 5.032 4.550 0.002 0.000 0.260 415 Y C 1.816 177.463 175.900 -0.422 0.000 1.165 415 Y CA -0.336 57.635 58.100 -0.215 0.000 1.189 415 Y CB -0.920 37.351 38.460 -0.314 0.000 1.180 415 Y HN 0.157 nan 8.280 nan 0.000 0.538 416 A N 0.940 123.576 122.820 -0.307 0.000 1.997 416 A HA -0.192 4.129 4.320 0.003 0.000 0.221 416 A C -0.454 176.865 177.584 -0.442 0.000 1.172 416 A CA 1.869 53.697 52.037 -0.349 0.000 0.645 416 A CB -1.329 17.487 19.000 -0.306 0.000 0.813 416 A HN 0.293 nan 8.150 nan 0.000 0.454 417 P HA 0.024 nan 4.420 nan 0.000 0.231 417 P C 0.747 177.784 177.300 -0.439 0.000 1.168 417 P CA 1.195 64.017 63.100 -0.463 0.000 0.779 417 P CB -0.326 31.117 31.700 -0.427 0.000 0.844 418 T N -2.274 112.028 114.554 -0.420 0.000 2.856 418 T HA 0.057 4.409 4.350 0.003 0.000 0.306 418 T C 1.134 175.435 174.700 -0.664 0.000 1.062 418 T CA -0.544 61.260 62.100 -0.494 0.000 1.083 418 T CB 0.453 68.807 68.868 -0.857 0.000 0.984 418 T HN -0.187 nan 8.240 nan 0.000 0.542 419 L N 1.835 122.585 121.223 -0.788 0.000 2.046 419 L HA 0.051 4.393 4.340 0.003 0.000 0.208 419 L C 2.402 178.957 176.870 -0.525 0.000 1.077 419 L CA 1.566 55.881 54.840 -0.875 0.000 0.747 419 L CB -0.974 40.494 42.059 -0.986 0.000 0.896 419 L HN 0.921 nan 8.230 nan 0.000 0.432 420 W N -0.782 120.308 121.300 -0.349 0.000 2.418 420 W HA 0.076 4.738 4.660 0.003 0.000 0.292 420 W C 2.025 178.410 176.519 -0.223 0.000 1.213 420 W CA 0.808 57.984 57.345 -0.283 0.000 1.283 420 W CB -1.462 27.868 29.460 -0.215 0.000 1.119 420 W HN 0.304 nan 8.180 nan 0.000 0.542 421 A N 1.872 124.284 122.820 -0.680 0.000 1.898 421 A HA -0.133 4.189 4.320 0.003 0.000 0.216 421 A C 2.263 179.714 177.584 -0.221 0.000 1.181 421 A CA 1.791 53.578 52.037 -0.417 0.000 0.620 421 A CB -0.744 17.869 19.000 -0.646 0.000 0.819 421 A HN 0.301 nan 8.150 nan 0.000 0.442 422 R N -0.975 119.309 120.500 -0.360 0.000 2.057 422 R HA 0.044 4.386 4.340 0.003 0.000 0.229 422 R C 2.263 178.398 176.300 -0.275 0.000 1.136 422 R CA 1.701 57.608 56.100 -0.322 0.000 0.952 422 R CB -0.369 29.592 30.300 -0.564 0.000 0.848 422 R HN 0.502 nan 8.270 nan 0.000 0.430 423 M N -0.172 119.105 119.600 -0.538 0.000 2.288 423 M HA -0.026 4.456 4.480 0.003 0.000 0.266 423 M C 1.867 178.111 176.300 -0.093 0.000 1.072 423 M CA 1.457 56.527 55.300 -0.384 0.000 1.132 423 M CB 0.075 32.358 32.600 -0.528 0.000 1.386 423 M HN 0.139 nan 8.290 nan 0.000 0.432 424 I N -0.732 119.642 120.570 -0.328 0.000 3.098 424 I HA -0.090 4.082 4.170 0.003 0.000 0.241 424 I C 2.103 178.068 176.117 -0.254 0.000 1.081 424 I CA 0.259 61.120 61.300 -0.732 0.000 1.487 424 I CB -0.356 37.155 38.000 -0.815 0.000 1.366 424 I HN 0.108 nan 8.210 nan 0.000 0.463 425 L N 0.431 121.670 121.223 0.027 0.000 1.990 425 L HA -0.264 4.078 4.340 0.003 0.000 0.213 425 L C 2.733 179.905 176.870 0.503 0.000 1.072 425 L CA 1.799 56.851 54.840 0.353 0.000 0.755 425 L CB -0.541 41.774 42.059 0.427 0.000 0.889 425 L HN 0.315 nan 8.230 nan 0.000 0.432 426 M N -0.911 118.947 119.600 0.430 0.000 2.065 426 M HA -0.196 4.286 4.480 0.003 0.000 0.259 426 M C 2.351 179.137 176.300 0.811 0.000 1.069 426 M CA 2.196 57.849 55.300 0.589 0.000 1.110 426 M CB -0.660 32.086 32.600 0.243 0.000 1.328 426 M HN 0.289 nan 8.290 nan 0.000 0.405 427 T N -1.271 113.744 114.554 0.768 0.000 2.652 427 T HA -0.242 4.110 4.350 0.003 0.000 0.267 427 T C 1.627 176.634 174.700 0.512 0.000 1.039 427 T CA 2.013 64.563 62.100 0.750 0.000 1.153 427 T CB -0.633 68.710 68.868 0.792 0.000 0.863 427 T HN 0.471 nan 8.240 nan 0.000 0.428 428 H N 0.513 119.766 119.070 0.306 0.000 2.267 428 H HA -0.075 4.483 4.556 0.003 0.000 0.297 428 H C 1.859 177.053 175.328 -0.224 0.000 1.080 428 H CA 1.817 57.891 56.048 0.043 0.000 1.278 428 H CB -0.570 29.047 29.762 -0.240 0.000 1.365 428 H HN 0.345 nan 8.280 nan 0.000 0.489 429 F N -0.997 118.911 119.950 -0.070 0.000 2.186 429 F HA -0.041 4.487 4.527 0.003 0.000 0.299 429 F C 2.133 177.787 175.800 -0.243 0.000 1.090 429 F CA 0.728 58.471 58.000 -0.428 0.000 1.307 429 F CB -0.645 37.756 39.000 -0.998 0.000 1.019 429 F HN 0.149 nan 8.300 nan 0.000 0.489 430 F N -0.656 119.408 119.950 0.190 0.000 2.293 430 F HA -0.163 4.366 4.527 0.003 0.000 0.300 430 F C 2.672 178.514 175.800 0.071 0.000 1.086 430 F CA 1.321 59.444 58.000 0.205 0.000 1.375 430 F CB -0.759 38.463 39.000 0.371 0.000 1.045 430 F HN -0.104 nan 8.300 nan 0.000 0.516 431 S N 0.299 116.083 115.700 0.140 0.000 2.355 431 S HA -0.147 4.324 4.470 0.003 0.000 0.222 431 S C 2.134 176.697 174.600 -0.062 0.000 1.031 431 S CA 1.306 59.514 58.200 0.014 0.000 0.993 431 S CB -0.356 62.825 63.200 -0.032 0.000 0.859 431 S HN 0.308 nan 8.310 nan 0.000 0.453 432 I N 1.288 121.757 120.570 -0.167 0.000 2.163 432 I HA -0.165 4.006 4.170 0.003 0.000 0.240 432 I C 2.223 178.299 176.117 -0.069 0.000 1.081 432 I CA 1.064 62.266 61.300 -0.162 0.000 1.353 432 I CB -0.428 37.413 38.000 -0.266 0.000 1.054 432 I HN 0.290 nan 8.210 nan 0.000 0.407 433 L N 0.278 121.467 121.223 -0.057 0.000 2.081 433 L HA -0.262 4.080 4.340 0.003 0.000 0.212 433 L C 2.582 179.462 176.870 0.016 0.000 1.080 433 L CA 1.381 56.209 54.840 -0.020 0.000 0.754 433 L CB -0.562 41.455 42.059 -0.070 0.000 0.893 433 L HN 0.305 nan 8.230 nan 0.000 0.433 434 L N -0.566 120.680 121.223 