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 1zlq_1_B 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 IPFEQIKPV 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 0.000 177.581 177.584 -0.004 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 3 P HA -0.049 nan 4.420 nan 0.000 0.236 3 P C 0.025 177.331 177.300 0.011 0.000 1.172 3 P CA 1.608 64.709 63.100 0.001 0.000 0.759 3 P CB -0.120 31.580 31.700 0.001 0.000 0.843 4 D N -1.704 118.705 120.400 0.015 0.000 2.538 4 D HA 0.097 4.740 4.640 0.004 0.000 0.231 4 D C -0.026 176.295 176.300 0.035 0.000 1.229 4 D CA -0.321 53.698 54.000 0.031 0.000 0.828 4 D CB -0.054 40.767 40.800 0.035 0.000 1.035 4 D HN 0.135 nan 8.370 nan 0.000 0.495 5 E N 0.743 120.949 120.200 0.011 0.000 2.222 5 E HA 0.572 4.925 4.350 0.004 0.000 0.267 5 E C -0.201 176.378 176.600 -0.035 0.000 0.884 5 E CA -0.956 55.438 56.400 -0.009 0.000 0.764 5 E CB 2.708 32.398 29.700 -0.016 0.000 1.169 5 E HN 0.293 nan 8.360 nan 0.000 0.413 6 I N -1.635 118.889 120.570 -0.077 0.000 2.892 6 I HA 0.640 4.812 4.170 0.004 0.000 0.306 6 I C -0.656 175.361 176.117 -0.166 0.000 1.078 6 I CA -0.664 60.576 61.300 -0.100 0.000 1.032 6 I CB 2.519 40.466 38.000 -0.089 0.000 1.229 6 I HN 0.182 nan 8.210 nan 0.000 0.435 7 T N 2.320 116.794 114.554 -0.134 0.000 2.841 7 T HA 0.599 4.952 4.350 0.004 0.000 0.283 7 T C -0.327 174.288 174.700 -0.142 0.000 1.000 7 T CA -0.407 61.599 62.100 -0.156 0.000 0.977 7 T CB 1.841 70.658 68.868 -0.085 0.000 0.979 7 T HN 0.890 nan 8.240 nan 0.000 0.446 8 T N 0.535 114.953 114.554 -0.226 0.000 2.626 8 T HA 0.852 5.204 4.350 0.004 0.000 0.279 8 T C -1.688 173.032 174.700 0.033 0.000 0.983 8 T CA -0.370 61.664 62.100 -0.110 0.000 1.059 8 T CB 1.277 70.032 68.868 -0.188 0.000 1.396 8 T HN 0.852 nan 8.240 nan 0.000 0.519 9 A N 0.311 123.250 122.820 0.199 0.000 2.539 9 A HA 0.752 5.074 4.320 0.004 0.000 0.296 9 A C -1.890 176.022 177.584 0.547 0.000 1.073 9 A CA -0.720 51.506 52.037 0.315 0.000 0.700 9 A CB 1.448 20.568 19.000 0.201 0.000 1.296 9 A HN 0.726 nan 8.150 nan 0.000 0.405 10 W N 1.849 123.303 121.300 0.257 0.000 3.107 10 W HA 0.426 5.089 4.660 0.004 0.000 0.331 10 W C -2.677 173.933 176.519 0.152 0.000 1.204 10 W CA -1.930 55.541 57.345 0.210 0.000 1.184 10 W CB 2.385 32.019 29.460 0.289 0.000 1.421 10 W HN 0.519 nan 8.180 nan 0.000 0.544 11 P HA -0.111 nan 4.420 nan 0.000 0.226 11 P C 0.238 177.536 177.300 -0.003 0.000 1.153 11 P CA 1.374 64.361 63.100 -0.188 0.000 0.777 11 P CB 0.218 31.725 31.700 -0.323 0.000 0.794 12 V N -5.331 114.670 119.914 0.145 0.000 3.160 12 V HA 0.479 4.602 4.120 0.004 0.000 0.310 12 V C -0.379 175.902 176.094 0.311 0.000 1.181 12 V CA -1.659 60.765 62.300 0.207 0.000 1.047 12 V CB 1.253 33.184 31.823 0.179 0.000 1.068 12 V HN -0.283 nan 8.190 nan 0.000 0.441 13 N N 0.143 118.947 118.700 0.174 0.000 2.381 13 N HA 0.272 5.014 4.740 0.004 0.000 0.241 13 N C 1.274 176.837 175.510 0.088 0.000 1.279 13 N CA 0.411 53.531 53.050 0.117 0.000 0.896 13 N CB 1.250 39.754 38.487 0.028 0.000 1.118 13 N HN 0.900 nan 8.380 nan 0.000 0.438 14 V N -1.022 118.877 119.914 -0.026 0.000 2.913 14 V HA 0.207 4.330 4.120 0.004 0.000 0.260 14 V C 1.049 177.059 176.094 -0.140 0.000 1.098 14 V CA 0.952 63.144 62.300 -0.181 0.000 1.121 14 V CB -1.706 29.950 31.823 -0.279 0.000 0.714 14 V HN 0.914 nan 8.190 nan 0.000 0.487 15 G N 0.542 109.293 108.800 -0.081 0.000 2.631 15 G HA2 -0.114 3.848 3.960 0.004 0.000 0.504 15 G HA3 -0.114 3.848 3.960 0.004 0.000 0.504 15 G C -1.394 173.458 174.900 -0.079 0.000 1.306 15 G CA -0.150 44.908 45.100 -0.071 0.000 0.897 15 G HN 0.344 nan 8.290 nan 0.000 0.520 16 P HA 0.084 nan 4.420 nan 0.000 0.230 16 P C 1.174 178.451 177.300 -0.040 0.000 1.158 16 P CA 1.219 64.284 63.100 -0.058 0.000 0.769 16 P CB -0.059 31.611 31.700 -0.051 0.000 0.807 17 L N -1.510 119.691 121.223 -0.038 0.000 3.548 17 L HA -0.169 4.173 4.340 0.004 0.000 0.443 17 L C 0.275 177.188 176.870 0.071 0.000 1.286 17 L CA -0.195 54.670 54.840 0.042 0.000 0.863 17 L CB -2.498 39.608 42.059 0.077 0.000 1.734 17 L HN 0.212 nan 8.230 nan 0.000 0.873 18 N N 2.524 121.179 118.700 -0.075 0.000 2.431 18 N HA 0.141 4.883 4.740 0.004 0.000 0.265 18 N C -0.890 174.399 175.510 -0.368 0.000 1.184 18 N CA -1.419 51.506 53.050 -0.207 0.000 0.943 18 N CB 1.214 39.594 38.487 -0.179 0.000 1.080 18 N HN 0.110 nan 8.380 nan 0.000 0.477 19 P HA -0.084 nan 4.420 nan 0.000 0.226 19 P C -0.020 176.954 177.300 -0.542 0.000 1.153 19 P CA 1.414 63.973 63.100 -0.903 0.000 0.777 19 P CB 0.096 30.877 31.700 -1.532 0.000 0.794 20 H N -2.070 116.740 119.070 -0.433 0.000 2.652 20 H HA 0.326 4.884 4.556 0.004 0.000 0.274 20 H C 0.923 176.061 175.328 -0.315 0.000 1.021 20 H CA -0.577 55.231 56.048 -0.400 0.000 1.187 20 H CB 0.373 29.939 29.762 -0.327 0.000 1.505 20 H HN 0.072 nan 8.280 nan 0.000 0.530 21 L N -0.536 120.523 121.223 -0.274 0.000 2.235 21 L HA 0.355 4.698 4.340 0.004 0.000 0.260 21 L C -0.507 176.073 176.870 -0.484 0.000 1.025 21 L CA -1.070 53.613 54.840 -0.262 0.000 0.836 21 L CB 1.288 43.294 42.059 -0.090 0.000 1.395 21 L HN 0.070 nan 8.230 nan 0.000 0.443 22 Y N -1.099 119.170 120.300 -0.052 0.000 3.288 22 Y HA 0.215 4.768 4.550 0.004 0.000 0.346 22 Y C 0.912 176.749 175.900 -0.105 0.000 1.333 22 Y CA -0.228 57.816 58.100 -0.093 0.000 0.853 22 Y CB -0.132 38.257 38.460 -0.117 0.000 1.155 22 Y HN 0.392 nan 8.280 nan 0.000 0.862 23 T N 3.839 118.434 114.554 0.067 0.000 2.933 23 T HA 0.019 4.372 4.350 0.004 0.000 0.306 23 T C -1.621 173.069 174.700 -0.017 0.000 1.045 23 T CA -0.884 61.205 62.100 -0.019 0.000 1.143 23 T CB 0.180 69.002 68.868 -0.077 0.000 1.003 23 T HN 0.360 nan 8.240 nan 0.000 0.540 24 P HA 0.119 nan 4.420 nan 0.000 0.257 24 P C -0.192 177.089 177.300 -0.033 0.000 1.281 24 P CA -0.227 62.860 63.100 -0.023 0.000 0.826 24 P CB 0.151 31.841 31.700 -0.017 0.000 1.237 25 N N 2.016 120.680 118.700 -0.060 0.000 2.454 25 N HA 0.035 4.777 4.740 0.004 0.000 0.260 25 N C 0.254 175.696 175.510 -0.114 0.000 1.218 25 N CA 0.375 53.363 53.050 -0.103 0.000 0.904 25 N CB 0.613 39.023 38.487 -0.129 0.000 1.065 25 N HN 0.185 nan 8.380 nan 0.000 0.462 26 Q N 2.513 122.196 119.800 -0.196 0.000 2.274 26 Q HA 0.217 4.560 4.340 0.004 0.000 0.256 26 Q C 1.230 177.010 176.000 -0.367 0.000 0.927 26 Q CA -0.223 55.435 55.803 -0.242 0.000 0.939 26 Q CB 1.620 30.127 28.738 -0.386 0.000 1.201 26 Q HN 0.561 nan 8.270 nan 0.000 0.426 27 M N 1.621 121.115 119.600 -0.177 0.000 2.108 27 M HA -0.186 4.297 4.480 0.004 0.000 0.261 27 M C 1.650 177.841 176.300 -0.181 0.000 1.066 27 M CA 1.834 57.054 55.300 -0.133 0.000 1.107 27 M CB -0.509 32.078 32.600 -0.023 0.000 1.356 27 M HN 0.654 nan 8.290 nan 0.000 0.406 28 F N 0.350 120.178 119.950 -0.204 0.000 2.216 28 F HA 0.012 4.543 4.527 0.006 0.000 0.300 28 F C 2.228 177.864 175.800 -0.273 0.000 1.085 28 F CA 1.006 58.859 58.000 -0.246 0.000 1.326 28 F CB -0.994 37.780 39.000 -0.376 0.000 1.027 28 F HN 0.001 nan 8.300 nan 0.000 0.497 29 A N 0.462 122.417 122.820 -1.442 0.000 1.930 29 A HA -0.084 4.238 4.320 0.004 0.000 0.215 29 A C 2.229 179.578 177.584 -0.391 0.000 1.176 29 A CA 1.122 52.528 52.037 -1.053 0.000 0.632 29 A CB -0.815 17.502 19.000 -1.139 0.000 0.819 29 A HN 0.557 nan 8.150 nan 0.000 0.445 30 Q N -0.087 119.555 119.800 -0.263 0.000 2.096 30 Q HA -0.140 4.203 4.340 0.004 0.000 0.204 30 Q C 2.280 178.323 176.000 0.073 0.000 0.982 30 Q CA 1.859 57.678 55.803 0.028 0.000 0.850 30 Q CB -0.230 28.514 28.738 0.010 0.000 0.901 30 Q HN 0.596 nan 8.270 nan 0.000 0.422 31 S N 0.183 115.874 115.700 -0.015 0.000 2.447 31 S HA -0.051 4.422 4.470 0.004 0.000 0.233 31 S C 1.754 176.391 174.600 0.061 0.000 1.006 31 S CA 0.828 59.053 58.200 0.042 0.000 0.957 31 S CB -0.037 63.182 63.200 0.032 0.000 0.773 31 S HN 0.320 nan 8.310 nan 0.000 0.507 32 M N 0.075 119.675 119.600 0.000 0.000 2.254 32 M HA -0.018 4.465 4.480 0.004 0.000 0.265 32 M C 1.729 178.109 176.300 0.133 0.000 1.066 32 M CA 1.097 56.463 55.300 0.111 0.000 1.123 32 M CB -0.107 32.379 32.600 -0.190 0.000 1.388 32 M HN 0.164 nan 8.290 nan 0.000 0.425 33 V N -1.971 117.918 119.914 -0.043 0.000 2.922 33 V HA 0.001 4.123 4.120 0.004 0.000 0.242 33 V C 0.212 176.124 176.094 -0.303 0.000 1.094 33 V CA 0.612 62.769 62.300 -0.238 0.000 1.106 33 V CB -0.090 31.411 31.823 -0.537 0.000 0.799 33 V HN 0.209 nan 8.190 nan 0.000 0.474 34 Y N 0.117 120.500 120.300 0.137 0.000 2.446 34 Y HA 0.637 5.190 4.550 0.004 0.000 0.338 