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 3mvy_1_A DATA FIRST_RESID 2 DATA SEQUENCE APDEITTAWP VNVGPLNPHL YTPNQMFAQS MVYEPLVKYQ ADGSVIPWLA DATA SEQUENCE KSWTHSEDGK TWTFTLRDDV KFSNGEPFDA EAAAENFRAV LDNRQRHAWL DATA SEQUENCE ELANQIVDVK ALSKTELQIT LKSAYYPFLQ ELALPRPFRF IAPSQFKNHE DATA SEQUENCE TMNGIKAPIG TGPWILQESK LNQYDVFVRN ENYWGEKPAI KKITFNVIPD DATA SEQUENCE PTTRAVAFET GDIDLLYGNE GLLPLDTFAR FSQNPAYHTQ LSQPIETVML DATA SEQUENCE ALNTAKAPTN ELAVREALNY AVNKKSLIDN ALYGTQQVAD TLFAPSVPYA DATA SEQUENCE NLGLKPSQYD PQKAKALLEK AGWTLPAGKD IREKNGQPLR IELSFIGTDA DATA SEQUENCE LSKSMAEIIQ ADMRQIGADV SLIGEEESSI YARQRDGRFG MIFHRTWGAP DATA SEQUENCE YDPHAFLSSM RVPSHADFQA QQGLADKPLI DKEIGEVLAT HDETQRQALY DATA SEQUENCE RDILTRLHDE AVYLPISYIS MMVVSKPELG NIPYAPIATE IPFEQIKP 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.578 177.584 -0.010 0.000 1.274 2 A CA 0.000 52.028 52.037 -0.015 0.000 0.836 2 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 3 P HA 0.103 nan 4.420 nan 0.000 0.235 3 P C 0.036 177.341 177.300 0.008 0.000 1.177 3 P CA 1.602 64.702 63.100 -0.000 0.000 0.785 3 P CB 0.031 31.730 31.700 -0.000 0.000 0.885 4 D N -0.954 119.453 120.400 0.012 0.000 2.538 4 D HA 0.062 4.729 4.640 0.045 0.000 0.231 4 D C -0.250 176.069 176.300 0.030 0.000 1.229 4 D CA -0.153 53.863 54.000 0.027 0.000 0.828 4 D CB -0.108 40.712 40.800 0.032 0.000 1.035 4 D HN 0.124 nan 8.370 nan 0.000 0.495 5 E N 0.986 121.190 120.200 0.007 0.000 2.210 5 E HA 0.523 4.900 4.350 0.045 0.000 0.266 5 E C -0.122 176.455 176.600 -0.039 0.000 0.883 5 E CA -0.910 55.483 56.400 -0.013 0.000 0.761 5 E CB 2.709 32.397 29.700 -0.019 0.000 1.156 5 E HN 0.303 nan 8.360 nan 0.000 0.412 6 I N -1.233 119.290 120.570 -0.079 0.000 2.740 6 I HA 0.626 4.823 4.170 0.045 0.000 0.303 6 I C -0.737 175.282 176.117 -0.163 0.000 1.044 6 I CA -0.627 60.613 61.300 -0.100 0.000 1.064 6 I CB 2.398 40.349 38.000 -0.081 0.000 1.249 6 I HN 0.228 nan 8.210 nan 0.000 0.433 7 T N 3.213 117.690 114.554 -0.128 0.000 2.823 7 T HA 0.592 4.969 4.350 0.045 0.000 0.279 7 T C -0.238 174.380 174.700 -0.135 0.000 0.998 7 T CA -0.359 61.654 62.100 -0.145 0.000 0.994 7 T CB 1.828 70.648 68.868 -0.080 0.000 0.960 7 T HN 0.870 nan 8.240 nan 0.000 0.448 8 T N 0.457 114.881 114.554 -0.216 0.000 2.618 8 T HA 0.816 5.193 4.350 0.045 0.000 0.293 8 T C -1.812 172.866 174.700 -0.037 0.000 1.093 8 T CA -0.303 61.708 62.100 -0.147 0.000 1.061 8 T CB 1.270 69.964 68.868 -0.289 0.000 1.498 8 T HN 0.873 nan 8.240 nan 0.000 0.494 9 A N 0.375 123.275 122.820 0.134 0.000 2.556 9 A HA 0.771 5.118 4.320 0.045 0.000 0.294 9 A C -1.975 175.944 177.584 0.559 0.000 1.091 9 A CA -0.678 51.536 52.037 0.296 0.000 0.704 9 A CB 1.483 20.595 19.000 0.188 0.000 1.300 9 A HN 0.710 nan 8.150 nan 0.000 0.406 10 W N 1.432 122.902 121.300 0.284 0.000 3.167 10 W HA 0.415 5.102 4.660 0.044 0.000 0.324 10 W C -2.746 173.878 176.519 0.175 0.000 1.230 10 W CA -1.759 55.740 57.345 0.257 0.000 1.184 10 W CB 2.325 32.008 29.460 0.372 0.000 1.414 10 W HN 0.505 nan 8.180 nan 0.000 0.551 11 P HA -0.103 nan 4.420 nan 0.000 0.223 11 P C 0.177 177.474 177.300 -0.005 0.000 1.151 11 P CA 1.408 64.383 63.100 -0.208 0.000 0.787 11 P CB 0.313 31.788 31.700 -0.375 0.000 0.788 12 V N -5.612 114.394 119.914 0.152 0.000 3.181 12 V HA 0.469 4.616 4.120 0.045 0.000 0.308 12 V C -0.435 175.845 176.094 0.309 0.000 1.214 12 V CA -1.579 60.842 62.300 0.201 0.000 1.053 12 V CB 1.203 33.127 31.823 0.170 0.000 1.069 12 V HN -0.281 nan 8.190 nan 0.000 0.441 13 N N 0.005 118.814 118.700 0.182 0.000 2.307 13 N HA 0.276 5.043 4.740 0.045 0.000 0.230 13 N C 1.198 176.764 175.510 0.095 0.000 1.297 13 N CA 0.463 53.592 53.050 0.132 0.000 0.884 13 N CB 0.964 39.481 38.487 0.050 0.000 1.115 13 N HN 0.922 nan 8.380 nan 0.000 0.436 14 V N -1.770 118.130 119.914 -0.022 0.000 3.217 14 V HA 0.277 4.423 4.120 0.045 0.000 0.264 14 V C 1.024 177.046 176.094 -0.121 0.000 1.135 14 V CA 0.707 62.907 62.300 -0.167 0.000 1.142 14 V CB -1.645 30.025 31.823 -0.255 0.000 0.754 14 V HN 0.899 nan 8.190 nan 0.000 0.484 15 G N 0.441 109.206 108.800 -0.058 0.000 2.757 15 G HA2 -0.126 3.861 3.960 0.045 0.000 0.638 15 G HA3 -0.126 3.861 3.960 0.045 0.000 0.638 15 G C -1.465 173.400 174.900 -0.058 0.000 1.344 15 G CA -0.241 44.830 45.100 -0.048 0.000 0.855 15 G HN 0.337 nan 8.290 nan 0.000 0.537 16 P HA 0.126 nan 4.420 nan 0.000 0.225 16 P C 1.187 178.470 177.300 -0.028 0.000 1.148 16 P CA 1.195 64.270 63.100 -0.042 0.000 0.779 16 P CB -0.086 31.592 31.700 -0.036 0.000 0.780 17 L N -2.696 118.511 121.223 -0.028 0.000 3.512 17 L HA -0.185 4.182 4.340 0.045 0.000 0.446 17 L C 0.158 177.066 176.870 0.063 0.000 1.290 17 L CA -0.368 54.497 54.840 0.043 0.000 0.871 17 L CB -2.429 39.679 42.059 0.082 0.000 1.767 17 L HN 0.211 nan 8.230 nan 0.000 0.855 18 N N 2.546 121.203 118.700 -0.071 0.000 2.470 18 N HA 0.185 4.952 4.740 0.045 0.000 0.268 18 N C -0.941 174.352 175.510 -0.362 0.000 1.136 18 N CA -1.584 51.349 53.050 -0.196 0.000 0.961 18 N CB 1.247 39.635 38.487 -0.165 0.000 1.067 18 N HN 0.075 nan 8.380 nan 0.000 0.468 19 P HA -0.045 nan 4.420 nan 0.000 0.233 19 P C -0.098 176.845 177.300 -0.594 0.000 1.167 19 P CA 1.291 63.852 63.100 -0.899 0.000 0.770 19 P CB 0.117 30.869 31.700 -1.581 0.000 0.837 20 H N -1.999 116.829 119.070 -0.403 0.000 2.755 20 H HA 0.331 4.914 4.556 0.045 0.000 0.273 20 H C 0.862 176.004 175.328 -0.311 0.000 1.055 20 H CA -0.522 55.303 56.048 -0.372 0.000 1.191 20 H CB 0.418 30.001 29.762 -0.298 0.000 1.536 20 H HN 0.055 nan 8.280 nan 0.000 0.529 21 L N -0.259 120.803 121.223 -0.268 0.000 2.271 21 L HA 0.377 4.743 4.340 0.045 0.000 0.265 21 L C -0.550 176.043 176.870 -0.462 0.000 1.013 21 L CA -1.144 53.542 54.840 -0.257 0.000 0.820 21 L CB 1.280 43.292 42.059 -0.078 0.000 1.352 21 L HN 0.077 nan 8.230 nan 0.000 0.443 22 Y N -1.155 119.129 120.300 -0.027 0.000 3.052 22 Y HA 0.235 4.812 4.550 0.045 0.000 0.361 22 Y C 0.915 176.775 175.900 -0.067 0.000 1.255 22 Y CA -0.386 57.679 58.100 -0.059 0.000 1.111 22 Y CB 0.084 38.495 38.460 -0.082 0.000 1.361 22 Y HN 0.365 nan 8.280 nan 0.000 0.810 23 T N 3.349 117.968 114.554 0.107 0.000 2.923 23 T HA 0.007 4.384 4.350 0.045 0.000 0.304 23 T C -1.623 173.096 174.700 0.031 0.000 1.044 23 T CA -0.828 61.295 62.100 0.038 0.000 1.141 23 T CB 0.086 68.963 68.868 0.015 0.000 1.023 23 T HN 0.395 nan 8.240 nan 0.000 0.533 24 P HA 0.120 nan 4.420 nan 0.000 0.255 24 P C -0.033 177.267 177.300 -0.001 0.000 1.248 24 P CA -0.198 62.915 63.100 0.021 0.000 0.807 24 P CB 0.153 31.866 31.700 0.021 0.000 1.150 25 N N 2.180 120.860 118.700 -0.033 0.000 2.412 25 N HA -0.004 4.762 4.740 0.045 0.000 0.258 25 N C 0.258 175.711 175.510 -0.095 0.000 1.236 25 N CA 0.605 53.605 53.050 -0.082 0.000 0.882 25 N CB 0.466 38.887 38.487 -0.111 0.000 1.066 25 N HN 0.204 nan 8.380 nan 0.000 0.465 26 Q N 2.727 122.415 119.800 -0.187 0.000 2.278 26 Q HA 0.213 4.580 4.340 0.045 0.000 0.257 26 Q C 1.282 177.064 176.000 -0.364 0.000 0.928 26 Q CA -0.261 55.396 55.803 -0.243 0.000 0.932 26 Q CB 1.476 29.977 28.738 -0.394 0.000 1.221 26 Q HN 0.551 nan 8.270 nan 0.000 0.434 27 M N 1.593 121.094 119.600 -0.165 0.000 2.149 27 M HA -0.192 4.315 4.480 0.045 0.000 0.261 27 M C 1.650 177.851 176.300 -0.165 0.000 1.064 27 M CA 1.896 57.126 55.300 -0.117 0.000 1.102 27 M CB -0.596 32.002 32.600 -0.003 0.000 1.369 27 M HN 0.636 nan 8.290 nan 0.000 0.408 28 F N 0.436 120.277 119.950 -0.182 0.000 2.293 28 F HA 0.108 4.662 4.527 0.044 0.000 0.300 28 F C 2.265 177.909 175.800 -0.260 0.000 1.086 28 F CA 0.862 58.726 58.000 -0.226 0.000 1.375 28 F CB -0.864 37.922 39.000 -0.355 0.000 1.045 28 F HN -0.003 nan 8.300 nan 0.000 0.516 29 A N 0.555 122.520 122.820 -1.424 0.000 1.898 29 A HA -0.106 4.241 4.320 0.045 0.000 0.214 29 A C 2.247 179.608 177.584 -0.372 0.000 1.183 29 A CA 1.282 52.714 52.037 -1.008 0.000 0.622 29 A CB -0.861 17.519 19.000 -1.034 0.000 0.824 29 A HN 0.556 nan 8.150 nan 0.000 0.444 30 Q N -0.138 119.509 119.800 -0.256 0.000 2.096 30 Q HA -0.127 4.240 4.340 0.045 0.000 0.204 30 Q C 2.251 178.294 176.000 0.072 0.000 0.982 30 Q CA 1.821 57.630 55.803 0.011 0.000 0.850 30 Q CB -0.180 28.549 28.738 -0.016 0.000 0.901 30 Q HN 0.609 nan 8.270 nan 0.000 0.422 31 S N 0.059 115.756 115.700 -0.004 0.000 2.481 31 S HA -0.034 4.463 4.470 0.045 0.000 0.231 31 S C 1.673 176.316 174.600 0.073 0.000 0.996 31 S CA 0.769 59.002 58.200 0.055 0.000 0.942 31 S CB -0.002 63.228 63.200 0.050 0.000 0.768 31 S HN 0.320 nan 8.310 nan 0.000 0.520 32 M N 0.002 119.608 119.600 0.010 0.000 2.334 32 M HA 0.031 4.538 4.480 0.045 0.000 0.266 32 M C 1.659 178.035 176.300 0.128 0.000 1.082 32 M CA 0.928 56.293 55.300 0.109 0.000 1.141 32 M CB 0.016 32.505 32.600 -0.184 0.000 1.380 32 M HN 0.142 nan 8.290 nan 0.000 0.440 33 V N -1.767 118.130 119.914 -0.028 0.000 2.949 33 V HA -0.005 4.141 4.120 0.045 0.000 0.245 33 V C 0.103 175.991 176.094 -0.344 0.000 1.086 33 V CA 0.661 62.823 62.300 -0.231 0.000 1.097 33 V CB -0.158 31.381 31.823 -0.474 0.000 0.762 33 V HN 0.213 nan 8.190 nan 0.000 0.470 34 Y N 0.124 120.499 120.300 0.124 0.000 2.446 34 Y HA 0.603 5.180 4.550 0.045 0.000 0.338 34 Y C 0.287 176.283 175.900 0.159 0.000 1.055 34 Y CA -0.861 57.319 58.100 0.134 0.000 1.101 34 Y CB 1.324 39.811 38.460 0.045 0.000 1.221 34 Y HN 0.085 nan 8.280 nan 0.000 0.460 35 E N 4.149 124.584 120.200 0.392 0.000 2.244 35 E HA 0.433 4.810 4.350 0.045 0.000 0.266 35 E C -2.708 174.113 176.600 0.369 0.000 0.914 35 E CA -2.233 54.416 56.400 0.414 0.000 0.794 35 E CB 2.228 32.282 29.700 0.591 0.000 1.210 35 E HN 0.268 nan 8.360 nan 0.000 0.414 36 P HA 0.231 nan 4.420 nan 0.000 0.285 36 P C 0.450 177.988 177.300 0.396 0.000 1.285 36 P CA -0.526 62.737 63.100 0.273 0.000 0.854 36 P CB 1.419 33.178 31.700 0.097 0.000 1.180 37 L N -0.112 121.298 121.223 0.311 0.000 2.046 37 L HA -0.031 4.336 4.340 0.045 0.000 0.208 37 L C 1.162 178.164 176.870 0.220 0.000 1.077 37 L CA 1.571 56.525 54.840 0.189 0.000 0.747 37 L CB -0.426 41.560 42.059 -0.121 0.000 0.896 37 L HN 0.268 nan 8.230 nan 0.000 0.432 38 V N -3.640 116.344 119.914 0.117 0.000 2.789 38 V HA 0.447 4.594 4.120 0.045 0.000 0.311 38 V C -0.629 175.513 176.094 0.081 0.000 1.073 38 V CA -1.064 61.325 62.300 0.149 0.000 0.921 38 V CB 2.100 33.870 31.823 -0.089 0.000 1.009 38 V HN -0.004 nan 8.190 nan 0.000 0.426 39 K N 2.824 123.273 120.400 0.081 0.000 2.235 39 K HA 0.422 4.769 4.320 0.045 0.000 0.266 39 K C -1.256 175.335 176.600 -0.015 0.000 0.980 39 K CA -0.775 55.425 56.287 -0.144 0.000 0.849 39 K CB 1.407 33.562 32.500 -0.575 0.000 1.098 39 K HN 0.877 nan 8.250 nan 0.000 0.445 40 Y N 3.336 123.569 120.300 -0.111 0.000 2.497 40 Y HA -0.026 4.551 4.550 0.044 0.000 0.334 40 Y C -0.139 175.741 175.900 -0.033 0.000 1.199 40 Y CA 0.694 58.764 58.100 -0.050 0.000 1.425 40 Y CB 0.713 39.143 38.460 -0.050 0.000 1.291 40 Y HN 0.508 nan 8.280 nan 0.000 0.562 41 Q N 3.472 122.799 119.800 -0.788 0.000 2.378 41 Q HA 0.494 4.861 4.340 0.045 0.000 0.276 41 Q C 0.718 176.338 176.000 -0.632 0.000 1.083 41 Q CA -0.111 55.394 55.803 -0.497 0.000 0.856 41 Q CB 1.814 30.402 28.738 -0.249 0.000 1.383 41 Q HN 0.866 nan 8.270 nan 0.000 0.458 42 A N 0.915 123.591 122.820 -0.240 0.000 2.024 42 A HA -0.210 4.137 4.320 0.045 0.000 0.220 42 A C 1.064 178.574 177.584 -0.124 0.000 1.164 42 A CA 2.314 54.288 52.037 -0.105 0.000 0.643 42 A CB -0.514 18.477 19.000 -0.016 0.000 0.806 42 A HN 0.790 nan 8.150 nan 0.000 0.451 43 D N -3.235 117.064 120.400 -0.168 0.000 2.328 43 D HA 0.347 5.014 4.640 0.045 0.000 0.226 43 D C 1.069 177.305 176.300 -0.108 0.000 1.066 43 D CA 0.878 54.817 54.000 -0.101 0.000 0.861 43 D CB -0.176 40.584 40.800 -0.067 0.000 0.912 43 D HN 0.619 nan 8.370 nan 0.000 0.521 44 G N -0.225 108.443 108.800 -0.220 0.000 2.195 44 G HA2 -0.295 3.692 3.960 0.045 0.000 0.246 44 G HA3 -0.295 3.692 3.960 0.045 0.000 0.246 44 G C 0.491 175.360 174.900 -0.051 0.000 0.984 44 G CA 0.376 45.441 45.100 -0.058 0.000 0.633 44 G HN 0.855 nan 8.290 nan 0.000 0.525 45 S N -0.674 114.934 115.700 -0.153 0.000 2.707 45 S HA 0.837 5.334 4.470 0.045 0.000 0.276 45 S C 0.383 174.949 174.600 -0.056 0.000 1.179 45 S CA 0.022 58.209 58.200 -0.022 0.000 0.992 45 S CB 2.223 65.439 63.200 0.027 0.000 1.030 45 S HN 1.845 nan 8.310 nan 0.000 0.554 46 V N -0.546 119.428 119.914 0.100 0.000 2.769 46 V HA 0.838 4.985 4.120 0.045 0.000 0.312 46 V C -0.281 175.956 176.094 0.238 0.000 1.058 46 V CA -1.121 61.261 62.300 0.136 0.000 0.952 46 V CB 0.716 32.620 31.823 0.136 0.000 1.019 46 V HN 1.078 nan 8.190 nan 0.000 0.445 47 I N -0.312 120.414 120.570 0.260 0.000 3.023 47 I HA 0.805 5.002 4.170 0.045 0.000 0.312 47 I C -2.716 173.719 176.117 0.531 0.000 1.056 47 I CA -2.945 58.572 61.300 0.361 0.000 1.033 47 I CB 1.831 39.992 38.000 0.268 0.000 1.233 47 I HN 0.364 nan 8.210 nan 0.000 0.462 48 P HA 0.009 nan 4.420 nan 0.000 0.267 48 P C -1.008 176.690 177.300 0.665 0.000 1.200 48 P CA 0.182 63.654 63.100 0.620 0.000 0.772 48 P CB 0.567 32.503 31.700 0.392 0.000 0.855 49 W N 2.159 123.636 121.300 0.296 0.000 4.481 49 W HA 0.151 4.838 4.660 0.046 0.000 0.555 49 W C 1.354 177.889 176.519 0.027 0.000 3.468 49 W CA -0.119 57.385 57.345 0.264 0.000 1.136 49 W CB -0.394 29.225 29.460 0.266 0.000 2.118 49 W HN 0.005 nan 8.180 nan 0.000 0.350 50 L N 1.834 123.082 121.223 0.042 0.000 2.127 50 L HA -0.058 4.309 4.340 0.045 0.000 0.211 50 L C 1.201 178.060 176.870 -0.018 0.000 1.089 50 L CA 1.250 55.927 54.840 -0.272 0.000 0.757 50 L CB -1.003 40.874 42.059 -0.302 0.000 0.899 50 L HN 0.086 nan 8.230 nan 0.000 0.434 51 A N 0.420 123.352 122.820 0.188 0.000 2.328 51 A HA 0.236 4.583 4.320 0.045 0.000 0.284 51 A C 1.090 178.891 177.584 0.363 0.000 1.160 51 A CA -0.502 51.733 52.037 0.331 0.000 0.818 51 A CB 0.530 19.847 19.000 0.528 0.000 1.087 51 A HN 0.355 nan 8.150 nan 0.000 0.504 52 K N 1.075 121.627 120.400 0.253 0.000 2.379 52 K HA 0.181 4.528 4.320 0.045 0.000 0.194 52 K C 0.197 176.896 176.600 0.165 0.000 1.031 52 K CA 0.913 57.308 56.287 0.180 0.000 1.037 52 K CB 0.045 32.582 32.500 0.062 0.000 0.824 52 K HN 0.809 nan 8.250 nan 0.000 0.516 53 S N -0.752 115.107 115.700 0.265 0.000 2.597 53 S HA 0.557 5.054 4.470 0.045 0.000 0.274 53 S C -1.932 172.860 174.600 0.319 0.000 1.132 53 S CA -1.117 57.113 58.200 0.050 0.000 0.835 53 S CB 0.207 63.365 63.200 -0.070 0.000 1.092 53 S HN 0.480 nan 8.310 nan 0.000 0.457 54 W N 0.103 121.453 121.300 0.084 0.000 3.137 54 W HA 0.803 5.490 4.660 0.045 0.000 0.324 54 W C -0.834 175.635 176.519 -0.084 0.000 1.253 54 W CA -0.364 56.941 57.345 -0.068 0.000 1.183 54 W CB 0.634 29.930 29.460 -0.274 0.000 1.424 54 W HN 1.095 nan 8.180 nan 0.000 0.566 55 T N -0.935 113.648 114.554 0.048 0.000 2.901 55 T HA 0.797 5.173 4.350 0.045 0.000 0.293 55 T C -1.323 173.243 174.700 -0.224 0.000 1.084 55 T CA -0.728 61.295 62.100 -0.129 0.000 1.008 55 T CB 1.982 70.737 68.868 -0.189 0.000 1.170 55 T HN 1.169 nan 8.240 nan 0.000 0.509 56 H N -1.315 117.480 119.070 -0.459 0.000 2.930 56 H HA 0.725 5.308 4.556 0.045 0.000 0.371 56 H C -0.091 174.914 175.328 -0.538 0.000 1.169 56 H CA -0.625 54.909 56.048 -0.858 0.000 1.157 56 H CB 0.859 29.490 29.762 -1.885 0.000 1.789 56 H HN 0.826 nan 8.280 nan 0.000 0.547 57 S N 1.390 116.902 115.700 -0.314 0.000 2.587 57 S HA -0.007 4.490 4.470 0.045 0.000 0.260 57 S C 0.857 175.401 174.600 -0.094 0.000 1.353 57 S CA -0.227 57.861 58.200 -0.188 0.000 0.995 57 S CB 0.729 63.852 63.200 -0.130 0.000 0.912 57 S HN 0.826 nan 8.310 nan 0.000 0.568 58 E N 0.878 121.023 120.200 -0.091 0.000 2.051 58 E HA -0.212 4.165 4.350 0.045 0.000 0.192 58 E C 1.269 177.842 176.600 -0.046 0.000 0.991 58 E CA 1.147 57.514 56.400 -0.056 0.000 0.799 58 E CB -0.655 29.011 29.700 -0.058 0.000 0.748 58 E HN 0.708 nan 8.360 nan 0.000 0.449 59 D N 0.803 121.173 120.400 -0.049 0.000 5.591 59 D HA -0.207 4.459 4.640 0.045 0.000 0.357 59 D C 1.046 177.319 176.300 -0.044 0.000 1.674 59 D CA 1.972 55.949 54.000 -0.039 0.000 1.017 59 D CB -0.862 39.915 40.800 -0.038 0.000 0.725 59 D HN 0.317 nan 8.370 nan 0.000 0.843 60 G N 0.043 108.794 108.800 -0.081 0.000 2.741 60 G HA2 0.212 4.199 3.960 0.045 0.000 0.301 60 G HA3 0.212 4.199 3.960 0.045 0.000 0.301 60 G C 0.792 175.728 174.900 0.059 0.000 0.834 60 G CA -0.298 44.735 45.100 -0.111 0.000 1.683 60 G HN 0.227 nan 8.290 nan 0.000 0.506 61 K N 0.921 121.351 120.400 0.050 0.000 2.354 61 K HA 0.072 4.419 4.320 0.045 0.000 0.194 61 K C 0.346 177.031 176.600 0.142 0.000 1.038 61 K CA 0.369 56.725 56.287 0.116 0.000 1.052 61 K CB 0.772 33.302 32.500 0.049 0.000 0.861 61 K HN 0.330 nan 8.250 nan 0.000 0.535 62 T N 1.069 115.649 114.554 0.043 0.000 2.786 62 T HA 0.324 4.701 4.350 0.045 0.000 0.283 62 T C -1.398 173.283 174.700 -0.030 0.000 0.992 62 T CA -0.534 61.598 62.100 0.053 0.000 0.954 62 T CB 0.623 69.484 68.868 -0.012 0.000 0.934 62 T HN 0.051 nan 8.240 nan 0.000 0.440 63 W N 1.825 123.092 121.300 -0.054 0.000 2.702 63 W HA 0.555 5.241 4.660 0.044 0.000 0.331 63 W C -0.135 176.344 176.519 -0.067 0.000 1.049 63 W CA -0.666 56.646 57.345 -0.054 0.000 1.230 63 W CB 1.509 30.956 29.460 -0.022 0.000 1.408 63 W HN 0.351 nan 8.180 nan 0.000 0.492 