0.039 0.000 1.976 434 L HA -0.238 4.104 4.340 0.003 0.000 0.209 434 L C 2.899 179.782 176.870 0.022 0.000 1.071 434 L CA 1.423 56.295 54.840 0.053 0.000 0.746 434 L CB -0.639 41.459 42.059 0.064 0.000 0.890 434 L HN 0.259 nan 8.230 nan 0.000 0.432 435 A N -0.459 122.361 122.820 0.000 0.000 1.851 435 A HA -0.273 4.049 4.320 0.003 0.000 0.216 435 A C 2.063 179.646 177.584 -0.003 0.000 1.195 435 A CA 1.759 53.791 52.037 -0.009 0.000 0.622 435 A CB -0.664 18.320 19.000 -0.027 0.000 0.831 435 A HN 0.557 nan 8.150 nan 0.000 0.444 436 Q N -0.632 119.165 119.800 -0.005 0.000 2.515 436 Q HA -0.007 4.334 4.340 0.003 0.000 0.212 436 Q C -0.677 175.330 176.000 0.012 0.000 0.970 436 Q CA 0.556 56.361 55.803 0.003 0.000 0.941 436 Q CB -0.133 28.606 28.738 0.001 0.000 0.998 436 Q HN 0.730 nan 8.270 nan 0.000 0.518 437 E N 0.281 120.491 120.200 0.017 0.000 2.297 437 E HA -0.258 4.094 4.350 0.003 0.000 0.228 437 E C -0.441 176.177 176.600 0.029 0.000 1.213 437 E CA 0.271 56.687 56.400 0.026 0.000 0.712 437 E CB -1.160 28.553 29.700 0.022 0.000 1.202 437 E HN 0.507 nan 8.360 nan 0.000 0.376 438 Q N -0.323 119.496 119.800 0.031 0.000 2.141 438 Q HA 0.235 4.577 4.340 0.003 0.000 0.248 438 Q C 1.564 177.589 176.000 0.043 0.000 0.834 438 Q CA -0.278 55.546 55.803 0.035 0.000 1.096 438 Q CB 0.530 29.288 28.738 0.034 0.000 1.189 438 Q HN 0.375 nan 8.270 nan 0.000 0.471 439 L N 0.509 121.763 121.223 0.051 0.000 2.042 439 L HA -0.223 4.119 4.340 0.003 0.000 0.210 439 L C 1.200 178.113 176.870 0.072 0.000 1.076 439 L CA 1.436 56.316 54.840 0.066 0.000 0.749 439 L CB -0.087 42.038 42.059 0.111 0.000 0.893 439 L HN 0.312 nan 8.230 nan 0.000 0.432 440 E N -0.371 119.867 120.200 0.064 0.000 2.476 440 E HA -0.004 4.348 4.350 0.003 0.000 0.191 440 E C 0.387 177.017 176.600 0.051 0.000 1.064 440 E CA 0.130 56.565 56.400 0.059 0.000 0.866 440 E CB -0.221 29.510 29.700 0.052 0.000 0.952 440 E HN 0.194 nan 8.360 nan 0.000 0.492 441 K N 1.641 122.070 120.400 0.049 0.000 2.276 441 K HA 0.471 4.792 4.320 0.003 0.000 0.285 441 K C -0.438 176.190 176.600 0.047 0.000 1.062 441 K CA -0.492 55.822 56.287 0.045 0.000 0.918 441 K CB 0.647 33.172 32.500 0.041 0.000 1.055 441 K HN 0.118 nan 8.250 nan 0.000 0.477 442 A N 5.285 128.132 122.820 0.045 0.000 2.477 442 A HA 0.344 4.666 4.320 0.003 0.000 0.246 442 A C -0.490 177.114 177.584 0.033 0.000 1.078 442 A CA -0.219 51.844 52.037 0.042 0.000 0.770 442 A CB 0.089 19.121 19.000 0.052 0.000 1.011 442 A HN 0.760 nan 8.150 nan 0.000 0.494 443 L N 1.629 122.855 121.223 0.005 0.000 2.333 443 L HA 0.455 4.796 4.340 0.003 0.000 0.263 443 L C -0.820 176.026 176.870 -0.040 0.000 1.014 443 L CA -1.084 53.742 54.840 -0.024 0.000 0.820 443 L CB 2.009 44.019 42.059 -0.082 0.000 1.352 443 L HN 0.550 nan 8.230 nan 0.000 0.421 444 D N 1.094 121.476 120.400 -0.030 0.000 2.198 444 D HA 0.499 5.141 4.640 0.003 0.000 0.245 444 D C -0.607 175.636 176.300 -0.094 0.000 1.079 444 D CA -0.051 53.940 54.000 -0.015 0.000 0.854 444 D CB 1.896 42.728 40.800 0.053 0.000 1.148 444 D HN 0.623 nan 8.370 nan 0.000 0.456 445 C N 0.501 119.744 119.300 -0.095 0.000 3.236 445 C HA 0.679 5.141 4.460 0.003 0.000 0.312 445 C C -0.908 174.041 174.990 -0.068 0.000 1.374 445 C CA -0.857 58.080 59.018 -0.136 0.000 1.455 445 C CB 1.623 29.225 27.740 -0.231 0.000 1.834 445 C HN 0.508 nan 8.230 nan 0.000 0.460 446 Q N 0.504 120.268 119.800 -0.060 0.000 2.342 446 Q HA 0.762 5.104 4.340 0.003 0.000 0.267 446 Q C -1.333 174.654 176.000 -0.021 0.000 1.038 446 Q CA -0.478 55.318 55.803 -0.012 0.000 0.832 446 Q CB 2.549 31.289 28.738 0.002 0.000 1.323 446 Q HN 0.736 nan 8.270 nan 0.000 0.448 447 I N 2.542 123.121 120.570 0.015 0.000 2.468 447 I HA 0.185 4.356 4.170 0.003 0.000 0.285 447 I C -1.176 174.989 176.117 0.081 0.000 1.039 447 I CA -0.813 60.421 61.300 -0.110 0.000 1.074 447 I CB 1.117 38.808 38.000 -0.515 0.000 1.228 447 I HN 0.638 nan 8.210 nan 0.000 0.436 448 Y N 5.164 125.526 120.300 0.104 0.000 3.168 448 Y HA -0.246 4.305 4.550 0.002 0.000 0.207 448 Y C 1.474 177.358 175.900 -0.025 0.000 1.280 448 Y CA 1.066 59.203 58.100 0.063 0.000 1.235 448 Y CB -1.981 36.515 38.460 0.059 0.000 1.370 448 Y HN 0.991 nan 8.280 nan 0.000 0.537 449 G N -1.979 106.922 108.800 0.169 0.000 2.284 449 G HA2 -0.085 3.876 3.960 0.003 0.000 0.261 449 G HA3 -0.085 3.876 3.960 0.003 0.000 0.261 449 G C 0.541 175.493 174.900 0.088 0.000 0.997 449 G CA 0.329 45.491 45.100 0.104 0.000 0.621 449 G HN 1.633 nan 8.290 nan 0.000 0.534 450 A N -0.433 122.448 122.820 0.101 0.000 2.327 450 A HA 0.612 4.934 4.320 0.003 0.000 0.283 450 A C 0.725 178.165 177.584 -0.239 0.000 1.127 450 A CA 0.483 52.472 52.037 -0.081 0.000 0.810 450 A CB 0.836 19.763 19.000 -0.122 0.000 1.066 450 A HN 1.579 nan 8.150 nan 0.000 0.492 451 C N 2.777 121.886 119.300 -0.317 0.000 2.369 451 C HA 0.740 5.201 4.460 0.003 0.000 0.358 451 C C -0.986 173.667 174.990 -0.562 0.000 1.274 451 C CA -0.428 58.444 59.018 -0.243 0.000 1.935 451 C CB -1.395 26.345 27.740 0.000 0.000 2.431 451 C HN 0.645 nan 8.230 nan 0.000 0.545 452 Y N 2.991 123.151 120.300 -0.233 0.000 2.462 452 Y HA 0.460 5.012 4.550 0.003 0.000 0.346 452 Y C 0.387 176.179 175.900 -0.180 0.000 0.976 452 Y CA -0.322 57.586 58.100 -0.320 0.000 1.044 452 Y CB 1.903 