34 Y C 0.228 176.234 175.900 0.177 0.000 1.055 34 Y CA -0.788 57.405 58.100 0.154 0.000 1.101 34 Y CB 1.406 39.905 38.460 0.064 0.000 1.221 34 Y HN 0.091 nan 8.280 nan 0.000 0.460 35 E N 3.482 123.935 120.200 0.421 0.000 2.312 35 E HA 0.405 4.757 4.350 0.004 0.000 0.267 35 E C -2.800 174.040 176.600 0.401 0.000 0.894 35 E CA -2.313 54.338 56.400 0.418 0.000 0.773 35 E CB 2.690 32.744 29.700 0.589 0.000 1.241 35 E HN 0.254 nan 8.360 nan 0.000 0.432 36 P HA 0.228 nan 4.420 nan 0.000 0.283 36 P C 0.524 178.075 177.300 0.417 0.000 1.278 36 P CA -0.488 62.794 63.100 0.303 0.000 0.834 36 P CB 1.340 33.111 31.700 0.119 0.000 1.150 37 L N -0.152 121.279 121.223 0.347 0.000 2.083 37 L HA -0.028 4.314 4.340 0.004 0.000 0.209 37 L C 1.209 178.198 176.870 0.198 0.000 1.083 37 L CA 1.477 56.431 54.840 0.191 0.000 0.752 37 L CB -0.498 41.502 42.059 -0.098 0.000 0.899 37 L HN 0.279 nan 8.230 nan 0.000 0.433 38 V N -3.437 116.552 119.914 0.125 0.000 2.925 38 V HA 0.483 4.606 4.120 0.004 0.000 0.311 38 V C -0.742 175.417 176.094 0.110 0.000 1.104 38 V CA -1.087 61.303 62.300 0.150 0.000 0.954 38 V CB 2.216 33.977 31.823 -0.105 0.000 1.022 38 V HN 0.045 nan 8.190 nan 0.000 0.427 39 K N 2.630 123.099 120.400 0.115 0.000 2.292 39 K HA 0.487 4.810 4.320 0.004 0.000 0.257 39 K C -1.421 175.185 176.600 0.010 0.000 0.940 39 K CA -0.796 55.430 56.287 -0.101 0.000 0.811 39 K CB 1.648 33.850 32.500 -0.497 0.000 1.120 39 K HN 0.864 nan 8.250 nan 0.000 0.428 40 Y N 3.350 123.586 120.300 -0.107 0.000 2.425 40 Y HA 0.046 4.598 4.550 0.004 0.000 0.331 40 Y C -0.409 175.468 175.900 -0.039 0.000 1.157 40 Y CA 0.530 58.596 58.100 -0.056 0.000 1.372 40 Y CB 0.779 39.203 38.460 -0.061 0.000 1.253 40 Y HN 0.512 nan 8.280 nan 0.000 0.536 41 Q N 4.038 123.403 119.800 -0.725 0.000 2.348 41 Q HA 0.480 4.823 4.340 0.004 0.000 0.271 41 Q C 0.736 176.299 176.000 -0.729 0.000 1.067 41 Q CA -0.087 55.412 55.803 -0.506 0.000 0.839 41 Q CB 1.868 30.450 28.738 -0.260 0.000 1.354 41 Q HN 0.883 nan 8.270 nan 0.000 0.447 42 A N 1.727 124.358 122.820 -0.316 0.000 1.986 42 A HA -0.225 4.098 4.320 0.004 0.000 0.220 42 A C 1.192 178.681 177.584 -0.159 0.000 1.171 42 A CA 2.278 54.214 52.037 -0.168 0.000 0.640 42 A CB -0.444 18.531 19.000 -0.041 0.000 0.811 42 A HN 0.790 nan 8.150 nan 0.000 0.451 43 D N -2.029 118.267 120.400 -0.172 0.000 2.363 43 D HA 0.228 4.870 4.640 0.004 0.000 0.226 43 D C 1.192 177.430 176.300 -0.103 0.000 1.020 43 D CA 1.092 55.030 54.000 -0.103 0.000 0.892 43 D CB -0.649 40.111 40.800 -0.066 0.000 0.900 43 D HN 0.875 nan 8.370 nan 0.000 0.531 44 G N -0.054 108.607 108.800 -0.231 0.000 2.175 44 G HA2 -0.281 3.681 3.960 0.004 0.000 0.244 44 G HA3 -0.281 3.681 3.960 0.004 0.000 0.244 44 G C 0.445 175.328 174.900 -0.029 0.000 0.982 44 G CA 0.474 45.541 45.100 -0.056 0.000 0.641 44 G HN 0.825 nan 8.290 nan 0.000 0.527 45 S N -0.679 114.948 115.700 -0.122 0.000 2.686 45 S HA 0.825 5.298 4.470 0.004 0.000 0.270 45 S C 0.397 174.984 174.600 -0.021 0.000 1.194 45 S CA 0.069 58.266 58.200 -0.006 0.000 0.990 45 S CB 2.105 65.319 63.200 0.023 0.000 1.029 45 S HN 1.858 nan 8.310 nan 0.000 0.560 46 V N -0.953 119.026 119.914 0.108 0.000 2.864 46 V HA 0.815 4.938 4.120 0.004 0.000 0.314 46 V C -0.308 175.928 176.094 0.237 0.000 1.073 46 V CA -1.223 61.163 62.300 0.144 0.000 0.956 46 V CB 0.920 32.832 31.823 0.150 0.000 1.023 46 V HN 1.091 nan 8.190 nan 0.000 0.435 47 I N -0.173 120.549 120.570 0.253 0.000 2.750 47 I HA 0.793 4.966 4.170 0.004 0.000 0.308 47 I C -2.658 173.775 176.117 0.527 0.000 1.016 47 I CA -2.836 58.676 61.300 0.352 0.000 1.098 47 I CB 1.809 39.982 38.000 0.288 0.000 1.279 47 I HN 0.369 nan 8.210 nan 0.000 0.454 48 P HA -0.007 nan 4.420 nan 0.000 0.266 48 P C -0.943 176.740 177.300 0.637 0.000 1.195 48 P CA 0.174 63.676 63.100 0.671 0.000 0.768 48 P CB 0.534 32.479 31.700 0.408 0.000 0.838 49 W N 2.912 124.378 121.300 0.276 0.000 4.477 49 W HA 0.164 4.827 4.660 0.005 0.000 0.616 49 W C 1.474 177.984 176.519 -0.014 0.000 3.466 49 W CA -0.072 57.401 57.345 0.212 0.000 1.137 49 W CB -0.397 29.206 29.460 0.239 0.000 2.122 49 W HN 0.019 nan 8.180 nan 0.000 0.351 50 L N 1.797 123.032 121.223 0.020 0.000 2.131 50 L HA -0.049 4.293 4.340 0.004 0.000 0.210 50 L C 1.220 178.060 176.870 -0.050 0.000 1.092 50 L CA 1.004 55.654 54.840 -0.316 0.000 0.759 50 L CB -1.012 40.797 42.059 -0.416 0.000 0.903 50 L HN 0.037 nan 8.230 nan 0.000 0.435 51 A N -0.081 122.835 122.820 0.160 0.000 2.302 51 A HA 0.122 4.444 4.320 0.004 0.000 0.295 51 A C 1.199 179.004 177.584 0.368 0.000 1.235 51 A CA -0.289 51.941 52.037 0.322 0.000 0.876 51 A CB 0.584 19.891 19.000 0.511 0.000 1.133 51 A HN 0.132 nan 8.150 nan 0.000 0.533 52 K N 1.327 121.864 120.400 0.228 0.000 2.155 52 K HA -0.018 4.305 4.320 0.004 0.000 0.203 52 K C 0.472 177.169 176.600 0.163 0.000 1.052 52 K CA 1.475 57.847 56.287 0.141 0.000 0.948 52 K CB -0.008 32.511 32.500 0.032 0.000 0.728 52 K HN 0.899 nan 8.250 nan 0.000 0.448 53 S N -1.684 114.159 115.700 0.238 0.000 2.588 53 S HA 0.539 5.012 4.470 0.004 0.000 0.269 53 S C -1.737 173.062 174.600 0.332 0.000 1.157 53 S CA -1.174 57.045 58.200 0.033 0.000 0.824 53 S CB 0.798 63.946 63.200 -0.088 0.000 1.126 53 S HN 0.361 nan 8.310 nan 0.000 0.464 54 W N -0.096 121.242 121.300 0.063 0.000 3.118 54 W HA 0.802 5.464 4.660 0.004 0.000 0.328 54 W C -0.864 175.596 176.519 -0.098 0.000 1.239 54 W CA -0.524 56.772 57.345 -0.082 0.000 1.176 54 W CB 0.681 29.946 29.460 -0.325 0.000 1.433 54 W HN 0.981 nan 8.180 nan 0.000 0.562 55 T N -1.202 113.368 114.554 0.026 0.000 2.901 55 T HA 0.790 5.142 4.350 0.004 0.000 0.293 55 T C -1.143 173.417 174.700 -0.234 0.000 1.084 55 T CA -0.751 61.268 62.100 -0.136 0.000 1.008 55 T CB 2.041 70.808 68.868 -0.168 0.000 1.170 55 T HN 1.048 nan 8.240 nan 0.000 0.509 56 H N -1.519 117.248 119.070 -0.505 0.000 2.985 56 H HA 0.746 5.305 4.556 0.004 0.000 0.360 56 H C -0.286 174.769 175.328 -0.454 0.000 1.221 56 H CA -0.815 54.776 56.048 -0.762 0.000 1.121 56 H CB 0.900 29.576 29.762 -1.809 0.000 1.854 56 H HN 0.789 nan 8.280 nan 0.000 0.551 57 S N 0.109 115.650 115.700 -0.267 0.000 2.579 57 S HA 0.025 4.498 4.470 0.004 0.000 0.275 57 S C 0.548 175.077 174.600 -0.118 0.000 1.345 57 S CA -0.455 57.641 58.200 -0.173 0.000 1.031 57 S CB 0.883 64.032 63.200 -0.085 0.000 0.892 57 S HN 0.838 nan 8.310 nan 0.000 0.529 58 E N 0.288 120.416 120.200 -0.120 0.000 2.512 58 E HA -0.008 4.344 4.350 0.004 0.000 0.195 58 E C -0.002 176.589 176.600 -0.014 0.000 1.083 58 E CA 0.355 56.712 56.400 -0.071 0.000 0.873 58 E CB -0.071 29.581 29.700 -0.080 0.000 0.897 58 E HN 0.698 nan 8.360 nan 0.000 0.514 59 D N -1.186 119.209 120.400 -0.009 0.000 2.354 59 D HA 0.086 4.729 4.640 0.004 0.000 0.209 59 D C 1.294 177.592 176.300 -0.003 0.000 1.015 59 D CA 0.639 54.628 54.000 -0.019 0.000 0.867 59 D CB 0.180 40.973 40.800 -0.012 0.000 0.933 59 D HN 0.160 nan 8.370 nan 0.000 0.520 60 G N 0.953 109.791 108.800 0.063 0.000 2.168 60 G HA2 -0.399 3.564 3.960 0.004 0.000 0.257 60 G HA3 -0.399 3.564 3.960 0.004 0.000 0.257 60 G C 1.026 176.030 174.900 0.174 0.000 0.997 60 G CA 0.681 45.800 45.100 0.032 0.000 0.708 60 G HN 0.383 nan 8.290 nan 0.000 0.520 61 K N -0.715 119.747 120.400 0.103 0.000 2.334 61 K HA 0.145 4.468 4.320 0.004 0.000 0.195 61 K C 1.129 177.815 176.600 0.143 0.000 1.045 61 K CA 1.055 57.408 56.287 0.112 0.000 1.004 61 K CB 0.595 33.126 32.500 0.052 0.000 0.837 61 K HN 0.467 nan 8.250 nan 0.000 0.510 62 T N -0.844 113.778 114.554 0.113 0.000 2.848 62 T HA 0.455 4.808 4.350 0.004 0.000 0.285 62 T C -1.902 172.845 174.700 0.078 0.000 0.995 62 T CA -0.741 61.440 62.100 0.135 0.000 0.970 62 T CB 0.712 69.614 68.868 0.056 0.000 0.976 62 T HN 0.062 nan 8.240 nan 0.000 0.441 63 W N 2.500 123.806 121.300 0.010 0.000 2.739 63 W HA 0.556 5.219 4.660 0.004 0.000 0.331 63 W C -0.420 176.097 176.519 -0.003 0.000 1.049 63 W CA -0.580 56.767 57.345 0.004 0.000 1.234 63 W CB 2.282 31.779 29.460 0.062 0.000 1.404 63 W HN 0.594 nan 8.180 nan 0.000 0.477 64 T N 4.100 118.707 114.554 0.089 0.000 2.809 64 T HA 0.463 4.816 4.350 0.004 0.000 0.296 64 T C -0.893 173.853 174.700 0.077 0.000 1.015 64 T CA -0.494 61.678 62.100 0.120 0.000 0.954 64 T CB 0.128 69.035 68.868 0.065 0.000 0.950 64 T HN -0.019 nan 8.240 nan 0.000 0.450 65 F N 1.905 122.020 119.950 0.275 0.000 2.404 65 F HA 0.365 4.895 4.527 0.004 0.000 0.345 65 F C 1.237 177.155 175.800 0.196 0.000 1.110 65 F CA -0.752 57.434 