64 T N 3.735 118.307 114.554 0.030 0.000 2.864 64 T HA 0.460 4.837 4.350 0.045 0.000 0.299 64 T C -1.101 173.597 174.700 -0.005 0.000 1.011 64 T CA -0.538 61.591 62.100 0.049 0.000 0.975 64 T CB 0.161 69.047 68.868 0.031 0.000 0.962 64 T HN -0.029 nan 8.240 nan 0.000 0.448 65 F N 1.819 121.938 119.950 0.282 0.000 2.408 65 F HA 0.439 4.992 4.527 0.044 0.000 0.344 65 F C 1.157 177.077 175.800 0.200 0.000 1.112 65 F CA -0.693 57.496 58.000 0.316 0.000 1.096 65 F CB 1.386 40.552 39.000 0.277 0.000 1.129 65 F HN 0.296 nan 8.300 nan 0.000 0.486 66 T N 5.378 120.141 114.554 0.348 0.000 2.743 66 T HA 0.506 4.883 4.350 0.045 0.000 0.292 66 T C -0.012 174.810 174.700 0.204 0.000 0.972 66 T CA -0.531 61.690 62.100 0.201 0.000 0.967 66 T CB 0.196 69.133 68.868 0.114 0.000 0.926 66 T HN 0.279 nan 8.240 nan 0.000 0.459 67 L N 3.071 124.372 121.223 0.129 0.000 2.399 67 L HA 0.512 4.879 4.340 0.045 0.000 0.266 67 L C 1.052 177.926 176.870 0.006 0.000 1.114 67 L CA -1.214 53.678 54.840 0.086 0.000 0.804 67 L CB 0.656 42.730 42.059 0.025 0.000 1.146 67 L HN 0.425 nan 8.230 nan 0.000 0.451 68 R N 1.081 121.548 120.500 -0.054 0.000 2.698 68 R HA -0.015 4.352 4.340 0.045 0.000 0.266 68 R C -0.030 176.209 176.300 -0.103 0.000 1.026 68 R CA -0.112 55.906 56.100 -0.138 0.000 1.102 68 R CB 0.261 30.349 30.300 -0.353 0.000 0.978 68 R HN 0.666 nan 8.270 nan 0.000 0.436 69 D N 0.373 120.718 120.400 -0.091 0.000 2.395 69 D HA -0.068 4.599 4.640 0.045 0.000 0.213 69 D C 0.245 176.505 176.300 -0.066 0.000 1.110 69 D CA 0.019 53.977 54.000 -0.070 0.000 0.835 69 D CB 0.190 40.960 40.800 -0.050 0.000 0.965 69 D HN 0.580 nan 8.370 nan 0.000 0.505 70 D N -0.024 120.319 120.400 -0.094 0.000 2.431 70 D HA 0.037 4.704 4.640 0.045 0.000 0.213 70 D C 0.085 176.335 176.300 -0.083 0.000 1.130 70 D CA -0.376 53.583 54.000 -0.068 0.000 0.834 70 D CB 0.082 40.856 40.800 -0.043 0.000 0.985 70 D HN -0.010 nan 8.370 nan 0.000 0.504 71 V N 0.888 120.714 119.914 -0.147 0.000 2.465 71 V HA 0.299 4.446 4.120 0.045 0.000 0.279 71 V C 0.337 176.382 176.094 -0.081 0.000 1.045 71 V CA -0.514 61.668 62.300 -0.196 0.000 0.938 71 V CB 1.462 32.998 31.823 -0.479 0.000 0.986 71 V HN -0.019 nan 8.190 nan 0.000 0.467 72 K N 3.927 124.302 120.400 -0.041 0.000 2.324 72 K HA 0.538 4.884 4.320 0.045 0.000 0.253 72 K C -0.783 175.827 176.600 0.017 0.000 0.932 72 K CA -0.644 55.656 56.287 0.022 0.000 0.799 72 K CB 2.107 34.657 32.500 0.084 0.000 1.154 72 K HN 0.388 nan 8.250 nan 0.000 0.425 73 F N 1.069 121.105 119.950 0.143 0.000 2.589 73 F HA -0.169 4.385 4.527 0.044 0.000 0.352 73 F C 2.135 178.005 175.800 0.116 0.000 1.168 73 F CA 0.558 58.644 58.000 0.145 0.000 1.353 73 F CB 0.453 39.540 39.000 0.146 0.000 1.116 73 F HN 0.658 nan 8.300 nan 0.000 0.608 74 S N 0.376 116.260 115.700 0.307 0.000 2.465 74 S HA -0.244 4.253 4.470 0.045 0.000 0.241 74 S C 1.197 175.889 174.600 0.154 0.000 1.000 74 S CA 1.158 59.470 58.200 0.188 0.000 0.964 74 S CB -0.719 62.568 63.200 0.145 0.000 0.763 74 S HN 0.770 nan 8.310 nan 0.000 0.512 75 N N 1.007 119.813 118.700 0.176 0.000 2.314 75 N HA 0.275 5.041 4.740 0.045 0.000 0.200 75 N C 1.170 176.750 175.510 0.118 0.000 1.135 75 N CA 0.508 53.628 53.050 0.117 0.000 0.835 75 N CB -0.362 38.174 38.487 0.081 0.000 0.989 75 N HN 0.551 nan 8.380 nan 0.000 0.478 76 G N -0.576 108.313 108.800 0.148 0.000 2.225 76 G HA2 -0.302 3.685 3.960 0.045 0.000 0.254 76 G HA3 -0.302 3.685 3.960 0.045 0.000 0.254 76 G C -0.323 174.662 174.900 0.142 0.000 0.988 76 G CA 0.154 45.327 45.100 0.122 0.000 0.625 76 G HN 0.513 nan 8.290 nan 0.000 0.527 77 E N 2.411 122.727 120.200 0.195 0.000 2.354 77 E HA 0.388 4.765 4.350 0.045 0.000 0.269 77 E C -2.090 174.720 176.600 0.350 0.000 1.036 77 E CA -1.557 54.972 56.400 0.215 0.000 0.876 77 E CB 1.127 30.913 29.700 0.145 0.000 1.009 77 E HN 0.235 nan 8.360 nan 0.000 0.416 78 P HA -0.050 nan 4.420 nan 0.000 0.271 78 P C -0.886 176.601 177.300 0.312 0.000 1.216 78 P CA -0.011 63.204 63.100 0.191 0.000 0.776 78 P CB 0.361 32.111 31.700 0.084 0.000 0.881 79 F N 4.406 124.291 119.950 -0.109 0.000 2.438 79 F HA 0.302 4.856 4.527 0.045 0.000 0.356 79 F C 0.085 175.806 175.800 -0.133 0.000 1.099 79 F CA 0.481 58.339 58.000 -0.237 0.000 1.185 79 F CB 0.303 38.933 39.000 -0.616 0.000 1.115 79 F HN 0.349 nan 8.300 nan 0.000 0.526 80 D N 3.546 123.495 120.400 -0.751 0.000 2.825 80 D HA 0.409 5.076 4.640 0.045 0.000 0.327 80 D C -0.038 175.851 176.300 -0.684 0.000 1.277 80 D CA -0.208 53.430 54.000 -0.603 0.000 0.950 80 D CB 0.729 41.381 40.800 -0.247 0.000 1.438 80 D HN 0.432 nan 8.370 nan 0.000 0.526 81 A N -0.724 121.875 122.820 -0.368 0.000 2.067 81 A HA -0.020 4.326 4.320 0.045 0.000 0.217 81 A C 1.844 179.349 177.584 -0.131 0.000 1.156 81 A CA 1.909 53.799 52.037 -0.245 0.000 0.683 81 A CB -0.920 18.015 19.000 -0.109 0.000 0.808 81 A HN 0.666 nan 8.150 nan 0.000 0.455 82 E N 0.681 120.817 120.200 -0.108 0.000 2.031 82 E HA -0.113 4.263 4.350 0.045 0.000 0.193 82 E C 2.005 178.603 176.600 -0.002 0.000 0.994 82 E CA 1.737 58.117 56.400 -0.033 0.000 0.800 82 E CB -0.446 29.234 29.700 -0.033 0.000 0.752 82 E HN 0.421 nan 8.360 nan 0.000 0.447 83 A N 1.110 123.901 122.820 -0.048 0.000 1.883 83 A HA -0.106 4.241 4.320 0.045 0.000 0.217 83 A C 2.504 180.189 177.584 0.167 0.000 1.186 83 A CA 2.312 54.387 52.037 0.065 0.000 0.624 83 A CB -1.261 17.851 19.000 0.187 0.000 0.822 83 A HN 0.473 nan 8.150 nan 0.000 0.444 84 A N -0.046 122.745 122.820 -0.048 0.000 1.851 84 A HA 0.081 4.428 4.320 0.045 0.000 0.216 84 A C 2.568 180.440 177.584 0.481 0.000 1.195 84 A CA 2.579 54.656 52.037 0.066 0.000 0.622 84 A CB -1.282 17.596 19.000 -0.204 0.000 0.831 84 A HN 1.218 nan 8.150 nan 0.000 0.444 85 A N -0.857 122.155 122.820 0.320 0.000 1.940 85 A HA -0.181 4.166 4.320 0.045 0.000 0.219 85 A C 1.931 179.736 177.584 0.367 0.000 1.176 85 A CA 1.872 54.120 52.037 0.351 0.000 0.631 85 A CB -0.470 18.635 19.000 0.175 0.000 0.814 85 A HN 0.488 nan 8.150 nan 0.000 0.446 86 E N 0.231 120.624 120.200 0.321 0.000 2.077 86 E HA -0.176 4.200 4.350 0.045 0.000 0.193 86 E C 1.784 178.708 176.600 0.541 0.000 0.989 86 E CA 1.442 58.068 56.400 0.376 0.000 0.800 86 E CB -0.496 29.355 29.700 0.252 0.000 0.746 86 E HN 0.712 nan 8.360 nan 0.000 0.452 87 N N -0.126 118.917 118.700 0.572 0.000 2.084 87 N HA -0.106 4.661 4.740 0.045 0.000 0.190 87 N C 1.643 177.223 175.510 0.116 0.000 1.030 87 N CA 0.970 54.309 53.050 0.481 0.000 0.849 87 N CB -0.343 38.528 38.487 0.641 0.000 1.012 87 N HN 0.059 nan 8.380 nan 0.000 0.423 88 F N 1.003 121.103 119.950 0.250 0.000 2.134 88 F HA -0.062 4.491 4.527 0.044 0.000 0.299 88 F C 2.486 178.340 175.800 0.091 0.000 1.097 88 F CA 1.021 59.120 58.000 0.165 0.000 1.264 88 F CB -0.240 38.869 39.000 0.181 0.000 1.001 88 F HN 0.013 nan 8.300 nan 0.000 0.479 89 R N 0.617 121.298 120.500 0.301 0.000 2.081 89 R HA -0.163 4.203 4.340 0.045 0.000 0.235 89 R C 2.294 178.645 176.300 0.084 0.000 1.131 89 R CA 1.428 57.640 56.100 0.187 0.000 0.960 89 R CB -0.528 29.887 30.300 0.191 0.000 0.856 89 R HN 0.247 nan 8.270 nan 0.000 0.436 90 A N 0.407 123.236 122.820 0.015 0.000 1.933 90 A HA -0.074 4.273 4.320 0.045 0.000 0.218 90 A C 2.274 179.735 177.584 -0.206 0.000 1.175 90 A CA 1.469 53.408 52.037 -0.164 0.000 0.628 90 A CB -0.458 18.282 19.000 -0.433 0.000 0.814 90 A HN 0.235 nan 8.150 nan 0.000 0.444 91 V N 0.028 119.740 119.914 -0.335 0.000 2.261 91 V HA -0.233 3.914 4.120 0.045 0.000 0.246 91 V C 2.429 178.516 176.094 -0.011 0.000 1.047 91 V CA 2.014 64.120 62.300 -0.324 0.000 1.015 91 V CB -0.701 30.777 31.823 -0.574 0.000 0.642 91 V HN 0.576 nan 8.190 nan 0.000 0.446 92 L N -0.087 121.171 121.223 0.057 0.000 2.465 92 L HA -0.064 4.303 4.340 0.045 0.000 0.224 92 L C 1.742 178.663 176.870 0.086 0.000 1.145 92 L CA 0.682 55.595 54.840 0.121 0.000 0.834 92 L CB -0.574 41.575 42.059 0.150 0.000 0.944 92 L HN 0.319 nan 8.230 nan 0.000 0.451 93 D N -0.288 120.143 120.400 0.053 0.000 2.371 93 D HA -0.110 4.556 4.640 0.045 0.000 0.221 93 D C 1.179 177.497 176.300 0.029 0.000 0.986 93 D CA 0.755 54.776 54.000 0.035 0.000 0.899 93 D CB -0.063 40.749 40.800 0.019 0.000 0.902 93 D HN 0.180 nan 8.370 nan 0.000 0.530 94 N N 0.215 118.947 118.700 0.054 0.000 2.282 94 N HA 0.061 4.828 4.740 0.045 0.000 0.240 94 N C 1.227 176.746 175.510 0.015 0.000 1.182 94 N CA -0.220 52.840 53.050 0.017 0.000 0.874 94 N CB 0.186 38.677 38.487 0.006 0.000 1.126 94 N HN -0.091 nan 8.380 nan 0.000 0.516 95 R N 0.356 120.912 120.500 0.094 0.000 2.190 95 R HA -0.322 4.045 4.340 0.045 0.000 0.255 95 R C 1.704 178.019 176.300 0.025 0.000 1.143 95 R CA 2.395 58.566 56.100 0.118 0.000 0.965 95 R CB -0.055 30.290 30.300 0.075 0.000 0.889 95 R HN 0.358 nan 8.270 nan 0.000 0.448 96 Q N 0.126 119.912 119.800 -0.024 0.000 2.152 96 Q HA -0.245 4.122 4.340 0.045 0.000 0.206 96 Q C 1.940 177.888 176.000 -0.087 0.000 0.985 96 Q CA 2.220 57.995 55.803 -0.046 0.000 0.863 96 Q CB -0.224 28.488 28.738 -0.043 0.000 0.904 96 Q HN 0.133 nan 8.270 nan 0.000 0.422 97 R N -0.396 119.990 120.500 -0.190 0.000 2.189 97 R HA -0.087 4.280 4.340 0.045 0.000 0.223 97 R C 0.745 176.904 176.300 -0.235 0.000 1.092 97 R CA 1.495 57.442 56.100 -0.255 0.000 0.989 97 R CB -0.243 29.860 30.300 -0.329 0.000 0.876 97 R HN 0.505 nan 8.270 nan 0.000 0.457 98 H N -0.732 118.380 119.070 0.071 0.000 2.537 98 H HA 0.337 4.920 4.556 0.044 0.000 0.295 98 H C 1.203 176.408 175.328 -0.206 0.000 1.054 98 H CA 0.484 56.517 56.048 -0.026 0.000 1.156 98 H CB 0.240 29.946 29.762 -0.092 0.000 1.468 98 H HN 0.260 nan 8.280 nan 0.000 0.551 99 A N 1.808 124.627 122.820 -0.002 0.000 1.986 99 A HA -0.170 4.177 4.320 0.045 0.000 0.220 99 A C 2.159 179.710 177.584 -0.055 0.000 1.171 99 A CA 1.276 53.291 52.037 -0.037 0.000 0.640 99 A CB -0.909 18.076 19.000 -0.026 0.000 0.811 99 A HN 0.709 nan 8.150 nan 0.000 0.451 100 W N -1.541 119.743 121.300 -0.026 0.000 2.467 100 W HA 0.231 4.917 4.660 0.043 0.000 0.275 100 W C 0.197 176.789 176.519 0.122 0.000 1.239 100 W CA 0.031 57.378 57.345 0.002 0.000 1.266 100 W CB -0.817 28.690 29.460 0.078 0.000 1.112 100 W HN 0.242 nan 8.180 nan 0.000 0.576 101 L N 3.030 123.640 121.223 -1.021 0.000 2.255 101 L HA 0.185 4.552 4.340 0.045 0.000 0.289 101 L C 1.444 178.114 176.870 -0.333 0.000 1.046 101 L CA -0.140 54.168 54.840 -0.887 0.000 0.816 101 L CB 1.165 42.324 42.059 -1.501 0.000 1.197 101 L HN -0.119 nan 8.230 nan 0.000 0.427 102 E N 3.670 123.793 120.200 -0.127 0.000 2.204 102 E HA -0.230 4.147 4.350 0.045 0.000 0.195 102 E C 1.632 178.019 176.600 -0.354 0.000 0.990 102 E CA 1.388 57.682 56.400 -0.176 0.000 0.821 102 E CB -0.169 29.482 29.700 -0.081 0.000 0.750 102 E HN 0.673 nan 8.360 nan 0.000 0.477 103 L N 0.303 121.383 121.223 -0.238 0.000 2.129 103 L HA -0.127 4.240 4.340 0.045 0.000 0.212 103 L C 2.108 178.942 176.870 -0.060 0.000 1.087 103 L CA 2.193 56.936 54.840 -0.161 0.000 0.757 103 L CB -0.957 41.169 42.059 0.112 0.000 0.896 103 L HN 0.212 nan 8.230 nan 0.000 0.434 104 A N -0.961 121.877 122.820 0.029 0.000 2.067 104 A HA -0.131 4.216 4.320 0.045 0.000 0.219 104 A C 1.899 179.488 177.584 0.008 0.000 1.158 104 A CA 1.595 53.696 52.037 0.107 0.000 0.661 104 A CB -0.548 18.491 19.000 0.065 0.000 0.801 104 A HN 0.656 nan 8.150 nan 0.000 0.452 105 N N -1.009 117.640 118.700 -0.086 0.000 2.356 105 N HA -0.017 4.750 4.740 0.045 0.000 0.178 105 N C 1.347 176.782 175.510 -0.124 0.000 1.075 105 N CA 0.327 53.323 53.050 -0.090 0.000 0.889 105 N CB 0.025 38.451 38.487 -0.103 0.000 0.999 105 N HN 0.413 nan 8.380 nan 0.000 0.464 106 Q N 0.822 120.503 119.800 -0.199 0.000 2.204 106 Q HA 0.202 4.569 4.340 0.045 0.000 0.198 106 Q C 0.758 176.669 176.000 -0.148 0.000 0.946 106 Q CA 0.139 55.807 55.803 -0.226 0.000 0.859 106 Q CB 0.405 28.890 28.738 -0.420 0.000 0.946 106 Q HN 0.359 nan 8.270 nan 0.000 0.474 107 I N 1.490 121.990 120.570 -0.116 0.000 2.662 107 I HA -0.114 4.082 4.170 0.045 0.000 0.285 107 I C 1.256 177.344 176.117 -0.050 0.000 1.161 107 I CA -0.065 61.181 61.300 -0.090 0.000 1.415 107 I CB 0.733 38.694 38.000 -0.066 0.000 1.385 107 I HN -0.125 nan 8.210 nan 0.000 0.552 108 V N 4.783 124.665 119.914 -0.054 0.000 2.922 108 V HA 0.080 4.227 4.120 0.045 0.000 0.242 108 V C 0.139 176.224 176.094 -0.015 0.000 1.094 108 V CA 1.033 63.315 62.300 -0.029 0.000 1.106 108 V CB 0.185 31.990 31.823 -0.030 0.000 0.799 108 V HN 0.896 nan 8.190 nan 0.000 0.474 109 D N -1.954 118.430 120.400 -0.025 0.000 2.654 109 D HA 0.481 5.148 4.640 0.045 0.000 0.231 109 D C -1.632 174.646 176.300 -0.038 0.000 1.239 109 D CA -0.152 53.841 54.000 -0.012 0.000 0.790 109 D CB 2.403 43.201 40.800 -0.004 0.000 1.480 109 D HN -0.145 nan 8.370 nan 0.000 0.442 110 V N 2.615 122.515 119.914 -0.023 0.000 2.668 110 V HA 0.620 4.767 4.120 0.045 0.000 0.304 110 V C -0.863 175.236 176.094 0.008 0.000 1.071 110 V CA -0.749 61.515 62.300 -0.060 0.000 0.894 110 V CB 1.895 33.635 31.823 -0.140 0.000 1.008 110 V HN 0.659 nan 8.190 nan 0.000 0.425 111 K N 3.495 123.903 120.400 0.014 0.000 2.550 111 K HA 0.795 5.142 4.320 0.045 0.000 0.252 111 K C -0.862 175.761 176.600 0.040 0.000 0.943 111 K CA -0.485 55.823 56.287 0.034 0.000 0.806 111 K CB 2.180 34.697 32.500 0.027 0.000 1.289 111 K HN 0.865 nan 8.250 nan 0.000 0.435 112 A N 5.354 128.197 122.820 0.038 0.000 2.347 112 A HA 0.294 4.641 4.320 0.045 0.000 0.287 112 A C 0.738 178.333 177.584 0.019 0.000 1.199 112 A CA -0.533 51.519 52.037 0.025 0.000 0.851 112 A CB -0.189 18.817 19.000 0.010 0.000 1.118 112 A HN 0.829 nan 8.150 nan 0.000 0.525 113 L N 2.258 123.494 121.223 0.022 0.000 2.270 113 L HA 0.104 4.471 4.340 0.045 0.000 0.210 113 L C 1.233 178.106 176.870 0.006 0.000 1.104 113 L CA 1.028 55.878 54.840 0.016 0.000 0.804 113 L CB -0.472 41.600 42.059 0.022 0.000 0.937 113 L HN 0.872 nan 8.230 nan 0.000 0.450 114 S N -2.930 112.770 115.700 0.000 0.000 2.683 114 S HA 0.149 4.646 4.470 0.045 0.000 0.269 114 S C 0.343 174.927 174.600 -0.028 0.000 1.165 114 S CA -0.670 57.523 58.200 -0.011 0.000 0.840 114 S CB 1.667 64.862 63.200 -0.007 0.000 1.169 114 S HN -0.266 nan 8.310 nan 0.000 0.490 115 K N 0.545 120.923 120.400 -0.038 0.000 2.209 115 K HA 0.057 4.404 4.320 0.045 0.000 0.204 115 K C 1.944 178.493 176.600 -0.086 0.000 1.048 115 K CA 1.906 58.153 56.287 -0.067 0.000 0.940 115 K CB -1.118 31.347 32.500 -0.058 0.000 0.729 115 K HN 0.906 nan 8.250 nan 0.000 0.451 116 T N -2.264 112.261 114.554 -0.048 0.000 3.040 116 T HA 0.202 4.579 4.350 0.045 0.000 0.266 116 T C -0.016 174.691 174.700 0.013 0.000 1.005 116 T CA -0.381 61.699 62.100 -0.034 0.000 0.906 116 T CB 0.270 69.126 68.868 -0.021 0.000 1.082 116 T HN 0.057 nan 8.240 nan 0.000 0.531 117 E N 1.414 121.625 120.200 0.019 0.000 2.185 117 E HA 0.500 4.877 4.350 0.045 0.000 0.261 117 E C -1.635 175.011 176.600 0.076 0.000 0.879 117 E CA -0.681 55.758 56.400 0.064 0.000 0.756 117 E CB 2.606 32.335 29.700 0.047 0.000 1.152 117 E HN 0.235 nan 8.360 nan 0.000 0.416 118 L N 2.652 123.966 121.223 0.151 0.000 2.319 118 L HA 0.288 4.655 4.340 0.045 0.000 0.281 118 L C -0.501 176.516 176.870 0.244 0.000 1.005 118 L CA -0.252 54.687 54.840 0.165 0.000 0.828 118 L CB 1.526 43.680 42.059 0.159 0.000 1.227 118 L HN 0.397 nan 8.230 nan 0.000 0.415 119 Q N 5.038 124.928 119.800 0.150 0.000 2.290 119 Q HA 0.595 4.962 4.340 0.045 0.000 0.259 119 Q C -1.408 174.652 176.000 0.100 0.000 0.941 119 Q CA -0.462 55.428 55.803 0.144 0.000 0.912 119 Q CB 1.316 30.102 28.738 0.081 0.000 1.244 119 Q HN 0.703 nan 8.270 nan 0.000 0.441 120 I N 2.804 123.466 120.570 0.153 0.000 2.466 120 I HA 0.298 4.495 4.170 0.045 0.000 0.289 120 I C -0.232 175.915 176.117 0.050 0.000 1.026 120 I CA -0.669 60.655 61.300 0.040 0.000 1.078 120 I CB 2.167 40.199 38.000 0.054 0.000 1.249 120 I HN 0.531 nan 8.210 nan 0.000 0.429 121 T N 6.878 121.423 114.554 -0.016 0.000 2.885 121 T HA 0.786 5.162 4.350 0.045 0.000 0.285 121 T C -0.901 173.760 174.700 -0.064 0.000 1.019 121 T CA -0.461 61.637 62.100 -0.004 0.000 1.010 121 T CB 1.174 70.049 68.868 0.011 0.000 1.022 121 T HN 0.418 nan 8.240 nan 0.000 0.466 122 L N 3.773 124.960 121.223 -0.059 0.000 2.354 122 L HA 0.563 4.930 4.340 0.045 0.000 0.269 122 L C 1.476 178.320 176.870 -0.044 0.000 1.005 122 L CA -1.155 53.626 54.840 -0.100 0.000 0.819 122 L CB 1.975 43.931 42.059 -0.172 0.000 1.311 122 L HN 0.709 nan 8.230 nan 0.000 0.423 123 K N 0.560 120.928 120.400 -0.054 0.000 2.152 123 K HA -0.089 4.257 4.320 0.045 0.000 0.206 123 K C 0.478 177.078 176.600 0.001 0.000 1.048 123 K CA 1.281 57.551 56.287 -0.029 0.000 0.933 123 K CB 0.246 32.718 32.500 -0.046 0.000 0.721 123 K HN 0.744 nan 8.250 nan 0.000 0.447 124 S N -2.460 113.252 115.700 0.020 0.000 2.625 124 S HA 0.536 5.033 4.470 0.045 0.000 0.271 124 S C -0.938 173.747 174.600 0.142 0.000 1.161 124 S CA -0.765 57.482 58.200 0.078 0.000 0.820 124 S CB 1.698 64.952 63.200 0.089 0.000 1.137 124 S HN 0.058 nan 8.310 nan 0.000 0.470 125 A N 1.478 124.410 122.820 0.185 0.000 3.026 125 A HA 0.333 4.679 4.320 0.045 0.000 0.272 125 A C -0.397 177.437 177.584 0.416 0.000 1.782 125 A CA -0.178 52.026 52.037 0.277 0.000 1.451 125 A CB -1.532 17.595 19.000 0.212 0.000 1.081 