40.072 38.460 -0.486 0.000 1.230 452 Y HN 0.611 nan 8.280 nan 0.000 0.455 453 S N 4.091 119.798 115.700 0.010 0.000 2.422 453 S HA 0.757 5.228 4.470 0.003 0.000 0.308 453 S C -0.922 173.718 174.600 0.065 0.000 1.097 453 S CA -0.287 57.950 58.200 0.061 0.000 1.099 453 S CB -0.316 62.950 63.200 0.110 0.000 0.976 453 S HN 0.536 nan 8.310 nan 0.000 0.471 454 I N 3.461 124.055 120.570 0.039 0.000 2.730 454 I HA 0.384 4.555 4.170 0.003 0.000 0.298 454 I C -0.425 175.714 176.117 0.037 0.000 1.089 454 I CA -0.751 60.582 61.300 0.054 0.000 1.041 454 I CB 2.406 40.436 38.000 0.050 0.000 1.235 454 I HN 0.526 nan 8.210 nan 0.000 0.423 455 E N 5.787 126.023 120.200 0.060 0.000 2.167 455 E HA 0.200 4.552 4.350 0.003 0.000 0.284 455 E C -1.891 174.758 176.600 0.082 0.000 1.016 455 E CA -1.566 54.871 56.400 0.062 0.000 0.817 455 E CB 1.253 30.993 29.700 0.066 0.000 1.080 455 E HN 0.297 nan 8.360 nan 0.000 0.397 456 P HA -0.207 nan 4.420 nan 0.000 0.217 456 P C 1.034 178.476 177.300 0.238 0.000 1.148 456 P CA 1.124 64.292 63.100 0.114 0.000 0.834 456 P CB 0.225 31.927 31.700 0.004 0.000 0.783 457 L N -0.928 120.410 121.223 0.193 0.000 2.353 457 L HA -0.141 4.201 4.340 0.003 0.000 0.220 457 L C 1.404 178.369 176.870 0.158 0.000 1.133 457 L CA 1.189 56.157 54.840 0.213 0.000 0.798 457 L CB -0.577 41.570 42.059 0.147 0.000 0.922 457 L HN 0.010 nan 8.230 nan 0.000 0.445 458 D N -0.496 119.982 120.400 0.130 0.000 2.348 458 D HA -0.009 4.632 4.640 0.003 0.000 0.211 458 D C 2.291 178.652 176.300 0.102 0.000 0.998 458 D CA 0.282 54.333 54.000 0.085 0.000 0.873 458 D CB 0.308 41.145 40.800 0.061 0.000 0.925 458 D HN 0.289 nan 8.370 nan 0.000 0.524 459 L N 1.085 122.414 121.223 0.177 0.000 2.021 459 L HA -0.204 4.138 4.340 0.003 0.000 0.215 459 L C -0.442 176.535 176.870 0.179 0.000 1.074 459 L CA 1.738 56.703 54.840 0.208 0.000 0.760 459 L CB -1.592 40.667 42.059 0.334 0.000 0.889 459 L HN 0.059 nan 8.230 nan 0.000 0.433 460 P HA -0.198 nan 4.420 nan 0.000 0.215 460 P C 1.501 178.853 177.300 0.087 0.000 1.157 460 P CA 1.371 64.506 63.100 0.058 0.000 0.868 460 P CB 0.026 31.605 31.700 -0.200 0.000 0.788 461 Q N -0.900 118.896 119.800 -0.007 0.000 2.046 461 Q HA -0.119 4.223 4.340 0.003 0.000 0.200 461 Q C 2.239 178.232 176.000 -0.013 0.000 0.975 461 Q CA 1.238 57.022 55.803 -0.031 0.000 0.836 461 Q CB -0.649 28.053 28.738 -0.060 0.000 0.896 461 Q HN 0.257 nan 8.270 nan 0.000 0.428 462 I N 0.618 121.184 120.570 -0.006 0.000 2.163 462 I HA -0.325 3.846 4.170 0.003 0.000 0.243 462 I C 2.233 178.356 176.117 0.010 0.000 1.085 462 I CA 1.309 62.580 61.300 -0.048 0.000 1.347 462 I CB -0.320 37.692 38.000 0.019 0.000 1.044 462 I HN 0.220 nan 8.210 nan 0.000 0.408 463 I N 0.486 121.128 120.570 0.120 0.000 2.226 463 I HA -0.312 3.860 4.170 0.003 0.000 0.245 463 I C 2.653 178.786 176.117 0.028 0.000 1.100 463 I CA 1.596 62.983 61.300 0.144 0.000 1.374 463 I CB -0.422 37.686 38.000 0.179 0.000 1.057 463 I HN 0.322 nan 8.210 nan 0.000 0.413 464 E N 1.049 121.300 120.200 0.086 0.000 2.077 464 E HA -0.243 4.109 4.350 0.003 0.000 0.193 464 E C 2.401 178.986 176.600 -0.024 0.000 0.989 464 E CA 1.040 57.469 56.400 0.050 0.000 0.800 464 E CB 0.087 29.882 29.700 0.159 0.000 0.746 464 E HN 0.245 nan 8.360 nan 0.000 0.452 465 R N 0.198 120.666 120.500 -0.055 0.000 2.081 465 R HA -0.086 4.256 4.340 0.003 0.000 0.235 465 R C 2.466 178.685 176.300 -0.135 0.000 1.131 465 R CA 1.067 57.105 56.100 -0.102 0.000 0.960 465 R CB -0.514 29.692 30.300 -0.157 0.000 0.856 465 R HN 0.366 nan 8.270 nan 0.000 0.436 466 L N -0.971 120.141 121.223 -0.186 0.000 2.168 466 L HA -0.032 4.310 4.340 0.003 0.000 0.203 466 L C 1.843 178.429 176.870 -0.474 0.000 1.078 466 L CA 0.896 55.532 54.840 -0.341 0.000 0.780 466 L CB -0.307 41.485 42.059 -0.445 0.000 0.939 466 L HN 0.228 nan 8.230 nan 0.000 0.451 467 H N -0.520 118.476 119.070 -0.123 0.000 2.827 467 H HA 0.315 4.872 4.556 0.002 0.000 0.269 467 H C 0.918 176.153 175.328 -0.153 0.000 1.031 467 H CA 0.719 56.679 56.048 -0.147 0.000 1.202 467 H CB 0.845 30.489 29.762 -0.197 0.000 1.511 467 H HN 0.292 nan 8.280 nan 0.000 0.517 468 G N 1.036 109.806 108.800 -0.051 0.000 2.758 468 G HA2 -0.239 3.722 3.960 0.003 0.000 0.686 468 G HA3 -0.239 3.722 3.960 0.003 0.000 0.686 468 G C 0.679 175.523 174.900 -0.094 0.000 1.389 468 G CA -0.189 44.884 45.100 -0.046 0.000 0.845 468 G HN 0.255 nan 8.290 nan 0.000 0.572 469 L N 1.054 122.280 121.223 0.004 0.000 2.353 469 L HA -0.100 4.242 4.340 0.003 0.000 0.220 469 L C 3.137 180.013 176.870 0.010 0.000 1.133 469 L CA 2.016 56.915 54.840 0.099 0.000 0.798 469 L CB -0.467 41.722 42.059 0.217 0.000 0.922 469 L HN 0.906 nan 8.230 nan 0.000 0.445 470 S N -0.130 115.539 115.700 -0.051 0.000 2.442 470 S HA -0.149 4.322 4.470 0.003 0.000 0.236 470 S C 2.100 176.606 174.600 -0.157 0.000 1.007 470 S CA 0.755 58.914 58.200 -0.068 0.000 0.965 470 S CB -0.301 62.855 63.200 -0.075 0.000 0.773 470 S HN 0.372 nan 8.310 nan 0.000 0.504 471 A N 0.680 123.312 122.820 -0.314 0.000 2.070 471 A HA 0.160 4.482 4.320 0.003 0.000 0.220 471 A C 1.456 178.827 177.584 -0.355 0.000 1.159 471 A CA 0.945 52.719 52.037 -0.439 0.000 0.656 471 A CB -0.800 17.833 19.000 -0.612 0.000 0.800 471 A HN 0.594 nan 8.150 nan 0.000 0.453 472 F N -0.209 