58.000 0.310 0.000 1.130 65 F CB 1.131 40.283 39.000 0.254 0.000 1.129 65 F HN 0.315 nan 8.300 nan 0.000 0.500 66 T N 5.436 120.192 114.554 0.336 0.000 2.733 66 T HA 0.417 4.770 4.350 0.004 0.000 0.294 66 T C 0.176 174.996 174.700 0.200 0.000 0.956 66 T CA -0.545 61.671 62.100 0.194 0.000 0.987 66 T CB 0.157 69.092 68.868 0.111 0.000 0.920 66 T HN 0.286 nan 8.240 nan 0.000 0.470 67 L N 3.226 124.525 121.223 0.127 0.000 2.436 67 L HA 0.405 4.748 4.340 0.004 0.000 0.265 67 L C 1.256 178.135 176.870 0.015 0.000 1.168 67 L CA -0.917 53.978 54.840 0.093 0.000 0.815 67 L CB 0.477 42.546 42.059 0.016 0.000 1.109 67 L HN 0.448 nan 8.230 nan 0.000 0.462 68 R N 1.061 121.532 120.500 -0.048 0.000 2.698 68 R HA -0.039 4.304 4.340 0.004 0.000 0.266 68 R C 0.128 176.362 176.300 -0.111 0.000 1.026 68 R CA -0.025 55.982 56.100 -0.155 0.000 1.102 68 R CB 0.338 30.392 30.300 -0.409 0.000 0.978 68 R HN 0.663 nan 8.270 nan 0.000 0.436 69 D N -0.391 119.946 120.400 -0.105 0.000 2.369 69 D HA -0.076 4.567 4.640 0.004 0.000 0.211 69 D C 0.663 176.914 176.300 -0.082 0.000 1.077 69 D CA 0.050 54.003 54.000 -0.079 0.000 0.842 69 D CB 0.062 40.828 40.800 -0.057 0.000 0.947 69 D HN 0.407 nan 8.370 nan 0.000 0.509 70 D N 0.346 120.671 120.400 -0.124 0.000 2.219 70 D HA -0.057 4.586 4.640 0.004 0.000 0.205 70 D C -0.051 176.189 176.300 -0.100 0.000 0.970 70 D CA 0.577 54.510 54.000 -0.112 0.000 0.851 70 D CB 0.597 41.291 40.800 -0.176 0.000 0.943 70 D HN 0.029 nan 8.370 nan 0.000 0.488 71 V N 2.422 122.243 119.914 -0.155 0.000 2.394 71 V HA 0.219 4.341 4.120 0.004 0.000 0.282 71 V C 0.131 176.177 176.094 -0.080 0.000 1.031 71 V CA -0.542 61.642 62.300 -0.194 0.000 0.881 71 V CB 1.844 33.363 31.823 -0.508 0.000 0.982 71 V HN -0.110 nan 8.190 nan 0.000 0.451 72 K N 3.841 124.224 120.400 -0.029 0.000 2.259 72 K HA 0.570 4.892 4.320 0.004 0.000 0.252 72 K C -0.571 176.036 176.600 0.012 0.000 0.936 72 K CA -0.622 55.676 56.287 0.019 0.000 0.810 72 K CB 1.960 34.511 32.500 0.085 0.000 1.143 72 K HN 0.373 nan 8.250 nan 0.000 0.427 73 F N 0.780 120.830 119.950 0.167 0.000 2.535 73 F HA -0.139 4.390 4.527 0.004 0.000 0.332 73 F C 2.193 178.071 175.800 0.130 0.000 1.208 73 F CA 0.523 58.622 58.000 0.165 0.000 1.330 73 F CB 0.370 39.467 39.000 0.162 0.000 1.167 73 F HN 0.644 nan 8.300 nan 0.000 0.597 74 S N 0.314 116.208 115.700 0.323 0.000 2.442 74 S HA -0.218 4.255 4.470 0.004 0.000 0.236 74 S C 1.293 175.987 174.600 0.157 0.000 1.007 74 S CA 1.120 59.436 58.200 0.194 0.000 0.965 74 S CB -0.713 62.576 63.200 0.147 0.000 0.773 74 S HN 0.768 nan 8.310 nan 0.000 0.504 75 N N 1.136 119.940 118.700 0.174 0.000 2.398 75 N HA 0.236 4.979 4.740 0.004 0.000 0.188 75 N C 1.271 176.853 175.510 0.119 0.000 1.122 75 N CA 0.743 53.863 53.050 0.118 0.000 0.866 75 N CB -0.458 38.079 38.487 0.083 0.000 0.970 75 N HN 0.624 nan 8.380 nan 0.000 0.462 76 G N -0.524 108.369 108.800 0.155 0.000 2.213 76 G HA2 -0.281 3.681 3.960 0.004 0.000 0.236 76 G HA3 -0.281 3.681 3.960 0.004 0.000 0.236 76 G C -0.337 174.656 174.900 0.155 0.000 0.991 76 G CA 0.028 45.206 45.100 0.130 0.000 0.629 76 G HN 0.487 nan 8.290 nan 0.000 0.517 77 E N 2.500 122.828 120.200 0.214 0.000 2.398 77 E HA 0.353 4.706 4.350 0.004 0.000 0.263 77 E C -2.076 174.735 176.600 0.351 0.000 1.046 77 E CA -1.217 55.328 56.400 0.242 0.000 0.908 77 E CB 0.912 30.729 29.700 0.194 0.000 0.963 77 E HN 0.246 nan 8.360 nan 0.000 0.431 78 P HA -0.042 nan 4.420 nan 0.000 0.276 78 P C -0.926 176.511 177.300 0.228 0.000 1.230 78 P CA 0.006 63.204 63.100 0.164 0.000 0.776 78 P CB 0.297 32.042 31.700 0.074 0.000 0.888 79 F N 4.966 124.815 119.950 -0.168 0.000 2.413 79 F HA 0.258 4.788 4.527 0.005 0.000 0.359 79 F C -0.116 175.591 175.800 -0.155 0.000 1.122 79 F CA -0.012 57.807 58.000 -0.302 0.000 1.160 79 F CB 0.067 38.674 39.000 -0.654 0.000 1.146 79 F HN 0.278 nan 8.300 nan 0.000 0.514 80 D N 3.652 123.654 120.400 -0.663 0.000 2.614 80 D HA 0.501 5.143 4.640 0.004 0.000 0.264 80 D C 0.505 176.421 176.300 -0.640 0.000 1.092 80 D CA -0.344 53.320 54.000 -0.559 0.000 1.071 80 D CB 0.846 41.510 40.800 -0.227 0.000 1.443 80 D HN 0.421 nan 8.370 nan 0.000 0.528 81 A N -0.449 122.152 122.820 -0.364 0.000 1.933 81 A HA -0.178 4.145 4.320 0.004 0.000 0.218 81 A C 1.905 179.409 177.584 -0.134 0.000 1.175 81 A CA 2.103 53.997 52.037 -0.237 0.000 0.628 81 A CB -0.967 17.969 19.000 -0.107 0.000 0.814 81 A HN 0.630 nan 8.150 nan 0.000 0.444 82 E N 0.411 120.551 120.200 -0.101 0.000 2.077 82 E HA -0.082 4.270 4.350 0.004 0.000 0.193 82 E C 2.037 178.640 176.600 0.005 0.000 0.989 82 E CA 1.643 58.028 56.400 -0.026 0.000 0.800 82 E CB -0.519 29.169 29.700 -0.020 0.000 0.746 82 E HN 0.465 nan 8.360 nan 0.000 0.452 83 A N 0.789 123.585 122.820 -0.040 0.000 1.902 83 A HA -0.075 4.247 4.320 0.004 0.000 0.217 83 A C 2.457 180.155 177.584 0.191 0.000 1.181 83 A CA 2.272 54.352 52.037 0.071 0.000 0.623 83 A CB -1.093 18.020 19.000 0.188 0.000 0.818 83 A HN 0.387 nan 8.150 nan 0.000 0.443 84 A N -0.127 122.694 122.820 0.002 0.000 1.877 84 A HA 0.138 4.460 4.320 0.004 0.000 0.216 84 A C 2.520 180.433 177.584 0.548 0.000 1.186 84 A CA 2.207 54.365 52.037 0.202 0.000 0.620 84 A CB -1.082 17.828 19.000 -0.149 0.000 0.822 84 A HN 1.120 nan 8.150 nan 0.000 0.443 85 A N -0.757 122.261 122.820 0.329 0.000 1.972 85 A HA -0.145 4.177 4.320 0.004 0.000 0.219 85 A C 1.962 179.770 177.584 0.373 0.000 1.169 85 A CA 1.693 53.932 52.037 0.337 0.000 0.635 85 A CB -0.382 18.717 19.000 0.165 0.000 0.810 85 A HN 0.467 nan 8.150 nan 0.000 0.446 86 E N 0.285 120.689 120.200 0.340 0.000 2.106 86 E HA -0.120 4.233 4.350 0.004 0.000 0.192 86 E C 1.727 178.670 176.600 0.571 0.000 0.984 86 E CA 0.684 57.326 56.400 0.403 0.000 0.806 86 E CB -0.399 29.465 29.700 0.274 0.000 0.750 86 E HN 0.640 nan 8.360 nan 0.000 0.458 87 N N 0.027 119.083 118.700 0.593 0.000 2.084 87 N HA -0.118 4.625 4.740 0.004 0.000 0.190 87 N C 1.894 177.445 175.510 0.069 0.000 1.030 87 N CA 0.857 54.180 53.050 0.454 0.000 0.849 87 N CB -0.284 38.532 38.487 0.549 0.000 1.012 87 N HN 0.105 nan 8.380 nan 0.000 0.423 88 F N 1.684 121.771 119.950 0.230 0.000 2.126 88 F HA -0.099 4.431 4.527 0.004 0.000 0.299 88 F C 2.722 178.573 175.800 0.086 0.000 1.096 88 F CA 1.022 59.109 58.000 0.144 0.000 1.255 88 F CB -0.305 38.791 39.000 0.160 0.000 0.997 88 F HN -0.005 nan 8.300 nan 0.000 0.479 89 R N 0.582 121.257 120.500 0.292 0.000 2.083 89 R HA -0.188 4.155 4.340 0.004 0.000 0.237 89 R C 2.362 178.715 176.300 0.089 0.000 1.137 89 R CA 1.460 57.672 56.100 0.188 0.000 0.951 89 R CB -0.578 29.843 30.300 0.203 0.000 0.851 89 R HN 0.266 nan 8.270 nan 0.000 0.434 90 A N 0.358 123.194 122.820 0.027 0.000 1.883 90 A HA -0.123 4.200 4.320 0.004 0.000 0.217 90 A C 2.308 179.791 177.584 -0.168 0.000 1.186 90 A CA 1.741 53.694 52.037 -0.141 0.000 0.624 90 A CB -0.667 18.095 19.000 -0.396 0.000 0.822 90 A HN 0.243 nan 8.150 nan 0.000 0.444 91 V N 0.068 119.794 119.914 -0.313 0.000 2.255 91 V HA -0.261 3.862 4.120 0.004 0.000 0.247 91 V C 2.438 178.529 176.094 -0.005 0.000 1.051 91 V CA 2.102 64.213 62.300 -0.316 0.000 1.018 91 V CB -0.739 30.730 31.823 -0.590 0.000 0.641 91 V HN 0.576 nan 8.190 nan 0.000 0.445 92 L N -0.263 120.997 121.223 0.060 0.000 2.478 92 L HA -0.028 4.315 4.340 0.004 0.000 0.223 92 L C 1.843 178.763 176.870 0.084 0.000 1.140 92 L CA 0.520 55.434 54.840 0.123 0.000 0.842 92 L CB -0.572 41.581 42.059 0.155 0.000 0.953 92 L HN 0.308 nan 8.230 nan 0.000 0.452 93 D N 0.087 120.518 120.400 0.053 0.000 2.350 93 D HA -0.132 4.510 4.640 0.004 0.000 0.216 93 D C 1.100 177.415 176.300 0.025 0.000 0.968 93 D CA 0.957 54.978 54.000 0.035 0.000 0.894 93 D CB -0.084 40.727 40.800 0.019 0.000 0.909 93 D HN 0.153 nan 8.370 nan 0.000 0.520 94 N N 0.102 118.826 118.700 0.040 0.000 2.480 94 N HA 0.073 4.816 4.740 0.004 0.000 0.281 94 N C 1.041 176.555 175.510 0.005 0.000 1.381 94 N CA -0.206 52.847 53.050 0.005 0.000 0.903 94 N CB 0.153 38.635 38.487 -0.008 0.000 1.274 94 N HN -0.092 nan 8.380 nan 0.000 0.505 95 R N -0.272 120.266 120.500 0.063 0.000 2.103 95 R HA -0.125 4.218 4.340 0.004 0.000 0.242 95 R C 1.147 177.462 176.300 0.026 0.000 1.142 95 R CA 1.494 57.656 56.100 0.102 0.000 0.960 95 R CB 0.214 30.560 30.300 0.077 0.000 0.858 95 R HN 0.307 nan 8.270 nan 0.000 0.439 96 Q N 0.050 119.838 119.800 -0.018 0.000 2.226 96 Q HA -0.174 4.169 4.340 0.004 0.000 0.204 96 Q C 1.950 177.911 176.000 -0.064 0.000 0.975 96 Q CA 1.145 