125 A HN 0.836 nan 8.150 nan 0.000 0.611 126 Y N 3.131 123.519 120.300 0.147 0.000 2.624 126 Y HA 0.213 4.789 4.550 0.044 0.000 0.354 126 Y C 1.041 176.994 175.900 0.089 0.000 1.051 126 Y CA -0.878 57.257 58.100 0.058 0.000 1.377 126 Y CB -0.169 38.264 38.460 -0.045 0.000 1.168 126 Y HN 0.695 nan 8.280 nan 0.000 0.525 127 Y N 6.427 126.517 120.300 -0.350 0.000 2.165 127 Y HA 0.011 4.588 4.550 0.044 0.000 0.286 127 Y C -1.304 174.369 175.900 -0.377 0.000 1.155 127 Y CA 0.543 58.436 58.100 -0.345 0.000 1.164 127 Y CB -1.856 36.276 38.460 -0.547 0.000 0.978 127 Y HN 0.402 nan 8.280 nan 0.000 0.513 128 P HA 0.033 nan 4.420 nan 0.000 0.255 128 P C 1.157 178.181 177.300 -0.460 0.000 1.357 128 P CA 0.227 62.731 63.100 -0.993 0.000 0.839 128 P CB -0.866 29.951 31.700 -1.471 0.000 1.356 129 F N 1.089 120.769 119.950 -0.449 0.000 2.043 129 F HA -0.280 4.273 4.527 0.044 0.000 0.297 129 F C 1.690 177.329 175.800 -0.269 0.000 1.118 129 F CA 1.617 59.453 58.000 -0.274 0.000 1.202 129 F CB -0.407 38.304 39.000 -0.481 0.000 0.965 129 F HN -0.203 nan 8.300 nan 0.000 0.482 130 L N 0.019 120.899 121.223 -0.572 0.000 2.056 130 L HA -0.219 4.148 4.340 0.045 0.000 0.207 130 L C 2.559 179.249 176.870 -0.299 0.000 1.078 130 L CA 1.350 55.836 54.840 -0.590 0.000 0.749 130 L CB -0.936 40.900 42.059 -0.371 0.000 0.901 130 L HN 0.269 nan 8.230 nan 0.000 0.433 131 Q N -0.052 119.650 119.800 -0.164 0.000 2.084 131 Q HA -0.232 4.135 4.340 0.045 0.000 0.202 131 Q C 2.140 178.087 176.000 -0.088 0.000 0.978 131 Q CA 1.596 57.359 55.803 -0.068 0.000 0.844 131 Q CB -0.063 28.641 28.738 -0.057 0.000 0.898 131 Q HN 0.546 nan 8.270 nan 0.000 0.426 132 E N 0.426 120.582 120.200 -0.073 0.000 2.106 132 E HA -0.127 4.250 4.350 0.045 0.000 0.192 132 E C 1.999 178.613 176.600 0.023 0.000 0.984 132 E CA 0.567 56.990 56.400 0.038 0.000 0.806 132 E CB -0.023 29.780 29.700 0.173 0.000 0.750 132 E HN 0.330 nan 8.360 nan 0.000 0.458 133 L N 0.502 121.633 121.223 -0.154 0.000 2.261 133 L HA -0.158 4.209 4.340 0.045 0.000 0.216 133 L C 2.288 179.116 176.870 -0.070 0.000 1.114 133 L CA 0.723 55.469 54.840 -0.158 0.000 0.777 133 L CB -0.313 41.484 42.059 -0.437 0.000 0.910 133 L HN 0.125 nan 8.230 nan 0.000 0.440 134 A N -0.514 122.260 122.820 -0.077 0.000 2.238 134 A HA 0.176 4.523 4.320 0.045 0.000 0.208 134 A C 1.085 178.646 177.584 -0.038 0.000 1.177 134 A CA -0.077 51.936 52.037 -0.039 0.000 0.804 134 A CB -0.253 18.752 19.000 0.009 0.000 0.823 134 A HN 0.227 nan 8.150 nan 0.000 0.482 135 L N -0.540 120.663 121.223 -0.033 0.000 2.452 135 L HA 0.121 4.488 4.340 0.045 0.000 0.267 135 L C -1.305 175.576 176.870 0.018 0.000 1.188 135 L CA -1.628 53.195 54.840 -0.028 0.000 0.821 135 L CB 0.284 42.362 42.059 0.031 0.000 1.102 135 L HN 0.037 nan 8.230 nan 0.000 0.470 136 P HA -0.147 nan 4.420 nan 0.000 0.216 136 P C -0.604 176.689 177.300 -0.011 0.000 1.153 136 P CA 1.498 64.620 63.100 0.038 0.000 0.858 136 P CB 0.152 31.890 31.700 0.063 0.000 0.789 137 R N -2.749 117.752 120.500 0.001 0.000 2.668 137 R HA 0.458 4.825 4.340 0.045 0.000 0.272 137 R C -2.889 173.344 176.300 -0.111 0.000 1.019 137 R CA -1.788 54.239 56.100 -0.121 0.000 0.894 137 R CB 0.777 30.955 30.300 -0.204 0.000 1.228 137 R HN -0.190 nan 8.270 nan 0.000 0.460 138 P HA 0.238 nan 4.420 nan 0.000 0.282 138 P C -0.468 176.412 177.300 -0.700 0.000 1.327 138 P CA -0.113 62.615 63.100 -0.620 0.000 0.949 138 P CB 0.281 31.445 31.700 -0.893 0.000 1.445 139 F N 1.362 121.088 119.950 -0.374 0.000 2.783 139 F HA 0.260 4.813 4.527 0.044 0.000 0.338 139 F C 1.230 176.543 175.800 -0.811 0.000 1.178 139 F CA -0.252 57.377 58.000 -0.618 0.000 1.343 139 F CB -0.074 38.667 39.000 -0.430 0.000 1.496 139 F HN -0.300 nan 8.300 nan 0.000 0.583 140 R N -0.305 119.792 120.500 -0.672 0.000 2.930 140 R HA 0.622 4.989 4.340 0.045 0.000 0.257 140 R C -1.454 174.373 176.300 -0.789 0.000 1.107 140 R CA -1.073 54.570 56.100 -0.761 0.000 0.999 140 R CB 1.788 31.968 30.300 -0.199 0.000 1.209 140 R HN -0.007 nan 8.270 nan 0.000 0.486 141 F N 1.101 121.168 119.950 0.196 0.000 2.427 141 F HA 0.488 5.042 4.527 0.045 0.000 0.348 141 F C 0.244 176.359 175.800 0.525 0.000 1.125 141 F CA -0.693 57.521 58.000 0.357 0.000 0.989 141 F CB 1.263 40.548 39.000 0.475 0.000 1.165 141 F HN 0.192 nan 8.300 nan 0.000 0.442 142 I N 2.564 123.401 120.570 0.445 0.000 2.498 142 I HA 0.695 4.892 4.170 0.045 0.000 0.301 142 I C 0.073 176.225 176.117 0.057 0.000 0.984 142 I CA -0.878 60.636 61.300 0.356 0.000 1.204 142 I CB 1.369 39.429 38.000 0.099 0.000 1.362 142 I HN 0.734 nan 8.210 nan 0.000 0.471 143 A N 8.050 130.542 122.820 -0.546 0.000 2.545 143 A HA 0.203 4.550 4.320 0.045 0.000 0.253 143 A C -1.897 175.353 177.584 -0.556 0.000 1.074 143 A CA -0.762 50.569 52.037 -1.176 0.000 0.760 143 A CB -0.437 18.012 19.000 -0.920 0.000 1.005 143 A HN 0.655 nan 8.150 nan 0.000 0.506 144 P HA -0.207 nan 4.420 nan 0.000 0.217 144 P C 1.751 178.594 177.300 -0.762 0.000 1.148 144 P CA 1.937 64.378 63.100 -1.098 0.000 0.828 144 P CB 0.051 31.317 31.700 -0.723 0.000 0.783 145 S N -1.204 114.250 115.700 -0.409 0.000 2.469 145 S HA -0.169 4.328 4.470 0.045 0.000 0.238 145 S C 1.613 176.127 174.600 -0.143 0.000 0.998 145 S CA 0.938 59.002 58.200 -0.227 0.000 0.957 145 S CB -0.883 62.221 63.200 -0.160 0.000 0.764 145 S HN 0.124 nan 8.310 nan 0.000 0.514 146 Q N 0.222 119.952 119.800 -0.117 0.000 2.319 146 Q HA 0.361 4.728 4.340 0.045 0.000 0.202 146 Q C -0.098 176.009 176.000 0.178 0.000 0.896 146 Q CA -0.273 55.540 55.803 0.016 0.000 0.942 146 Q CB -0.245 28.503 28.738 0.018 0.000 1.083 146 Q HN 0.669 nan 8.270 nan 0.000 0.510 147 F N 1.921 121.836 119.950 -0.059 0.000 2.602 147 F HA -0.037 4.516 4.527 0.045 0.000 0.367 147 F C 1.107 176.857 175.800 -0.084 0.000 1.126 147 F CA 0.009 57.980 58.000 -0.049 0.000 1.321 147 F CB 0.544 39.528 39.000 -0.026 0.000 1.094 147 F HN -0.303 nan 8.300 nan 0.000 0.594 148 K N 2.684 123.140 120.400 0.093 0.000 2.285 148 K HA 0.013 4.360 4.320 0.045 0.000 0.286 148 K C 0.214 176.811 176.600 -0.005 0.000 1.072 148 K CA -0.351 55.945 56.287 0.014 0.000 0.913 148 K CB 0.514 33.013 32.500 -0.003 0.000 1.067 148 K HN 0.563 nan 8.250 nan 0.000 0.479 149 N N 3.228 121.885 118.700 -0.072 0.000 2.708 149 N HA -0.268 4.499 4.740 0.045 0.000 0.251 149 N C -0.668 174.866 175.510 0.041 0.000 1.017 149 N CA 1.183 54.184 53.050 -0.082 0.000 0.742 149 N CB -1.084 37.423 38.487 0.034 0.000 0.943 149 N HN 0.900 nan 8.380 nan 0.000 0.539 150 H N -3.546 115.649 119.070 0.207 0.000 3.257 150 H HA -0.156 4.426 4.556 0.045 0.000 0.222 150 H C -0.440 175.012 175.328 0.207 0.000 1.143 150 H CA 1.474 57.715 56.048 0.322 0.000 1.152 150 H CB -1.171 28.710 29.762 0.198 0.000 1.188 150 H HN 0.501 nan 8.280 nan 0.000 0.315 151 E N -0.057 120.180 120.200 0.062 0.000 2.359 151 E HA 0.410 4.787 4.350 0.045 0.000 0.266 151 E C 1.302 177.671 176.600 -0.384 0.000 0.920 151 E CA 0.236 56.526 56.400 -0.183 0.000 0.788 151 E CB 1.595 31.261 29.700 -0.057 0.000 1.279 151 E HN 0.242 nan 8.360 nan 0.000 0.438 152 T N -3.063 111.235 114.554 -0.426 0.000 2.969 152 T HA 0.012 4.389 4.350 0.045 0.000 0.250 152 T C 1.704 176.331 174.700 -0.122 0.000 1.021 152 T CA 0.220 62.155 62.100 -0.274 0.000 1.003 152 T CB -0.112 68.635 68.868 -0.201 0.000 1.040 152 T HN 0.489 nan 8.240 nan 0.000 0.492 153 M N 1.109 120.651 119.600 -0.095 0.000 2.358 153 M HA 0.147 4.654 4.480 0.045 0.000 0.264 153 M C 0.670 176.948 176.300 -0.038 0.000 1.064 153 M CA 1.355 56.628 55.300 -0.045 0.000 1.093 153 M CB -0.653 31.928 32.600 -0.032 0.000 1.401 153 M HN -0.020 nan 8.290 nan 0.000 0.440 154 N N 1.516 120.191 118.700 -0.043 0.000 2.273 154 N HA 0.370 5.137 4.740 0.045 0.000 0.231 154 N C 0.139 175.631 175.510 -0.030 0.000 1.134 154 N CA 0.808 53.841 53.050 -0.029 0.000 0.856 154 N CB 1.146 39.621 38.487 -0.019 0.000 1.068 154 N HN 0.615 nan 8.380 nan 0.000 0.510 155 G N 1.006 109.781 108.800 -0.042 0.000 2.539 155 G HA2 -0.036 3.951 3.960 0.045 0.000 0.686 155 G HA3 -0.036 3.951 3.960 0.045 0.000 0.686 155 G C -0.865 174.011 174.900 -0.040 0.000 1.258 155 G CA -0.819 44.258 45.100 -0.039 0.000 0.846 155 G HN 0.196 nan 8.290 nan 0.000 0.647 156 I N -2.159 118.393 120.570 -0.030 0.000 3.067 156 I HA 0.822 5.019 4.170 0.045 0.000 0.312 156 I C 0.779 176.900 176.117 0.007 0.000 1.073 156 I CA -1.401 59.897 61.300 -0.004 0.000 1.016 156 I CB 1.827 39.820 38.000 -0.013 0.000 1.227 156 I HN 0.627 nan 8.210 nan 0.000 0.456 157 K N 1.751 122.166 120.400 0.024 0.000 2.311 157 K HA 0.531 4.877 4.320 0.045 0.000 0.206 157 K C 0.454 177.061 176.600 0.012 0.000 1.056 157 K CA 0.225 56.520 56.287 0.012 0.000 1.051 157 K CB -0.257 32.248 32.500 0.010 0.000 1.299 157 K HN 0.741 nan 8.250 nan 0.000 0.461 158 A N 2.388 125.217 122.820 0.017 0.000 2.327 158 A HA 0.321 4.668 4.320 0.045 0.000 0.283 158 A C -2.369 175.247 177.584 0.053 0.000 1.127 158 A CA -1.397 50.652 52.037 0.019 0.000 0.810 158 A CB 0.155 19.162 19.000 0.011 0.000 1.066 158 A HN 0.190 nan 8.150 nan 0.000 0.492 159 P HA 0.219 nan 4.420 nan 0.000 0.225 159 P C -0.774 176.596 177.300 0.116 0.000 1.830 159 P CA -0.018 63.167 63.100 0.141 0.000 1.051 159 P CB -0.186 31.569 31.700 0.092 0.000 1.929 160 I N 1.740 122.405 120.570 0.158 0.000 2.301 160 I HA 0.328 4.525 4.170 0.045 0.000 0.292 160 I C 1.234 177.537 176.117 0.311 0.000 1.046 160 I CA 0.050 61.440 61.300 0.150 0.000 1.282 160 I CB 0.618 38.675 38.000 0.094 0.000 1.409 160 I HN 0.169 nan 8.210 nan 0.000 0.484 161 G N 3.841 112.745 108.800 0.173 0.000 2.753 161 G HA2 0.456 4.443 3.960 0.045 0.000 0.285 161 G HA3 0.456 4.443 3.960 0.045 0.000 0.285 161 G C 0.628 175.754 174.900 0.375 0.000 1.344 161 G CA -0.046 45.225 45.100 0.285 0.000 1.050 161 G HN 0.535 nan 8.290 nan 0.000 0.532 162 T N -2.719 111.996 114.554 0.268 0.000 3.069 162 T HA 0.341 4.718 4.350 0.045 0.000 0.252 162 T C 1.211 176.100 174.700 0.316 0.000 1.053 162 T CA 0.513 62.708 62.100 0.158 0.000 0.964 162 T CB 0.046 68.845 68.868 -0.114 0.000 1.005 162 T HN 0.746 nan 8.240 nan 0.000 0.532 163 G N 2.696 111.615 108.800 0.197 0.000 2.664 163 G HA2 0.385 4.371 3.960 0.045 0.000 0.242 163 G HA3 0.385 4.371 3.960 0.045 0.000 0.242 163 G C -1.169 173.556 174.900 -0.291 0.000 1.225 163 G CA -1.178 43.967 45.100 0.076 0.000 0.849 163 G HN 0.110 nan 8.290 nan 0.000 0.581 164 P HA -0.008 nan 4.420 nan 0.000 0.230 164 P C -0.431 176.272 177.300 -0.994 0.000 1.158 164 P CA 0.800 63.098 63.100 -1.337 0.000 0.769 164 P CB 0.212 31.011 31.700 -1.501 0.000 0.807 165 W N 0.103 121.301 121.300 -0.171 0.000 2.706 165 W HA 0.569 5.256 4.660 0.044 0.000 0.346 165 W C -0.035 176.524 176.519 0.065 0.000 1.071 165 W CA -0.846 56.490 57.345 -0.015 0.000 1.206 165 W CB 1.182 30.640 29.460 -0.004 0.000 1.413 165 W HN -0.360 nan 8.180 nan 0.000 0.542 166 I N 2.923 123.716 120.570 0.372 0.000 2.509 166 I HA 0.233 4.430 4.170 0.045 0.000 0.293 166 I C -0.707 175.465 176.117 0.091 0.000 1.020 166 I CA -1.314 60.098 61.300 0.187 0.000 1.088 166 I CB 1.618 39.676 38.000 0.096 0.000 1.267 166 I HN 0.121 nan 8.210 nan 0.000 0.430 167 L N 6.030 127.162 121.223 -0.151 0.000 2.515 167 L HA 0.083 4.450 4.340 0.045 0.000 0.281 167 L C 1.266 177.963 176.870 -0.288 0.000 1.131 167 L CA 0.835 55.348 54.840 -0.545 0.000 0.905 167 L CB 0.338 42.098 42.059 -0.498 0.000 1.246 167 L HN 0.722 nan 8.230 nan 0.000 0.463 168 Q N 3.360 123.013 119.800 -0.246 0.000 1.994 168 Q HA -0.026 4.341 4.340 0.045 0.000 0.198 168 Q C 0.072 176.012 176.000 -0.099 0.000 0.976 168 Q CA 1.300 57.036 55.803 -0.111 0.000 0.828 168 Q CB 0.379 29.086 28.738 -0.052 0.000 0.894 168 Q HN 0.789 nan 8.270 nan 0.000 0.432 169 E N -0.764 119.372 120.200 -0.106 0.000 2.392 169 E HA 0.335 4.712 4.350 0.045 0.000 0.279 169 E C -1.934 174.677 176.600 0.018 0.000 0.964 169 E CA -0.363 56.030 56.400 -0.013 0.000 0.777 169 E CB 2.365 32.106 29.700 0.068 0.000 1.249 169 E HN 0.009 nan 8.360 nan 0.000 0.449 170 S N 2.201 117.921 115.700 0.034 0.000 2.720 170 S HA 0.339 4.836 4.470 0.045 0.000 0.278 170 S C -1.523 173.038 174.600 -0.065 0.000 1.172 170 S CA -0.664 57.534 58.200 -0.002 0.000 1.019 170 S CB 0.814 63.973 63.200 -0.068 0.000 1.049 170 S HN 0.285 nan 8.310 nan 0.000 0.483 171 K N 3.775 124.043 120.400 -0.221 0.000 2.389 171 K HA 0.308 4.655 4.320 0.045 0.000 0.261 171 K C -0.722 175.707 176.600 -0.285 0.000 1.014 171 K CA -0.787 55.265 56.287 -0.391 0.000 0.920 171 K CB 1.217 33.145 32.500 -0.953 0.000 1.149 171 K HN 0.602 nan 8.250 nan 0.000 0.444 172 L N 3.783 124.911 121.223 -0.158 0.000 2.601 172 L HA -0.112 4.255 4.340 0.045 0.000 0.277 172 L C 0.798 177.610 176.870 -0.095 0.000 1.219 172 L CA 1.294 56.077 54.840 -0.095 0.000 0.915 172 L CB -0.468 41.553 42.059 -0.063 0.000 1.160 172 L HN 0.835 nan 8.230 nan 0.000 0.494 173 N N 1.471 120.139 118.700 -0.053 0.000 2.863 173 N HA -0.265 4.502 4.740 0.045 0.000 0.245 173 N C 0.647 176.131 175.510 -0.043 0.000 1.001 173 N CA 1.879 54.911 53.050 -0.030 0.000 0.901 173 N CB -0.635 37.836 38.487 -0.027 0.000 1.124 173 N HN 0.903 nan 8.380 nan 0.000 0.582 174 Q N -2.529 117.203 119.800 -0.114 0.000 2.631 174 Q HA 0.253 4.620 4.340 0.045 0.000 0.220 174 Q C -0.575 175.432 176.000 0.012 0.000 0.819 174 Q CA 0.790 56.519 55.803 -0.122 0.000 0.914 174 Q CB 0.860 29.414 28.738 -0.308 0.000 1.248 174 Q HN 0.501 nan 8.270 nan 0.000 0.629 175 Y N -2.121 118.230 120.300 0.085 0.000 2.713 175 Y HA 0.598 5.175 4.550 0.045 0.000 0.335 175 Y C -2.089 173.874 175.900 0.104 0.000 1.222 175 Y CA -1.730 56.442 58.100 0.121 0.000 1.061 175 Y CB 0.888 39.408 38.460 0.101 0.000 1.314 175 Y HN -0.220 nan 8.280 nan 0.000 0.453 176 D N 0.943 121.631 120.400 0.480 0.000 2.780 176 D HA 0.574 5.241 4.640 0.045 0.000 0.242 176 D C -1.336 175.157 176.300 0.322 0.000 1.135 176 D CA -0.419 53.766 54.000 0.308 0.000 0.859 176 D CB 3.121 44.008 40.800 0.146 0.000 1.530 176 D HN 0.484 nan 8.370 nan 0.000 0.493 177 V N 2.381 122.362 119.914 0.112 0.000 2.448 177 V HA 0.496 4.643 4.120 0.045 0.000 0.295 177 V C -0.503 175.557 176.094 -0.056 0.000 1.025 177 V CA -0.657 61.683 62.300 0.066 0.000 0.859 177 V CB 0.980 32.776 31.823 -0.045 0.000 0.988 177 V HN 0.363 nan 8.190 nan 0.000 0.431 178 F N 2.966 122.925 119.950 0.015 0.000 2.541 178 F HA 0.833 5.387 4.527 0.045 0.000 0.331 178 F C 0.096 175.931 175.800 0.058 0.000 1.057 178 F CA -0.821 57.188 58.000 0.015 0.000 0.975 178 F CB 2.145 41.102 39.000 -0.073 0.000 1.246 178 F HN 0.217 nan 8.300 nan 0.000 0.484 179 V N 1.285 121.440 119.914 0.402 0.000 2.932 179 V HA 0.389 4.536 4.120 0.045 0.000 0.307 179 V C -0.748 175.604 176.094 0.431 0.000 1.147 179 V CA -1.114 61.380 62.300 0.324 0.000 0.951 179 V CB 2.317 34.231 31.823 0.153 0.000 1.031 179 V HN 0.720 nan 8.190 nan 0.000 0.426 180 R N 3.235 123.916 120.500 0.303 0.000 2.537 180 R HA 0.121 4.488 4.340 0.045 0.000 0.280 180 R C 0.085 176.345 176.300 -0.066 0.000 1.058 180 R CA -0.180 55.887 56.100 -0.056 0.000 1.057 180 R CB 0.391 30.596 30.300 -0.158 0.000 0.973 180 R HN 0.733 nan 8.270 nan 0.000 0.438 181 N N 3.427 122.021 118.700 -0.176 0.000 2.400 181 N HA -0.051 4.716 4.740 0.045 0.000 0.267 181 N C 0.018 175.500 175.510 -0.045 0.000 1.208 181 N CA 0.120 53.125 53.050 -0.074 0.000 0.951 181 N CB 0.874 39.313 38.487 -0.081 0.000 1.227 181 N HN 0.576 nan 8.380 nan 0.000 0.488 182 E N 2.071 122.266 120.200 -0.007 0.000 2.409 182 E HA -0.063 4.313 4.350 0.045 0.000 0.198 182 E C -0.149 176.464 176.600 0.022 0.000 1.024 182 E CA 0.665 57.065 56.400 0.001 0.000 0.861 182 E CB 0.098 29.803 29.700 0.008 0.000 0.788 182 E HN 0.596 nan 8.360 nan 0.000 0.521 183 N N 0.213 118.942 118.700 0.049 0.000 2.338 183 N HA -0.030 4.737 4.740 0.045 0.000 0.251 183 N C -0.158 175.419 175.510 0.110 0.000 1.199 183 N CA -0.246 52.843 53.050 0.066 0.000 0.879 183 N CB 0.277 38.805 38.487 0.067 0.000 1.159 183 N HN 0.080 nan 8.380 nan 0.000 0.514 184 Y N 2.214 122.477 120.300 -0.062 0.000 2.683 184 Y HA -0.139 4.437 4.550 0.044 0.000 0.340 184 Y C 1.661 177.514 175.900 -0.078 0.000 1.245 184 Y CA -0.376 57.665 58.100 -0.098 0.000 1.485 184 Y CB 0.453 38.773 38.460 -0.234 0.000 1.328 184 Y HN 0.235 nan 8.280 nan 0.000 0.603 185 W N 4.134 125.050 121.300 -0.639 0.000 2.518 185 W HA 0.214 4.900 4.660 0.044 0.000 0.273 185 W C 0.309 176.409 176.519 -0.698 0.000 1.247 185 W CA 0.589 57.585 57.345 -0.582 0.000 1.288 185 W CB -1.102 28.043 29.460 -0.524 0.000 1.107 185 W HN 0.643 nan 8.180 nan 0.000 0.586 186 G N 1.074 108.619 108.800 -2.090 0.000 2.736 186 G HA2 0.261 4.248 3.960 0.045 0.000 0.229 186 G HA3 0.261 4.248 3.960 0.045 0.000 0.229 186 G C -0.916 173.648 174.900 -0.559 0.000 1.380 186 G CA -0.956 43.235 45.100 -1.516 0.000 1.040 186 G HN 0.058 nan 8.290 nan 0.000 0.568 187 E N 0.554 120.586 120.200 -0.281 0.000 2.465 187 E HA 0.116 4.492 4.350 0.045 0.000 0.260 187 E C 0.157 176.755 176.600 -0.003 0.000 0.980 187 E CA 0.226 56.571 56.400 -0.091 0.000 0.927 187 E CB 0.553 30.225 29.700 -0.046 0.000 0.934 187 E HN 0.455 nan 8.360 nan 0.000 0.459 188 K N 3.779 124.156 120.400 -0.038 0.000 2.379 188 K HA 0.235 4.582 4.320 0.045 0.000 0.284 188 K C -2.438 174.100 176.600 -0.103 0.000 1.044 