119.760 119.950 0.030 0.000 2.727 472 F HA 0.131 4.660 4.527 0.003 0.000 0.302 472 F C 1.883 177.731 175.800 0.080 0.000 1.097 472 F CA 0.487 58.530 58.000 0.073 0.000 1.330 472 F CB 0.066 39.134 39.000 0.114 0.000 1.084 472 F HN 0.260 nan 8.300 nan 0.000 0.578 473 S N -1.407 114.393 115.700 0.167 0.000 2.780 473 S HA 0.302 4.773 4.470 0.003 0.000 0.248 473 S C 0.144 174.806 174.600 0.103 0.000 1.036 473 S CA -0.338 57.957 58.200 0.158 0.000 1.061 473 S CB -0.522 62.761 63.200 0.138 0.000 1.037 473 S HN 0.050 nan 8.310 nan 0.000 0.584 474 L N 3.359 124.549 121.223 -0.055 0.000 2.485 474 L HA 0.371 4.713 4.340 0.003 0.000 0.275 474 L C 0.571 177.329 176.870 -0.187 0.000 1.207 474 L CA 0.271 54.936 54.840 -0.292 0.000 0.855 474 L CB -0.066 41.675 42.059 -0.530 0.000 1.114 474 L HN 0.673 nan 8.230 nan 0.000 0.485 475 H N -1.553 117.314 119.070 -0.338 0.000 2.902 475 H HA 0.338 4.895 4.556 0.002 0.000 0.297 475 H C -0.289 174.938 175.328 -0.168 0.000 1.406 475 H CA -0.824 55.132 56.048 -0.154 0.000 1.134 475 H CB 0.951 30.721 29.762 0.015 0.000 1.833 475 H HN 0.372 nan 8.280 nan 0.000 0.527 476 S N -0.612 115.206 115.700 0.197 0.000 3.711 476 S HA -0.225 4.246 4.470 0.003 0.000 0.374 476 S C -0.578 174.076 174.600 0.089 0.000 0.969 476 S CA 0.479 58.789 58.200 0.183 0.000 1.198 476 S CB -2.415 60.911 63.200 0.211 0.000 0.903 476 S HN 0.531 nan 8.310 nan 0.000 0.493 477 Y N 1.973 122.313 120.300 0.066 0.000 2.385 477 Y HA 0.286 4.838 4.550 0.004 0.000 0.346 477 Y C 1.419 177.365 175.900 0.078 0.000 1.270 477 Y CA 0.443 58.576 58.100 0.055 0.000 1.472 477 Y CB 0.345 38.830 38.460 0.041 0.000 1.354 477 Y HN 0.509 nan 8.280 nan 0.000 0.611 478 S N 1.525 117.370 115.700 0.242 0.000 2.579 478 S HA 0.094 4.566 4.470 0.003 0.000 0.275 478 S C -1.989 172.693 174.600 0.137 0.000 1.345 478 S CA -1.036 57.253 58.200 0.148 0.000 1.031 478 S CB 1.120 64.383 63.200 0.104 0.000 0.892 478 S HN 0.445 nan 8.310 nan 0.000 0.529 479 P HA 0.005 nan 4.420 nan 0.000 0.215 479 P C 1.769 179.108 177.300 0.065 0.000 1.157 479 P CA 1.675 64.821 63.100 0.077 0.000 0.868 479 P CB -0.464 31.272 31.700 0.060 0.000 0.788 480 G N -0.186 108.647 108.800 0.056 0.000 2.418 480 G HA2 -0.291 3.671 3.960 0.003 0.000 0.217 480 G HA3 -0.291 3.671 3.960 0.003 0.000 0.217 480 G C 1.672 176.600 174.900 0.046 0.000 1.158 480 G CA 0.955 46.080 45.100 0.040 0.000 0.771 480 G HN 0.252 nan 8.290 nan 0.000 0.545 481 E N 0.717 120.963 120.200 0.076 0.000 2.051 481 E HA -0.063 4.289 4.350 0.003 0.000 0.192 481 E C 2.465 179.107 176.600 0.069 0.000 0.991 481 E CA 0.848 57.306 56.400 0.097 0.000 0.799 481 E CB -0.424 29.390 29.700 0.190 0.000 0.748 481 E HN 0.494 nan 8.360 nan 0.000 0.449 482 I N 0.887 121.501 120.570 0.074 0.000 2.208 482 I HA -0.286 3.885 4.170 0.003 0.000 0.245 482 I C 1.897 178.031 176.117 0.029 0.000 1.097 482 I CA 1.136 62.461 61.300 0.041 0.000 1.363 482 I CB -0.425 37.613 38.000 0.064 0.000 1.051 482 I HN 0.175 nan 8.210 nan 0.000 0.413 483 N N 0.623 119.343 118.700 0.034 0.000 2.309 483 N HA -0.169 4.573 4.740 0.003 0.000 0.182 483 N C 1.895 177.410 175.510 0.008 0.000 1.018 483 N CA 0.917 53.981 53.050 0.023 0.000 0.876 483 N CB -0.303 38.199 38.487 0.025 0.000 0.972 483 N HN 0.394 nan 8.380 nan 0.000 0.434 484 R N 0.915 121.416 120.500 0.001 0.000 2.073 484 R HA 0.002 4.343 4.340 0.003 0.000 0.229 484 R C 1.883 178.154 176.300 -0.049 0.000 1.120 484 R CA 0.809 56.893 56.100 -0.026 0.000 0.967 484 R CB -0.046 30.233 30.300 -0.035 0.000 0.862 484 R HN -0.082 nan 8.270 nan 0.000 0.436 485 V N 1.188 121.080 119.914 -0.038 0.000 2.307 485 V HA -0.197 3.925 4.120 0.003 0.000 0.245 485 V C 2.508 178.585 176.094 -0.029 0.000 1.045 485 V CA 1.896 64.163 62.300 -0.054 0.000 1.024 485 V CB -0.798 31.017 31.823 -0.013 0.000 0.651 485 V HN 0.544 nan 8.190 nan 0.000 0.449 486 A N -0.090 122.729 122.820 -0.002 0.000 1.883 486 A HA -0.244 4.078 4.320 0.003 0.000 0.217 486 A C 2.492 180.083 177.584 0.013 0.000 1.186 486 A CA 2.499 54.547 52.037 0.018 0.000 0.624 486 A CB -0.867 18.150 19.000 0.028 0.000 0.822 486 A HN 0.512 nan 8.150 nan 0.000 0.444 487 S N -1.284 114.418 115.700 0.004 0.000 2.382 487 S HA -0.218 4.254 4.470 0.003 0.000 0.228 487 S C 2.044 176.642 174.600 -0.004 0.000 1.027 487 S CA 1.275 59.477 58.200 0.005 0.000 0.991 487 S CB -0.930 62.270 63.200 0.000 0.000 0.823 487 S HN 0.806 nan 8.310 nan 0.000 0.469 488 C N 1.941 121.223 119.300 -0.029 0.000 2.429 488 C HA 0.040 4.502 4.460 0.003 0.000 0.277 488 C C 2.404 177.377 174.990 -0.028 0.000 1.262 488 C CA 0.439 59.429 59.018 -0.046 0.000 1.733 488 C CB -1.606 26.069 27.740 -0.108 0.000 2.010 488 C HN 0.564 nan 8.230 nan 0.000 0.483 489 L N 0.328 121.542 121.223 -0.016 0.000 2.046 489 L HA -0.108 4.234 4.340 0.003 0.000 0.208 489 L C 3.075 179.947 176.870 0.004 0.000 1.077 489 L CA 1.666 56.511 54.840 0.009 0.000 0.747 489 L CB -0.834 41.259 42.059 0.056 0.000 0.896 489 L HN 0.361 nan 8.230 nan 0.000 0.432 490 R N 0.326 120.837 120.500 0.018 0.000 2.073 490 R HA -0.203 4.139 4.340 0.003 0.000 0.234 490 R C 2.361 178.688 176.300 0.044 0.000 1.134 490 R CA 1.529 57.646 56.100 0.029 0.000 0.952 490 R CB -0.301 30.025 30.300 0.044 0.000 0.850 490 R HN 0.283 nan 8.270 nan 0.000 0.433 491 K N 0.749 121.180 