56.930 55.803 -0.030 0.000 0.866 96 Q CB -0.187 28.536 28.738 -0.024 0.000 0.915 96 Q HN 0.149 nan 8.270 nan 0.000 0.440 97 R N 0.237 120.637 120.500 -0.167 0.000 2.148 97 R HA -0.100 4.243 4.340 0.004 0.000 0.227 97 R C 0.959 177.125 176.300 -0.223 0.000 1.103 97 R CA 1.259 57.215 56.100 -0.241 0.000 0.983 97 R CB -0.143 29.946 30.300 -0.351 0.000 0.874 97 R HN 0.301 nan 8.270 nan 0.000 0.451 98 H N -0.876 118.240 119.070 0.077 0.000 2.505 98 H HA 0.350 4.908 4.556 0.004 0.000 0.289 98 H C 1.184 176.377 175.328 -0.225 0.000 1.052 98 H CA 0.485 56.519 56.048 -0.023 0.000 1.156 98 H CB 0.375 30.081 29.762 -0.093 0.000 1.507 98 H HN 0.283 nan 8.280 nan 0.000 0.548 99 A N 1.990 124.814 122.820 0.008 0.000 1.978 99 A HA -0.158 4.165 4.320 0.004 0.000 0.220 99 A C 2.197 179.777 177.584 -0.008 0.000 1.170 99 A CA 1.121 53.154 52.037 -0.007 0.000 0.636 99 A CB -0.981 18.038 19.000 0.031 0.000 0.810 99 A HN 0.715 nan 8.150 nan 0.000 0.448 100 W N -1.033 120.258 121.300 -0.015 0.000 2.341 100 W HA 0.011 4.674 4.660 0.005 0.000 0.283 100 W C 0.196 176.784 176.519 0.114 0.000 1.215 100 W CA 0.478 57.830 57.345 0.012 0.000 1.211 100 W CB -0.824 28.601 29.460 -0.059 0.000 1.131 100 W HN 0.265 nan 8.180 nan 0.000 0.552 101 L N 2.755 123.444 121.223 -0.890 0.000 2.264 101 L HA 0.191 4.534 4.340 0.004 0.000 0.287 101 L C 1.387 178.064 176.870 -0.322 0.000 1.039 101 L CA -0.216 54.087 54.840 -0.894 0.000 0.829 101 L CB 1.143 42.264 42.059 -1.563 0.000 1.211 101 L HN -0.137 nan 8.230 nan 0.000 0.427 102 E N 3.381 123.519 120.200 -0.104 0.000 2.209 102 E HA -0.233 4.119 4.350 0.004 0.000 0.196 102 E C 1.599 177.996 176.600 -0.338 0.000 0.993 102 E CA 1.408 57.728 56.400 -0.133 0.000 0.819 102 E CB -0.106 29.601 29.700 0.012 0.000 0.745 102 E HN 0.674 nan 8.360 nan 0.000 0.477 103 L N 0.234 121.328 121.223 -0.215 0.000 2.079 103 L HA -0.062 4.281 4.340 0.004 0.000 0.210 103 L C 2.156 178.982 176.870 -0.073 0.000 1.081 103 L CA 2.193 56.918 54.840 -0.191 0.000 0.752 103 L CB -1.083 41.032 42.059 0.093 0.000 0.896 103 L HN 0.178 nan 8.230 nan 0.000 0.433 104 A N -0.514 122.344 122.820 0.063 0.000 2.024 104 A HA -0.283 4.039 4.320 0.004 0.000 0.220 104 A C 2.157 179.759 177.584 0.029 0.000 1.164 104 A CA 1.935 54.062 52.037 0.151 0.000 0.643 104 A CB -0.949 18.120 19.000 0.115 0.000 0.806 104 A HN 0.664 nan 8.150 nan 0.000 0.451 105 N N -1.064 117.596 118.700 -0.068 0.000 2.333 105 N HA -0.092 4.651 4.740 0.004 0.000 0.178 105 N C 1.771 177.209 175.510 -0.121 0.000 1.018 105 N CA 1.090 54.091 53.050 -0.081 0.000 0.882 105 N CB -0.165 38.266 38.487 -0.094 0.000 0.984 105 N HN 0.362 nan 8.380 nan 0.000 0.434 106 Q N 0.080 119.750 119.800 -0.217 0.000 2.172 106 Q HA 0.079 4.422 4.340 0.004 0.000 0.200 106 Q C 0.192 176.085 176.000 -0.178 0.000 0.964 106 Q CA 0.397 56.046 55.803 -0.257 0.000 0.855 106 Q CB 0.174 28.623 28.738 -0.481 0.000 0.918 106 Q HN 0.497 nan 8.270 nan 0.000 0.444 107 I N 1.446 121.935 120.570 -0.137 0.000 2.505 107 I HA -0.078 4.095 4.170 0.004 0.000 0.287 107 I C 1.250 177.334 176.117 -0.056 0.000 1.104 107 I CA -0.216 61.020 61.300 -0.107 0.000 1.387 107 I CB 0.896 38.852 38.000 -0.073 0.000 1.404 107 I HN -0.161 nan 8.210 nan 0.000 0.528 108 V N 4.619 124.497 119.914 -0.061 0.000 2.581 108 V HA 0.050 4.172 4.120 0.004 0.000 0.240 108 V C 0.299 176.385 176.094 -0.013 0.000 1.054 108 V CA 1.023 63.306 62.300 -0.029 0.000 1.076 108 V CB -0.081 31.725 31.823 -0.028 0.000 0.748 108 V HN 0.826 nan 8.190 nan 0.000 0.474 109 D N -1.586 118.799 120.400 -0.026 0.000 2.859 109 D HA 0.540 5.183 4.640 0.004 0.000 0.223 109 D C -1.554 174.723 176.300 -0.038 0.000 1.218 109 D CA -0.150 53.843 54.000 -0.012 0.000 0.850 109 D CB 2.562 43.362 40.800 -0.001 0.000 1.656 109 D HN -0.092 nan 8.370 nan 0.000 0.484 110 V N 3.477 123.377 119.914 -0.022 0.000 2.525 110 V HA 0.525 4.647 4.120 0.004 0.000 0.299 110 V C -0.614 175.487 176.094 0.010 0.000 1.034 110 V CA -0.756 61.508 62.300 -0.060 0.000 0.863 110 V CB 1.710 33.444 31.823 -0.150 0.000 0.999 110 V HN 0.490 nan 8.190 nan 0.000 0.423 111 K N 3.198 123.606 120.400 0.013 0.000 2.468 111 K HA 0.794 5.116 4.320 0.004 0.000 0.252 111 K C -0.556 176.065 176.600 0.035 0.000 0.932 111 K CA -0.593 55.714 56.287 0.033 0.000 0.794 111 K CB 2.265 34.782 32.500 0.028 0.000 1.241 111 K HN 0.816 nan 8.250 nan 0.000 0.428 112 A N 5.414 128.255 122.820 0.034 0.000 2.396 112 A HA 0.245 4.568 4.320 0.004 0.000 0.279 112 A C 0.902 178.497 177.584 0.018 0.000 1.165 112 A CA -0.350 51.699 52.037 0.021 0.000 0.824 112 A CB -0.106 18.898 19.000 0.008 0.000 1.100 112 A HN 0.864 nan 8.150 nan 0.000 0.516 113 L N 2.129 123.364 121.223 0.021 0.000 2.270 113 L HA 0.041 4.383 4.340 0.004 0.000 0.210 113 L C 1.266 178.140 176.870 0.007 0.000 1.104 113 L CA 1.190 56.041 54.840 0.017 0.000 0.804 113 L CB -0.386 41.687 42.059 0.024 0.000 0.937 113 L HN 0.903 nan 8.230 nan 0.000 0.450 114 S N -2.668 113.032 115.700 -0.000 0.000 2.800 114 S HA 0.259 4.731 4.470 0.004 0.000 0.293 114 S C 0.205 174.789 174.600 -0.026 0.000 1.209 114 S CA -0.878 57.316 58.200 -0.010 0.000 0.884 114 S CB 1.606 64.801 63.200 -0.008 0.000 1.244 114 S HN -0.136 nan 8.310 nan 0.000 0.540 115 K N 0.627 121.006 120.400 -0.035 0.000 2.211 115 K HA 0.022 4.344 4.320 0.004 0.000 0.203 115 K C 1.388 177.936 176.600 -0.087 0.000 1.050 115 K CA 1.692 57.943 56.287 -0.059 0.000 0.945 115 K CB -0.296 32.173 32.500 -0.051 0.000 0.732 115 K HN 0.799 nan 8.250 nan 0.000 0.451 116 T N -2.813 111.706 114.554 -0.057 0.000 3.040 116 T HA 0.189 4.542 4.350 0.004 0.000 0.266 116 T C 0.073 174.770 174.700 -0.006 0.000 1.005 116 T CA -0.479 61.590 62.100 -0.053 0.000 0.906 116 T CB 0.354 69.202 68.868 -0.034 0.000 1.082 116 T HN -0.075 nan 8.240 nan 0.000 0.531 117 E N 1.257 121.461 120.200 0.008 0.000 2.145 117 E HA 0.542 4.894 4.350 0.004 0.000 0.270 117 E C -1.699 174.940 176.600 0.065 0.000 0.906 117 E CA -0.819 55.614 56.400 0.054 0.000 0.761 117 E CB 2.213 31.939 29.700 0.045 0.000 1.116 117 E HN 0.156 nan 8.360 nan 0.000 0.408 118 L N 3.273 124.574 121.223 0.130 0.000 2.325 118 L HA 0.248 4.591 4.340 0.004 0.000 0.281 118 L C -0.834 176.160 176.870 0.206 0.000 1.004 118 L CA -0.253 54.666 54.840 0.131 0.000 0.823 118 L CB 1.594 43.724 42.059 0.119 0.000 1.236 118 L HN 0.470 nan 8.230 nan 0.000 0.415 119 Q N 5.415 125.292 119.800 0.127 0.000 2.314 119 Q HA 0.552 4.895 4.340 0.004 0.000 0.259 119 Q C -1.449 174.607 176.000 0.094 0.000 0.951 119 Q CA -0.474 55.413 55.803 0.139 0.000 0.909 119 Q CB 1.160 29.949 28.738 0.084 0.000 1.236 119 Q HN 0.736 nan 8.270 nan 0.000 0.444 120 I N 3.633 124.302 120.570 0.166 0.000 2.362 120 I HA 0.275 4.447 4.170 0.004 0.000 0.289 120 I C 0.044 176.199 176.117 0.064 0.000 0.994 120 I CA -0.741 60.589 61.300 0.049 0.000 1.158 120 I CB 1.877 39.916 38.000 0.066 0.000 1.315 120 I HN 0.589 nan 8.210 nan 0.000 0.451 121 T N 6.215 120.763 114.554 -0.010 0.000 2.824 121 T HA 0.749 5.102 4.350 0.004 0.000 0.280 121 T C -0.650 174.000 174.700 -0.084 0.000 0.995 121 T CA -0.594 61.500 62.100 -0.011 0.000 1.009 121 T CB 1.028 69.900 68.868 0.007 0.000 0.955 121 T HN 0.390 nan 8.240 nan 0.000 0.452 122 L N 3.376 124.539 121.223 -0.100 0.000 2.333 122 L HA 0.541 4.883 4.340 0.004 0.000 0.269 122 L C 1.538 178.368 176.870 -0.065 0.000 1.010 122 L CA -1.284 53.466 54.840 -0.149 0.000 0.818 122 L CB 1.622 43.515 42.059 -0.277 0.000 1.306 122 L HN 0.677 nan 8.230 nan 0.000 0.430 123 K N 0.436 120.796 120.400 -0.067 0.000 2.160 123 K HA -0.114 4.209 4.320 0.004 0.000 0.206 123 K C 0.418 177.031 176.600 0.022 0.000 1.047 123 K CA 1.510 57.782 56.287 -0.025 0.000 0.930 123 K CB -0.001 32.475 32.500 -0.040 0.000 0.720 123 K HN 0.771 nan 8.250 nan 0.000 0.450 124 S N -2.050 113.677 115.700 0.044 0.000 2.625 124 S HA 0.555 5.028 4.470 0.004 0.000 0.271 124 S C -1.093 173.633 174.600 0.210 0.000 1.161 124 S CA -0.963 57.330 58.200 0.155 0.000 0.820 124 S CB 1.780 65.092 63.200 0.187 0.000 1.137 124 S HN 0.049 nan 8.310 nan 0.000 0.470 125 A N 1.598 124.621 122.820 0.338 0.000 2.899 125 A HA 0.374 4.696 4.320 0.004 0.000 0.287 125 A C -0.481 177.348 177.584 0.410 0.000 1.715 125 A CA -0.086 52.134 52.037 0.306 0.000 1.393 125 A CB -1.403 17.641 19.000 0.074 0.000 1.070 125 A HN 0.890 nan 8.150 nan 0.000 0.587 126 Y N 3.863 124.235 120.300 0.121 0.000 2.486 126 Y HA 0.277 4.830 4.550 0.004 0.000 0.348 126 Y C 0.982 176.954 175.900 0.120 0.000 1.000 