188 K CA -1.499 54.746 56.287 -0.070 0.000 0.974 188 K CB 0.323 32.787 32.500 -0.060 0.000 0.962 188 K HN 0.047 nan 8.250 nan 0.000 0.474 189 P HA -0.069 nan 4.420 nan 0.000 0.266 189 P C 0.052 177.324 177.300 -0.047 0.000 1.195 189 P CA -0.036 62.967 63.100 -0.161 0.000 0.768 189 P CB 1.060 32.486 31.700 -0.455 0.000 0.838 190 A N 4.283 127.121 122.820 0.029 0.000 1.930 190 A HA -0.044 4.303 4.320 0.045 0.000 0.217 190 A C 1.092 178.728 177.584 0.086 0.000 1.175 190 A CA 0.984 53.049 52.037 0.047 0.000 0.627 190 A CB -0.623 18.407 19.000 0.049 0.000 0.815 190 A HN 0.483 nan 8.150 nan 0.000 0.443 191 I N 0.545 121.219 120.570 0.173 0.000 2.588 191 I HA 0.051 4.248 4.170 0.045 0.000 0.283 191 I C 1.470 177.746 176.117 0.265 0.000 1.119 191 I CA 0.382 61.815 61.300 0.222 0.000 1.419 191 I CB 1.115 39.271 38.000 0.259 0.000 1.394 191 I HN 0.258 nan 8.210 nan 0.000 0.562 192 K N 6.093 126.603 120.400 0.183 0.000 2.313 192 K HA 0.165 4.512 4.320 0.045 0.000 0.197 192 K C 0.625 177.358 176.600 0.222 0.000 1.061 192 K CA 0.560 56.945 56.287 0.163 0.000 0.980 192 K CB 0.411 32.958 32.500 0.078 0.000 0.888 192 K HN 0.712 nan 8.250 nan 0.000 0.502 193 K N 0.084 120.573 120.400 0.149 0.000 2.513 193 K HA 0.515 4.862 4.320 0.045 0.000 0.251 193 K C -1.727 174.842 176.600 -0.052 0.000 0.939 193 K CA -0.692 55.641 56.287 0.077 0.000 0.793 193 K CB 1.735 34.253 32.500 0.029 0.000 1.241 193 K HN 0.231 nan 8.250 nan 0.000 0.431 194 I N 2.539 123.029 120.570 -0.133 0.000 2.478 194 I HA 0.242 4.439 4.170 0.045 0.000 0.287 194 I C -0.686 175.323 176.117 -0.181 0.000 1.042 194 I CA -0.657 60.441 61.300 -0.335 0.000 1.067 194 I CB 2.367 39.901 38.000 -0.775 0.000 1.233 194 I HN 0.452 nan 8.210 nan 0.000 0.431 195 T N 5.928 120.344 114.554 -0.229 0.000 2.758 195 T HA 0.518 4.895 4.350 0.045 0.000 0.285 195 T C -0.632 173.971 174.700 -0.162 0.000 0.981 195 T CA -0.245 61.797 62.100 -0.097 0.000 0.965 195 T CB 0.436 69.232 68.868 -0.119 0.000 0.927 195 T HN 0.110 nan 8.240 nan 0.000 0.448 196 F N 3.055 123.052 119.950 0.078 0.000 2.361 196 F HA 0.348 4.902 4.527 0.044 0.000 0.364 196 F C 1.064 176.990 175.800 0.210 0.000 1.120 196 F CA -0.784 57.308 58.000 0.154 0.000 1.102 196 F CB 0.787 39.923 39.000 0.227 0.000 1.183 196 F HN 0.465 nan 8.300 nan 0.000 0.476 197 N N 2.339 121.221 118.700 0.302 0.000 2.472 197 N HA 0.263 5.030 4.740 0.045 0.000 0.277 197 N C -0.942 174.738 175.510 0.283 0.000 1.081 197 N CA -0.568 52.645 53.050 0.270 0.000 0.973 197 N CB 1.633 40.224 38.487 0.173 0.000 1.105 197 N HN 0.209 nan 8.380 nan 0.000 0.470 198 V N 4.887 124.947 119.914 0.243 0.000 2.397 198 V HA 0.137 4.283 4.120 0.045 0.000 0.262 198 V C 0.171 176.341 176.094 0.126 0.000 1.047 198 V CA 0.336 62.752 62.300 0.192 0.000 1.003 198 V CB -0.700 31.207 31.823 0.140 0.000 1.037 198 V HN 0.537 nan 8.190 nan 0.000 0.480 199 I N 8.044 128.679 120.570 0.108 0.000 2.542 199 I HA 0.306 4.503 4.170 0.045 0.000 0.278 199 I C -1.661 174.462 176.117 0.010 0.000 1.069 199 I CA -1.402 59.933 61.300 0.058 0.000 1.100 199 I CB 2.491 40.532 38.000 0.068 0.000 1.204 199 I HN 0.368 nan 8.210 nan 0.000 0.470 200 P HA -0.047 nan 4.420 nan 0.000 0.224 200 P C 0.226 177.493 177.300 -0.056 0.000 1.157 200 P CA 0.733 63.808 63.100 -0.043 0.000 0.799 200 P CB 0.232 31.916 31.700 -0.027 0.000 0.809 201 D N 0.571 120.950 120.400 -0.034 0.000 2.312 201 D HA 0.096 4.763 4.640 0.045 0.000 0.252 201 D C -1.486 174.788 176.300 -0.043 0.000 1.150 201 D CA -2.238 51.739 54.000 -0.038 0.000 0.870 201 D CB 1.054 41.841 40.800 -0.022 0.000 1.153 201 D HN -0.121 nan 8.370 nan 0.000 0.457 202 P HA -0.171 nan 4.420 nan 0.000 0.215 202 P C 1.311 178.584 177.300 -0.044 0.000 1.153 202 P CA 1.547 64.606 63.100 -0.069 0.000 0.853 202 P CB -0.050 31.597 31.700 -0.088 0.000 0.788 203 T N -3.433 111.097 114.554 -0.039 0.000 2.942 203 T HA -0.074 4.303 4.350 0.045 0.000 0.265 203 T C 1.695 176.399 174.700 0.007 0.000 1.062 203 T CA 1.802 63.887 62.100 -0.025 0.000 1.139 203 T CB -1.534 67.313 68.868 -0.034 0.000 0.883 203 T HN -0.003 nan 8.240 nan 0.000 0.468 204 T N 1.636 116.194 114.554 0.007 0.000 2.833 204 T HA -0.008 4.369 4.350 0.045 0.000 0.269 204 T C 2.131 176.858 174.700 0.045 0.000 1.054 204 T CA 1.044 63.158 62.100 0.025 0.000 1.135 204 T CB -0.224 68.654 68.868 0.018 0.000 0.869 204 T HN 0.442 nan 8.240 nan 0.000 0.466 205 R N 0.998 121.520 120.500 0.037 0.000 2.070 205 R HA 0.020 4.387 4.340 0.045 0.000 0.233 205 R C 2.951 179.325 176.300 0.122 0.000 1.137 205 R CA 1.330 57.470 56.100 0.066 0.000 0.945 205 R CB -0.648 29.672 30.300 0.033 0.000 0.845 205 R HN 0.388 nan 8.270 nan 0.000 0.430 206 A N 0.881 123.768 122.820 0.111 0.000 1.892 206 A HA -0.180 4.167 4.320 0.045 0.000 0.218 206 A C 2.406 180.143 177.584 0.255 0.000 1.188 206 A CA 1.913 54.076 52.037 0.209 0.000 0.631 206 A CB -0.787 18.261 19.000 0.081 0.000 0.822 206 A HN 0.145 nan 8.150 nan 0.000 0.447 207 V N -0.258 119.745 119.914 0.148 0.000 2.287 207 V HA -0.271 3.876 4.120 0.045 0.000 0.248 207 V C 3.063 179.212 176.094 0.092 0.000 1.053 207 V CA 2.095 64.464 62.300 0.115 0.000 1.027 207 V CB -1.361 30.503 31.823 0.069 0.000 0.646 207 V HN 0.649 nan 8.190 nan 0.000 0.447 208 A N -0.643 122.233 122.820 0.093 0.000 1.933 208 A HA -0.249 4.098 4.320 0.045 0.000 0.218 208 A C 2.111 179.721 177.584 0.043 0.000 1.175 208 A CA 2.045 54.120 52.037 0.062 0.000 0.628 208 A CB -0.727 18.318 19.000 0.074 0.000 0.814 208 A HN 0.534 nan 8.150 nan 0.000 0.444 209 F N 0.544 120.479 119.950 -0.025 0.000 2.102 209 F HA -0.162 4.392 4.527 0.045 0.000 0.298 209 F C 2.209 177.890 175.800 -0.198 0.000 1.105 209 F CA 2.263 60.201 58.000 -0.102 0.000 1.239 209 F CB -0.293 38.640 39.000 -0.112 0.000 0.991 209 F HN 0.386 nan 8.300 nan 0.000 0.474 210 E N -0.585 119.524 120.200 -0.152 0.000 2.077 210 E HA -0.218 4.158 4.350 0.045 0.000 0.193 210 E C 2.094 178.586 176.600 -0.181 0.000 0.989 210 E CA 1.970 58.229 56.400 -0.234 0.000 0.800 210 E CB -0.207 29.506 29.700 0.021 0.000 0.746 210 E HN 0.544 nan 8.360 nan 0.000 0.452 211 T N -3.195 111.293 114.554 -0.109 0.000 3.007 211 T HA 0.030 4.407 4.350 0.045 0.000 0.270 211 T C 1.577 176.197 174.700 -0.133 0.000 1.107 211 T CA 0.901 62.952 62.100 -0.082 0.000 1.118 211 T CB 0.045 68.890 68.868 -0.038 0.000 0.889 211 T HN 0.374 nan 8.240 nan 0.000 0.506 212 G N 1.077 109.735 108.800 -0.237 0.000 2.176 212 G HA2 -0.251 3.736 3.960 0.045 0.000 0.232 212 G HA3 -0.251 3.736 3.960 0.045 0.000 0.232 212 G C 0.580 175.380 174.900 -0.167 0.000 0.986 212 G CA 0.284 45.233 45.100 -0.251 0.000 0.643 212 G HN 0.479 nan 8.290 nan 0.000 0.522 213 D N 0.315 120.649 120.400 -0.111 0.000 2.221 213 D HA -0.005 4.661 4.640 0.045 0.000 0.204 213 D C 1.613 177.887 176.300 -0.044 0.000 0.982 213 D CA 1.694 55.661 54.000 -0.055 0.000 0.857 213 D CB 0.081 40.870 40.800 -0.018 0.000 0.934 213 D HN 0.910 nan 8.370 nan 0.000 0.475 214 I N -3.355 117.185 120.570 -0.050 0.000 2.828 214 I HA 0.327 4.524 4.170 0.045 0.000 0.302 214 I C -0.233 175.892 176.117 0.014 0.000 1.101 214 I CA -0.807 60.496 61.300 0.006 0.000 1.031 214 I CB 2.533 40.581 38.000 0.079 0.000 1.231 214 I HN -0.442 nan 8.210 nan 0.000 0.427 215 D N 2.946 123.386 120.400 0.066 0.000 2.388 215 D HA 0.309 4.976 4.640 0.045 0.000 0.208 215 D C 0.017 176.492 176.300 0.290 0.000 1.035 215 D CA 0.823 54.894 54.000 0.119 0.000 0.875 215 D CB 1.458 42.287 40.800 0.048 0.000 0.984 215 D HN 0.329 nan 8.370 nan 0.000 0.508 216 L N 1.078 122.442 121.223 0.235 0.000 2.464 216 L HA 0.410 4.777 4.340 0.045 0.000 0.266 216 L C -1.755 175.214 176.870 0.166 0.000 0.965 216 L CA -0.514 54.441 54.840 0.192 0.000 0.833 216 L CB 2.375 44.519 42.059 0.143 0.000 1.296 216 L HN -0.236 nan 8.230 nan 0.000 0.405 217 L N 4.369 125.660 121.223 0.114 0.000 2.386 217 L HA 0.530 4.897 4.340 0.045 0.000 0.271 217 L C -1.611 175.358 176.870 0.165 0.000 0.993 217 L CA -0.681 54.230 54.840 0.118 0.000 0.819 217 L CB 2.354 44.430 42.059 0.028 0.000 1.294 217 L HN 0.484 nan 8.230 nan 0.000 0.414 218 Y N 2.048 122.378 120.300 0.049 0.000 2.362 218 Y HA 0.709 5.286 4.550 0.045 0.000 0.326 218 Y C -0.247 175.698 175.900 0.075 0.000 1.083 218 Y CA -0.304 57.816 58.100 0.032 0.000 1.073 218 Y CB 2.000 40.444 38.460 -0.027 0.000 1.211 218 Y HN 0.638 nan 8.280 nan 0.000 0.433 219 G N 3.856 112.633 108.800 -0.039 0.000 2.427 219 G HA2 0.229 4.215 3.960 0.045 0.000 0.306 219 G HA3 0.229 4.215 3.960 0.045 0.000 0.306 219 G C -1.570 173.250 174.900 -0.134 0.000 1.280 219 G CA -0.822 44.285 45.100 0.012 0.000 0.837 219 G HN 0.777 nan 8.290 nan 0.000 0.482 220 N N -0.668 117.971 118.700 -0.102 0.000 2.547 220 N HA 0.226 4.993 4.740 0.045 0.000 0.301 220 N C 1.347 176.746 175.510 -0.186 0.000 1.328 220 N CA 0.361 53.329 53.050 -0.137 0.000 0.932 220 N CB 0.102 38.541 38.487 -0.079 0.000 1.104 220 N HN 0.570 nan 8.380 nan 0.000 0.548 221 E N -1.433 118.664 120.200 -0.171 0.000 2.338 221 E HA -0.064 4.313 4.350 0.045 0.000 0.197 221 E C 1.109 177.599 176.600 -0.183 0.000 1.007 221 E CA 1.315 57.599 56.400 -0.193 0.000 0.849 221 E CB -0.988 28.621 29.700 -0.152 0.000 0.774 221 E HN 0.747 nan 8.360 nan 0.000 0.506 222 G N 1.080 109.783 108.800 -0.163 0.000 3.233 222 G HA2 0.070 4.057 3.960 0.045 0.000 0.227 222 G HA3 0.070 4.057 3.960 0.045 0.000 0.227 222 G C 1.244 176.041 174.900 -0.171 0.000 1.175 222 G CA 0.094 45.098 45.100 -0.159 0.000 0.781 222 G HN 0.216 nan 8.290 nan 0.000 0.542 223 L N 0.387 121.500 121.223 -0.184 0.000 2.012 223 L HA 0.222 4.589 4.340 0.045 0.000 0.210 223 L C 0.965 177.755 176.870 -0.134 0.000 1.073 223 L CA 1.764 56.504 54.840 -0.166 0.000 0.748 223 L CB -0.161 41.799 42.059 -0.166 0.000 0.891 223 L HN 0.358 nan 8.230 nan 0.000 0.431 224 L N -6.497 114.641 121.223 -0.142 0.000 2.720 224 L HA 0.587 4.954 4.340 0.045 0.000 0.261 224 L C -2.727 174.057 176.870 -0.142 0.000 1.046 224 L CA -1.932 52.839 54.840 -0.116 0.000 0.886 224 L CB 0.870 42.882 42.059 -0.079 0.000 1.493 224 L HN -0.366 nan 8.230 nan 0.000 0.407 225 P HA 0.197 nan 4.420 nan 0.000 0.264 225 P C 0.591 177.773 177.300 -0.195 0.000 1.193 225 P CA 0.025 63.026 63.100 -0.165 0.000 0.763 225 P CB 0.670 32.266 31.700 -0.173 0.000 0.810 226 L N 2.019 123.138 121.223 -0.172 0.000 2.156 226 L HA -0.144 4.223 4.340 0.045 0.000 0.208 226 L C 2.003 178.678 176.870 -0.326 0.000 1.095 226 L CA 1.363 56.124 54.840 -0.131 0.000 0.770 226 L CB -0.708 41.324 42.059 -0.046 0.000 0.914 226 L HN 0.420 nan 8.230 nan 0.000 0.439 227 D N -0.997 119.023 120.400 -0.634 0.000 2.097 227 D HA -0.193 4.474 4.640 0.045 0.000 0.195 227 D C 1.847 177.742 176.300 -0.674 0.000 0.989 227 D CA 1.957 55.251 54.000 -1.176 0.000 0.827 227 D CB -0.792 39.428 40.800 -0.966 0.000 0.966 227 D HN 0.113 nan 8.370 nan 0.000 0.456 228 T N -0.131 114.116 114.554 -0.512 0.000 2.708 228 T HA -0.115 4.262 4.350 0.045 0.000 0.266 228 T C 1.501 175.697 174.700 -0.840 0.000 1.037 228 T CA 1.176 62.877 62.100 -0.664 0.000 1.146 228 T CB -0.735 67.747 68.868 -0.643 0.000 0.865 228 T HN 0.198 nan 8.240 nan 0.000 0.435 229 F N 2.349 121.910 119.950 -0.648 0.000 2.120 229 F HA -0.144 4.410 4.527 0.045 0.000 0.300 229 F C 2.390 178.037 175.800 -0.255 0.000 1.095 229 F CA 1.137 58.876 58.000 -0.434 0.000 1.249 229 F CB -0.677 38.165 39.000 -0.263 0.000 0.995 229 F HN 0.150 nan 8.300 nan 0.000 0.480 230 A N 0.552 123.204 122.820 -0.279 0.000 1.873 230 A HA -0.177 4.170 4.320 0.045 0.000 0.215 230 A C 2.428 179.905 177.584 -0.178 0.000 1.186 230 A CA 1.524 53.444 52.037 -0.195 0.000 0.616 230 A CB -0.948 18.095 19.000 0.071 0.000 0.823 230 A HN 0.438 nan 8.150 nan 0.000 0.442 231 R N -1.260 119.129 120.500 -0.184 0.000 2.113 231 R HA -0.204 4.163 4.340 0.045 0.000 0.244 231 R C 1.830 178.221 176.300 0.152 0.000 1.142 231 R CA 2.169 58.251 56.100 -0.029 0.000 0.953 231 R CB -0.478 29.797 30.300 -0.043 0.000 0.860 231 R HN 0.466 nan 8.270 nan 0.000 0.438 232 F N 0.936 120.835 119.950 -0.085 0.000 2.095 232 F HA -0.188 4.366 4.527 0.045 0.000 0.298 232 F C 2.745 178.486 175.800 -0.097 0.000 1.104 232 F CA 1.474 59.482 58.000 0.012 0.000 1.232 232 F CB -1.467 37.442 39.000 -0.152 0.000 0.987 232 F HN 0.168 nan 8.300 nan 0.000 0.475 233 S N -0.447 115.151 115.700 -0.171 0.000 2.462 233 S HA -0.230 4.267 4.470 0.045 0.000 0.243 233 S C 1.517 176.087 174.600 -0.051 0.000 1.003 233 S CA 1.295 59.373 58.200 -0.203 0.000 0.970 233 S CB -0.649 62.348 63.200 -0.339 0.000 0.762 233 S HN 0.608 nan 8.310 nan 0.000 0.510 234 Q N 0.264 120.066 119.800 0.004 0.000 2.281 234 Q HA 0.285 4.652 4.340 0.045 0.000 0.215 234 Q C -0.157 175.849 176.000 0.011 0.000 0.867 234 Q CA -0.215 55.596 55.803 0.012 0.000 0.940 234 Q CB 0.239 28.989 28.738 0.020 0.000 1.111 234 Q HN 0.410 nan 8.270 nan 0.000 0.513 235 N N 1.673 120.386 118.700 0.022 0.000 2.457 235 N HA 0.108 4.875 4.740 0.045 0.000 0.250 235 N C -1.971 173.458 175.510 -0.135 0.000 0.982 235 N CA -1.994 51.004 53.050 -0.087 0.000 0.941 235 N CB 1.407 39.803 38.487 -0.152 0.000 1.120 235 N HN -0.070 nan 8.380 nan 0.000 0.505 236 P HA -0.075 nan 4.420 nan 0.000 0.228 236 P C 0.777 178.006 177.300 -0.118 0.000 1.151 236 P CA 0.542 63.600 63.100 -0.070 0.000 0.770 236 P CB 0.287 31.953 31.700 -0.055 0.000 0.786 237 A N -1.560 121.087 122.820 -0.288 0.000 2.019 237 A HA -0.093 4.254 4.320 0.045 0.000 0.219 237 A C 0.755 178.225 177.584 -0.190 0.000 1.164 237 A CA 1.067 52.893 52.037 -0.352 0.000 0.644 237 A CB -0.878 17.770 19.000 -0.585 0.000 0.805 237 A HN 0.117 nan 8.150 nan 0.000 0.449 238 Y N -2.244 118.081 120.300 0.042 0.000 2.631 238 Y HA 0.654 5.230 4.550 0.045 0.000 0.328 238 Y C 0.138 176.130 175.900 0.152 0.000 1.118 238 Y CA -1.965 56.206 58.100 0.119 0.000 1.206 238 Y CB 0.474 38.962 38.460 0.047 0.000 1.337 238 Y HN 0.285 nan 8.280 nan 0.000 0.515 239 H N -0.373 118.843 119.070 0.243 0.000 2.679 239 H HA 0.639 5.222 4.556 0.045 0.000 0.360 239 H C -1.104 174.268 175.328 0.072 0.000 1.105 239 H CA -0.581 55.540 56.048 0.121 0.000 1.196 239 H CB 1.574 31.399 29.762 0.105 0.000 1.636 239 H HN 0.722 nan 8.280 nan 0.000 0.531 240 T N 2.043 116.312 114.554 -0.475 0.000 2.896 240 T HA 0.659 5.035 4.350 0.045 0.000 0.297 240 T C -0.917 173.588 174.700 -0.325 0.000 1.108 240 T CA -1.012 60.910 62.100 -0.296 0.000 1.004 240 T CB 2.248 70.923 68.868 -0.320 0.000 1.159 240 T HN 0.648 nan 8.240 nan 0.000 0.499 241 Q N 0.393 120.204 119.800 0.018 0.000 2.377 241 Q HA 0.699 5.066 4.340 0.045 0.000 0.279 241 Q C -1.969 174.164 176.000 0.220 0.000 1.049 241 Q CA -0.980 54.881 55.803 0.097 0.000 0.825 241 Q CB 3.000 31.801 28.738 0.104 0.000 1.401 241 Q HN 0.658 nan 8.270 nan 0.000 0.404 242 L N 1.483 122.808 121.223 0.170 0.000 2.406 242 L HA 0.515 4.881 4.340 0.045 0.000 0.272 242 L C -0.444 176.409 176.870 -0.028 0.000 0.980 242 L CA -0.109 54.749 54.840 0.030 0.000 0.831 242 L CB 2.035 44.126 42.059 0.054 0.000 1.253 242 L HN 0.830 nan 8.230 nan 0.000 0.406 243 S N 3.380 118.934 115.700 -0.243 0.000 2.641 243 S HA 0.467 4.963 4.470 0.045 0.000 0.261 243 S C 0.028 174.478 174.600 -0.250 0.000 1.257 243 S CA -0.635 57.293 58.200 -0.453 0.000 0.983 243 S CB 0.583 63.093 63.200 -1.151 0.000 0.990 243 S HN 0.704 nan 8.310 nan 0.000 0.572 244 Q N 0.685 120.356 119.800 -0.215 0.000 2.443 244 Q HA 0.300 4.667 4.340 0.045 0.000 0.232 244 Q C -2.341 173.573 176.000 -0.143 0.000 1.026 244 Q CA -1.630 54.096 55.803 -0.128 0.000 0.924 244 Q CB -0.465 28.221 28.738 -0.086 0.000 1.256 244 Q HN 0.471 nan 8.270 nan 0.000 0.519 245 P HA -0.050 nan 4.420 nan 0.000 0.268 245 P C 0.034 177.287 177.300 -0.079 0.000 1.205 245 P CA 0.543 63.603 63.100 -0.067 0.000 0.771 245 P CB 0.322 32.017 31.700 -0.009 0.000 0.858 246 I N 0.021 120.552 120.570 -0.064 0.000 3.790 246 I HA 0.334 4.531 4.170 0.045 0.000 0.305 246 I C 0.550 176.666 176.117 -0.002 0.000 1.253 246 I CA 0.259 61.535 61.300 -0.040 0.000 1.355 246 I CB 0.143 38.117 38.000 -0.044 0.000 1.137 246 I HN 0.294 nan 8.210 nan 0.000 0.435 247 E N 0.974 121.178 120.200 0.006 0.000 2.439 247 E HA 0.349 4.726 4.350 0.045 0.000 0.279 247 E C -1.348 175.275 176.600 0.038 0.000 1.077 247 E CA -0.801 55.605 56.400 0.010 0.000 0.849 247 E CB 1.268 30.968 29.700 0.000 0.000 1.408 247 E HN -0.046 nan 8.360 nan 0.000 0.457 248 T N 0.771 115.303 114.554 -0.038 0.000 2.829 248 T HA 0.468 4.844 4.350 0.045 0.000 0.282 248 T C -0.341 174.265 174.700 -0.157 0.000 0.990 248 T CA -0.558 61.515 62.100 -0.044 0.000 1.028 248 T CB 1.349 70.132 68.868 -0.142 0.000 0.951 248 T HN 0.307 nan 8.240 nan 0.000 0.460 249 V N 5.642 125.478 119.914 -0.130 0.000 2.435 249 V HA 0.731 4.878 4.120 0.045 0.000 0.290 249 V C 0.055 176.085 176.094 -0.107 0.000 1.030 249 V CA -0.627 61.617 62.300 -0.093 0.000 0.881 249 V CB 1.278 33.083 31.823 -0.030 0.000 0.983 249 V HN 0.910 nan 8.190 nan 0.000 0.445 250 M N 5.102 124.662 119.600 -0.066 0.000 2.773 250 M HA 0.626 5.133 4.480 0.045 0.000 0.270 250 M C -2.209 174.075 176.300 -0.026 0.000 1.238 250 M CA -0.692 54.568 55.300 -0.068 0.000 0.832 250 M CB 2.075 34.613 32.600 -0.102 0.000 1.672 250 M HN 0.326 nan 8.290 nan 0.000 0.480 251 L N 1.626 122.806 121.223 -0.072 0.000 2.399 251 L