120.400 0.052 0.000 2.032 491 K HA -0.169 4.152 4.320 0.003 0.000 0.209 491 K C 1.578 178.264 176.600 0.143 0.000 1.048 491 K CA 1.429 57.776 56.287 0.099 0.000 0.927 491 K CB 0.015 32.551 32.500 0.059 0.000 0.712 491 K HN 0.009 nan 8.250 nan 0.000 0.441 492 L N -0.051 121.186 121.223 0.022 0.000 2.554 492 L HA 0.184 4.526 4.340 0.003 0.000 0.226 492 L C 1.051 177.719 176.870 -0.336 0.000 1.137 492 L CA 1.158 55.987 54.840 -0.019 0.000 0.863 492 L CB 0.135 42.194 42.059 -0.001 0.000 0.985 492 L HN 0.520 nan 8.230 nan 0.000 0.451 493 G N -0.213 108.261 108.800 -0.543 0.000 2.212 493 G HA2 -0.208 3.753 3.960 0.003 0.000 0.255 493 G HA3 -0.208 3.753 3.960 0.003 0.000 0.255 493 G C -0.009 174.758 174.900 -0.221 0.000 1.062 493 G CA 0.107 44.782 45.100 -0.709 0.000 0.815 493 G HN 0.099 nan 8.290 nan 0.000 0.497 494 V N 0.801 120.672 119.914 -0.072 0.000 2.439 494 V HA 0.445 4.566 4.120 0.003 0.000 0.282 494 V C -1.314 174.875 176.094 0.159 0.000 1.039 494 V CA -1.716 60.639 62.300 0.091 0.000 0.913 494 V CB 1.662 33.562 31.823 0.129 0.000 0.983 494 V HN 0.159 nan 8.190 nan 0.000 0.460 495 P HA 0.054 nan 4.420 nan 0.000 0.264 495 P C -2.392 175.048 177.300 0.233 0.000 1.179 495 P CA -0.489 62.656 63.100 0.076 0.000 0.763 495 P CB -0.158 31.411 31.700 -0.218 0.000 0.806 496 P HA 0.012 nan 4.420 nan 0.000 0.271 496 P C 0.898 178.381 177.300 0.305 0.000 1.233 496 P CA 0.078 63.289 63.100 0.185 0.000 0.789 496 P CB 0.753 32.516 31.700 0.106 0.000 0.951 497 L N 0.947 122.346 121.223 0.293 0.000 2.081 497 L HA -0.232 4.109 4.340 0.003 0.000 0.212 497 L C 2.924 179.955 176.870 0.270 0.000 1.080 497 L CA 1.955 56.991 54.840 0.326 0.000 0.754 497 L CB -0.882 41.267 42.059 0.149 0.000 0.893 497 L HN 0.493 nan 8.230 nan 0.000 0.433 498 R N -0.167 120.433 120.500 0.166 0.000 2.105 498 R HA -0.128 4.214 4.340 0.003 0.000 0.239 498 R C 1.974 178.340 176.300 0.111 0.000 1.135 498 R CA 1.604 57.769 56.100 0.109 0.000 0.967 498 R CB -1.079 29.285 30.300 0.107 0.000 0.861 498 R HN 0.174 nan 8.270 nan 0.000 0.442 499 V N 0.468 120.439 119.914 0.095 0.000 2.427 499 V HA -0.173 3.949 4.120 0.003 0.000 0.248 499 V C 1.907 177.954 176.094 -0.077 0.000 1.051 499 V CA 1.715 64.011 62.300 -0.007 0.000 1.048 499 V CB -0.646 31.050 31.823 -0.213 0.000 0.666 499 V HN 0.382 nan 8.190 nan 0.000 0.456 500 W N 0.160 121.546 121.300 0.144 0.000 2.402 500 W HA -0.106 4.555 4.660 0.003 0.000 0.286 500 W C 2.703 179.382 176.519 0.267 0.000 1.221 500 W CA 1.462 58.925 57.345 0.197 0.000 1.257 500 W CB -0.262 29.313 29.460 0.192 0.000 1.120 500 W HN 0.066 nan 8.180 nan 0.000 0.551 501 R N -0.346 120.389 120.500 0.392 0.000 2.081 501 R HA -0.186 4.156 4.340 0.003 0.000 0.235 501 R C 2.096 178.405 176.300 0.015 0.000 1.131 501 R CA 1.799 58.067 56.100 0.279 0.000 0.960 501 R CB -0.613 29.747 30.300 0.099 0.000 0.856 501 R HN 0.232 nan 8.270 nan 0.000 0.436 502 H N 0.044 119.170 119.070 0.094 0.000 2.357 502 H HA -0.027 4.531 4.556 0.003 0.000 0.301 502 H C 2.187 177.499 175.328 -0.027 0.000 1.082 502 H CA 1.432 57.483 56.048 0.005 0.000 1.342 502 H CB -0.038 29.712 29.762 -0.021 0.000 1.389 502 H HN 0.256 nan 8.280 nan 0.000 0.511 503 R N 0.430 120.991 120.500 0.101 0.000 2.081 503 R HA -0.041 4.300 4.340 0.003 0.000 0.235 503 R C 2.539 178.843 176.300 0.005 0.000 1.131 503 R CA 1.014 57.135 56.100 0.034 0.000 0.960 503 R CB -0.194 30.112 30.300 0.010 0.000 0.856 503 R HN 0.208 nan 8.270 nan 0.000 0.436 504 A N 1.328 124.182 122.820 0.056 0.000 1.902 504 A HA -0.174 4.148 4.320 0.003 0.000 0.217 504 A C 2.073 179.432 177.584 -0.375 0.000 1.181 504 A CA 1.212 53.144 52.037 -0.176 0.000 0.623 504 A CB -0.367 18.604 19.000 -0.048 0.000 0.818 504 A HN 0.223 nan 8.150 nan 0.000 0.443 505 R N -0.691 119.672 120.500 -0.229 0.000 2.105 505 R HA -0.111 4.231 4.340 0.003 0.000 0.239 505 R C 2.585 178.773 176.300 -0.185 0.000 1.135 505 R CA 1.475 57.452 56.100 -0.206 0.000 0.967 505 R CB -0.355 29.884 30.300 -0.102 0.000 0.861 505 R HN 0.558 nan 8.270 nan 0.000 0.442 506 S N 0.065 115.677 115.700 -0.148 0.000 2.371 506 S HA -0.061 4.410 4.470 0.003 0.000 0.224 506 S C 1.997 176.495 174.600 -0.171 0.000 1.029 506 S CA 0.886 59.011 58.200 -0.125 0.000 0.978 506 S CB 0.006 63.157 63.200 -0.082 0.000 0.833 506 S HN 0.100 nan 8.310 nan 0.000 0.466 507 V N 2.508 122.270 119.914 -0.253 0.000 2.343 507 V HA -0.121 4.000 4.120 0.003 0.000 0.247 507 V C 2.678 178.546 176.094 -0.376 0.000 1.051 507 V CA 2.165 64.282 62.300 -0.304 0.000 1.036 507 V CB -0.807 30.760 31.823 -0.426 0.000 0.654 507 V HN 0.491 nan 8.190 nan 0.000 0.451 508 R N 0.376 120.555 120.500 -0.535 0.000 2.083 508 R HA -0.190 4.152 4.340 0.003 0.000 0.237 508 R C 2.328 178.522 176.300 -0.178 0.000 1.137 508 R CA 1.821 57.698 56.100 -0.371 0.000 0.951 508 R CB -0.514 29.582 30.300 -0.340 0.000 0.851 508 R HN 0.465 nan 8.270 nan 0.000 0.434 509 A N 1.209 123.933 122.820 -0.159 0.000 1.865 509 A HA -0.208 4.113 4.320 0.003 0.000 0.217 509 A C 2.228 179.770 177.584 -0.069 0.000 1.191 509 A CA 1.796 53.775 52.037 -0.097 0.000 0.623 509 A CB -0.546 18.402 19.000 -0.087 0.000 0.826 509 A HN 0.411 nan 8.150 nan 0.000 0.444 510 R N -0.631 119.825 120.500 -0.073 0.000 2.105 510 R HA -0.052 4.290 4.340 0.003 0.000 0.239 510 R