126 Y CA -0.944 57.205 58.100 0.082 0.000 1.253 126 Y CB 0.126 38.564 38.460 -0.036 0.000 1.140 126 Y HN 0.711 nan 8.280 nan 0.000 0.526 127 Y N 6.596 126.737 120.300 -0.266 0.000 2.165 127 Y HA 0.036 4.589 4.550 0.004 0.000 0.286 127 Y C -1.229 174.484 175.900 -0.311 0.000 1.155 127 Y CA 0.715 58.697 58.100 -0.196 0.000 1.164 127 Y CB -1.700 36.694 38.460 -0.108 0.000 0.978 127 Y HN 0.438 nan 8.280 nan 0.000 0.513 128 P HA 0.059 nan 4.420 nan 0.000 0.254 128 P C 1.155 178.181 177.300 -0.457 0.000 1.494 128 P CA -0.118 62.394 63.100 -0.981 0.000 0.961 128 P CB -0.890 29.886 31.700 -1.539 0.000 1.493 129 F N 1.378 121.058 119.950 -0.450 0.000 2.043 129 F HA -0.269 4.261 4.527 0.005 0.000 0.297 129 F C 1.816 177.460 175.800 -0.260 0.000 1.118 129 F CA 1.586 59.458 58.000 -0.213 0.000 1.202 129 F CB -0.424 38.377 39.000 -0.332 0.000 0.965 129 F HN -0.224 nan 8.300 nan 0.000 0.482 130 L N -0.179 120.715 121.223 -0.548 0.000 2.083 130 L HA -0.229 4.113 4.340 0.004 0.000 0.209 130 L C 2.449 179.134 176.870 -0.308 0.000 1.083 130 L CA 1.223 55.715 54.840 -0.580 0.000 0.752 130 L CB -0.717 41.134 42.059 -0.347 0.000 0.899 130 L HN 0.231 nan 8.230 nan 0.000 0.433 131 Q N -0.126 119.567 119.800 -0.178 0.000 2.167 131 Q HA -0.172 4.171 4.340 0.004 0.000 0.202 131 Q C 2.014 177.952 176.000 -0.103 0.000 0.970 131 Q CA 1.235 56.989 55.803 -0.083 0.000 0.855 131 Q CB -0.037 28.663 28.738 -0.063 0.000 0.911 131 Q HN 0.471 nan 8.270 nan 0.000 0.438 132 E N -0.266 119.883 120.200 -0.085 0.000 2.158 132 E HA -0.048 4.305 4.350 0.004 0.000 0.191 132 E C 1.718 178.331 176.600 0.021 0.000 0.982 132 E CA 0.353 56.768 56.400 0.026 0.000 0.823 132 E CB 0.006 29.805 29.700 0.165 0.000 0.766 132 E HN 0.307 nan 8.360 nan 0.000 0.468 133 L N 0.632 121.757 121.223 -0.163 0.000 2.187 133 L HA -0.159 4.183 4.340 0.004 0.000 0.213 133 L C 2.374 179.204 176.870 -0.066 0.000 1.100 133 L CA 0.883 55.624 54.840 -0.164 0.000 0.765 133 L CB -0.332 41.460 42.059 -0.446 0.000 0.904 133 L HN 0.133 nan 8.230 nan 0.000 0.437 134 A N -0.476 122.296 122.820 -0.080 0.000 2.169 134 A HA 0.145 4.468 4.320 0.004 0.000 0.212 134 A C 1.150 178.710 177.584 -0.039 0.000 1.153 134 A CA 0.016 52.031 52.037 -0.038 0.000 0.756 134 A CB -0.295 18.710 19.000 0.008 0.000 0.813 134 A HN 0.225 nan 8.150 nan 0.000 0.471 135 L N -0.530 120.671 121.223 -0.038 0.000 2.467 135 L HA 0.111 4.453 4.340 0.004 0.000 0.270 135 L C -1.335 175.545 176.870 0.015 0.000 1.205 135 L CA -1.581 53.240 54.840 -0.032 0.000 0.828 135 L CB 0.221 42.306 42.059 0.043 0.000 1.101 135 L HN 0.035 nan 8.230 nan 0.000 0.479 136 P HA -0.148 nan 4.420 nan 0.000 0.217 136 P C -0.559 176.727 177.300 -0.022 0.000 1.151 136 P CA 1.480 64.600 63.100 0.033 0.000 0.849 136 P CB 0.153 31.888 31.700 0.059 0.000 0.787 137 R N -3.278 117.209 120.500 -0.021 0.000 2.692 137 R HA 0.353 4.695 4.340 0.004 0.000 0.269 137 R C -2.805 173.420 176.300 -0.125 0.000 1.030 137 R CA -1.609 54.393 56.100 -0.163 0.000 0.882 137 R CB 0.084 30.222 30.300 -0.270 0.000 1.250 137 R HN -0.249 nan 8.270 nan 0.000 0.465 138 P HA 0.141 nan 4.420 nan 0.000 0.255 138 P C -0.284 176.529 177.300 -0.813 0.000 1.248 138 P CA 0.238 62.889 63.100 -0.747 0.000 0.807 138 P CB 0.156 31.155 31.700 -1.168 0.000 1.150 139 F N 1.076 120.777 119.950 -0.415 0.000 2.871 139 F HA 0.294 4.824 4.527 0.004 0.000 0.317 139 F C 1.313 176.618 175.800 -0.825 0.000 1.193 139 F CA -0.447 57.158 58.000 -0.660 0.000 1.311 139 F CB 0.039 38.759 39.000 -0.467 0.000 1.380 139 F HN -0.294 nan 8.300 nan 0.000 0.557 140 R N -0.300 119.808 120.500 -0.653 0.000 2.939 140 R HA 0.644 4.986 4.340 0.004 0.000 0.254 140 R C -1.436 174.455 176.300 -0.683 0.000 1.123 140 R CA -1.045 54.654 56.100 -0.669 0.000 1.020 140 R CB 1.844 32.051 30.300 -0.154 0.000 1.206 140 R HN 0.014 nan 8.270 nan 0.000 0.491 141 F N 1.092 121.173 119.950 0.218 0.000 2.460 141 F HA 0.478 5.008 4.527 0.004 0.000 0.341 141 F C 0.170 176.293 175.800 0.538 0.000 1.130 141 F CA -0.663 57.571 58.000 0.389 0.000 0.962 141 F CB 1.357 40.666 39.000 0.515 0.000 1.171 141 F HN 0.188 nan 8.300 nan 0.000 0.436 142 I N 2.638 123.482 120.570 0.458 0.000 2.498 142 I HA 0.691 4.863 4.170 0.004 0.000 0.301 142 I C 0.040 176.142 176.117 -0.024 0.000 0.984 142 I CA -0.853 60.650 61.300 0.338 0.000 1.204 142 I CB 1.359 39.405 38.000 0.076 0.000 1.362 142 I HN 0.728 nan 8.210 nan 0.000 0.471 143 A N 8.048 130.443 122.820 -0.708 0.000 2.545 143 A HA 0.202 4.524 4.320 0.004 0.000 0.253 143 A C -1.885 175.353 177.584 -0.576 0.000 1.074 143 A CA -0.750 50.538 52.037 -1.248 0.000 0.760 143 A CB -0.448 17.933 19.000 -1.030 0.000 1.005 143 A HN 0.664 nan 8.150 nan 0.000 0.506 144 P HA -0.211 nan 4.420 nan 0.000 0.218 144 P C 1.697 178.576 177.300 -0.702 0.000 1.146 144 P CA 1.883 64.320 63.100 -1.106 0.000 0.813 144 P CB 0.048 31.293 31.700 -0.758 0.000 0.778 145 S N -1.226 114.241 115.700 -0.388 0.000 2.465 145 S HA -0.185 4.287 4.470 0.004 0.000 0.241 145 S C 1.586 176.108 174.600 -0.129 0.000 1.000 145 S CA 0.970 59.040 58.200 -0.217 0.000 0.964 145 S CB -0.901 62.207 63.200 -0.154 0.000 0.763 145 S HN 0.161 nan 8.310 nan 0.000 0.512 146 Q N 0.151 119.891 119.800 -0.099 0.000 2.319 146 Q HA 0.387 4.730 4.340 0.004 0.000 0.202 146 Q C -0.038 176.072 176.000 0.183 0.000 0.896 146 Q CA -0.239 55.580 55.803 0.027 0.000 0.942 146 Q CB -0.243 28.508 28.738 0.022 0.000 1.083 146 Q HN 0.648 nan 8.270 nan 0.000 0.510 147 F N 1.766 121.670 119.950 -0.077 0.000 2.545 147 F HA 0.047 4.577 4.527 0.004 0.000 0.348 147 F C 1.001 176.753 175.800 -0.080 0.000 1.163 147 F CA -0.095 57.867 58.000 -0.062 0.000 1.331 147 F CB 0.649 39.619 39.000 -0.049 0.000 1.138 147 F HN -0.307 nan 8.300 nan 0.000 0.602 148 K N 2.502 122.961 120.400 0.099 0.000 2.265 148 K HA 0.144 4.467 4.320 0.004 0.000 0.267 148 K C -0.393 176.223 176.600 0.027 0.000 0.994 148 K CA -0.652 55.653 56.287 0.030 0.000 0.860 148 K CB 0.939 33.443 32.500 0.007 0.000 1.099 148 K HN 0.612 nan 8.250 nan 0.000 0.448 149 N N 3.776 122.470 118.700 -0.010 0.000 2.727 149 N HA -0.214 4.529 4.740 0.004 0.000 0.249 149 N C -0.557 175.056 175.510 0.172 0.000 1.048 149 N CA 0.910 53.990 53.050 0.049 0.000 0.714 149 N CB -1.135 37.406 38.487 0.090 0.000 0.959 149 N HN 0.897 nan 8.380 nan 0.000 0.544 150 H N -3.220 115.963 119.070 0.189 0.000 3.080 150 H HA -0.150 4.409 4.556 0.004 0.000 0.254 150 H C 0.013 175.456 175.328 0.192 0.000 1.179 150 H CA 1.506 57.731 56.048 0.296 0.000 1.144 150 H CB -0.827 29.049 29.762 0.190 0.000 1.261 150 H HN 0.479 nan 8.280 nan 0.000 0.333 151 E N -0.182 120.059 120.200 0.068 0.000 2.392 151 E HA 0.391 4.744 4.350 0.004 0.000 0.269 151 E C 1.230 177.602 176.600 -0.381 0.000 0.924 151 E CA 0.185 56.483 56.400 -0.171 0.000 0.784 151 E CB 1.585 31.256 29.700 -0.049 0.000 1.292 151 E HN 0.234 nan 8.360 nan 0.000 0.447 152 T N -3.354 110.965 114.554 -0.391 0.000 2.959 152 T HA 0.032 4.385 4.350 0.004 0.000 0.254 152 T C 1.662 176.283 174.700 -0.131 0.000 1.003 152 T CA 0.117 62.049 62.100 -0.281 0.000 0.950 152 T CB -0.097 68.611 68.868 -0.266 0.000 1.090 152 T HN 0.488 nan 8.240 nan 0.000 0.503 153 M N 1.150 120.696 119.600 -0.091 0.000 2.460 153 M HA 0.171 4.653 4.480 0.004 0.000 0.263 153 M C 0.682 176.957 176.300 -0.042 0.000 1.071 153 M CA 1.288 56.560 55.300 -0.046 0.000 1.096 153 M CB -0.609 31.973 32.600 -0.030 0.000 1.408 153 M HN -0.021 nan 8.290 nan 0.000 0.463 154 N N 1.366 120.039 118.700 -0.046 0.000 2.214 154 N HA 0.358 5.101 4.740 0.004 0.000 0.214 154 N C 0.365 175.852 175.510 -0.037 0.000 1.132 154 N CA 0.852 53.883 53.050 -0.033 0.000 0.856 154 N CB 1.221 39.696 38.487 -0.021 0.000 1.020 154 N HN 0.607 nan 8.380 nan 0.000 0.509 155 G N 1.138 109.906 108.800 -0.054 0.000 2.440 155 G HA2 0.005 3.967 3.960 0.004 0.000 0.684 155 G HA3 0.005 3.967 3.960 0.004 0.000 0.684 155 G C -0.989 173.876 174.900 -0.057 0.000 1.309 155 G CA -0.737 44.331 45.100 -0.053 0.000 0.931 155 G HN 0.184 nan 8.290 nan 0.000 0.612 156 I N -2.504 118.038 120.570 -0.047 0.000 3.108 156 I HA 0.772 4.945 4.170 0.004 0.000 0.312 156 I C 0.841 176.955 176.117 -0.004 0.000 1.095 156 I CA -1.452 59.835 61.300 -0.021 0.000 1.000 156 I CB 1.878 39.859 38.000 -0.032 0.000 1.229 156 I HN 0.645 nan 8.210 nan 0.000 0.454 157 K N 1.811 122.219 120.400 0.014 0.000 2.074 157 K HA 0.468 4.791 4.320 0.004 0.000 0.214 157 K C 0.488 177.090 176.600 0.004 0.000 1.029 157 K CA 0.393 56.683 56.287 0.005 0.000 