HA 0.879 5.246 4.340 0.045 0.000 0.265 251 L C 0.204 177.130 176.870 0.093 0.000 1.089 251 L CA -0.849 53.920 54.840 -0.118 0.000 0.802 251 L CB 1.540 43.456 42.059 -0.238 0.000 1.180 251 L HN 0.938 nan 8.230 nan 0.000 0.454 252 A N 2.676 125.547 122.820 0.085 0.000 2.318 252 A HA 0.763 5.110 4.320 0.045 0.000 0.324 252 A C -0.773 176.863 177.584 0.088 0.000 1.170 252 A CA -0.535 51.587 52.037 0.142 0.000 0.810 252 A CB 0.887 19.975 19.000 0.148 0.000 1.198 252 A HN 0.606 nan 8.150 nan 0.000 0.484 253 L N 2.012 123.235 121.223 -0.001 0.000 2.325 253 L HA 0.396 4.763 4.340 0.045 0.000 0.278 253 L C 0.176 177.045 176.870 -0.001 0.000 1.023 253 L CA -0.999 53.845 54.840 0.006 0.000 0.811 253 L CB 1.418 43.432 42.059 -0.074 0.000 1.249 253 L HN 0.701 nan 8.230 nan 0.000 0.431 254 N N 1.458 120.144 118.700 -0.024 0.000 2.448 254 N HA 0.000 4.767 4.740 0.045 0.000 0.250 254 N C 1.099 176.516 175.510 -0.156 0.000 1.136 254 N CA -0.050 52.894 53.050 -0.177 0.000 0.953 254 N CB 1.040 39.285 38.487 -0.403 0.000 1.251 254 N HN 0.737 nan 8.380 nan 0.000 0.502 255 T N -0.050 114.417 114.554 -0.145 0.000 3.077 255 T HA -0.044 4.333 4.350 0.045 0.000 0.269 255 T C 1.153 175.783 174.700 -0.117 0.000 1.146 255 T CA 0.904 62.930 62.100 -0.124 0.000 1.091 255 T CB 0.049 68.842 68.868 -0.125 0.000 0.892 255 T HN 0.350 nan 8.240 nan 0.000 0.533 256 A N -0.092 122.641 122.820 -0.145 0.000 2.431 256 A HA 0.459 4.805 4.320 0.045 0.000 0.239 256 A C 0.682 178.196 177.584 -0.116 0.000 1.230 256 A CA -0.478 51.485 52.037 -0.123 0.000 0.928 256 A CB 0.190 19.111 19.000 -0.132 0.000 1.006 256 A HN 0.465 nan 8.150 nan 0.000 0.520 257 K N 0.668 120.990 120.400 -0.129 0.000 2.397 257 K HA 0.650 4.997 4.320 0.045 0.000 0.253 257 K C -0.383 176.177 176.600 -0.067 0.000 0.932 257 K CA -0.601 55.621 56.287 -0.109 0.000 0.795 257 K CB 1.703 34.107 32.500 -0.161 0.000 1.159 257 K HN 0.156 nan 8.250 nan 0.000 0.424 258 A N 4.488 127.291 122.820 -0.028 0.000 2.511 258 A HA 0.209 4.555 4.320 0.045 0.000 0.242 258 A C -1.748 175.832 177.584 -0.006 0.000 1.069 258 A CA -0.812 51.233 52.037 0.014 0.000 0.763 258 A CB -0.075 18.957 19.000 0.053 0.000 1.001 258 A HN 0.701 nan 8.150 nan 0.000 0.498 259 P HA 0.037 nan 4.420 nan 0.000 0.267 259 P C 0.897 178.160 177.300 -0.062 0.000 1.289 259 P CA 0.725 63.819 63.100 -0.010 0.000 0.866 259 P CB 0.007 31.593 31.700 -0.191 0.000 1.309 260 T N -2.275 112.231 114.554 -0.079 0.000 3.118 260 T HA -0.086 4.291 4.350 0.045 0.000 0.260 260 T C 1.530 176.188 174.700 -0.069 0.000 1.139 260 T CA 0.419 62.467 62.100 -0.088 0.000 1.085 260 T CB -1.018 67.797 68.868 -0.089 0.000 0.934 260 T HN 0.155 nan 8.240 nan 0.000 0.518 261 N N 1.605 120.278 118.700 -0.046 0.000 2.453 261 N HA -0.108 4.659 4.740 0.045 0.000 0.183 261 N C 0.227 175.729 175.510 -0.014 0.000 1.041 261 N CA 0.462 53.490 53.050 -0.037 0.000 0.900 261 N CB -0.229 38.243 38.487 -0.024 0.000 0.961 261 N HN 0.538 nan 8.380 nan 0.000 0.443 262 E N 0.557 120.763 120.200 0.009 0.000 2.152 262 E HA 0.060 4.436 4.350 0.045 0.000 0.285 262 E C 0.724 177.326 176.600 0.003 0.000 1.043 262 E CA -0.526 55.897 56.400 0.039 0.000 0.839 262 E CB 1.424 31.198 29.700 0.124 0.000 1.069 262 E HN 0.026 nan 8.360 nan 0.000 0.399 263 L N 4.827 126.052 121.223 0.003 0.000 2.021 263 L HA -0.294 4.073 4.340 0.045 0.000 0.215 263 L C 1.996 178.867 176.870 0.001 0.000 1.074 263 L CA 2.648 57.482 54.840 -0.009 0.000 0.760 263 L CB -0.660 41.397 42.059 -0.002 0.000 0.889 263 L HN 0.693 nan 8.230 nan 0.000 0.433 264 A N -1.435 121.405 122.820 0.032 0.000 1.902 264 A HA -0.161 4.186 4.320 0.045 0.000 0.217 264 A C 2.284 179.877 177.584 0.015 0.000 1.181 264 A CA 2.040 54.105 52.037 0.046 0.000 0.623 264 A CB -1.155 17.898 19.000 0.088 0.000 0.818 264 A HN 0.330 nan 8.150 nan 0.000 0.443 265 V N 0.183 120.084 119.914 -0.021 0.000 2.282 265 V HA -0.317 3.830 4.120 0.045 0.000 0.249 265 V C 2.643 178.678 176.094 -0.098 0.000 1.057 265 V CA 2.398 64.623 62.300 -0.125 0.000 1.032 265 V CB -0.842 30.847 31.823 -0.224 0.000 0.645 265 V HN 0.541 nan 8.190 nan 0.000 0.447 266 R N -0.450 120.003 120.500 -0.078 0.000 2.115 266 R HA -0.150 4.217 4.340 0.045 0.000 0.230 266 R C 2.270 178.524 176.300 -0.076 0.000 1.111 266 R CA 1.411 57.460 56.100 -0.085 0.000 0.976 266 R CB -0.233 30.012 30.300 -0.091 0.000 0.870 266 R HN 0.649 nan 8.270 nan 0.000 0.445 267 E N 0.610 120.787 120.200 -0.039 0.000 2.046 267 E HA -0.130 4.247 4.350 0.045 0.000 0.190 267 E C 2.128 178.777 176.600 0.082 0.000 0.982 267 E CA 1.011 57.408 56.400 -0.006 0.000 0.800 267 E CB -0.106 29.631 29.700 0.061 0.000 0.756 267 E HN 0.315 nan 8.360 nan 0.000 0.449 268 A N 1.531 124.408 122.820 0.094 0.000 1.892 268 A HA -0.213 4.133 4.320 0.045 0.000 0.218 268 A C 2.231 179.851 177.584 0.059 0.000 1.188 268 A CA 1.320 53.424 52.037 0.111 0.000 0.631 268 A CB -0.862 18.147 19.000 0.015 0.000 0.822 268 A HN 0.150 nan 8.150 nan 0.000 0.447 269 L N -0.323 120.887 121.223 -0.022 0.000 2.079 269 L HA -0.211 4.156 4.340 0.045 0.000 0.210 269 L C 2.058 178.900 176.870 -0.047 0.000 1.081 269 L CA 1.340 56.153 54.840 -0.044 0.000 0.752 269 L CB -0.714 41.297 42.059 -0.079 0.000 0.896 269 L HN 0.448 nan 8.230 nan 0.000 0.433 270 N N -0.938 117.702 118.700 -0.100 0.000 2.573 270 N HA -0.139 4.628 4.740 0.045 0.000 0.187 270 N C 1.217 176.577 175.510 -0.250 0.000 1.107 270 N CA 0.999 53.931 53.050 -0.195 0.000 0.918 270 N CB 0.167 38.477 38.487 -0.295 0.000 0.966 270 N HN 0.393 nan 8.380 nan 0.000 0.448 271 Y N -0.216 120.065 120.300 -0.032 0.000 2.458 271 Y HA 0.299 4.868 4.550 0.031 0.000 0.254 271 Y C 1.992 177.879 175.900 -0.022 0.000 1.120 271 Y CA -0.239 57.840 58.100 -0.035 0.000 1.282 271 Y CB 0.219 38.638 38.460 -0.070 0.000 1.109 271 Y HN -0.025 nan 8.280 nan 0.000 0.526 272 A N -0.463 122.443 122.820 0.143 0.000 2.021 272 A HA 0.144 4.490 4.320 0.045 0.000 0.216 272 A C 0.723 178.461 177.584 0.257 0.000 1.163 272 A CA 0.444 52.565 52.037 0.139 0.000 0.676 272 A CB -0.416 18.624 19.000 0.066 0.000 0.818 272 A HN -0.004 nan 8.150 nan 0.000 0.453 273 V N 2.157 122.185 119.914 0.190 0.000 2.406 273 V HA 0.131 4.278 4.120 0.045 0.000 0.272 273 V C 0.023 176.182 176.094 0.109 0.000 1.043 273 V CA -0.782 61.586 62.300 0.114 0.000 0.915 273 V CB 0.960 32.788 31.823 0.008 0.000 0.988 273 V HN 0.474 nan 8.190 nan 0.000 0.466 274 N N 4.835 123.412 118.700 -0.205 0.000 2.406 274 N HA 0.091 4.857 4.740 0.045 0.000 0.269 274 N C 1.079 176.450 175.510 -0.232 0.000 1.210 274 N CA 0.220 52.954 53.050 -0.527 0.000 0.966 274 N CB 0.512 38.403 38.487 -0.993 0.000 1.293 274 N HN 0.602 nan 8.380 nan 0.000 0.491 275 K N 2.588 122.913 120.400 -0.125 0.000 2.057 275 K HA -0.158 4.189 4.320 0.045 0.000 0.206 275 K C 1.568 178.104 176.600 -0.106 0.000 1.050 275 K CA 1.067 57.294 56.287 -0.100 0.000 0.935 275 K CB 0.202 32.653 32.500 -0.081 0.000 0.715 275 K HN 0.420 nan 8.250 nan 0.000 0.439 276 K N 0.884 121.222 120.400 -0.104 0.000 2.057 276 K HA -0.080 4.267 4.320 0.045 0.000 0.206 276 K C 2.078 178.614 176.600 -0.107 0.000 1.050 276 K CA 1.506 57.738 56.287 -0.091 0.000 0.935 276 K CB 0.079 32.536 32.500 -0.072 0.000 0.715 276 K HN -0.065 nan 8.250 nan 0.000 0.439 277 S N 1.249 116.864 115.700 -0.143 0.000 2.402 277 S HA -0.096 4.401 4.470 0.045 0.000 0.229 277 S C 1.711 176.241 174.600 -0.117 0.000 1.021 277 S CA 0.956 59.072 58.200 -0.139 0.000 0.974 277 S CB -0.203 62.889 63.200 -0.180 0.000 0.800 277 S HN 0.383 nan 8.310 nan 0.000 0.484 278 L N 1.271 122.425 121.223 -0.115 0.000 2.046 278 L HA -0.067 4.300 4.340 0.045 0.000 0.208 278 L C 1.949 178.776 176.870 -0.072 0.000 1.077 278 L CA 1.477 56.265 54.840 -0.087 0.000 0.747 278 L CB -0.283 41.729 42.059 -0.078 0.000 0.896 278 L HN 0.259 nan 8.230 nan 0.000 0.432 279 I N 0.204 120.729 120.570 -0.075 0.000 2.226 279 I HA -0.287 3.910 4.170 0.045 0.000 0.245 279 I C 1.898 177.978 176.117 -0.061 0.000 1.100 279 I CA 1.274 62.536 61.300 -0.063 0.000 1.374 279 I CB -0.470 37.491 38.000 -0.065 0.000 1.057 279 I HN 0.299 nan 8.210 nan 0.000 0.413 280 D N 0.226 120.577 120.400 -0.081 0.000 2.224 280 D HA -0.139 4.527 4.640 0.045 0.000 0.205 280 D C 1.878 178.111 176.300 -0.112 0.000 0.965 280 D CA 0.870 54.806 54.000 -0.106 0.000 0.852 280 D CB -0.264 40.468 40.800 -0.114 0.000 0.947 280 D HN 0.294 nan 8.370 nan 0.000 0.494 281 N N 0.072 118.723 118.700 -0.081 0.000 2.368 281 N HA 0.032 4.799 4.740 0.045 0.000 0.178 281 N C 1.324 176.819 175.510 -0.024 0.000 1.021 281 N CA 0.966 53.978 53.050 -0.062 0.000 0.875 281 N CB 0.437 38.885 38.487 -0.066 0.000 1.020 281 N HN 0.038 nan 8.380 nan 0.000 0.433 282 A N -0.434 122.370 122.820 -0.027 0.000 2.085 282 A HA 0.276 4.623 4.320 0.045 0.000 0.208 282 A C 0.846 178.430 177.584 -0.000 0.000 1.191 282 A CA 0.283 52.309 52.037 -0.020 0.000 0.799 282 A CB 0.275 19.248 19.000 -0.046 0.000 0.877 282 A HN 0.186 nan 8.150 nan 0.000 0.473 283 L N -1.644 119.582 121.223 0.006 0.000 3.066 283 L HA 0.360 4.727 4.340 0.045 0.000 0.265 283 L C -0.070 176.861 176.870 0.102 0.000 1.232 283 L CA -0.551 54.299 54.840 0.017 0.000 1.031 283 L CB -1.376 40.667 42.059 -0.027 0.000 1.379 283 L HN 0.429 nan 8.230 nan 0.000 0.563 284 Y N 1.446 121.718 120.300 -0.047 0.000 3.305 284 Y HA -0.235 4.342 4.550 0.045 0.000 0.214 284 Y C 1.603 177.493 175.900 -0.017 0.000 1.185 284 Y CA 0.943 59.026 58.100 -0.029 0.000 1.326 284 Y CB -1.013 37.436 38.460 -0.018 0.000 1.367 284 Y HN 0.502 nan 8.280 nan 0.000 0.588 285 G N -0.791 107.997 108.800 -0.021 0.000 2.155 285 G HA2 -0.395 3.592 3.960 0.045 0.000 0.257 285 G HA3 -0.395 3.592 3.960 0.045 0.000 0.257 285 G C 0.857 175.767 174.900 0.017 0.000 0.983 285 G CA 1.097 46.177 45.100 -0.033 0.000 0.676 285 G HN 1.267 nan 8.290 nan 0.000 0.528 286 T N -3.367 111.213 114.554 0.044 0.000 3.060 286 T HA 0.464 4.841 4.350 0.045 0.000 0.249 286 T C 0.874 175.565 174.700 -0.014 0.000 1.079 286 T CA 0.999 63.123 62.100 0.041 0.000 1.013 286 T CB 0.519 69.415 68.868 0.047 0.000 0.975 286 T HN 0.359 nan 8.240 nan 0.000 0.518 287 Q N 0.563 120.347 119.800 -0.026 0.000 2.486 287 Q HA 0.654 5.021 4.340 0.045 0.000 0.274 287 Q C -1.113 174.871 176.000 -0.027 0.000 1.076 287 Q CA -0.762 55.018 55.803 -0.039 0.000 0.872 287 Q CB 1.421 30.124 28.738 -0.058 0.000 1.383 287 Q HN 0.297 nan 8.270 nan 0.000 0.478 288 Q N -0.286 119.503 119.800 -0.018 0.000 2.306 288 Q HA 0.507 4.873 4.340 0.045 0.000 0.265 288 Q C -1.076 174.883 176.000 -0.069 0.000 1.022 288 Q CA -0.558 55.245 55.803 0.000 0.000 0.853 288 Q CB 2.098 30.887 28.738 0.084 0.000 1.327 288 Q HN 0.381 nan 8.270 nan 0.000 0.449 289 V N 1.949 121.818 119.914 -0.075 0.000 2.740 289 V HA 0.472 4.619 4.120 0.045 0.000 0.303 289 V C -0.246 175.651 176.094 -0.329 0.000 1.054 289 V CA 0.147 62.354 62.300 -0.155 0.000 1.106 289 V CB 0.948 32.724 31.823 -0.079 0.000 0.957 289 V HN 0.820 nan 8.190 nan 0.000 0.486 290 A N 3.292 125.784 122.820 -0.548 0.000 2.331 290 A HA 0.630 4.977 4.320 0.045 0.000 0.320 290 A C 0.175 177.555 177.584 -0.340 0.000 1.138 290 A CA -0.537 50.923 52.037 -0.962 0.000 0.790 290 A CB 0.887 19.101 19.000 -1.310 0.000 1.206 290 A HN 0.826 nan 8.150 nan 0.000 0.470 291 D N 0.652 120.992 120.400 -0.101 0.000 2.454 291 D HA 0.097 4.763 4.640 0.045 0.000 0.219 291 D C 0.447 176.810 176.300 0.104 0.000 1.081 291 D CA 1.472 55.481 54.000 0.014 0.000 0.867 291 D CB 0.883 41.721 40.800 0.065 0.000 1.054 291 D HN 0.703 nan 8.370 nan 0.000 0.500 292 T N -1.618 113.018 114.554 0.136 0.000 2.906 292 T HA 0.295 4.672 4.350 0.045 0.000 0.295 292 T C 0.968 175.724 174.700 0.094 0.000 1.075 292 T CA -0.749 61.444 62.100 0.155 0.000 1.005 292 T CB 2.292 71.203 68.868 0.072 0.000 1.136 292 T HN -0.194 nan 8.240 nan 0.000 0.498 293 L N 0.341 121.569 121.223 0.008 0.000 2.021 293 L HA 0.211 4.578 4.340 0.045 0.000 0.215 293 L C -0.059 176.490 176.870 -0.535 0.000 1.074 293 L CA 1.745 56.386 54.840 -0.332 0.000 0.760 293 L CB -0.744 41.047 42.059 -0.447 0.000 0.889 293 L HN 0.712 nan 8.230 nan 0.000 0.433 294 F N -0.542 119.401 119.950 -0.011 0.000 2.469 294 F HA 0.618 5.170 4.527 0.042 0.000 0.332 294 F C 0.776 176.510 175.800 -0.109 0.000 1.103 294 F CA -0.806 57.151 58.000 -0.073 0.000 0.979 294 F CB 0.801 39.734 39.000 -0.112 0.000 1.137 294 F HN -0.011 nan 8.300 nan 0.000 0.463 295 A N 3.764 126.431 122.820 -0.255 0.000 2.547 295 A HA 0.184 4.531 4.320 0.045 0.000 0.233 295 A C -1.772 175.675 177.584 -0.228 0.000 1.067 295 A CA -0.879 50.762 52.037 -0.660 0.000 0.763 295 A CB -0.285 18.047 19.000 -1.113 0.000 1.007 295 A HN 0.621 nan 8.150 nan 0.000 0.506 296 P HA -0.085 nan 4.420 nan 0.000 0.231 296 P C 1.177 178.416 177.300 -0.102 0.000 1.158 296 P CA 1.559 64.608 63.100 -0.085 0.000 0.763 296 P CB 0.049 31.716 31.700 -0.054 0.000 0.805 297 S N -2.403 113.209 115.700 -0.146 0.000 2.496 297 S HA 0.042 4.539 4.470 0.045 0.000 0.224 297 S C 0.916 175.442 174.600 -0.124 0.000 0.996 297 S CA -0.095 58.030 58.200 -0.125 0.000 0.927 297 S CB -0.997 62.126 63.200 -0.129 0.000 0.774 297 S HN -0.112 nan 8.310 nan 0.000 0.524 298 V N 4.243 124.077 119.914 -0.133 0.000 2.740 298 V HA 0.197 4.344 4.120 0.045 0.000 0.303 298 V C -2.156 173.829 176.094 -0.182 0.000 1.054 298 V CA -1.626 60.585 62.300 -0.148 0.000 1.106 298 V CB 0.176 31.901 31.823 -0.164 0.000 0.957 298 V HN 0.233 nan 8.190 nan 0.000 0.486 299 P HA 0.081 nan 4.420 nan 0.000 0.266 299 P C -0.408 176.715 177.300 -0.297 0.000 1.195 299 P CA 0.376 63.272 63.100 -0.339 0.000 0.768 299 P CB -0.034 31.459 31.700 -0.345 0.000 0.838 300 Y N 0.122 120.330 120.300 -0.154 0.000 4.881 300 Y HA -0.284 4.292 4.550 0.043 0.000 0.241 300 Y C 1.334 177.165 175.900 -0.115 0.000 0.985 300 Y CA 0.966 58.984 58.100 -0.135 0.000 1.976 300 Y CB -2.700 35.606 38.460 -0.256 0.000 1.528 300 Y HN 0.474 nan 8.280 nan 0.000 0.581 301 A N -0.463 122.340 122.820 -0.030 0.000 2.470 301 A HA 0.193 4.539 4.320 0.045 0.000 0.251 301 A C 0.845 178.433 177.584 0.006 0.000 1.245 301 A CA -0.006 52.032 52.037 0.001 0.000 0.932 301 A CB 0.039 19.029 19.000 -0.016 0.000 1.037 301 A HN 0.437 nan 8.150 nan 0.000 0.522 302 N N 1.412 120.107 118.700 -0.009 0.000 2.868 302 N HA 0.288 5.055 4.740 0.045 0.000 0.252 302 N C -0.031 175.484 175.510 0.008 0.000 1.130 302 N CA -0.084 52.959 53.050 -0.011 0.000 1.026 302 N CB 0.247 38.718 38.487 -0.028 0.000 1.335 302 N HN 0.383 nan 8.380 nan 0.000 0.516 303 L N 0.998 122.227 121.223 0.009 0.000 2.693 303 L HA 0.299 4.666 4.340 0.045 0.000 0.235 303 L C 1.382 178.253 176.870 0.002 0.000 1.127 303 L CA -0.130 54.720 54.840 0.018 0.000 0.914 303 L CB 0.240 42.317 42.059 0.031 0.000 1.193 303 L HN 0.485 nan 8.230 nan 0.000 0.502 304 G N 1.585 110.380 108.800 -0.009 0.000 2.283 304 G HA2 -0.291 3.696 3.960 0.045 0.000 0.280 304 G HA3 -0.291 3.696 3.960 0.045 0.000 0.280 304 G C 0.256 175.140 174.900 -0.027 0.000 1.029 304 G CA -0.016 45.079 45.100 -0.008 0.000 0.840 304 G HN 0.270 nan 8.290 nan 0.000 0.505 305 L N -0.507 120.665 121.223 -0.085 0.000 2.485 305 L HA 0.162 4.529 4.340 0.045 0.000 0.275 305 L C 1.314 178.119 176.870 -0.108 0.000 1.207 305 L CA 0.149 54.874 54.840 -0.191 0.000 0.855 305 L CB 0.547 42.290 42.059 -0.527 0.000 1.114 305 L HN 0.154 nan 8.230 nan 0.000 0.485 306 K N 5.235 125.647 120.400 0.019 0.000 2.338 306 K HA 0.217 4.564 4.320 0.045 0.000 0.290 306 K C -2.130 174.586 176.600 0.194 0.000 1.069 306 K CA -1.604 54.752 56.287 0.115 0.000 0.941 306 K CB 0.624 33.207 32.500 0.139 0.000 1.023 306 K HN 0.260 nan 8.250 nan 0.000 0.477 307 P HA -0.012 nan 4.420 nan 0.000 0.267 307 P C -0.893 176.437 177.300 0.050 0.000 1.200 307 P CA -0.139 63.022 63.100 0.101 0.000 0.772 307 P CB 0.795 32.537 31.700 0.070 0.000 0.855 308 S N 1.976 117.630 115.700 -0.077 0.000 2.415 308 S HA 0.178 4.675 4.470 0.045 0.000 0.313 308 S C 0.049 174.597 174.600 -0.087 0.000 1.067 308 S CA -0.506 57.513 58.200 -0.302 0.000 1.099 308 S CB -0.017 62.676 63.200 -0.846 0.000 0.991 308 S HN 0.318 nan 8.310 nan 0.000 0.491 309 Q N 1.569 121.439 119.800 0.116 0.000 2.474 309 Q HA 0.172 4.539 4.340 0.045 0.000 0.256 309 Q C -0.219 175.928 176.000 0.245 0.000 1.048 309 Q CA -0.372 55.529 55.803 0.164 0.000 0.922 309 Q CB 0.023 28.857 28.738 0.160 0.000 1.288 309 Q HN 0.645 nan 8.270 nan 0.000 0.484 310 Y N 1.303 121.660 120.300 0.094 0.000 2.650 310 Y HA 0.193 4.770 4.550 0.046 0.000 0.342 310 Y C -0.782 175.181 175.900 0.105 0.000 1.110 310 Y CA 0.181 58.336 58.100 0.091 0.000 1.438 310 Y CB 0.280 38.761 38.460 0.036 0.000 1.181 310 Y HN 0.650 nan 8.280 nan 0.000 0.526 311 D N 9.065 129.245 120.400 -0.368 0.000 2.527 311 D HA 0.228 4.895 4.640 0.045 0.000 0.242 311 D C -2.292 173.771 176.300 -0.395 0.000 1.285 311 D CA -1.862 51.906 54.000 -0.387 0.000 0.886 311 D CB 1.213 41.898 40.800 -0.192 0.000 1.402 311 D HN 0.268 nan 8.370 nan 0.000 0.528 312 P HA -0.211 nan 4.420 nan 0.000 0.216 312 P C 1.374 178.558 177.300 -0.194 0.000 1.150 312 P CA 1.158 64.081 63.100 -0.295 0.000 0.843 312 P CB 0.379 31.926 31.700 -0.255 0.000 0.787 313 Q N 0.449 120.125 119.800 -0.205 0.000 2.079 313 Q HA -0.198 4.169 4.340 0.045 0.000 0.200 313 Q C 2.282 178.176 176.000 -0.177 