C 2.074 178.366 176.300 -0.013 0.000 1.135 510 R CA 1.478 57.554 56.100 -0.039 0.000 0.967 510 R CB -0.500 29.777 30.300 -0.037 0.000 0.861 510 R HN 0.530 nan 8.270 nan 0.000 0.442 511 L N 0.263 121.476 121.223 -0.016 0.000 2.056 511 L HA -0.159 4.183 4.340 0.003 0.000 0.207 511 L C 2.266 179.149 176.870 0.021 0.000 1.078 511 L CA 1.103 55.961 54.840 0.030 0.000 0.749 511 L CB -0.353 41.733 42.059 0.046 0.000 0.901 511 L HN 0.203 nan 8.230 nan 0.000 0.433 512 L N -1.037 120.183 121.223 -0.005 0.000 2.083 512 L HA -0.231 4.111 4.340 0.003 0.000 0.209 512 L C 2.774 179.644 176.870 -0.000 0.000 1.083 512 L CA 1.242 56.079 54.840 -0.004 0.000 0.752 512 L CB -0.562 41.483 42.059 -0.024 0.000 0.899 512 L HN 0.254 nan 8.230 nan 0.000 0.433 513 S N -0.493 115.204 115.700 -0.005 0.000 2.440 513 S HA -0.205 4.266 4.470 0.003 0.000 0.238 513 S C 1.764 176.369 174.600 0.008 0.000 1.010 513 S CA 1.273 59.471 58.200 -0.002 0.000 0.972 513 S CB -0.052 63.143 63.200 -0.007 0.000 0.774 513 S HN 0.522 nan 8.310 nan 0.000 0.501 514 Q N 0.121 119.932 119.800 0.019 0.000 2.356 514 Q HA 0.291 4.633 4.340 0.003 0.000 0.205 514 Q C 1.320 177.338 176.000 0.029 0.000 0.901 514 Q CA 0.164 55.984 55.803 0.027 0.000 0.938 514 Q CB 0.272 29.035 28.738 0.041 0.000 1.081 514 Q HN 0.589 nan 8.270 nan 0.000 0.517 515 G N 0.916 109.731 108.800 0.026 0.000 2.668 515 G HA2 -0.202 3.760 3.960 0.003 0.000 0.266 515 G HA3 -0.202 3.760 3.960 0.003 0.000 0.266 515 G C 0.528 175.449 174.900 0.034 0.000 1.328 515 G CA -0.062 45.053 45.100 0.026 0.000 0.911 515 G HN 0.747 nan 8.290 nan 0.000 0.567 516 G N -1.264 107.554 108.800 0.030 0.000 2.566 516 G HA2 -0.193 3.769 3.960 0.003 0.000 0.280 516 G HA3 -0.193 3.769 3.960 0.003 0.000 0.280 516 G C 0.965 175.888 174.900 0.038 0.000 1.225 516 G CA 1.409 46.528 45.100 0.032 0.000 0.966 516 G HN 1.513 nan 8.290 nan 0.000 0.560 517 R N 0.400 120.926 120.500 0.043 0.000 2.115 517 R HA 0.304 4.646 4.340 0.003 0.000 0.226 517 R C 3.207 179.551 176.300 0.075 0.000 1.100 517 R CA 1.982 58.110 56.100 0.048 0.000 0.980 517 R CB -0.576 29.756 30.300 0.054 0.000 0.875 517 R HN 0.738 nan 8.270 nan 0.000 0.445 518 A N 1.234 124.110 122.820 0.092 0.000 1.883 518 A HA -0.152 4.170 4.320 0.003 0.000 0.217 518 A C 2.355 179.994 177.584 0.091 0.000 1.186 518 A CA 1.809 53.920 52.037 0.123 0.000 0.624 518 A CB -0.863 18.206 19.000 0.116 0.000 0.822 518 A HN 0.382 nan 8.150 nan 0.000 0.444 519 A N -1.287 121.571 122.820 0.063 0.000 1.972 519 A HA -0.064 4.258 4.320 0.003 0.000 0.219 519 A C 2.246 179.865 177.584 0.058 0.000 1.169 519 A CA 2.199 54.264 52.037 0.048 0.000 0.635 519 A CB -1.123 17.898 19.000 0.035 0.000 0.810 519 A HN 0.437 nan 8.150 nan 0.000 0.446 520 T N -0.976 113.615 114.554 0.062 0.000 2.821 520 T HA -0.152 4.199 4.350 0.003 0.000 0.267 520 T C 1.874 176.612 174.700 0.064 0.000 1.046 520 T CA 1.495 63.644 62.100 0.081 0.000 1.139 520 T CB -0.571 68.293 68.868 -0.006 0.000 0.871 520 T HN 0.598 nan 8.240 nan 0.000 0.454 521 C N 1.304 120.617 119.300 0.023 0.000 2.446 521 C HA 0.066 4.527 4.460 0.003 0.000 0.277 521 C C 3.063 178.038 174.990 -0.025 0.000 1.275 521 C CA 0.418 59.401 59.018 -0.059 0.000 1.727 521 C CB -1.475 26.231 27.740 -0.057 0.000 2.010 521 C HN 0.708 nan 8.230 nan 0.000 0.486 522 G N 0.306 109.141 108.800 0.058 0.000 2.421 522 G HA2 -0.273 3.689 3.960 0.003 0.000 0.216 522 G HA3 -0.273 3.689 3.960 0.003 0.000 0.216 522 G C 1.634 176.570 174.900 0.061 0.000 1.171 522 G CA 1.142 46.309 45.100 0.111 0.000 0.775 522 G HN 0.628 nan 8.290 nan 0.000 0.543 523 K N -0.849 119.559 120.400 0.013 0.000 2.026 523 K HA -0.103 4.218 4.320 0.003 0.000 0.208 523 K C 2.245 178.714 176.600 -0.218 0.000 1.048 523 K CA 1.284 57.519 56.287 -0.087 0.000 0.929 523 K CB -0.274 32.181 32.500 -0.076 0.000 0.713 523 K HN 0.407 nan 8.250 nan 0.000 0.439 524 Y N 0.723 120.837 120.300 -0.310 0.000 2.231 524 Y HA 0.008 4.560 4.550 0.003 0.000 0.294 524 Y C 2.053 177.616 175.900 -0.561 0.000 1.120 524 Y CA 0.778 58.511 58.100 -0.610 0.000 1.141 524 Y CB -0.152 37.682 38.460 -1.044 0.000 1.022 524 Y HN -0.062 nan 8.280 nan 0.000 0.523 525 L N -1.720 119.326 121.223 -0.295 0.000 2.201 525 L HA -0.153 4.189 4.340 0.003 0.000 0.212 525 L C 0.735 177.333 176.870 -0.454 0.000 1.105 525 L CA 1.333 55.964 54.840 -0.349 0.000 0.775 525 L CB -0.369 41.274 42.059 -0.693 0.000 0.913 525 L HN 0.173 nan 8.230 nan 0.000 0.440 526 F N -1.495 118.370 119.950 -0.142 0.000 2.735 526 F HA 0.173 4.702 4.527 0.003 0.000 0.304 526 F C 1.580 177.033 175.800 -0.578 0.000 1.119 526 F CA -0.400 57.299 58.000 -0.502 0.000 1.280 526 F CB -0.490 38.242 39.000 -0.447 0.000 0.994 526 F HN -0.069 nan 8.300 nan 0.000 0.520 527 N N 0.991 119.595 118.700 -0.161 0.000 2.364 527 N HA -0.189 4.553 4.740 0.003 0.000 0.183 527 N C 1.979 177.457 175.510 -0.054 0.000 1.022 527 N CA 1.556 54.539 53.050 -0.112 0.000 0.883 527 N CB -0.164 38.280 38.487 -0.072 0.000 0.965 527 N HN 0.530 nan 8.380 nan 0.000 0.438 528 W N -0.638 120.708 121.300 0.076 0.000 2.425 528 W HA 0.153 4.815 4.660 0.002 0.000 0.277 528 W C 1.402 177.971 176.519 0.084 0.000 1.231 528 W CA 0.660 58.055 57.345 0.083 0.000 1.248 528 W CB -0.788 28.732 29.460 0.101 0.000 1.117 528 W HN 0.049 nan 8.180 nan 0.000 