0.966 157 K CB -0.275 32.228 32.500 0.005 0.000 0.945 157 K HN 0.728 nan 8.250 nan 0.000 0.453 158 A N 2.381 125.207 122.820 0.010 0.000 2.312 158 A HA 0.327 4.650 4.320 0.004 0.000 0.326 158 A C -2.391 175.220 177.584 0.044 0.000 1.172 158 A CA -1.653 50.391 52.037 0.012 0.000 0.821 158 A CB 0.352 19.355 19.000 0.006 0.000 1.166 158 A HN 0.197 nan 8.150 nan 0.000 0.493 159 P HA 0.144 nan 4.420 nan 0.000 0.237 159 P C -0.813 176.554 177.300 0.111 0.000 1.788 159 P CA 0.195 63.379 63.100 0.140 0.000 1.061 159 P CB -0.294 31.457 31.700 0.085 0.000 1.967 160 I N 2.108 122.775 120.570 0.162 0.000 2.291 160 I HA 0.348 4.521 4.170 0.004 0.000 0.290 160 I C 1.203 177.510 176.117 0.317 0.000 1.050 160 I CA -0.118 61.269 61.300 0.145 0.000 1.245 160 I CB 0.762 38.805 38.000 0.071 0.000 1.405 160 I HN 0.165 nan 8.210 nan 0.000 0.478 161 G N 3.785 112.736 108.800 0.251 0.000 2.938 161 G HA2 0.470 4.433 3.960 0.004 0.000 0.258 161 G HA3 0.470 4.433 3.960 0.004 0.000 0.258 161 G C 0.617 175.798 174.900 0.469 0.000 1.356 161 G CA 0.001 45.380 45.100 0.463 0.000 1.052 161 G HN 0.495 nan 8.290 nan 0.000 0.550 162 T N -2.686 112.072 114.554 0.340 0.000 3.069 162 T HA 0.348 4.701 4.350 0.004 0.000 0.252 162 T C 1.213 176.128 174.700 0.357 0.000 1.053 162 T CA 0.567 62.793 62.100 0.209 0.000 0.964 162 T CB 0.144 68.986 68.868 -0.042 0.000 1.005 162 T HN 0.729 nan 8.240 nan 0.000 0.532 163 G N 2.476 111.418 108.800 0.237 0.000 2.651 163 G HA2 0.429 4.392 3.960 0.004 0.000 0.260 163 G HA3 0.429 4.392 3.960 0.004 0.000 0.260 163 G C -1.352 173.354 174.900 -0.323 0.000 1.216 163 G CA -1.316 43.838 45.100 0.090 0.000 0.913 163 G HN 0.083 nan 8.290 nan 0.000 0.535 164 P HA 0.015 nan 4.420 nan 0.000 0.233 164 P C -0.513 176.147 177.300 -1.067 0.000 1.167 164 P CA 0.729 62.996 63.100 -1.388 0.000 0.770 164 P CB 0.203 30.970 31.700 -1.555 0.000 0.837 165 W N -0.017 121.179 121.300 -0.174 0.000 2.761 165 W HA 0.562 5.225 4.660 0.004 0.000 0.340 165 W C -0.176 176.381 176.519 0.064 0.000 1.072 165 W CA -0.851 56.480 57.345 -0.023 0.000 1.215 165 W CB 1.382 30.822 29.460 -0.033 0.000 1.420 165 W HN -0.363 nan 8.180 nan 0.000 0.519 166 I N 3.475 124.278 120.570 0.389 0.000 2.436 166 I HA 0.214 4.386 4.170 0.004 0.000 0.289 166 I C -0.706 175.496 176.117 0.141 0.000 1.010 166 I CA -1.243 60.181 61.300 0.207 0.000 1.098 166 I CB 1.483 39.551 38.000 0.115 0.000 1.266 166 I HN 0.128 nan 8.210 nan 0.000 0.434 167 L N 6.496 127.667 121.223 -0.087 0.000 2.385 167 L HA 0.131 4.473 4.340 0.004 0.000 0.281 167 L C 0.970 177.682 176.870 -0.263 0.000 1.106 167 L CA 0.827 55.363 54.840 -0.508 0.000 0.856 167 L CB 0.699 42.437 42.059 -0.534 0.000 1.186 167 L HN 0.722 nan 8.230 nan 0.000 0.453 168 Q N 3.559 123.219 119.800 -0.233 0.000 2.226 168 Q HA 0.107 4.450 4.340 0.004 0.000 0.199 168 Q C -0.387 175.566 176.000 -0.079 0.000 0.945 168 Q CA 0.861 56.606 55.803 -0.095 0.000 0.861 168 Q CB 0.446 29.166 28.738 -0.030 0.000 0.953 168 Q HN 0.828 nan 8.270 nan 0.000 0.490 169 E N -1.145 119.003 120.200 -0.085 0.000 2.412 169 E HA 0.569 4.922 4.350 0.004 0.000 0.279 169 E C -1.518 175.066 176.600 -0.026 0.000 0.984 169 E CA -1.004 55.384 56.400 -0.020 0.000 0.788 169 E CB 1.945 31.695 29.700 0.084 0.000 1.277 169 E HN -0.075 nan 8.360 nan 0.000 0.455 170 S N 0.338 116.002 115.700 -0.060 0.000 2.575 170 S HA 0.485 4.958 4.470 0.004 0.000 0.278 170 S C -1.357 173.098 174.600 -0.242 0.000 1.139 170 S CA -0.902 57.218 58.200 -0.133 0.000 0.954 170 S CB 1.565 64.684 63.200 -0.135 0.000 1.054 170 S HN 0.521 nan 8.310 nan 0.000 0.483 171 K N 2.551 122.660 120.400 -0.485 0.000 2.463 171 K HA 0.513 4.835 4.320 0.004 0.000 0.255 171 K C -0.936 175.464 176.600 -0.333 0.000 0.942 171 K CA -0.851 55.138 56.287 -0.496 0.000 0.814 171 K CB 0.949 32.939 32.500 -0.850 0.000 1.122 171 K HN 0.500 nan 8.250 nan 0.000 0.425 172 L N 5.044 126.154 121.223 -0.187 0.000 2.540 172 L HA 0.055 4.398 4.340 0.004 0.000 0.276 172 L C -0.096 176.720 176.870 -0.089 0.000 1.212 172 L CA 1.181 55.956 54.840 -0.108 0.000 0.893 172 L CB -0.255 41.761 42.059 -0.072 0.000 1.138 172 L HN 0.969 nan 8.230 nan 0.000 0.491 173 N N 2.470 121.143 118.700 -0.044 0.000 2.778 173 N HA -0.239 4.504 4.740 0.004 0.000 0.249 173 N C 0.438 175.947 175.510 -0.001 0.000 1.069 173 N CA 1.563 54.609 53.050 -0.008 0.000 0.831 173 N CB -0.775 37.709 38.487 -0.005 0.000 1.142 173 N HN 0.864 nan 8.380 nan 0.000 0.573 174 Q N -1.619 118.152 119.800 -0.048 0.000 2.546 174 Q HA 0.190 4.533 4.340 0.004 0.000 0.203 174 Q C -0.177 175.903 176.000 0.133 0.000 0.740 174 Q CA 0.541 56.343 55.803 -0.001 0.000 0.879 174 Q CB 0.860 29.534 28.738 -0.107 0.000 1.265 174 Q HN 0.470 nan 8.270 nan 0.000 0.585 175 Y N -1.551 118.796 120.300 0.079 0.000 2.713 175 Y HA 0.594 5.146 4.550 0.004 0.000 0.335 175 Y C -2.076 173.879 175.900 0.091 0.000 1.222 175 Y CA -1.470 56.696 58.100 0.111 0.000 1.061 175 Y CB 1.005 39.519 38.460 0.090 0.000 1.314 175 Y HN -0.198 nan 8.280 nan 0.000 0.453 176 D N 1.032 121.675 120.400 0.405 0.000 2.738 176 D HA 0.582 5.225 4.640 0.004 0.000 0.237 176 D C -1.377 175.118 176.300 0.325 0.000 1.123 176 D CA -0.469 53.679 54.000 0.247 0.000 0.856 176 D CB 3.272 44.127 40.800 0.091 0.000 1.552 176 D HN 0.463 nan 8.370 nan 0.000 0.480 177 V N 2.201 122.184 119.914 0.115 0.000 2.495 177 V HA 0.478 4.600 4.120 0.004 0.000 0.298 177 V C -0.675 175.352 176.094 -0.111 0.000 1.031 177 V CA -0.679 61.674 62.300 0.087 0.000 0.871 177 V CB 1.201 33.049 31.823 0.041 0.000 0.988 177 V HN 0.365 nan 8.190 nan 0.000 0.432 178 F N 2.919 122.902 119.950 0.056 0.000 2.492 178 F HA 0.733 5.263 4.527 0.005 0.000 0.327 178 F C 0.075 175.933 175.800 0.097 0.000 1.079 178 F CA -0.823 57.212 58.000 0.057 0.000 0.967 178 F CB 2.083 41.073 39.000 -0.016 0.000 1.169 178 F HN 0.199 nan 8.300 nan 0.000 0.472 179 V N 2.954 123.084 119.914 0.361 0.000 2.680 179 V HA 0.450 4.572 4.120 0.004 0.000 0.309 179 V C -0.214 176.116 176.094 0.394 0.000 1.052 179 V CA -1.093 61.387 62.300 0.300 0.000 0.908 179 V CB 2.041 33.953 31.823 0.148 0.000 1.001 179 V HN 0.724 nan 8.190 nan 0.000 0.431 180 R N 3.427 124.108 120.500 0.303 0.000 2.585 180 R HA 0.003 4.346 4.340 0.004 0.000 0.275 180 R C 0.161 176.424 176.300 -0.062 0.000 1.018 180 R CA 0.022 56.095 56.100 -0.046 0.000 1.072 180 R CB 0.243 30.473 30.300 -0.116 0.000 0.953 180 R HN 0.744 nan 8.270 nan 0.000 0.419 181 N N 3.175 121.764 118.700 -0.186 0.000 2.402 181 N HA -0.030 4.713 4.740 0.004 0.000 0.252 181 N C -0.048 175.432 175.510 -0.050 0.000 1.118 181 N CA 0.021 53.025 53.050 -0.077 0.000 0.945 181 N CB 1.023 39.462 38.487 -0.081 0.000 1.147 181 N HN 0.544 nan 8.380 nan 0.000 0.495 182 E N 2.043 122.239 120.200 -0.008 0.000 2.418 182 E HA -0.021 4.332 4.350 0.004 0.000 0.197 182 E C -0.130 176.482 176.600 0.021 0.000 1.026 182 E CA 0.600 56.999 56.400 -0.001 0.000 0.862 182 E CB 0.142 29.846 29.700 0.008 0.000 0.799 182 E HN 0.567 nan 8.360 nan 0.000 0.518 183 N N 0.371 119.099 118.700 0.047 0.000 2.328 183 N HA -0.030 4.713 4.740 0.004 0.000 0.247 183 N C -0.331 175.238 175.510 0.098 0.000 1.165 183 N CA -0.210 52.877 53.050 0.061 0.000 0.873 183 N CB 0.150 38.676 38.487 0.066 0.000 1.125 183 N HN 0.096 nan 8.380 nan 0.000 0.513 184 Y N 2.085 122.340 120.300 -0.076 0.000 2.610 184 Y HA -0.089 4.464 4.550 0.004 0.000 0.332 184 Y C 1.698 177.530 175.900 -0.112 0.000 1.201 184 Y CA -0.653 57.369 58.100 -0.131 0.000 1.465 184 Y CB 0.418 38.718 38.460 -0.267 0.000 1.283 184 Y HN 0.231 nan 8.280 nan 0.000 0.563 185 W N 4.867 125.756 121.300 -0.684 0.000 2.402 185 W HA 0.093 4.756 4.660 0.005 0.000 0.286 185 W C 0.368 176.453 176.519 -0.724 0.000 1.221 185 W CA 0.730 57.703 57.345 -0.620 0.000 1.257 185 W CB -1.075 28.063 29.460 -0.536 0.000 1.120 185 W HN 0.659 nan 8.180 nan 0.000 0.551 186 G N 1.012 108.563 108.800 -2.081 0.000 2.695 186 G HA2 0.186 4.148 3.960 0.004 0.000 0.213 186 G HA3 0.186 4.148 3.960 0.004 0.000 0.213 186 G C -0.874 173.701 174.900 -0.541 0.000 1.406 186 G CA -0.783 43.471 45.100 -1.410 0.000 1.049 186 G HN 0.134 nan 8.290 nan 0.000 0.573 187 E N 0.036 120.082 120.200 -0.257 0.000 2.344 187 E HA 0.217 4.570 4.350 0.004 0.000 0.270 187 E C -0.039 176.568 176.600 0.012 0.000 1.021 187 E CA -0.223 56.130 56.400 -0.078 0.000 0.887 187 E CB 0.476 30.151 29.700 -0.041 0.000 0.997 187 E HN 0.222 nan 8.360 nan 0.000 0.429 188 K N 5.145 125.531 120.400 -0.024 0.000 2.368 188 K HA 0.187 4.509 