0.000 0.974 313 Q CA 1.713 57.424 55.803 -0.153 0.000 0.840 313 Q CB -0.325 28.335 28.738 -0.129 0.000 0.898 313 Q HN -0.052 nan 8.270 nan 0.000 0.430 314 K N 0.535 120.775 120.400 -0.267 0.000 2.097 314 K HA -0.079 4.268 4.320 0.045 0.000 0.206 314 K C 1.839 178.257 176.600 -0.303 0.000 1.049 314 K CA 1.519 57.587 56.287 -0.365 0.000 0.933 314 K CB -0.565 31.528 32.500 -0.678 0.000 0.717 314 K HN 0.317 nan 8.250 nan 0.000 0.442 315 A N 1.000 123.684 122.820 -0.227 0.000 1.902 315 A HA -0.192 4.154 4.320 0.045 0.000 0.217 315 A C 1.968 179.519 177.584 -0.054 0.000 1.181 315 A CA 1.904 53.900 52.037 -0.068 0.000 0.623 315 A CB -0.481 18.519 19.000 -0.000 0.000 0.818 315 A HN 0.392 nan 8.150 nan 0.000 0.443 316 K N -0.389 119.970 120.400 -0.067 0.000 2.026 316 K HA -0.090 4.257 4.320 0.045 0.000 0.208 316 K C 2.360 178.946 176.600 -0.024 0.000 1.048 316 K CA 1.184 57.449 56.287 -0.036 0.000 0.929 316 K CB -0.360 32.116 32.500 -0.039 0.000 0.713 316 K HN 0.443 nan 8.250 nan 0.000 0.439 317 A N 1.511 124.299 122.820 -0.053 0.000 1.908 317 A HA -0.161 4.186 4.320 0.045 0.000 0.218 317 A C 2.160 179.734 177.584 -0.016 0.000 1.181 317 A CA 1.334 53.346 52.037 -0.041 0.000 0.627 317 A CB -0.715 18.242 19.000 -0.071 0.000 0.818 317 A HN 0.166 nan 8.150 nan 0.000 0.445 318 L N -1.045 120.163 121.223 -0.024 0.000 2.012 318 L HA -0.207 4.160 4.340 0.045 0.000 0.210 318 L C 2.496 179.401 176.870 0.058 0.000 1.073 318 L CA 0.851 55.699 54.840 0.014 0.000 0.748 318 L CB -0.541 41.530 42.059 0.020 0.000 0.891 318 L HN 0.288 nan 8.230 nan 0.000 0.431 319 L N -0.328 120.928 121.223 0.056 0.000 2.012 319 L HA -0.228 4.139 4.340 0.045 0.000 0.210 319 L C 2.705 179.684 176.870 0.182 0.000 1.073 319 L CA 1.736 56.649 54.840 0.122 0.000 0.748 319 L CB -1.113 40.985 42.059 0.064 0.000 0.891 319 L HN 0.295 nan 8.230 nan 0.000 0.431 320 E N -0.526 119.734 120.200 0.100 0.000 2.072 320 E HA -0.255 4.121 4.350 0.045 0.000 0.191 320 E C 2.171 178.807 176.600 0.059 0.000 0.985 320 E CA 0.943 57.389 56.400 0.076 0.000 0.801 320 E CB -0.124 29.597 29.700 0.036 0.000 0.750 320 E HN 0.443 nan 8.360 nan 0.000 0.452 321 K N 0.653 121.082 120.400 0.049 0.000 2.209 321 K HA -0.066 4.281 4.320 0.045 0.000 0.204 321 K C 1.676 178.303 176.600 0.045 0.000 1.048 321 K CA 1.068 57.376 56.287 0.034 0.000 0.940 321 K CB 0.041 32.555 32.500 0.024 0.000 0.729 321 K HN 0.023 nan 8.250 nan 0.000 0.451 322 A N -0.105 122.773 122.820 0.096 0.000 2.275 322 A HA 0.261 4.608 4.320 0.045 0.000 0.212 322 A C 1.060 178.661 177.584 0.029 0.000 1.201 322 A CA 0.562 52.667 52.037 0.113 0.000 0.843 322 A CB 0.000 19.142 19.000 0.236 0.000 0.873 322 A HN 0.472 nan 8.150 nan 0.000 0.492 323 G N -2.356 106.448 108.800 0.007 0.000 2.140 323 G HA2 -0.235 3.751 3.960 0.045 0.000 0.211 323 G HA3 -0.235 3.751 3.960 0.045 0.000 0.211 323 G C -0.357 174.417 174.900 -0.211 0.000 1.013 323 G CA -0.106 44.922 45.100 -0.120 0.000 0.705 323 G HN 0.427 nan 8.290 nan 0.000 0.508 324 W N 1.921 123.214 121.300 -0.011 0.000 2.289 324 W HA 0.569 5.252 4.660 0.040 0.000 0.342 324 W C 0.924 177.437 176.519 -0.010 0.000 0.958 324 W CA 0.023 57.362 57.345 -0.010 0.000 1.492 324 W CB 0.848 30.303 29.460 -0.009 0.000 1.336 324 W HN 0.365 nan 8.180 nan 0.000 0.371 325 T N -0.435 114.201 114.554 0.138 0.000 2.940 325 T HA 0.635 5.012 4.350 0.045 0.000 0.288 325 T C -0.401 174.348 174.700 0.080 0.000 1.033 325 T CA -1.013 61.137 62.100 0.083 0.000 1.033 325 T CB 1.415 70.298 68.868 0.026 0.000 1.079 325 T HN 0.113 nan 8.240 nan 0.000 0.496 326 L N 3.151 124.407 121.223 0.057 0.000 2.325 326 L HA 0.335 4.701 4.340 0.045 0.000 0.284 326 L C -1.622 175.266 176.870 0.031 0.000 1.089 326 L CA -1.811 53.057 54.840 0.046 0.000 0.836 326 L CB 0.189 42.269 42.059 0.035 0.000 1.184 326 L HN 0.550 nan 8.230 nan 0.000 0.444 327 P HA 0.106 nan 4.420 nan 0.000 0.270 327 P C -0.559 176.750 177.300 0.016 0.000 1.223 327 P CA -0.490 62.622 63.100 0.019 0.000 0.785 327 P CB 0.777 32.489 31.700 0.021 0.000 0.923 328 A N 1.360 124.186 122.820 0.011 0.000 2.409 328 A HA 0.513 4.860 4.320 0.045 0.000 0.262 328 A C 0.834 178.424 177.584 0.010 0.000 1.113 328 A CA 0.113 52.155 52.037 0.009 0.000 0.790 328 A CB -0.299 18.704 19.000 0.005 0.000 1.046 328 A HN 0.624 nan 8.150 nan 0.000 0.496 329 G N 1.921 110.727 108.800 0.010 0.000 3.986 329 G HA2 0.471 4.458 3.960 0.045 0.000 0.343 329 G HA3 0.471 4.458 3.960 0.045 0.000 0.343 329 G C -0.283 174.625 174.900 0.014 0.000 1.413 329 G CA -0.370 44.737 45.100 0.011 0.000 1.143 329 G HN 0.696 nan 8.290 nan 0.000 0.488 330 K N 0.487 120.898 120.400 0.018 0.000 2.203 330 K HA 0.409 4.756 4.320 0.045 0.000 0.251 330 K C 0.320 176.934 176.600 0.023 0.000 0.944 330 K CA -0.754 55.545 56.287 0.021 0.000 0.829 330 K CB 1.492 34.007 32.500 0.025 0.000 1.125 330 K HN 0.034 nan 8.250 nan 0.000 0.430 331 D N 2.482 122.895 120.400 0.022 0.000 2.349 331 D HA 0.042 4.709 4.640 0.045 0.000 0.224 331 D C -0.030 176.286 176.300 0.027 0.000 1.029 331 D CA 0.559 54.572 54.000 0.022 0.000 0.879 331 D CB 0.142 40.952 40.800 0.017 0.000 0.906 331 D HN 0.259 nan 8.370 nan 0.000 0.528 332 I N 1.226 121.817 120.570 0.035 0.000 2.406 332 I HA 0.224 4.421 4.170 0.045 0.000 0.290 332 I C 0.704 176.868 176.117 0.078 0.000 0.999 332 I CA -0.826 60.501 61.300 0.044 0.000 1.124 332 I CB 1.565 39.588 38.000 0.040 0.000 1.289 332 I HN -0.381 nan 8.210 nan 0.000 0.441 333 R N 3.787 124.350 120.500 0.105 0.000 2.643 333 R HA 0.296 4.663 4.340 0.045 0.000 0.270 333 R C -0.231 176.243 176.300 0.290 0.000 1.061 333 R CA 0.061 56.278 56.100 0.196 0.000 1.107 333 R CB 0.815 31.267 30.300 0.255 0.000 0.999 333 R HN 0.556 nan 8.270 nan 0.000 0.460 334 E N 0.688 121.038 120.200 0.250 0.000 2.369 334 E HA 0.284 4.661 4.350 0.045 0.000 0.270 334 E C -1.224 175.365 176.600 -0.018 0.000 0.909 334 E CA -0.971 55.538 56.400 0.182 0.000 0.775 334 E CB 2.312 32.054 29.700 0.071 0.000 1.270 334 E HN 0.366 nan 8.360 nan 0.000 0.445 335 K N 2.608 122.819 120.400 -0.315 0.000 2.687 335 K HA 0.262 4.609 4.320 0.045 0.000 0.249 335 K C -0.757 175.616 176.600 -0.380 0.000 0.994 335 K CA -0.440 55.541 56.287 -0.509 0.000 0.913 335 K CB 0.649 32.505 32.500 -1.074 0.000 1.202 335 K HN 0.516 nan 8.250 nan 0.000 0.460 336 N N 2.478 121.049 118.700 -0.216 0.000 2.920 336 N HA -0.142 4.625 4.740 0.045 0.000 0.247 336 N C 0.515 175.958 175.510 -0.111 0.000 1.123 336 N CA 1.911 54.863 53.050 -0.164 0.000 0.711 336 N CB -1.227 37.128 38.487 -0.219 0.000 1.065 336 N HN 1.228 nan 8.380 nan 0.000 0.554 337 G N -1.256 107.498 108.800 -0.076 0.000 2.420 337 G HA2 -0.292 3.695 3.960 0.045 0.000 0.221 337 G HA3 -0.292 3.695 3.960 0.045 0.000 0.221 337 G C -0.382 174.518 174.900 -0.000 0.000 1.117 337 G CA 0.377 45.456 45.100 -0.033 0.000 0.657 337 G HN 0.429 nan 8.290 nan 0.000 0.512 338 Q N 2.221 122.025 119.800 0.007 0.000 2.303 338 Q HA 0.454 4.821 4.340 0.045 0.000 0.257 338 Q C -2.449 173.669 176.000 0.196 0.000 0.941 338 Q CA -1.697 54.156 55.803 0.084 0.000 0.931 338 Q CB 2.286 31.081 28.738 0.096 0.000 1.215 338 Q HN 0.428 nan 8.270 nan 0.000 0.437 339 P HA 0.082 nan 4.420 nan 0.000 0.277 339 P C -0.281 177.176 177.300 0.261 0.000 1.240 339 P CA -0.733 62.499 63.100 0.219 0.000 0.798 339 P CB 0.796 32.563 31.700 0.112 0.000 0.979 340 L N 3.136 124.474 121.223 0.193 0.000 2.448 340 L HA 0.175 4.542 4.340 0.045 0.000 0.278 340 L C 0.605 177.407 176.870 -0.114 0.000 1.201 340 L CA 0.340 55.076 54.840 -0.174 0.000 1.036 340 L CB -1.296 40.531 42.059 -0.387 0.000 1.325 340 L HN 0.323 nan 8.230 nan 0.000 0.441 341 R N 5.279 125.740 120.500 -0.065 0.000 2.437 341 R HA 0.648 5.015 4.340 0.045 0.000 0.310 341 R C -1.402 174.868 176.300 -0.050 0.000 0.955 341 R CA -0.588 55.491 56.100 -0.035 0.000 0.851 341 R CB 0.876 31.181 30.300 0.009 0.000 1.161 341 R HN 0.586 nan 8.270 nan 0.000 0.446 342 I N 3.281 123.823 120.570 -0.046 0.000 2.466 342 I HA 0.270 4.467 4.170 0.045 0.000 0.289 342 I C -0.353 175.766 176.117 0.003 0.000 1.026 342 I CA -0.872 60.406 61.300 -0.037 0.000 1.078 342 I CB 2.348 40.309 38.000 -0.065 0.000 1.249 342 I HN 0.512 nan 8.210 nan 0.000 0.429 343 E N 5.318 125.532 120.200 0.024 0.000 2.229 343 E HA 0.329 4.706 4.350 0.045 0.000 0.283 343 E C -1.034 175.620 176.600 0.091 0.000 1.030 343 E CA -0.761 55.673 56.400 0.058 0.000 0.836 343 E CB 2.090 31.825 29.700 0.059 0.000 1.068 343 E HN 0.235 nan 8.360 nan 0.000 0.401 344 L N 3.255 124.551 121.223 0.121 0.000 2.277 344 L HA 0.249 4.616 4.340 0.045 0.000 0.284 344 L C -0.679 176.376 176.870 0.308 0.000 1.028 344 L CA -0.352 54.590 54.840 0.170 0.000 0.835 344 L CB 0.887 43.030 42.059 0.140 0.000 1.215 344 L HN 0.400 nan 8.230 nan 0.000 0.425 345 S N 4.496 120.353 115.700 0.263 0.000 2.565 345 S HA 0.908 5.404 4.470 0.045 0.000 0.290 345 S C -0.501 174.320 174.600 0.369 0.000 1.150 345 S CA -0.599 57.726 58.200 0.208 0.000 1.058 345 S CB 1.317 64.553 63.200 0.061 0.000 1.032 345 S HN 0.592 nan 8.310 nan 0.000 0.510 346 F N -1.885 118.124 119.950 0.098 0.000 2.713 346 F HA 0.640 5.193 4.527 0.044 0.000 0.311 346 F C -1.483 174.287 175.800 -0.049 0.000 1.141 346 F CA -1.787 56.253 58.000 0.066 0.000 0.939 346 F CB 0.402 39.439 39.000 0.062 0.000 1.325 346 F HN 0.371 nan 8.300 nan 0.000 0.453 347 I N 2.500 123.060 120.570 -0.017 0.000 2.576 347 I HA 0.210 4.407 4.170 0.045 0.000 0.288 347 I C 1.508 177.579 176.117 -0.078 0.000 1.126 347 I CA 0.643 61.868 61.300 -0.125 0.000 1.362 347 I CB 0.453 38.393 38.000 -0.100 0.000 1.419 347 I HN 0.955 nan 8.210 nan 0.000 0.533 348 G N 3.610 112.259 108.800 -0.252 0.000 2.559 348 G HA2 -0.197 3.790 3.960 0.045 0.000 0.216 348 G HA3 -0.197 3.790 3.960 0.045 0.000 0.216 348 G C 1.462 176.357 174.900 -0.008 0.000 1.126 348 G CA 0.988 45.993 45.100 -0.160 0.000 0.778 348 G HN 0.653 nan 8.290 nan 0.000 0.543 349 T N -2.118 112.412 114.554 -0.040 0.000 3.067 349 T HA 0.020 4.397 4.350 0.045 0.000 0.261 349 T C 0.861 175.548 174.700 -0.022 0.000 1.110 349 T CA 0.436 62.517 62.100 -0.031 0.000 1.113 349 T CB 0.155 68.993 68.868 -0.052 0.000 0.917 349 T HN 0.132 nan 8.240 nan 0.000 0.499 350 D N 1.528 121.921 120.400 -0.013 0.000 2.374 350 D HA 0.498 5.165 4.640 0.045 0.000 0.240 350 D C 1.314 177.584 176.300 -0.050 0.000 1.229 350 D CA -0.094 53.881 54.000 -0.042 0.000 0.895 350 D CB 0.896 41.659 40.800 -0.062 0.000 1.046 350 D HN 0.200 nan 8.370 nan 0.000 0.498 351 A N 4.726 127.510 122.820 -0.060 0.000 1.978 351 A HA -0.156 4.190 4.320 0.045 0.000 0.220 351 A C 2.195 179.711 177.584 -0.112 0.000 1.170 351 A CA 0.816 52.813 52.037 -0.067 0.000 0.636 351 A CB -0.432 18.532 19.000 -0.060 0.000 0.810 351 A HN 0.705 nan 8.150 nan 0.000 0.448 352 L N -0.876 120.264 121.223 -0.138 0.000 2.072 352 L HA -0.120 4.247 4.340 0.045 0.000 0.205 352 L C 2.778 179.485 176.870 -0.272 0.000 1.079 352 L CA 1.583 56.320 54.840 -0.171 0.000 0.752 352 L CB -0.317 41.645 42.059 -0.161 0.000 0.906 352 L HN 0.381 nan 8.230 nan 0.000 0.436 353 S N -0.377 115.107 115.700 -0.359 0.000 2.356 353 S HA -0.234 4.263 4.470 0.045 0.000 0.223 353 S C 1.887 176.035 174.600 -0.752 0.000 1.032 353 S CA 1.346 59.126 58.200 -0.700 0.000 1.005 353 S CB -0.140 62.686 63.200 -0.624 0.000 0.867 353 S HN 0.296 nan 8.310 nan 0.000 0.449 354 K N 0.939 121.063 120.400 -0.460 0.000 2.044 354 K HA -0.130 4.216 4.320 0.045 0.000 0.210 354 K C 2.435 178.829 176.600 -0.345 0.000 1.049 354 K CA 1.598 57.622 56.287 -0.439 0.000 0.927 354 K CB -0.375 32.102 32.500 -0.038 0.000 0.713 354 K HN 0.271 nan 8.250 nan 0.000 0.443 355 S N 0.375 115.935 115.700 -0.232 0.000 2.348 355 S HA -0.124 4.373 4.470 0.045 0.000 0.221 355 S C 1.993 176.512 174.600 -0.135 0.000 1.033 355 S CA 1.496 59.608 58.200 -0.148 0.000 1.010 355 S CB -0.125 63.006 63.200 -0.114 0.000 0.891 355 S HN 0.300 nan 8.310 nan 0.000 0.442 356 M N 0.955 120.467 119.600 -0.147 0.000 2.117 356 M HA -0.075 4.432 4.480 0.045 0.000 0.262 356 M C 2.419 178.733 176.300 0.023 0.000 1.065 356 M CA 1.479 56.755 55.300 -0.040 0.000 1.114 356 M CB -0.536 32.085 32.600 0.035 0.000 1.361 356 M HN 0.465 nan 8.290 nan 0.000 0.408 357 A N 0.472 123.266 122.820 -0.042 0.000 1.908 357 A HA -0.185 4.162 4.320 0.045 0.000 0.218 357 A C 2.024 179.563 177.584 -0.074 0.000 1.181 357 A CA 1.711 53.717 52.037 -0.051 0.000 0.627 357 A CB -0.647 18.088 19.000 -0.441 0.000 0.818 357 A HN 0.510 nan 8.150 nan 0.000 0.445 358 E N -0.274 119.864 120.200 -0.103 0.000 2.077 358 E HA -0.171 4.205 4.350 0.045 0.000 0.193 358 E C 2.014 178.594 176.600 -0.034 0.000 0.989 358 E CA 1.294 57.664 56.400 -0.050 0.000 0.800 358 E CB -0.380 29.293 29.700 -0.045 0.000 0.746 358 E HN 0.732 nan 8.360 nan 0.000 0.452 359 I N 1.541 122.087 120.570 -0.040 0.000 2.142 359 I HA -0.273 3.924 4.170 0.045 0.000 0.240 359 I C 2.475 178.574 176.117 -0.029 0.000 1.078 359 I CA 0.876 62.154 61.300 -0.036 0.000 1.343 359 I CB -0.285 37.688 38.000 -0.044 0.000 1.046 359 I HN 0.071 nan 8.210 nan 0.000 0.405 360 I N 0.437 120.991 120.570 -0.026 0.000 2.208 360 I HA -0.355 3.841 4.170 0.045 0.000 0.245 360 I C 2.584 178.687 176.117 -0.023 0.000 1.097 360 I CA 1.766 63.046 61.300 -0.032 0.000 1.363 360 I CB -1.317 36.648 38.000 -0.059 0.000 1.051 360 I HN 0.482 nan 8.210 nan 0.000 0.413 361 Q N 1.045 120.835 119.800 -0.016 0.000 2.096 361 Q HA -0.205 4.162 4.340 0.045 0.000 0.204 361 Q C 2.333 178.332 176.000 -0.002 0.000 0.982 361 Q CA 2.278 58.079 55.803 -0.004 0.000 0.850 361 Q CB 0.015 28.758 28.738 0.008 0.000 0.901 361 Q HN 0.515 nan 8.270 nan 0.000 0.422 362 A N 0.788 123.606 122.820 -0.004 0.000 1.898 362 A HA -0.188 4.159 4.320 0.045 0.000 0.216 362 A C 1.642 179.232 177.584 0.010 0.000 1.181 362 A CA 1.672 53.709 52.037 0.001 0.000 0.620 362 A CB -0.559 18.437 19.000 -0.006 0.000 0.819 362 A HN 0.449 nan 8.150 nan 0.000 0.442 363 D N -0.382 120.025 120.400 0.011 0.000 2.123 363 D HA -0.134 4.533 4.640 0.045 0.000 0.196 363 D C 1.919 178.246 176.300 0.045 0.000 0.992 363 D CA 1.422 55.448 54.000 0.043 0.000 0.833 363 D CB -0.302 40.524 40.800 0.043 0.000 0.954 363 D HN 0.481 nan 8.370 nan 0.000 0.455 364 M N -0.561 119.049 119.600 0.016 0.000 2.419 364 M HA 0.025 4.532 4.480 0.045 0.000 0.264 364 M C 2.130 178.427 176.300 -0.004 0.000 1.082 364 M CA 0.422 55.722 55.300 0.000 0.000 1.119 364 M CB 0.159 32.745 32.600 -0.023 0.000 1.398 364 M HN -0.141 nan 8.290 nan 0.000 0.453 365 R N 0.382 120.883 120.500 0.002 0.000 2.096 365 R HA -0.147 4.220 4.340 0.045 0.000 0.235 365 R C 2.084 178.390 176.300 0.010 0.000 1.127 365 R CA 1.306 57.409 56.100 0.004 0.000 0.968 365 R CB 0.029 30.333 30.300 0.008 0.000 0.861 365 R HN 0.327 nan 8.270 nan 0.000 0.440 366 Q N 0.237 120.049 119.800 0.020 0.000 2.364 366 Q HA -0.131 4.236 4.340 0.045 0.000 0.209 366 Q C 1.681 177.691 176.000 0.016 0.000 0.977 366 Q CA 1.249 57.068 55.803 0.026 0.000 0.885 366 Q CB 0.138 28.906 28.738 0.050 0.000 0.941 366 Q HN 0.616 nan 8.270 nan 0.000 0.464 367 I N -5.249 115.326 120.570 0.007 0.000 3.974 367 I HA 0.448 4.644 4.170 0.045 0.000 0.334 367 I C 0.721 176.833 176.117 -0.009 0.000 1.437 367 I CA 0.265 61.562 61.300 -0.005 0.000 1.113 367 I CB 0.484 38.477 38.000 -0.013 0.000 1.063 367 I HN 0.028 nan 8.210 nan 0.000 0.400 368 G N 1.621 110.418 108.800 -0.005 0.000 2.171 368 G HA2 -0.064 3.922 3.960 0.045 0.000 0.238 368 G HA3 -0.064 3.922 3.960 0.045 0.000 0.238 368 G C 0.067 174.951 174.900 -0.027 0.000 1.039 368 G CA -0.078 45.021 45.100 -0.000 0.000 0.759 368 G HN 0.963 nan 8.290 nan 0.000 0.501 369 A N -0.037 122.756 122.820 -0.045 0.000 2.318 369 A HA 0.665 5.012 4.320 0.045 0.000 0.317 369 A C -0.413 177.144 177.584 -0.045 0.000 1.159 369 A CA -0.189 51.800 52.037 -0.080 0.000 0.799 369 A CB 1.276 20.212 19.000 -0.108 0.000 1.194 369 A HN 0.347 nan 8.150 nan 0.000 0.479 370 D N 2.736 123.112 120.400 -0.041 0.000 2.396 370 D HA 0.404 5.071 4.640 0.045 0.000 0.225 370 D C -0.848 175.443 176.300 -0.016 0.000 1.121 370 D CA 0.108 54.099 54.000 -0.015 0.000 0.853 370 D CB 1.023 41.824 40.800 0.001 0.000 1.043 370 D HN 0.135 nan 8.370 nan 0.000 0.500 371 V N 3.789 123.700 119.914 -0.006 0.000 2.370 371 V HA 0.346 4.493 4.120 0.045 0.000 0.279 371 V C 0.156 176.269 176.094 0.031 0.000 1.029 371 V CA -0.684 61.619 62.300 0.006 0.000 0.870 371 V CB 1.380 33.204 31.823 0.002 0.000 0.984 371 V HN 0.602 nan 8.190 nan 0.000 0.451 372 S N 6.135 121.861 115.700 0.043 0.000 2.489 372 S HA 0.682 5.179 4.470 0.045 0.000 0.291 372 S C -0.647 174.014 174.600 0.102 0.000 1.151 372 S CA -0.750 57.486 58.200 0.060 0.000 1.082 372 S CB 1.587 64.814 63.200 0.045 0.000 1.019 372 S HN 0.355 nan 8.310 nan 0.000 0.492 373 L N 3.343 124.649 121.223 0.138 0.000 2.276 373 L HA 0.416 4.783 4.340 0.045 0.000 0.286 373 L C -0.379 176.588 176.870 0.162 0.000 1.061 373 L CA -0.322 54.677 54.840 0.265 0.000 0.807 373 L CB 0.559 42.821 42.059 0.338 0.000 1.177 373 L HN 0.638 nan 8.230 nan 0.000 0.429 374 I N 3.906 124.537 120.570 0.103 0.000 2.442 374 I HA 0.300 4.497 4.170 0.045 0.000 0.279 374 I C 0.750 176.572 176.117 -0.491 0.000 1.081 374 I CA -0.276 60.959 61.300 -0.108 0.000 1.197 374 I CB 0.820 38.794 38.000 -0.044 0.000 1.394 374 I