0.568 529 A N 1.720 124.128 122.820 -0.687 0.000 2.016 529 A HA 0.116 4.438 4.320 0.003 0.000 0.217 529 A C 1.262 178.700 177.584 -0.243 0.000 1.162 529 A CA 1.180 52.835 52.037 -0.638 0.000 0.662 529 A CB -0.994 17.313 19.000 -1.154 0.000 0.812 529 A HN 0.127 nan 8.150 nan 0.000 0.450 530 V N -2.350 117.445 119.914 -0.198 0.000 2.686 530 V HA 0.374 4.496 4.120 0.003 0.000 0.295 530 V C 1.057 177.118 176.094 -0.055 0.000 1.057 530 V CA -0.221 62.011 62.300 -0.114 0.000 1.012 530 V CB 1.375 33.129 31.823 -0.114 0.000 1.006 530 V HN 0.397 nan 8.190 nan 0.000 0.477 531 K N 1.703 122.080 120.400 -0.039 0.000 2.057 531 K HA -0.004 4.318 4.320 0.003 0.000 0.206 531 K C 0.836 177.419 176.600 -0.028 0.000 1.050 531 K CA 1.329 57.602 56.287 -0.022 0.000 0.935 531 K CB -0.035 32.456 32.500 -0.015 0.000 0.715 531 K HN 0.852 nan 8.250 nan 0.000 0.439 532 T N 2.520 117.052 114.554 -0.036 0.000 2.891 532 T HA 0.186 4.538 4.350 0.003 0.000 0.315 532 T C -0.773 173.898 174.700 -0.047 0.000 1.054 532 T CA -0.406 61.671 62.100 -0.038 0.000 0.958 532 T CB 0.894 69.740 68.868 -0.036 0.000 1.008 532 T HN -0.009 nan 8.240 nan 0.000 0.521 533 K N 2.813 123.187 120.400 -0.043 0.000 2.382 533 K HA 0.310 4.631 4.320 0.003 0.000 0.275 533 K C 0.163 176.726 176.600 -0.062 0.000 1.009 533 K CA -0.072 56.185 56.287 -0.050 0.000 0.970 533 K CB 0.320 32.800 32.500 -0.033 0.000 0.934 533 K HN 0.483 nan 8.250 nan 0.000 0.479 534 L N 2.012 123.182 121.223 -0.089 0.000 2.399 534 L HA 0.326 4.667 4.340 0.003 0.000 0.265 534 L C 0.563 177.364 176.870 -0.114 0.000 1.089 534 L CA -0.766 54.011 54.840 -0.107 0.000 0.802 534 L CB 1.028 42.999 42.059 -0.147 0.000 1.180 534 L HN 0.489 nan 8.230 nan 0.000 0.454 535 K N 2.603 122.943 120.400 -0.100 0.000 2.312 535 K HA 0.360 4.681 4.320 0.003 0.000 0.287 535 K C -1.083 175.436 176.600 -0.134 0.000 1.062 535 K CA -0.369 55.869 56.287 -0.082 0.000 0.934 535 K CB 0.424 32.896 32.500 -0.046 0.000 1.027 535 K HN 0.464 nan 8.250 nan 0.000 0.478 536 L N 5.199 126.342 121.223 -0.134 0.000 2.257 536 L HA 0.269 4.610 4.340 0.003 0.000 0.290 536 L C 0.408 177.291 176.870 0.021 0.000 1.044 536 L CA -0.697 54.022 54.840 -0.202 0.000 0.810 536 L CB 1.244 43.155 42.059 -0.246 0.000 1.193 536 L HN 0.763 nan 8.230 nan 0.000 0.425 537 T N 0.699 115.312 114.554 0.098 0.000 2.940 537 T HA 0.589 4.941 4.350 0.003 0.000 0.288 537 T C -2.574 172.273 174.700 0.245 0.000 1.033 537 T CA -2.385 59.805 62.100 0.149 0.000 1.033 537 T CB 1.712 70.638 68.868 0.098 0.000 1.079 537 T HN 0.171 nan 8.240 nan 0.000 0.496 538 P HA 0.180 nan 4.420 nan 0.000 0.266 538 P C -0.662 176.685 177.300 0.078 0.000 1.193 538 P CA -0.049 63.124 63.100 0.122 0.000 0.770 538 P CB 0.218 31.961 31.700 0.072 0.000 0.836 539 I N 4.759 125.328 120.570 -0.002 0.000 2.306 539 I HA 0.164 4.336 4.170 0.003 0.000 0.288 539 I C -1.403 174.686 176.117 -0.045 0.000 1.036 539 I CA -2.083 59.170 61.300 -0.078 0.000 1.221 539 I CB 1.484 39.345 38.000 -0.232 0.000 1.385 539 I HN 0.283 nan 8.210 nan 0.000 0.472 540 P HA -0.273 nan 4.420 nan 0.000 0.216 540 P C 1.538 178.819 177.300 -0.031 0.000 1.154 540 P CA 1.393 64.481 63.100 -0.019 0.000 0.865 540 P CB 0.293 31.987 31.700 -0.009 0.000 0.789 541 A N -0.377 122.419 122.820 -0.041 0.000 2.019 541 A HA -0.117 4.204 4.320 0.003 0.000 0.219 541 A C 2.284 179.835 177.584 -0.055 0.000 1.164 541 A CA 1.850 53.861 52.037 -0.044 0.000 0.644 541 A CB -1.501 17.473 19.000 -0.044 0.000 0.805 541 A HN 0.206 nan 8.150 nan 0.000 0.449 542 A N -0.137 122.645 122.820 -0.063 0.000 1.892 542 A HA -0.177 4.145 4.320 0.003 0.000 0.218 542 A C 2.421 179.959 177.584 -0.078 0.000 1.188 542 A CA 2.292 54.286 52.037 -0.071 0.000 0.631 542 A CB -1.014 17.951 19.000 -0.059 0.000 0.822 542 A HN 0.491 nan 8.150 nan 0.000 0.447 543 S N -0.298 115.366 115.700 -0.060 0.000 2.419 543 S HA -0.189 4.283 4.470 0.003 0.000 0.233 543 S C 1.870 176.431 174.600 -0.064 0.000 1.016 543 S CA 1.418 59.583 58.200 -0.059 0.000 0.974 543 S CB -0.322 62.854 63.200 -0.040 0.000 0.786 543 S HN 0.722 nan 8.310 nan 0.000 0.492 544 Q N 0.317 120.083 119.800 -0.058 0.000 2.437 544 Q HA 0.097 4.439 4.340 0.003 0.000 0.210 544 Q C 0.023 175.980 176.000 -0.072 0.000 0.972 544 Q CA 0.325 56.096 55.803 -0.054 0.000 0.903 544 Q CB -0.281 28.433 28.738 -0.040 0.000 0.967 544 Q HN 0.499 nan 8.270 nan 0.000 0.486 545 L N 1.627 122.788 121.223 -0.102 0.000 2.416 545 L HA 0.056 4.398 4.340 0.003 0.000 0.272 545 L C 0.352 177.117 176.870 -0.174 0.000 1.161 545 L CA -0.189 54.563 54.840 -0.147 0.000 0.845 545 L CB 0.396 42.329 42.059 -0.209 0.000 1.119 545 L HN -0.016 nan 8.230 nan 0.000 0.464 546 D N 3.926 124.226 120.400 -0.167 0.000 2.500 546 D HA 0.150 4.792 4.640 0.003 0.000 0.219 546 D C 0.257 176.391 176.300 -0.276 0.000 1.137 546 D CA -0.338 53.569 54.000 -0.154 0.000 0.946 546 D CB 1.008 41.768 40.800 -0.067 0.000 1.022 546 D HN 0.268 nan 8.370 nan 0.000 0.518 547 L N 2.215 123.194 121.223 -0.407 0.000 2.629 547 L HA 0.073 4.414 4.340 0.003 0.000 0.230 547 L C 0.963 177.638 176.870 -0.325 0.000 1.151 547 L CA 0.059 54.464 54.840 -0.725 0.000 0.924 547 L CB -0.548 41.023 42.059 -0.814 0.000 1.137 547 L HN 0.217 nan 8.230 nan 0.000 0.457 548 S N -0.719 114.898 115.700 -0.139 0.000 2.510 