4.320 0.004 0.000 0.282 188 K C -2.236 174.296 176.600 -0.115 0.000 1.035 188 K CA -1.775 54.469 56.287 -0.072 0.000 0.973 188 K CB 0.664 33.127 32.500 -0.062 0.000 0.957 188 K HN 0.386 nan 8.250 nan 0.000 0.474 189 P HA -0.026 nan 4.420 nan 0.000 0.269 189 P C -0.343 176.931 177.300 -0.042 0.000 1.209 189 P CA 0.003 63.013 63.100 -0.149 0.000 0.776 189 P CB 0.983 32.476 31.700 -0.344 0.000 0.876 190 A N 3.310 126.150 122.820 0.033 0.000 1.969 190 A HA -0.060 4.263 4.320 0.004 0.000 0.218 190 A C 1.063 178.697 177.584 0.083 0.000 1.169 190 A CA 0.978 53.043 52.037 0.046 0.000 0.635 190 A CB -0.914 18.116 19.000 0.050 0.000 0.810 190 A HN 0.546 nan 8.150 nan 0.000 0.445 191 I N 0.357 121.030 120.570 0.171 0.000 2.441 191 I HA 0.065 4.238 4.170 0.004 0.000 0.287 191 I C 1.386 177.671 176.117 0.279 0.000 1.049 191 I CA -0.171 61.266 61.300 0.229 0.000 1.381 191 I CB 1.516 39.684 38.000 0.279 0.000 1.409 191 I HN 0.428 nan 8.210 nan 0.000 0.523 192 K N 5.179 125.691 120.400 0.187 0.000 2.334 192 K HA 0.202 4.525 4.320 0.004 0.000 0.195 192 K C 0.501 177.240 176.600 0.231 0.000 1.045 192 K CA 0.142 56.534 56.287 0.174 0.000 1.004 192 K CB 0.571 33.121 32.500 0.083 0.000 0.837 192 K HN 0.447 nan 8.250 nan 0.000 0.510 193 K N 1.111 121.610 120.400 0.165 0.000 2.513 193 K HA 0.396 4.719 4.320 0.004 0.000 0.251 193 K C -1.760 174.813 176.600 -0.046 0.000 0.939 193 K CA -0.698 55.646 56.287 0.096 0.000 0.793 193 K CB 1.672 34.197 32.500 0.042 0.000 1.241 193 K HN 0.079 nan 8.250 nan 0.000 0.431 194 I N 2.704 123.189 120.570 -0.143 0.000 2.447 194 I HA 0.246 4.418 4.170 0.004 0.000 0.287 194 I C -0.619 175.361 176.117 -0.229 0.000 1.023 194 I CA -0.667 60.401 61.300 -0.386 0.000 1.083 194 I CB 2.331 39.806 38.000 -0.876 0.000 1.245 194 I HN 0.483 nan 8.210 nan 0.000 0.434 195 T N 5.984 120.373 114.554 -0.274 0.000 2.771 195 T HA 0.521 4.873 4.350 0.004 0.000 0.281 195 T C -0.578 173.988 174.700 -0.223 0.000 0.982 195 T CA -0.264 61.767 62.100 -0.115 0.000 0.978 195 T CB 0.426 69.233 68.868 -0.103 0.000 0.930 195 T HN 0.094 nan 8.240 nan 0.000 0.447 196 F N 2.876 122.886 119.950 0.099 0.000 2.385 196 F HA 0.351 4.881 4.527 0.005 0.000 0.360 196 F C 1.041 176.962 175.800 0.202 0.000 1.122 196 F CA -0.935 57.158 58.000 0.156 0.000 1.090 196 F CB 0.491 39.630 39.000 0.233 0.000 1.150 196 F HN 0.468 nan 8.300 nan 0.000 0.472 197 N N 2.005 120.879 118.700 0.290 0.000 2.488 197 N HA 0.288 5.031 4.740 0.004 0.000 0.274 197 N C -0.967 174.713 175.510 0.283 0.000 1.111 197 N CA -0.579 52.629 53.050 0.263 0.000 0.974 197 N CB 1.413 39.999 38.487 0.166 0.000 1.089 197 N HN 0.231 nan 8.380 nan 0.000 0.465 198 V N 4.560 124.624 119.914 0.249 0.000 2.397 198 V HA 0.141 4.264 4.120 0.004 0.000 0.262 198 V C 0.241 176.418 176.094 0.138 0.000 1.047 198 V CA 0.263 62.684 62.300 0.202 0.000 1.003 198 V CB -0.603 31.311 31.823 0.153 0.000 1.037 198 V HN 0.586 nan 8.190 nan 0.000 0.480 199 I N 7.592 128.233 120.570 0.117 0.000 2.583 199 I HA 0.270 4.443 4.170 0.004 0.000 0.276 199 I C -1.837 174.293 176.117 0.022 0.000 1.089 199 I CA -1.513 59.830 61.300 0.071 0.000 1.103 199 I CB 2.134 40.182 38.000 0.080 0.000 1.209 199 I HN 0.401 nan 8.210 nan 0.000 0.484 200 P HA -0.102 nan 4.420 nan 0.000 0.220 200 P C 0.266 177.542 177.300 -0.041 0.000 1.148 200 P CA 1.119 64.204 63.100 -0.025 0.000 0.803 200 P CB 0.190 31.885 31.700 -0.009 0.000 0.782 201 D N -0.389 119.998 120.400 -0.021 0.000 2.249 201 D HA 0.073 4.715 4.640 0.004 0.000 0.246 201 D C -1.470 174.810 176.300 -0.033 0.000 1.114 201 D CA -2.404 51.581 54.000 -0.025 0.000 0.854 201 D CB 1.460 42.255 40.800 -0.009 0.000 1.132 201 D HN -0.043 nan 8.370 nan 0.000 0.461 202 P HA -0.142 nan 4.420 nan 0.000 0.218 202 P C 1.288 178.565 177.300 -0.038 0.000 1.149 202 P CA 1.431 64.495 63.100 -0.060 0.000 0.817 202 P CB -0.077 31.571 31.700 -0.086 0.000 0.785 203 T N -3.402 111.132 114.554 -0.034 0.000 2.821 203 T HA -0.088 4.264 4.350 0.004 0.000 0.267 203 T C 1.800 176.506 174.700 0.010 0.000 1.046 203 T CA 1.895 63.981 62.100 -0.024 0.000 1.139 203 T CB -1.772 67.081 68.868 -0.026 0.000 0.871 203 T HN 0.026 nan 8.240 nan 0.000 0.454 204 T N 1.557 116.119 114.554 0.014 0.000 2.821 204 T HA 0.046 4.399 4.350 0.004 0.000 0.267 204 T C 2.165 176.900 174.700 0.057 0.000 1.046 204 T CA 0.807 62.928 62.100 0.034 0.000 1.139 204 T CB -0.212 68.673 68.868 0.028 0.000 0.871 204 T HN 0.418 nan 8.240 nan 0.000 0.454 205 R N 1.072 121.602 120.500 0.050 0.000 2.096 205 R HA 0.013 4.355 4.340 0.004 0.000 0.235 205 R C 2.811 179.194 176.300 0.138 0.000 1.127 205 R CA 1.307 57.455 56.100 0.081 0.000 0.968 205 R CB -0.462 29.865 30.300 0.045 0.000 0.861 205 R HN 0.373 nan 8.270 nan 0.000 0.440 206 A N 0.662 123.557 122.820 0.126 0.000 1.898 206 A HA -0.096 4.227 4.320 0.004 0.000 0.216 206 A C 2.345 180.099 177.584 0.282 0.000 1.181 206 A CA 1.264 53.440 52.037 0.232 0.000 0.620 206 A CB -0.402 18.645 19.000 0.078 0.000 0.819 206 A HN 0.110 nan 8.150 nan 0.000 0.442 207 V N -0.123 119.886 119.914 0.159 0.000 2.358 207 V HA -0.215 3.907 4.120 0.004 0.000 0.246 207 V C 3.033 179.186 176.094 0.099 0.000 1.047 207 V CA 1.781 64.155 62.300 0.124 0.000 1.035 207 V CB -1.248 30.620 31.823 0.074 0.000 0.658 207 V HN 0.602 nan 8.190 nan 0.000 0.452 208 A N -0.308 122.574 122.820 0.103 0.000 1.902 208 A HA -0.250 4.073 4.320 0.004 0.000 0.217 208 A C 2.117 179.739 177.584 0.063 0.000 1.181 208 A CA 2.086 54.169 52.037 0.077 0.000 0.623 208 A CB -0.705 18.351 19.000 0.092 0.000 0.818 208 A HN 0.529 nan 8.150 nan 0.000 0.443 209 F N 0.814 120.758 119.950 -0.010 0.000 2.102 209 F HA -0.128 4.400 4.527 0.002 0.000 0.298 209 F C 2.196 177.890 175.800 -0.177 0.000 1.105 209 F CA 2.144 60.088 58.000 -0.093 0.000 1.239 209 F CB -0.334 38.592 39.000 -0.125 0.000 0.991 209 F HN 0.350 nan 8.300 nan 0.000 0.474 210 E N -0.611 119.481 120.200 -0.180 0.000 2.118 210 E HA -0.234 4.119 4.350 0.004 0.000 0.195 210 E C 2.055 178.555 176.600 -0.168 0.000 0.992 210 E CA 1.903 58.165 56.400 -0.231 0.000 0.804 210 E CB -0.357 29.390 29.700 0.079 0.000 0.741 210 E HN 0.554 nan 8.360 nan 0.000 0.458 211 T N -3.113 111.372 114.554 -0.115 0.000 3.118 211 T HA 0.125 4.478 4.350 0.004 0.000 0.260 211 T C 1.571 176.194 174.700 -0.130 0.000 1.139 211 T CA 0.583 62.635 62.100 -0.081 0.000 1.085 211 T CB 0.291 69.138 68.868 -0.036 0.000 0.934 211 T HN 0.303 nan 8.240 nan 0.000 0.518 212 G N 1.359 110.015 108.800 -0.240 0.000 2.162 212 G HA2 -0.330 3.633 3.960 0.004 0.000 0.260 212 G HA3 -0.330 3.633 3.960 0.004 0.000 0.260 212 G C 0.525 175.344 174.900 -0.134 0.000 0.976 212 G CA 0.556 45.518 45.100 -0.231 0.000 0.655 212 G HN 0.575 nan 8.290 nan 0.000 0.533 213 D N 0.356 120.702 120.400 -0.090 0.000 2.149 213 D HA -0.012 4.631 4.640 0.004 0.000 0.198 213 D C 1.594 177.877 176.300 -0.028 0.000 0.990 213 D CA 1.559 55.533 54.000 -0.042 0.000 0.839 213 D CB -0.022 40.771 40.800 -0.012 0.000 0.948 213 D HN 0.956 nan 8.370 nan 0.000 0.460 214 I N -3.478 117.083 120.570 -0.014 0.000 2.846 214 I HA 0.400 4.573 4.170 0.004 0.000 0.307 214 I C -0.115 176.035 176.117 0.054 0.000 1.053 214 I CA -0.799 60.520 61.300 0.033 0.000 1.050 214 I CB 2.215 40.272 38.000 0.095 0.000 1.239 214 I HN -0.377 nan 8.210 nan 0.000 0.439 215 D N 2.490 122.942 120.400 0.086 0.000 2.392 215 D HA 0.324 4.967 4.640 0.004 0.000 0.206 215 D C -0.023 176.444 176.300 0.278 0.000 1.046 215 D CA 0.765 54.841 54.000 0.128 0.000 0.865 215 D CB 1.679 42.511 40.800 0.053 0.000 0.969 215 D HN 0.339 nan 8.370 nan 0.000 0.509 216 L N 0.975 122.342 121.223 0.239 0.000 2.513 216 L HA 0.371 4.713 4.340 0.004 0.000 0.261 216 L C -1.932 175.026 176.870 0.147 0.000 0.945 216 L CA -0.462 54.485 54.840 0.179 0.000 0.848 216 L CB 2.336 44.483 42.059 0.147 0.000 1.334 216 L HN -0.234 nan 8.230 nan 0.000 0.407 217 L N 4.330 125.595 121.223 0.070 0.000 2.365 217 L HA 0.536 4.878 4.340 0.004 0.000 0.273 217 L C -1.632 175.322 176.870 0.140 0.000 1.000 217 L CA -0.651 54.246 54.840 0.094 0.000 0.819 217 L CB 2.332 44.392 42.059 0.002 0.000 1.284 217 L HN 0.515 nan 8.230 nan 0.000 0.418 218 Y N 2.206 122.537 120.300 0.052 0.000 2.362 218 Y HA 0.710 5.263 4.550 0.005 0.000 0.326 218 Y C -0.184 175.767 175.900 0.086 0.000 1.083 218 Y CA -0.270 57.849 58.100 0.032 0.000 1.073 218 Y CB 2.004 40.439 38.460 -0.042 0.000 1.211 218 Y HN 0.646 nan 8.280 nan 0.000 0.433 219 G N 3.801 112.617 108.800 0.027 0.000 2.341 219 G HA2 