HN 0.589 nan 8.210 nan 0.000 0.488 375 G N 5.489 113.880 108.800 -0.681 0.000 2.327 375 G HA2 0.576 4.562 3.960 0.045 0.000 0.302 375 G HA3 0.576 4.562 3.960 0.045 0.000 0.302 375 G C -0.192 174.405 174.900 -0.505 0.000 1.113 375 G CA -0.170 44.268 45.100 -1.104 0.000 0.921 375 G HN 0.566 nan 8.290 nan 0.000 0.425 376 E N 0.624 120.563 120.200 -0.435 0.000 2.423 376 E HA 0.255 4.632 4.350 0.045 0.000 0.269 376 E C -0.421 176.041 176.600 -0.230 0.000 0.948 376 E CA -0.876 55.370 56.400 -0.256 0.000 0.802 376 E CB 1.980 31.561 29.700 -0.199 0.000 1.339 376 E HN 0.727 nan 8.360 nan 0.000 0.445 377 E N 0.693 120.786 120.200 -0.180 0.000 2.390 377 E HA 0.019 4.396 4.350 0.045 0.000 0.261 377 E C 0.456 176.906 176.600 -0.250 0.000 1.076 377 E CA -0.216 56.077 56.400 -0.178 0.000 0.905 377 E CB 1.068 30.690 29.700 -0.130 0.000 0.984 377 E HN 0.577 nan 8.360 nan 0.000 0.427 378 E N 1.805 121.825 120.200 -0.301 0.000 2.181 378 E HA -0.343 4.033 4.350 0.045 0.000 0.225 378 E C 1.744 177.908 176.600 -0.725 0.000 1.073 378 E CA 2.698 58.762 56.400 -0.561 0.000 0.916 378 E CB -0.116 29.340 29.700 -0.406 0.000 0.793 378 E HN 0.648 nan 8.360 nan 0.000 0.472 379 S N -0.155 115.334 115.700 -0.351 0.000 2.383 379 S HA -0.152 4.345 4.470 0.045 0.000 0.229 379 S C 2.087 176.607 174.600 -0.134 0.000 1.030 379 S CA 1.225 59.325 58.200 -0.167 0.000 1.002 379 S CB -0.168 63.003 63.200 -0.049 0.000 0.829 379 S HN 0.230 nan 8.310 nan 0.000 0.467 380 S N 1.631 117.240 115.700 -0.152 0.000 2.368 380 S HA 0.004 4.501 4.470 0.045 0.000 0.224 380 S C 1.788 176.335 174.600 -0.089 0.000 1.029 380 S CA 0.806 58.949 58.200 -0.094 0.000 0.988 380 S CB -0.344 62.797 63.200 -0.098 0.000 0.838 380 S HN 0.334 nan 8.310 nan 0.000 0.462 381 I N 0.966 121.423 120.570 -0.187 0.000 2.179 381 I HA -0.136 4.060 4.170 0.045 0.000 0.242 381 I C 2.109 178.214 176.117 -0.020 0.000 1.088 381 I CA 1.422 62.632 61.300 -0.150 0.000 1.357 381 I CB -1.626 36.230 38.000 -0.241 0.000 1.051 381 I HN 0.254 nan 8.210 nan 0.000 0.409 382 Y N 1.280 121.560 120.300 -0.033 0.000 2.224 382 Y HA -0.077 4.499 4.550 0.044 0.000 0.289 382 Y C 2.693 178.586 175.900 -0.011 0.000 1.146 382 Y CA 0.668 58.747 58.100 -0.035 0.000 1.182 382 Y CB -1.443 36.992 38.460 -0.042 0.000 0.983 382 Y HN 0.143 nan 8.280 nan 0.000 0.524 383 A N 0.074 122.978 122.820 0.140 0.000 2.014 383 A HA -0.121 4.226 4.320 0.045 0.000 0.218 383 A C 2.320 179.974 177.584 0.115 0.000 1.163 383 A CA 0.987 53.086 52.037 0.103 0.000 0.652 383 A CB -0.417 18.620 19.000 0.062 0.000 0.808 383 A HN 0.382 nan 8.150 nan 0.000 0.449 384 R N -0.746 119.826 120.500 0.120 0.000 2.073 384 R HA -0.079 4.287 4.340 0.045 0.000 0.229 384 R C 2.394 178.877 176.300 0.305 0.000 1.120 384 R CA 1.370 57.589 56.100 0.197 0.000 0.967 384 R CB -0.325 30.082 30.300 0.179 0.000 0.862 384 R HN 0.633 nan 8.270 nan 0.000 0.436 385 Q N 0.395 120.285 119.800 0.150 0.000 2.112 385 Q HA -0.176 4.191 4.340 0.045 0.000 0.206 385 Q C 2.099 178.220 176.000 0.203 0.000 0.987 385 Q CA 1.624 57.474 55.803 0.079 0.000 0.858 385 Q CB -0.023 28.709 28.738 -0.009 0.000 0.905 385 Q HN 0.308 nan 8.270 nan 0.000 0.420 386 R N -0.034 120.564 120.500 0.163 0.000 2.148 386 R HA -0.076 4.290 4.340 0.045 0.000 0.223 386 R C 1.204 177.603 176.300 0.166 0.000 1.088 386 R CA 1.012 57.202 56.100 0.150 0.000 0.985 386 R CB 0.111 30.472 30.300 0.101 0.000 0.880 386 R HN 0.224 nan 8.270 nan 0.000 0.451 387 D N -1.097 119.410 120.400 0.177 0.000 2.301 387 D HA 0.065 4.731 4.640 0.045 0.000 0.206 387 D C 1.139 177.507 176.300 0.112 0.000 0.979 387 D CA 1.097 55.175 54.000 0.130 0.000 0.874 387 D CB 0.564 41.427 40.800 0.104 0.000 0.968 387 D HN 0.353 nan 8.370 nan 0.000 0.510 388 G N 1.374 110.285 108.800 0.185 0.000 2.136 388 G HA2 -0.339 3.648 3.960 0.045 0.000 0.242 388 G HA3 -0.339 3.648 3.960 0.045 0.000 0.242 388 G C 0.416 175.140 174.900 -0.295 0.000 0.989 388 G CA -0.166 44.836 45.100 -0.162 0.000 0.682 388 G HN 0.285 nan 8.290 nan 0.000 0.522 389 R N 0.158 120.675 120.500 0.030 0.000 4.576 389 R HA 0.484 4.851 4.340 0.045 0.000 0.185 389 R C -0.005 176.396 176.300 0.168 0.000 1.837 389 R CA 0.408 56.530 56.100 0.035 0.000 1.520 389 R CB -0.659 29.683 30.300 0.071 0.000 1.403 389 R HN 0.577 nan 8.270 nan 0.000 0.831 390 F N -4.648 115.303 119.950 0.001 0.000 2.654 390 F HA 0.571 5.124 4.527 0.043 0.000 0.308 390 F C 0.706 176.498 175.800 -0.014 0.000 1.108 390 F CA -1.380 56.620 58.000 -0.001 0.000 0.957 390 F CB 0.751 39.755 39.000 0.007 0.000 1.309 390 F HN -0.032 nan 8.300 nan 0.000 0.446 391 G N 0.912 109.800 108.800 0.146 0.000 2.497 391 G HA2 0.338 4.325 3.960 0.045 0.000 0.210 391 G HA3 0.338 4.325 3.960 0.045 0.000 0.210 391 G C -0.075 174.930 174.900 0.175 0.000 1.177 391 G CA 0.080 45.217 45.100 0.061 0.000 0.822 391 G HN 0.489 nan 8.290 nan 0.000 0.550 392 M N -0.285 119.435 119.600 0.200 0.000 2.501 392 M HA 0.624 5.130 4.480 0.045 0.000 0.293 392 M C -1.766 174.582 176.300 0.080 0.000 1.192 392 M CA -0.513 54.867 55.300 0.133 0.000 0.886 392 M CB 3.371 35.959 32.600 -0.020 0.000 1.710 392 M HN 0.047 nan 8.290 nan 0.000 0.457 393 I N 0.869 121.397 120.570 -0.069 0.000 2.752 393 I HA 0.493 4.690 4.170 0.045 0.000 0.295 393 I C -1.442 174.612 176.117 -0.106 0.000 1.219 393 I CA -0.500 60.717 61.300 -0.139 0.000 1.030 393 I CB 2.025 39.685 38.000 -0.566 0.000 1.259 393 I HN 0.538 nan 8.210 nan 0.000 0.423 394 F N 5.549 125.513 119.950 0.023 0.000 2.459 394 F HA 0.369 4.924 4.527 0.047 0.000 0.346 394 F C 0.310 176.188 175.800 0.130 0.000 1.128 394 F CA 0.887 58.924 58.000 0.062 0.000 1.268 394 F CB 0.505 39.542 39.000 0.061 0.000 1.161 394 F HN 0.486 nan 8.300 nan 0.000 0.583 395 H N 1.918 121.090 119.070 0.171 0.000 2.932 395 H HA 0.573 5.155 4.556 0.043 0.000 0.307 395 H C -1.399 173.972 175.328 0.072 0.000 1.391 395 H CA -1.310 54.805 56.048 0.113 0.000 1.130 395 H CB 1.568 31.384 29.762 0.090 0.000 1.836 395 H HN 0.630 nan 8.280 nan 0.000 0.522 396 R N 1.486 121.751 120.500 -0.391 0.000 2.644 396 R HA 0.366 4.733 4.340 0.045 0.000 0.257 396 R C -1.046 174.941 176.300 -0.521 0.000 1.082 396 R CA -0.037 55.859 56.100 -0.339 0.000 0.927 396 R CB 1.025 31.270 30.300 -0.091 0.000 1.258 396 R HN 0.881 nan 8.270 nan 0.000 0.459 397 T N -0.506 113.642 114.554 -0.676 0.000 2.652 397 T HA 0.215 4.592 4.350 0.045 0.000 0.319 397 T C 0.394 174.953 174.700 -0.235 0.000 1.029 397 T CA -0.151 61.345 62.100 -1.008 0.000 0.990 397 T CB 0.372 68.632 68.868 -1.012 0.000 1.098 397 T HN 0.684 nan 8.240 nan 0.000 0.520 398 W N 0.172 121.337 121.300 -0.226 0.000 2.998 398 W HA 0.489 5.178 4.660 0.049 0.000 0.336 398 W C 1.326 177.854 176.519 0.016 0.000 1.112 398 W CA 0.035 57.312 57.345 -0.114 0.000 1.682 398 W CB -1.280 28.077 29.460 -0.170 0.000 1.065 398 W HN 1.403 nan 8.180 nan 0.000 0.570 399 G N 1.242 110.187 108.800 0.242 0.000 2.741 399 G HA2 0.075 4.062 3.960 0.045 0.000 0.222 399 G HA3 0.075 4.062 3.960 0.045 0.000 0.222 399 G C -0.169 174.883 174.900 0.254 0.000 1.364 399 G CA -0.511 44.706 45.100 0.195 0.000 0.866 399 G HN 0.455 nan 8.290 nan 0.000 0.555 400 A N 0.400 123.310 122.820 0.150 0.000 2.354 400 A HA 0.765 5.112 4.320 0.045 0.000 0.269 400 A C -0.795 176.730 177.584 -0.099 0.000 1.109 400 A CA -0.394 51.666 52.037 0.039 0.000 0.800 400 A CB 1.054 20.112 19.000 0.096 0.000 1.045 400 A HN 0.706 nan 8.150 nan 0.000 0.489 401 P HA 0.131 nan 4.420 nan 0.000 0.266 401 P C 0.188 177.404 177.300 -0.140 0.000 1.381 401 P CA 0.340 63.140 63.100 -0.501 0.000 0.940 401 P CB -0.067 31.005 31.700 -1.047 0.000 1.435 402 Y N 0.187 120.526 120.300 0.066 0.000 2.293 402 Y HA -0.066 4.511 4.550 0.044 0.000 0.291 402 Y C 0.791 176.730 175.900 0.065 0.000 1.137 402 Y CA 0.783 58.977 58.100 0.157 0.000 1.202 402 Y CB -0.451 38.272 38.460 0.438 0.000 0.990 402 Y HN -0.050 nan 8.280 nan 0.000 0.537 403 D N 0.374 120.890 120.400 0.195 0.000 2.232 403 D HA 0.143 4.810 4.640 0.045 0.000 0.242 403 D C -1.704 174.495 176.300 -0.169 0.000 1.093 403 D CA -1.894 52.098 54.000 -0.013 0.000 0.845 403 D CB 1.409 42.233 40.800 0.039 0.000 1.124 403 D HN 0.079 nan 8.370 nan 0.000 0.467 404 P HA -0.013 nan 4.420 nan 0.000 0.268 404 P C 1.183 178.426 177.300 -0.095 0.000 1.248 404 P CA 0.339 63.066 63.100 -0.620 0.000 0.851 404 P CB 0.283 31.320 31.700 -1.106 0.000 1.238 405 H N 0.906 119.999 119.070 0.038 0.000 2.353 405 H HA 0.037 4.620 4.556 0.044 0.000 0.300 405 H C 1.448 176.928 175.328 0.252 0.000 1.090 405 H CA 1.834 57.995 56.048 0.189 0.000 1.327 405 H CB -0.843 29.006 29.762 0.145 0.000 1.383 405 H HN 0.035 nan 8.280 nan 0.000 0.508 406 A N 0.570 122.999 122.820 -0.652 0.000 1.975 406 A HA 0.025 4.372 4.320 0.045 0.000 0.215 406 A C 2.342 180.061 177.584 0.225 0.000 1.170 406 A CA 0.393 52.341 52.037 -0.148 0.000 0.656 406 A CB -1.044 17.983 19.000 0.045 0.000 0.821 406 A HN 0.389 nan 8.150 nan 0.000 0.449 407 F N 0.633 120.571 119.950 -0.020 0.000 2.134 407 F HA -0.141 4.411 4.527 0.042 0.000 0.299 407 F C 1.953 177.729 175.800 -0.041 0.000 1.097 407 F CA 1.560 59.385 58.000 -0.292 0.000 1.264 407 F CB -0.007 38.837 39.000 -0.261 0.000 1.001 407 F HN 0.124 nan 8.300 nan 0.000 0.479 408 L N -1.273 120.088 121.223 0.229 0.000 2.072 408 L HA -0.206 4.161 4.340 0.045 0.000 0.205 408 L C 2.708 179.670 176.870 0.153 0.000 1.079 408 L CA 1.388 56.364 54.840 0.226 0.000 0.752 408 L CB -1.064 41.199 42.059 0.339 0.000 0.906 408 L HN 0.162 nan 8.230 nan 0.000 0.436 409 S N -0.342 115.468 115.700 0.182 0.000 2.372 409 S HA -0.260 4.237 4.470 0.045 0.000 0.227 409 S C 2.178 176.859 174.600 0.135 0.000 1.044 409 S CA 2.140 60.449 58.200 0.182 0.000 1.050 409 S CB -0.176 63.168 63.200 0.240 0.000 0.901 409 S HN 0.385 nan 8.310 nan 0.000 0.447 410 S N 0.959 116.733 115.700 0.123 0.000 2.442 410 S HA 0.048 4.545 4.470 0.045 0.000 0.236 410 S C 1.649 176.266 174.600 0.028 0.000 1.007 410 S CA 1.213 59.473 58.200 0.101 0.000 0.965 410 S CB -0.393 62.946 63.200 0.231 0.000 0.773 410 S HN 0.587 nan 8.310 nan 0.000 0.504 411 M N 0.356 119.967 119.600 0.020 0.000 2.539 411 M HA -0.058 4.449 4.480 0.045 0.000 0.261 411 M C 2.007 178.459 176.300 0.253 0.000 1.069 411 M CA 0.988 56.354 55.300 0.111 0.000 1.081 411 M CB -0.331 32.333 32.600 0.107 0.000 1.412 411 M HN 0.145 nan 8.290 nan 0.000 0.482 412 R N -0.106 120.502 120.500 0.179 0.000 2.153 412 R HA 0.069 4.436 4.340 0.045 0.000 0.218 412 R C 0.170 176.489 176.300 0.030 0.000 1.072 412 R CA 0.359 56.570 56.100 0.184 0.000 0.990 412 R CB 0.286 30.642 30.300 0.093 0.000 0.889 412 R HN 0.130 nan 8.270 nan 0.000 0.452 413 V N 2.628 122.484 119.914 -0.096 0.000 2.408 413 V HA 0.108 4.255 4.120 0.045 0.000 0.267 413 V C -1.675 174.121 176.094 -0.497 0.000 1.047 413 V CA -1.297 60.812 62.300 -0.318 0.000 0.937 413 V CB 1.513 33.075 31.823 -0.434 0.000 0.999 413 V HN 0.036 nan 8.190 nan 0.000 0.472 414 P HA -0.115 nan 4.420 nan 0.000 0.221 414 P C 1.308 178.439 177.300 -0.282 0.000 1.145 414 P CA 1.247 63.683 63.100 -1.107 0.000 0.795 414 P CB 0.170 31.401 31.700 -0.782 0.000 0.775 415 S N -2.973 112.661 115.700 -0.110 0.000 2.660 415 S HA 0.078 4.575 4.470 0.045 0.000 0.227 415 S C 0.366 175.142 174.600 0.294 0.000 0.948 415 S CA -0.298 57.955 58.200 0.087 0.000 0.948 415 S CB -0.970 62.270 63.200 0.066 0.000 0.779 415 S HN 0.098 nan 8.310 nan 0.000 0.487 416 H N 0.485 119.590 119.070 0.059 0.000 2.529 416 H HA 0.732 5.314 4.556 0.044 0.000 0.348 416 H C 1.228 176.625 175.328 0.116 0.000 1.152 416 H CA -0.380 55.715 56.048 0.078 0.000 1.202 416 H CB 1.552 31.367 29.762 0.088 0.000 1.562 416 H HN 0.145 nan 8.280 nan 0.000 0.515 417 A N 2.362 125.227 122.820 0.075 0.000 1.958 417 A HA -0.211 4.135 4.320 0.045 0.000 0.221 417 A C 1.678 179.334 177.584 0.119 0.000 1.178 417 A CA 2.140 54.169 52.037 -0.014 0.000 0.642 417 A CB -0.292 18.439 19.000 -0.448 0.000 0.816 417 A HN 0.820 nan 8.150 nan 0.000 0.453 418 D N -1.664 118.813 120.400 0.128 0.000 2.183 418 D HA -0.093 4.574 4.640 0.045 0.000 0.203 418 D C 1.668 178.089 176.300 0.203 0.000 0.969 418 D CA 1.237 55.358 54.000 0.200 0.000 0.842 418 D CB -0.220 40.684 40.800 0.172 0.000 0.957 418 D HN 0.554 nan 8.370 nan 0.000 0.484 419 F N 2.393 122.405 119.950 0.103 0.000 2.084 419 F HA -0.180 4.376 4.527 0.049 0.000 0.296 419 F C 2.482 178.325 175.800 0.071 0.000 1.111 419 F CA 1.287 59.332 58.000 0.074 0.000 1.224 419 F CB -0.095 38.942 39.000 0.061 0.000 0.991 419 F HN -0.237 nan 8.300 nan 0.000 0.471 420 Q N 0.726 120.724 119.800 0.330 0.000 2.096 420 Q HA -0.205 4.162 4.340 0.045 0.000 0.204 420 Q C 2.500 178.506 176.000 0.010 0.000 0.982 420 Q CA 1.673 57.585 55.803 0.181 0.000 0.850 420 Q CB -1.243 27.676 28.738 0.301 0.000 0.901 420 Q HN 0.565 nan 8.270 nan 0.000 0.422 421 A N 0.800 123.699 122.820 0.130 0.000 2.019 421 A HA -0.193 4.153 4.320 0.045 0.000 0.219 421 A C 1.835 179.347 177.584 -0.119 0.000 1.164 421 A CA 1.378 53.432 52.037 0.029 0.000 0.644 421 A CB -0.292 18.770 19.000 0.103 0.000 0.805 421 A HN 0.399 nan 8.150 nan 0.000 0.449 422 Q N -1.168 118.539 119.800 -0.155 0.000 2.319 422 Q HA 0.040 4.407 4.340 0.045 0.000 0.202 422 Q C 1.640 177.489 176.000 -0.252 0.000 0.896 422 Q CA -0.125 55.561 55.803 -0.196 0.000 0.942 422 Q CB 0.214 28.853 28.738 -0.166 0.000 1.083 422 Q HN 0.499 nan 8.270 nan 0.000 0.510 423 Q N -0.097 119.530 119.800 -0.290 0.000 2.135 423 Q HA -0.106 4.260 4.340 0.045 0.000 0.204 423 Q C 1.941 177.833 176.000 -0.181 0.000 0.981 423 Q CA 1.632 57.258 55.803 -0.294 0.000 0.856 423 Q CB -0.400 28.193 28.738 -0.242 0.000 0.902 423 Q HN 0.503 nan 8.270 nan 0.000 0.425 424 G N -0.233 108.478 108.800 -0.148 0.000 2.679 424 G HA2 0.013 3.999 3.960 0.045 0.000 0.212 424 G HA3 0.013 3.999 3.960 0.045 0.000 0.212 424 G C 0.513 175.359 174.900 -0.089 0.000 1.137 424 G CA -0.150 44.887 45.100 -0.105 0.000 0.787 424 G HN 0.184 nan 8.290 nan 0.000 0.534 425 L N 0.775 121.937 121.223 -0.102 0.000 2.367 425 L HA 0.332 4.699 4.340 0.045 0.000 0.275 425 L C 1.890 178.724 176.870 -0.059 0.000 1.129 425 L CA -0.499 54.297 54.840 -0.074 0.000 0.839 425 L CB 1.348 43.363 42.059 -0.074 0.000 1.133 425 L HN 0.103 nan 8.230 nan 0.000 0.453 426 A N 1.906 124.703 122.820 -0.038 0.000 1.933 426 A HA -0.165 4.181 4.320 0.045 0.000 0.218 426 A C 1.585 179.157 177.584 -0.020 0.000 1.175 426 A CA 1.408 53.430 52.037 -0.025 0.000 0.628 426 A CB -0.299 18.693 19.000 -0.015 0.000 0.814 426 A HN 0.825 nan 8.150 nan 0.000 0.444 427 D N -0.806 119.584 120.400 -0.017 0.000 2.378 427 D HA -0.040 4.627 4.640 0.045 0.000 0.227 427 D C 1.712 178.006 176.300 -0.011 0.000 1.012 427 D CA 0.799 54.796 54.000 -0.006 0.000 0.905 427 D CB 0.024 40.826 40.800 0.004 0.000 0.895 427 D HN 0.423 nan 8.370 nan 0.000 0.532 428 K N 1.197 121.575 120.400 -0.036 0.000 2.032 428 K HA -0.107 4.240 4.320 0.045 0.000 0.209 428 K C -1.007 175.580 176.600 -0.022 0.000 1.048 428 K CA 1.291 57.544 56.287 -0.055 0.000 0.927 428 K CB -1.144 31.276 32.500 -0.133 0.000 0.712 428 K HN 0.116 nan 8.250 nan 0.000 0.441 429 P HA -0.129 nan 4.420 nan 0.000 0.216 429 P C 1.278 178.596 177.300 0.029 0.000 1.153 429 P CA 0.886 63.999 63.100 0.022 0.000 0.848 429 P CB -0.038 31.674 31.700 0.020 0.000 0.787 430 L N -0.585 120.651 121.223 0.022 0.000 2.012 430 L HA -0.161 4.206 4.340 0.045 0.000 0.210 430 L C 2.189 179.080 176.870 0.036 0.000 1.073 430 L CA 1.792 56.648 54.840 0.027 0.000 0.748 430 L CB -1.312 40.760 42.059 0.023 0.000 0.891 430 L HN -0.136 nan 8.230 nan 0.000 0.431 431 I N -0.179 120.414 120.570 0.039 0.000 2.118 431 I HA -0.341 3.855 4.170 0.045 0.000 0.241 431 I C 2.105 178.263 176.117 0.068 0.000 1.070 431 I CA 1.711 63.045 61.300 0.057 0.000 1.327 431 I CB -0.564 37.471 38.000 0.059 0.000 1.034 431 I HN 0.297 nan 8.210 nan 0.000 0.405 432 D N 0.572 121.013 120.400 0.069 0.000 2.149 432 D HA -0.204 4.463 4.640 0.045 0.000 0.198 432 D C 2.101 178.445 176.300 0.073 0.000 0.990 432 D CA 1.077 55.130 54.000 0.088 0.000 0.839 432 D CB -0.212 40.653 40.800 0.109 0.000 0.948 432 D HN 0.249 nan 8.370 nan 0.000 0.460 433 K N 0.634 121.068 120.400 0.056 0.000 2.026 433 K HA -0.134 4.213 4.320 0.045 0.000 0.208 433 K C 1.873 178.495 176.600 0.037 0.000 1.048 433 K CA 1.074 57.388 56.287 0.044 0.000 0.929 433 K CB 0.050 32.571 32.500 0.035 0.000 0.713 433 K HN 0.145 nan 8.250 nan 0.000 0.439 434 E N 0.429 120.649 120.200 0.033 0.000 2.153 434 E HA -0.159 4.218 4.350 0.045 0.000 0.194 434 E C 2.049 178.653 176.600 0.007 0.000 0.988 434 E CA 0.975 57.383 56.400 0.014 0.000 0.811 434 E CB -0.060 29.650 29.700 0.017 0.000 0.746 434 E HN 0.331 nan 8.360 nan 0.000 0.466 435 I N 0.794 121.392 120.570 0.047 0.000 2.226 435 I HA -0.201 3.995 4.170 0.045 0.000 0.245 435 I C 2.529 178.684 176.117 0.063 0.000 1.100 435 I CA 1.195 62.536 61.300 0.069 0.000 1.374 435 I CB -0.484 37.586 38.000 0.117 0.000 1.057 435 I HN 0.168 nan 8.210 nan 0.000 0.413 436 G N 0.356 109.194 108.800 0.063 0.000 2.418 436 G HA2 -0.220 3.767 3.960 0.045 0.000 0.217 436 G HA3 -0.220 3.767 3.960 0.045 0.000 0.217 436 G C 1.508 176.441 174.900 0.056 0.000 1.158 436 G CA 0.587 45.728 45.100 0.068 0.000 0.771 436 G HN 0.422 nan 8.290 nan 0.000 0.545 437 E N -0.255 119.960 120.200 0.026 0.000 2.106 437 E HA -0.065 4.311 4.350 0.045 0.000 0.192 437 E C 2.532 179.118 176.600 -0.022 0.000 0.984 437 E CA 0.778 57.184 56.400 0.009 0.000 0.806 437 E CB -0.221 29.476 29.700 -0.006 0.000 0.750 437 E HN 0.255 nan 8.360 nan 0.000 0.458 438 V N 1.015 120.879 119.914 -0.082 0.000 2.515 438 V HA -0.182 3.965 4.120 0.045 0.000 0.250 438 V C 1.808 177.864 176.094 -0.063 0.000 1.058 438 V CA 1.199 63.369 62.300 -0.217 0.000 1.064 438 V CB -0.071 31.435 31.823 -0.529 0.000 0.675 438 V HN 0.189 nan 8.190 nan 0.000 0.461 439 L N 0.097 121.331 121.223 0.019 0.000 2.313 439 L HA 0.225 4.592 4.340 0.045 0.000 0.214 439 L C 2.143 179.024 176.870 0.017 0.000 1.119 439 L CA 1.832 56.669 54.840 -0.005 0.000 0.809 439 L CB -0.977 41.175 42.059 0.155 0.000 0.933 439 L HN 0.398 nan 8.230 nan 0.000 0.449 440 A N -2.481 120.403 122.820 0.105 0.000 2.470 440 A HA 0.245 4.591 4.320 0.045 0.000 0.251 440 A C 0.847 178.483 177.584 0.087 0.000 1.245 440 A CA -0.089 52.029 52.037 0.136 0.000 0.932 440 A CB -0.263 18.833 19.000 0.160 0.000 1.037 440 A HN 0.208 nan 8.150 nan 0.000 0.522 441 T N 0.379 114.930 114.554 -0.005 0.000 2.780 441 T HA 0.293 4.670 4.350 0.045 0.000 0.294 441 T C 0.516 175.085 174.700 -0.218 0.000 0.949 441 T CA -0.008 62.057 62.100 -0.059 0.000 1.074 441 T CB 0.289 69.096 68.868 -0.102 0.000 0.910 441 T HN 0.410 nan 8.240 nan 0.000 0.501 442 H N 0.643 119.711 119.070 -0.004 0.000 2.827 442 H HA 0.114 4.697 4.556 0.045 0.000 0.269 442 H C 0.288 175.604 175.328 -0.020 0.000 1.031 442 H CA -0.285 55.755 56.048 -0.014 0.000 1.202 442 H CB 0.753 30.530 29.762 0.026 0.000 1.511 442 H HN 0.507 nan 8.280 nan 0.000 0.517 443 D N 1.911 122.350 120.400 0.065 0.000 2.346 443 D HA -0.050 4.617 4.640 0.045 0.000 0.260 443 D C 1.087 177.381 176.300 -0.010 0.000 1.252 443 D CA 0.265 54.283 54.000 0.030 0.000 0.895 443 D CB 1.362 42.175 40.800 0.021 0.000 1.097 443 D HN 0.187 nan 8.370 nan 0.000 0.489 444 E N 1.754 121.957 120.200 0.006 0.000 2.208 444 E HA -0.129 4.248 4.350 0.045 0.000 0.193 444 E C 1.765 178.375 176.600 0.016 0.000 0.988 444 E CA 1.091 57.492 56.400 0.000 0.000 0.828 444 E CB 0.158 29.875 29.700 0.029 0.000 0.763 444 E HN 0.563 nan 8.360 nan 0.000 0.478 445 T N -1.408 113.157 114.554 0.018 0.000 2.942 445 T HA -0.130 4.247 4.350 0.045 0.000 0.265 445 T C 1.838 176.544 174.700 0.011 0.000 1.062 445 T CA 1.256 63.371 62.100 0.026 0.000 1.139 445 T CB -0.111 68.773 68.868 0.027 0.000 0.883 445 T HN 0.054 nan 8.240 nan 0.000 0.468 446 Q N 0.956 120.751 119.800 -0.009 0.000 2.167 446 Q HA 0.093 4.460 4.340 0.045 0.000 0.202 446 Q C 2.346 178.302 176.000 -0.074 0.000 0.970 446 Q CA 1.554 57.341 55.803 -0.027 0.000 0.855 446 Q CB -0.405 28.319 28.738 -0.024 0.000 0.911 446 Q HN 0.626 nan 8.270 nan 0.000 0.438 447 R N -0.392 120.042 120.500 -0.110 0.000 2.073 447 R HA -0.137 4.230 4.340 0.045 0.000 0.234 447 R C 2.270 178.478 176.300 -0.152 0.000 1.134 447 R CA 1.926 57.886 56.100 -0.233 0.000 0.952 447 R CB -0.111 30.002 30.300 -0.312 0.000 0.850 447 R HN 0.382 nan 8.270 nan 0.000 0.433 448 Q N -0.483 119.329 119.800 0.020 0.000 2.096 448 Q HA -0.161 4.206 4.340 0.045 0.000 0.204 448 Q C 2.139 178.203 176.000 0.106 0.000 0.982 448 Q CA 1.803 57.700 55.803 0.157 0.000 0.850 448 Q CB -0.184 28.663 28.738 0.182 0.000 0.901 448 Q HN 0.483 nan 8.270 nan 0.000 0.422 449 A N 0.492 123.338 122.820 0.043 0.000 1.933 449 A HA -0.153 4.194 4.320 0.045 0.000 0.218 449 A C 2.016 179.615 177.584 0.025 0.000 1.175 449 A CA 1.083 53.142 52.037 0.037 0.000 0.628 449 A CB -0.514 18.498 19.000 0.020 0.000 0.814 449 A HN 0.280 nan 8.150 nan 0.000 0.444 450 L N -2.381 118.818 121.223 -0.039 0.000 2.023 450 L HA -0.138 4.229 4.340 0.045 0.000 0.205 450 L C 2.532 179.393 176.870 -0.016 0.000 1.073 450 L CA 1.362 56.157 54.840 -0.075 0.000 0.745 450 L CB -0.635 41.310 42.059 -0.190 0.000 0.900 450 L HN 0.494 nan 8.230 nan 0.000 0.435 451 Y N -0.147 120.148 120.300 -0.008 0.000 2.193 451 Y HA -0.369 4.206 4.550 0.041 0.000 0.285 451 Y C 2.901 178.844 175.900 0.071 0.000 1.166 451 Y CA 1.328 59.442 58.100 0.024 0.000 1.181 451 Y CB -0.181 38.266 38.460 -0.022 0.000 0.976 451 Y HN 0.147 nan 8.280 nan 0.000 0.520 452 R N 0.693 121.327 120.500 0.224 0.000 2.080 452 R HA -0.227 4.140 4.340 0.045 0.000 0.236 452 R C 1.834 178.215 176.300 0.136 0.000 1.137 452 R CA 2.352 58.547 56.100 0.159 0.000 0.943 452 R CB -0.548 29.822 30.300 0.117 0.000 0.846 452 R HN 0.281 nan 8.270 nan 0.000 0.431 453 D N -0.317 120.149 120.400 0.110 0.000 2.104 453 D HA -0.148 4.519 4.640 0.045 0.000 0.194 453 D C 1.894 178.266 176.300 0.119 0.000 0.994 453 D CA 1.837 55.894 54.000 0.095 0.000 0.830 453 D CB 0.004 40.843 40.800 0.065 0.000 0.959 453 D HN 0.337 nan 8.370 nan 0.000 0.452 454 I N 0.018 120.674 120.570 0.144 0.000 2.127 454 I HA -0.266 3.931 4.170 0.045 0.000 0.241 454 I C 2.327 178.568 176.117 0.208 0.000 1.075 454 I CA 0.883 62.287 61.300 0.174 0.000 1.334 454 I CB -0.240 37.890 38.000 0.216 0.000 1.040 454 I HN 0.137 nan 8.210 nan 0.000 0.405 455 L N -0.309 121.057 121.223 0.237 0.000 2.156 455 L HA -0.149 4.218 4.340 0.045 0.000 0.208 455 L C 2.579 179.579 176.870 0.216 0.000 1.095 455 L CA 1.264 56.255 54.840 0.252 0.000 0.770 455 L CB -0.841 41.373 42.059 0.258 0.000 0.914 455 L HN 0.285 nan 8.230 nan 0.000 0.439 456 T N -0.599 114.060 114.554 0.175 0.000 2.737 456 T HA -0.123 4.254 4.350 0.045 0.000 0.265 456 T C 2.011 176.812 174.700 0.168 0.000 1.038 456 T CA 1.000 63.197 62.100 0.162 0.000 1.144 456 T CB -0.126 68.813 68.868 0.119 0.000 0.866 456 T HN 0.287 nan 8.240 nan 0.000 0.434 457 R N 0.786 121.368 120.500 0.136 0.000 2.091 457 R HA -0.009 4.358 4.340 0.045 0.000 0.238 457 R C 2.473 178.840 176.300 0.111 0.000 1.136 457 R CA 1.147 57.310 56.100 0.106 0.000 0.959 457 R CB -0.721 29.632 30.300 0.087 0.000 0.856 457 R HN 0.368 nan 8.270 nan 0.000 0.437 458 L N -0.754 120.564 121.223 0.157 0.000 2.093 458 L HA -0.174 4.193 4.340 0.045 0.000 0.208 458 L C 2.542 179.521 176.870 0.182 0.000 1.085 458 L CA 1.322 56.266 54.840 0.173 0.000 0.755 458 L CB -0.525 41.704 42.059 0.282 0.000 0.904 458 L HN 0.252 nan 8.230 nan 0.000 0.435 459 H N 0.436 119.575 119.070 0.115 0.000 2.293 459 H HA -0.172 4.403 4.556 0.031 0.000 0.300 459 H C 1.798 177.152 175.328 0.043 0.000 1.082 459 H CA 1.954 58.052 56.048 0.083 0.000 1.308 459 H CB 0.096 29.906 29.762 0.079 0.000 1.375 459 H HN 0.197 nan 8.280 nan 0.000 0.495 460 D N 0.150 120.597 120.400 0.079 0.000 2.264 460 D HA -0.092 4.575 4.640 0.045 0.000 0.208 460 D C 1.467 177.745 176.300 -0.036 0.000 0.966 460 D CA 0.652 54.656 54.000 0.006 0.000 0.864 460 D CB -0.006 40.833 40.800 0.064 0.000 0.933 460 D HN 0.509 nan 8.370 nan 0.000 0.499 461 E N 0.192 120.374 120.200 -0.029 0.000 2.489 461 E HA 0.147 4.524 4.350 0.045 0.000 0.193 461 E C 0.822 177.365 176.600 -0.095 0.000 1.057 461 E CA 0.192 56.562 56.400 -0.051 0.000 0.866 461 E CB 0.083 29.758 29.700 -0.041 0.000 0.916 461 E HN 0.131 nan 8.360 nan 0.000 0.500 462 A N 0.864 123.606 122.820 -0.130 0.000 2.596 462 A HA -0.228 4.118 4.320 0.045 0.000 0.300 462 A C 1.650 179.132 177.584 -0.170 0.000 1.495 462 A CA 0.689 52.631 52.037 -0.158 0.000 0.769 462 A CB -2.279 16.628 19.000 -0.155 0.000 1.047 462 A HN 0.144 nan 8.150 nan 0.000 0.436 463 V N -1.973 117.805 119.914 -0.228 0.000 2.392 463 V HA -0.183 3.964 4.120 0.045 0.000 0.249 463 V C 1.272 177.013 176.094 -0.589 0.000 1.059 463 V CA 2.212 64.243 62.300 -0.450 0.000 1.051 463 V CB -0.713 30.699 31.823 -0.686 0.000 0.658 463 V HN 0.688 nan 8.190 nan 0.000 0.455 464 Y N -1.760 118.522 120.300 -0.029 0.000 2.567 464 Y HA 0.662 5.237 4.550 0.042 0.000 0.333 464 Y C -0.159 175.691 175.900 -0.083 0.000 1.106 464 Y CA -1.179 56.898 58.100 -0.037 0.000 1.157 464 Y CB 1.587 40.031 38.460 -0.027 0.000 1.277 464 Y HN -0.146 nan 8.280 nan 0.000 0.490 465 L N 4.436 125.706 121.223 0.079 0.000 2.384 465 L HA 0.519 4.886 4.340 0.045 0.000 0.261 465 L C -2.836 174.007 176.870 -0.046 0.000 1.024 465 L CA -2.015 52.808 54.840 -0.028 0.000 0.899 465 L CB 1.197 43.210 42.059 -0.076 0.000 1.243 465 L HN 0.361 nan 8.230 nan 0.000 0.449 466 P HA 0.173 nan 4.420 nan 0.000 0.268 466 P C 0.227 177.429 177.300 -0.163 0.000 1.204 466 P CA 0.273 63.297 63.100 -0.127 0.000 0.768 466 P CB 1.228 32.851 31.700 -0.128 0.000 0.842 467 I N 0.083 120.538 120.570 -0.191 0.000 3.393 467 I HA 0.098 4.294 4.170 0.045 0.000 0.250 467 I C 0.891 176.862 176.117 -0.244 0.000 1.122 467 I CA 0.621 61.818 61.300 -0.171 0.000 1.484 467 I CB 0.088 38.029 38.000 -0.098 0.000 1.468 467 I HN 0.290 nan 8.210 nan 0.000 0.461 468 S N -0.822 114.715 115.700 -0.272 0.000 2.549 468 S HA 0.525 5.021 4.470 0.045 0.000 0.280 468 S C -1.608 172.780 174.600 -0.353 0.000 1.109 468 S CA -0.443 57.581 58.200 -0.294 0.000 0.905 468 S CB 0.976 64.089 63.200 -0.146 0.000 1.081 468 S HN 0.091 nan 8.310 nan 0.000 0.477 469 Y N 3.813 124.070 120.300 -0.071 0.000 2.404 469 Y HA 0.455 5.030 4.550 0.042 0.000 0.344 469 Y C 0.540 176.391 175.900 -0.082 0.000 0.970 469 Y CA -1.172 56.881 58.100 -0.079 0.000 1.180 469 Y CB 0.043 38.464 38.460 -0.066 0.000 1.138 469 Y HN 0.638 nan 8.280 nan 0.000 0.510 470 I N -0.802 119.791 120.570 0.038 0.000 2.783 470 I HA 0.810 5.006 4.170 0.045 0.000 0.312 470 I C 0.041 176.121 176.117 -0.061 0.000 0.988 470 I CA -0.466 60.813 61.300 -0.035 0.000 1.182 470 I CB 1.641 39.603 38.000 -0.063 0.000 1.368 470 I HN 0.289 nan 8.210 nan 0.000 0.511 471 S N 2.600 118.230 115.700 -0.116 0.000 2.638 471 S HA 0.673 5.169 4.470 0.045 0.000 0.302 471 S C -0.462 174.003 174.600 -0.225 0.000 1.096 471 S CA -0.629 57.468 58.200 -0.172 0.000 0.953 471 S CB 1.460 64.552 63.200 -0.181 0.000 1.107 471 S HN 0.706 nan 8.310 nan 0.000 0.503 472 M N 2.606 122.025 119.600 -0.302 0.000 2.255 472 M HA 0.551 5.057 4.480 0.045 0.000 0.336 472 M C -0.698 175.389 176.300 -0.355 0.000 1.135 472 M CA 0.070 55.165 55.300 -0.342 0.000 1.145 472 M CB 0.416 32.761 32.600 -0.425 0.000 1.473 472 M HN 0.717 nan 8.290 nan 0.000 0.462 473 M N 2.109 121.491 119.600 -0.363 0.000 2.484 473 M HA 0.791 5.298 4.480 0.045 0.000 0.289 473 M C -1.784 174.363 176.300 -0.256 0.000 1.206 473 M CA -1.016 54.086 55.300 -0.329 0.000 0.892 473 M CB 1.738 33.974 32.600 -0.606 0.000 1.712 473 M HN 0.297 nan 8.290 nan 0.000 0.462 474 V N 2.003 121.871 119.914 -0.076 0.000 2.656 474 V HA 0.756 4.903 4.120 0.045 0.000 0.307 474 V C -0.739 175.401 176.094 0.077 0.000 1.051 474 V CA -0.732 61.566 62.300 -0.003 0.000 0.893 474 V CB 2.093 33.941 31.823 0.041 0.000 0.999 474 V HN 0.771 nan 8.190 nan 0.000 0.426 475 V N 3.454 123.359 119.914 -0.016 0.000 2.531 475 V HA 0.823 4.970 4.120 0.045 0.000 0.301 475 V C -0.246 175.695 176.094 -0.256 0.000 1.034 475 V CA -0.213 61.958 62.300 -0.216 0.000 0.865 475 V CB 2.053 33.609 31.823 -0.445 0.000 0.995 475 V HN 1.096 nan 8.190 nan 0.000 0.424 476 S N 3.449 119.110 115.700 -0.066 0.000 2.556 476 S HA 0.622 5.118 4.470 0.045 0.000 0.271 476 S C -1.030 173.856 174.600 0.477 0.000 1.135 476 S CA -1.185 57.171 58.200 0.259 0.000 0.858 476 S CB 1.745 65.097 63.200 0.253 0.000 1.114 476 S HN 0.529 nan 8.310 nan 0.000 0.468 477 K N 1.660 122.332 120.400 0.454 0.000 2.451 477 K HA 0.182 4.529 4.320 0.045 0.000 0.280 477 K C -1.745 174.963 176.600 0.180 0.000 1.020 477 K CA -1.629 54.819 56.287 0.269 0.000 1.008 477 K CB 0.272 32.837 32.500 0.108 0.000 0.917 477 K HN 0.372 nan 8.250 nan 0.000 0.478 478 P HA -0.226 nan 4.420 nan 0.000 0.217 478 P C 1.099 178.389 177.300 -0.017 0.000 1.148 478 P CA 1.545 64.670 63.100 0.042 0.000 0.828 478 P CB 0.174 31.896 31.700 0.037 0.000 0.783 479 E N -0.031 120.175 120.200 0.009 0.000 2.333 479 E HA -0.142 4.235 4.350 0.045 0.000 0.198 479 E C 1.856 178.452 176.600 -0.006 0.000 1.007 479 E CA 0.896 57.293 56.400 -0.005 0.000 0.845 479 E CB -1.551 28.150 29.700 0.001 0.000 0.766 479 E HN 0.246 nan 8.360 nan 0.000 0.507 480 L N -1.084 120.143 121.223 0.008 0.000 2.478 480 L HA 0.276 4.643 4.340 0.045 0.000 0.223 480 L C 1.624 178.485 176.870 -0.015 0.000 1.140 480 L CA 0.497 55.347 54.840 0.017 0.000 0.842 480 L CB -0.746 41.349 42.059 0.059 0.000 0.953 480 L HN 0.673 nan 8.230 nan 0.000 0.452 481 G N 0.668 109.424 108.800 -0.073 0.000 2.750 481 G HA2 -0.333 3.654 3.960 0.045 0.000 0.228 481 G HA3 -0.333 3.654 3.960 0.045 0.000 0.228 481 G C -0.210 174.600 174.900 -0.150 0.000 1.367 481 G CA -0.219 44.810 45.100 -0.118 0.000 0.871 481 G HN 0.366 nan 8.290 nan 0.000 0.560 482 N N 0.121 118.755 118.700 -0.109 0.000 2.454 482 N HA 0.280 5.047 4.740 0.045 0.000 0.260 482 N C 0.623 176.130 175.510 -0.005 0.000 1.218 482 N CA -0.148 52.888 53.050 -0.023 0.000 0.904 482 N CB 0.096 38.579 38.487 -0.006 0.000 1.065 482 N HN 0.548 nan 8.380 nan 0.000 0.462 483 I N 5.066 125.648 120.570 0.020 0.000 2.325 483 I HA 0.328 4.525 4.170 0.045 0.000 0.291 483 I C -1.980 174.000 176.117 -0.229 0.000 1.019 483 I CA -2.342 58.933 61.300 -0.042 0.000 1.302 483 I CB 0.577 38.609 38.000 0.054 0.000 1.401 483 I HN 0.439 nan 8.210 nan 0.000 0.485 484 P HA 0.342 nan 4.420 nan 0.000 0.278 484 P C -1.260 175.866 177.300 -0.289 0.000 1.258 484 P CA -0.240 62.715 63.100 -0.243 0.000 0.811 484 P CB 0.492 32.144 31.700 -0.080 0.000 1.063 485 Y N -0.506 119.866 120.300 0.119 0.000 2.387 485 Y HA 0.594 5.171 4.550 0.046 0.000 0.330 485 Y C 0.771 176.734 175.900 0.104 0.000 1.133 485 Y CA -1.206 56.984 58.100 0.151 0.000 1.152 485 Y CB 0.978 39.493 38.460 0.093 0.000 1.215 485 Y HN 0.287 nan 8.280 nan 0.000 0.466 486 A N 3.418 126.405 122.820 0.279 0.000 2.310 486 A HA 0.420 4.767 4.320 0.045 0.000 0.299 486 A C -1.756 175.941 177.584 0.189 0.000 1.147 486 A CA -1.569 50.566 52.037 0.163 0.000 0.818 486 A CB 0.358 19.418 19.000 0.100 0.000 1.096 486 A HN 0.658 nan 8.150 nan 0.000 0.495 487 P HA -0.142 nan 4.420 nan 0.000 0.216 487 P C 0.038 177.511 177.300 0.289 0.000 1.154 487 P CA 1.184 64.430 63.100 0.243 0.000 0.865 487 P CB -0.052 31.798 31.700 0.250 0.000 0.789 488 I N -0.688 120.014 120.570 0.219 0.000 2.337 488 I HA 0.141 4.338 4.170 0.045 0.000 0.291 488 I C 1.528 177.738 176.117 0.155 0.000 1.046 488 I CA -0.543 60.837 61.300 0.133 0.000 1.324 488 I CB 1.337 39.380 38.000 0.073 0.000 1.409 488 I HN -0.098 nan 8.210 nan 0.000 0.494 489 A N 4.411 127.327 122.820 0.160 0.000 2.032 489 A HA -0.191 4.156 4.320 0.045 0.000 0.221 489 A C 2.078 179.768 177.584 0.175 0.000 1.165 489 A CA 2.320 54.450 52.037 0.156 0.000 0.645 489 A CB -0.801 18.279 19.000 0.134 0.000 0.807 489 A HN 0.807 nan 8.150 nan 0.000 0.453 490 T N -2.343 112.323 114.554 0.187 0.000 3.129 490 T HA 0.212 4.589 4.350 0.045 0.000 0.251 490 T C 0.386 175.190 174.700 0.174 0.000 1.117 490 T CA 0.099 62.310 62.100 0.185 0.000 1.034 490 T CB -0.075 68.892 68.868 0.164 0.000 0.968 490 T HN 0.547 nan 8.240 nan 0.000 0.526 491 E N 0.722 121.009 120.200 0.144 0.000 2.227 491 E HA 0.597 4.974 4.350 0.045 0.000 0.268 491 E C -0.717 175.878 176.600 -0.009 0.000 0.990 491 E CA -0.824 55.629 56.400 0.088 0.000 0.856 491 E CB 1.688 31.431 29.700 0.071 0.000 1.159 491 E HN 0.362 nan 8.360 nan 0.000 0.401 492 I N 3.001 123.456 120.570 -0.193 0.000 2.410 492 I HA 0.219 4.416 4.170 0.045 0.000 0.286 492 I C -2.188 173.539 176.117 -0.650 0.000 1.009 492 I CA -2.153 58.725 61.300 -0.702 0.000 1.111 492 I CB 1.799 39.093 38.000 -1.177 0.000 1.262 492 I HN 0.196 nan 8.210 nan 0.000 0.443 493 P HA 0.192 nan 4.420 nan 0.000 0.225 493 P C 0.575 177.756 177.300 -0.199 0.000 1.813 493 P CA -0.169 62.797 63.100 -0.225 0.000 1.013 493 P CB -0.294 31.345 31.700 -0.101 0.000 1.961 494 F N 1.700 121.615 119.950 -0.058 0.000 2.202 494 F HA -0.190 4.364 4.527 0.045 0.000 0.301 494 F C 2.360 178.302 175.800 0.237 0.000 1.082 494 F CA 1.091 59.076 58.000 -0.024 0.000 1.313 494 F CB -0.396 38.435 39.000 -0.282 0.000 1.024 494 F HN 0.187 nan 8.300 nan 0.000 0.495 495 E N 0.220 120.723 120.200 0.504 0.000 2.482 495 E HA -0.147 4.230 4.350 0.045 0.000 0.196 495 E C 1.109 177.805 176.600 0.161 0.000 1.047 495 E CA 0.736 57.341 56.400 0.340 0.000 0.869 495 E CB -0.473 29.307 29.700 0.134 0.000 0.836 495 E HN 0.432 nan 8.360 nan 0.000 0.520 496 Q N 0.522 120.397 119.800 0.124 0.000 2.319 496 Q HA 0.305 4.671 4.340 0.045 0.000 0.202 496 Q C 0.613 176.648 176.000 0.060 0.000 0.896 496 Q CA -0.121 55.722 55.803 0.067 0.000 0.942 496 Q CB 0.639 29.397 28.738 0.034 0.000 1.083 496 Q HN 0.368 nan 8.270 nan 0.000 0.510 497 I N 1.510 122.137 120.570 0.095 0.000 2.496 497 I HA 0.065 4.261 4.170 0.045 0.000 0.285 497 I C 0.337 176.501 176.117 0.077 0.000 1.080 497 I CA 0.325 61.672 61.300 0.079 0.000 1.404 497 I CB 0.539 38.601 38.000 0.103 0.000 1.403 497 I HN -0.291 nan 8.210 nan 0.000 0.539 498 K N 6.808 127.235 120.400 0.046 0.000 2.756 498 K HA 0.351 4.697 4.320 0.045 0.000 0.218 498 K C -2.226 174.386 176.600 0.021 0.000 1.057 498 K CA -1.387 54.921 56.287 0.035 0.000 1.056 498 K CB 1.077 33.591 32.500 0.024 0.000 1.235 498 K HN 0.317 nan 8.250 nan 0.000 0.547 499 P HA 0.000 nan 4.420 nan 0.000 0.216 499 P CA 0.000 63.107 63.100 0.011 0.000 0.800 499 P CB 0.000 31.710 31.700 0.016 0.000 0.726