548 S HA 0.512 4.984 4.470 0.003 0.000 0.279 548 S C 1.276 175.901 174.600 0.041 0.000 1.284 548 S CA 0.107 58.291 58.200 -0.026 0.000 1.059 548 S CB 0.971 64.163 63.200 -0.014 0.000 0.901 548 S HN 0.524 nan 8.310 nan 0.000 0.491 549 G N 2.650 111.496 108.800 0.076 0.000 2.218 549 G HA2 -0.225 3.736 3.960 0.003 0.000 0.216 549 G HA3 -0.225 3.736 3.960 0.003 0.000 0.216 549 G C 0.491 175.455 174.900 0.108 0.000 0.994 549 G CA 0.084 45.233 45.100 0.082 0.000 0.637 549 G HN 0.650 nan 8.290 nan 0.000 0.505 550 W N 0.418 121.551 121.300 -0.278 0.000 2.379 550 W HA 0.441 5.103 4.660 0.003 0.000 0.307 550 W C 1.112 177.178 176.519 -0.755 0.000 1.200 550 W CA 1.344 58.301 57.345 -0.646 0.000 1.297 550 W CB -0.299 28.570 29.460 -0.985 0.000 1.140 550 W HN 0.182 nan 8.180 nan 0.000 0.507 551 F N -0.577 119.520 119.950 0.244 0.000 2.471 551 F HA 0.308 4.837 4.527 0.003 0.000 0.318 551 F C 0.556 176.476 175.800 0.200 0.000 1.308 551 F CA -0.537 57.610 58.000 0.245 0.000 1.162 551 F CB -0.107 39.003 39.000 0.182 0.000 1.383 551 F HN -0.391 nan 8.300 nan 0.000 0.552 552 V N -0.027 120.067 119.914 0.301 0.000 3.090 552 V HA 0.617 4.739 4.120 0.003 0.000 0.237 552 V C 0.844 177.076 176.094 0.230 0.000 1.209 552 V CA 0.662 63.090 62.300 0.212 0.000 1.209 552 V CB 0.557 32.474 31.823 0.156 0.000 0.971 552 V HN 0.416 nan 8.190 nan 0.000 0.477 553 A N -0.742 122.165 122.820 0.146 0.000 2.602 553 A HA 0.777 5.099 4.320 0.003 0.000 0.290 553 A C -0.290 176.959 177.584 -0.558 0.000 1.114 553 A CA 0.088 52.085 52.037 -0.067 0.000 0.683 553 A CB 1.029 19.863 19.000 -0.278 0.000 1.281 553 A HN 0.382 nan 8.150 nan 0.000 0.416 554 G N -1.350 106.830 108.800 -1.034 0.000 2.400 554 G HA2 0.537 4.498 3.960 0.003 0.000 0.301 554 G HA3 0.537 4.498 3.960 0.003 0.000 0.301 554 G C -0.832 173.425 174.900 -1.072 0.000 1.154 554 G CA -0.064 44.091 45.100 -1.576 0.000 0.852 554 G HN 0.603 nan 8.290 nan 0.000 0.511 555 Y N 0.567 120.686 120.300 -0.302 0.000 2.779 555 Y HA 0.280 4.832 4.550 0.003 0.000 0.251 555 Y C 1.436 177.289 175.900 -0.078 0.000 1.145 555 Y CA -0.839 57.190 58.100 -0.118 0.000 1.201 555 Y CB 0.419 38.864 38.460 -0.025 0.000 1.281 555 Y HN 0.516 nan 8.280 nan 0.000 0.563 556 S N 0.992 116.686 115.700 -0.011 0.000 2.885 556 S HA 0.249 4.720 4.470 0.003 0.000 0.334 556 S C 1.497 176.134 174.600 0.061 0.000 1.224 556 S CA 1.576 59.796 58.200 0.034 0.000 1.080 556 S CB -0.235 62.980 63.200 0.026 0.000 0.801 556 S HN 1.073 nan 8.310 nan 0.000 0.510 557 G N 3.666 112.505 108.800 0.064 0.000 2.179 557 G HA2 -0.233 3.729 3.960 0.003 0.000 0.260 557 G HA3 -0.233 3.729 3.960 0.003 0.000 0.260 557 G C 0.867 175.814 174.900 0.078 0.000 0.977 557 G CA 0.339 45.479 45.100 0.067 0.000 0.641 557 G HN 1.424 nan 8.290 nan 0.000 0.533 558 G N -0.006 108.853 108.800 0.099 0.000 2.920 558 G HA2 0.358 4.320 3.960 0.003 0.000 0.208 558 G HA3 0.358 4.320 3.960 0.003 0.000 0.208 558 G C 0.531 175.472 174.900 0.067 0.000 1.159 558 G CA 1.182 46.355 45.100 0.122 0.000 0.784 558 G HN 1.286 nan 8.290 nan 0.000 0.535 559 D N -0.531 119.878 120.400 0.015 0.000 2.705 559 D HA -0.165 4.477 4.640 0.003 0.000 0.240 559 D C -0.105 176.148 176.300 -0.078 0.000 1.137 559 D CA 0.354 54.334 54.000 -0.035 0.000 0.677 559 D CB -1.201 39.587 40.800 -0.021 0.000 1.049 559 D HN 0.110 nan 8.370 nan 0.000 0.427 560 I N 1.335 121.840 120.570 -0.107 0.000 2.441 560 I HA 0.432 4.604 4.170 0.003 0.000 0.295 560 I C 0.052 176.032 176.117 -0.229 0.000 0.994 560 I CA -0.759 60.399 61.300 -0.237 0.000 1.144 560 I CB 1.275 39.049 38.000 -0.376 0.000 1.314 560 I HN 0.136 nan 8.210 nan 0.000 0.445 561 Y N 5.023 125.023 120.300 -0.499 0.000 2.512 561 Y HA 0.466 5.018 4.550 0.003 0.000 0.348 561 Y C -0.371 175.102 175.900 -0.710 0.000 0.990 561 Y CA -0.192 57.615 58.100 -0.488 0.000 1.033 561 Y CB 1.996 40.248 38.460 -0.347 0.000 1.259 561 Y HN 0.674 nan 8.280 nan 0.000 0.461 562 H N 1.174 119.498 119.070 -1.244 0.000 1.985 562 H HA 0.272 4.830 4.556 0.003 0.000 0.159 562 H C -0.432 174.366 175.328 -0.883 0.000 1.010 562 H CA 0.742 56.270 56.048 -0.868 0.000 1.075 562 H CB 0.454 29.861 29.762 -0.591 0.000 0.963 562 H HN 0.580 nan 8.280 nan 0.000 0.330 563 S N 0.619 115.977 115.700 -0.571 0.000 2.862 563 S HA -0.160 4.312 4.470 0.003 0.000 0.843 563 S C -0.532 174.108 174.600 0.067 0.000 0.808 563 S CA -0.210 57.853 58.200 -0.229 0.000 1.515 563 S CB -1.529 61.517 63.200 -0.257 0.000 1.082 563 S HN 0.556 nan 8.310 nan 0.000 0.447 564 L N 3.377 124.724 121.223 0.207 0.000 2.615 564 L HA 0.474 4.815 4.340 0.003 0.000 0.284 564 L C 0.337 177.280 176.870 0.121 0.000 1.237 564 L CA 1.535 56.522 54.840 0.245 0.000 0.905 564 L CB 0.235 42.454 42.059 0.268 0.000 1.149 564 L HN 0.892 nan 8.230 nan 0.000 0.499 565 S N 5.187 120.942 115.700 0.092 0.000 2.521 565 S HA 0.610 5.082 4.470 0.003 0.000 0.295 565 S C -0.295 174.309 174.600 0.008 0.000 1.098 565 S CA -0.782 57.445 58.200 0.044 0.000 0.999 565 S CB 1.935 65.161 63.200 0.043 0.000 1.034 565 S HN 0.765 nan 8.310 nan 0.000 0.483 566 R N 0.000 120.500 120.500 0.000 0.000 2.786 566 R HA 0.000 4.342 4.340 0.003 0.000 0.208 566 R CA 0.000 56.088 56.100 -0.020 0.000 0.921 566 R CB 0.000 30.292 30.300 -0.013 0.000 0.687 566 R HN 0.000 nan 8.270 nan 0.000 0.535