0.152 4.114 3.960 0.004 0.000 0.299 219 G HA3 0.152 4.114 3.960 0.004 0.000 0.299 219 G C -1.691 173.153 174.900 -0.093 0.000 1.274 219 G CA -1.103 44.046 45.100 0.082 0.000 0.853 219 G HN 0.535 nan 8.290 nan 0.000 0.493 220 N N 0.233 118.886 118.700 -0.080 0.000 2.452 220 N HA 0.253 4.996 4.740 0.004 0.000 0.296 220 N C 1.686 177.086 175.510 -0.184 0.000 1.304 220 N CA 0.048 53.024 53.050 -0.124 0.000 0.956 220 N CB 0.295 38.739 38.487 -0.072 0.000 1.106 220 N HN 0.691 nan 8.380 nan 0.000 0.555 221 E N -0.315 119.777 120.200 -0.180 0.000 2.396 221 E HA -0.110 4.242 4.350 0.004 0.000 0.200 221 E C 0.953 177.435 176.600 -0.198 0.000 1.023 221 E CA 1.226 57.502 56.400 -0.206 0.000 0.857 221 E CB -0.733 28.864 29.700 -0.172 0.000 0.775 221 E HN 0.675 nan 8.360 nan 0.000 0.525 222 G N 0.934 109.627 108.800 -0.178 0.000 3.042 222 G HA2 0.045 4.008 3.960 0.004 0.000 0.212 222 G HA3 0.045 4.008 3.960 0.004 0.000 0.212 222 G C 1.312 176.107 174.900 -0.176 0.000 1.166 222 G CA 0.189 45.186 45.100 -0.171 0.000 0.767 222 G HN 0.245 nan 8.290 nan 0.000 0.546 223 L N 0.357 121.468 121.223 -0.187 0.000 2.012 223 L HA 0.222 4.565 4.340 0.004 0.000 0.210 223 L C 0.927 177.721 176.870 -0.128 0.000 1.073 223 L CA 1.760 56.500 54.840 -0.166 0.000 0.748 223 L CB -0.122 41.838 42.059 -0.164 0.000 0.891 223 L HN 0.345 nan 8.230 nan 0.000 0.431 224 L N -6.389 114.752 121.223 -0.136 0.000 2.720 224 L HA 0.606 4.948 4.340 0.004 0.000 0.261 224 L C -2.750 174.038 176.870 -0.136 0.000 1.046 224 L CA -1.933 52.843 54.840 -0.106 0.000 0.886 224 L CB 0.913 42.938 42.059 -0.056 0.000 1.493 224 L HN -0.369 nan 8.230 nan 0.000 0.407 225 P HA 0.215 nan 4.420 nan 0.000 0.265 225 P C 0.535 177.732 177.300 -0.171 0.000 1.193 225 P CA -0.026 62.981 63.100 -0.155 0.000 0.765 225 P CB 0.683 32.286 31.700 -0.162 0.000 0.823 226 L N 1.912 123.046 121.223 -0.149 0.000 2.217 226 L HA -0.120 4.222 4.340 0.004 0.000 0.211 226 L C 1.947 178.661 176.870 -0.259 0.000 1.107 226 L CA 1.230 56.008 54.840 -0.104 0.000 0.783 226 L CB -0.702 41.333 42.059 -0.041 0.000 0.919 226 L HN 0.416 nan 8.230 nan 0.000 0.442 227 D N -1.102 118.993 120.400 -0.509 0.000 2.144 227 D HA -0.169 4.473 4.640 0.004 0.000 0.200 227 D C 1.845 177.781 176.300 -0.606 0.000 0.978 227 D CA 1.703 55.097 54.000 -1.010 0.000 0.833 227 D CB -0.738 39.557 40.800 -0.842 0.000 0.961 227 D HN 0.123 nan 8.370 nan 0.000 0.470 228 T N 0.154 114.435 114.554 -0.454 0.000 2.708 228 T HA -0.127 4.225 4.350 0.004 0.000 0.266 228 T C 1.519 175.793 174.700 -0.709 0.000 1.037 228 T CA 1.206 62.955 62.100 -0.585 0.000 1.146 228 T CB -0.732 67.780 68.868 -0.593 0.000 0.865 228 T HN 0.188 nan 8.240 nan 0.000 0.435 229 F N 2.398 122.007 119.950 -0.568 0.000 2.091 229 F HA -0.140 4.393 4.527 0.009 0.000 0.299 229 F C 2.462 178.148 175.800 -0.189 0.000 1.103 229 F CA 1.193 58.989 58.000 -0.340 0.000 1.228 229 F CB -0.738 38.134 39.000 -0.214 0.000 0.984 229 F HN 0.152 nan 8.300 nan 0.000 0.477 230 A N 0.470 123.152 122.820 -0.230 0.000 1.908 230 A HA -0.235 4.087 4.320 0.004 0.000 0.218 230 A C 2.386 179.866 177.584 -0.173 0.000 1.181 230 A CA 1.847 53.772 52.037 -0.185 0.000 0.627 230 A CB -0.929 18.037 19.000 -0.056 0.000 0.818 230 A HN 0.515 nan 8.150 nan 0.000 0.445 231 R N -1.603 118.778 120.500 -0.198 0.000 2.073 231 R HA -0.136 4.206 4.340 0.004 0.000 0.234 231 R C 1.788 178.155 176.300 0.112 0.000 1.134 231 R CA 1.793 57.857 56.100 -0.061 0.000 0.952 231 R CB -0.426 29.823 30.300 -0.084 0.000 0.850 231 R HN 0.396 nan 8.270 nan 0.000 0.433 232 F N 1.217 121.115 119.950 -0.086 0.000 2.161 232 F HA -0.187 4.341 4.527 0.000 0.000 0.300 232 F C 2.743 178.512 175.800 -0.053 0.000 1.089 232 F CA 1.546 59.554 58.000 0.014 0.000 1.282 232 F CB -1.187 37.702 39.000 -0.185 0.000 1.010 232 F HN 0.213 nan 8.300 nan 0.000 0.485 233 S N -0.551 115.088 115.700 -0.103 0.000 2.474 233 S HA -0.182 4.291 4.470 0.004 0.000 0.235 233 S C 1.537 176.109 174.600 -0.046 0.000 0.997 233 S CA 0.860 58.950 58.200 -0.183 0.000 0.949 233 S CB -0.588 62.390 63.200 -0.370 0.000 0.766 233 S HN 0.560 nan 8.310 nan 0.000 0.517 234 Q N 0.808 120.612 119.800 0.006 0.000 2.360 234 Q HA 0.264 4.607 4.340 0.004 0.000 0.202 234 Q C -0.103 175.916 176.000 0.032 0.000 0.915 234 Q CA -0.102 55.714 55.803 0.021 0.000 0.943 234 Q CB 0.094 28.846 28.738 0.025 0.000 1.064 234 Q HN 0.447 nan 8.270 nan 0.000 0.511 235 N N 0.936 119.673 118.700 0.061 0.000 2.476 235 N HA 0.132 4.874 4.740 0.004 0.000 0.257 235 N C -2.138 173.326 175.510 -0.077 0.000 0.970 235 N CA -2.146 50.893 53.050 -0.018 0.000 0.938 235 N CB 1.515 39.991 38.487 -0.019 0.000 1.144 235 N HN -0.170 nan 8.380 nan 0.000 0.500 236 P HA -0.086 nan 4.420 nan 0.000 0.223 236 P C 0.795 178.020 177.300 -0.124 0.000 1.144 236 P CA 0.701 63.761 63.100 -0.067 0.000 0.783 236 P CB 0.204 31.872 31.700 -0.053 0.000 0.771 237 A N -2.160 120.479 122.820 -0.302 0.000 2.067 237 A HA -0.076 4.246 4.320 0.004 0.000 0.219 237 A C 0.552 177.965 177.584 -0.284 0.000 1.158 237 A CA 1.017 52.809 52.037 -0.408 0.000 0.661 237 A CB -0.826 17.755 19.000 -0.698 0.000 0.801 237 A HN 0.123 nan 8.150 nan 0.000 0.452 238 Y N -2.357 117.959 120.300 0.027 0.000 2.621 238 Y HA 0.632 5.185 4.550 0.005 0.000 0.334 238 Y C -0.010 175.967 175.900 0.127 0.000 1.074 238 Y CA -2.061 56.094 58.100 0.092 0.000 1.149 238 Y CB 0.693 39.163 38.460 0.018 0.000 1.302 238 Y HN 0.257 nan 8.280 nan 0.000 0.501 239 H N 0.031 119.229 119.070 0.214 0.000 2.529 239 H HA 0.665 5.223 4.556 0.003 0.000 0.348 239 H C -0.989 174.360 175.328 0.034 0.000 1.079 239 H CA -0.617 55.487 56.048 0.094 0.000 1.198 239 H CB 1.373 31.183 29.762 0.079 0.000 1.521 239 H HN 0.723 nan 8.280 nan 0.000 0.514 240 T N 2.184 116.423 114.554 -0.525 0.000 2.907 240 T HA 0.646 4.998 4.350 0.004 0.000 0.292 240 T C -0.685 173.792 174.700 -0.372 0.000 1.043 240 T CA -1.036 60.850 62.100 -0.357 0.000 1.003 240 T CB 2.194 70.803 68.868 -0.432 0.000 1.084 240 T HN 0.662 nan 8.240 nan 0.000 0.483 241 Q N 0.352 120.147 119.800 -0.009 0.000 2.416 241 Q HA 0.709 5.051 4.340 0.004 0.000 0.281 241 Q C -1.950 174.193 176.000 0.238 0.000 1.067 241 Q CA -1.026 54.831 55.803 0.089 0.000 0.809 241 Q CB 3.015 31.803 28.738 0.083 0.000 1.418 241 Q HN 0.667 nan 8.270 nan 0.000 0.411 242 L N 1.229 122.566 121.223 0.189 0.000 2.409 242 L HA 0.516 4.859 4.340 0.004 0.000 0.272 242 L C -0.544 176.321 176.870 -0.009 0.000 0.980 242 L CA -0.145 54.729 54.840 0.058 0.000 0.826 242 L CB 2.135 44.245 42.059 0.085 0.000 1.268 242 L HN 0.819 nan 8.230 nan 0.000 0.407 243 S N 3.215 118.779 115.700 -0.227 0.000 2.634 243 S HA 0.436 4.909 4.470 0.004 0.000 0.261 243 S C 0.012 174.476 174.600 -0.225 0.000 1.271 243 S CA -0.608 57.325 58.200 -0.445 0.000 0.985 243 S CB 0.553 63.126 63.200 -1.045 0.000 0.968 243 S HN 0.726 nan 8.310 nan 0.000 0.568 244 Q N 0.980 120.666 119.800 -0.190 0.000 2.432 244 Q HA 0.235 4.578 4.340 0.004 0.000 0.264 244 Q C -2.278 173.643 176.000 -0.132 0.000 1.035 244 Q CA -1.401 54.334 55.803 -0.114 0.000 0.908 244 Q CB -0.520 28.171 28.738 -0.078 0.000 1.280 244 Q HN 0.478 nan 8.270 nan 0.000 0.455 245 P HA -0.100 nan 4.420 nan 0.000 0.265 245 P C -0.016 177.240 177.300 -0.072 0.000 1.187 245 P CA 0.726 63.792 63.100 -0.056 0.000 0.766 245 P CB 0.300 32.003 31.700 0.005 0.000 0.820 246 I N -0.147 120.391 120.570 -0.053 0.000 4.139 246 I HA 0.362 4.535 4.170 0.004 0.000 0.320 246 I C 0.465 176.588 176.117 0.010 0.000 1.290 246 I CA 0.154 61.436 61.300 -0.030 0.000 1.253 246 I CB 0.211 38.191 38.000 -0.033 0.000 1.122 246 I HN 0.311 nan 8.210 nan 0.000 0.421 247 E N 0.836 121.048 120.200 0.021 0.000 2.427 247 E HA 0.327 4.680 4.350 0.004 0.000 0.279 247 E C -1.393 175.251 176.600 0.074 0.000 1.120 247 E CA -0.808 55.611 56.400 0.033 0.000 0.869 247 E CB 1.141 30.856 29.700 0.025 0.000 1.393 247 E HN -0.053 nan 8.360 nan 0.000 0.443 248 T N 0.838 115.402 114.554 0.017 0.000 2.829 248 T HA 0.488 4.840 4.350 0.004 0.000 0.282 248 T C -0.405 174.233 174.700 -0.103 0.000 0.990 248 T CA -0.557 61.556 62.100 0.020 0.000 1.028 248 T CB 1.373 70.207 68.868 -0.058 0.000 0.951 248 T HN 0.315 nan 8.240 nan 0.000 0.460 249 V N 5.317 125.176 119.914 -0.091 0.000 2.483 249 V HA 0.726 4.848 4.120 0.004 0.000 0.295 249 V C 0.080 176.143 176.094 -0.051 0.000 1.035 249 V CA -0.665 61.596 62.300 -0.065 0.000 0.896 249 V CB 1.236 33.027 31.823 -0.053 0.000 0.986 249 V HN 0.944 nan 8.190 nan 0.000 0.447 250 M N 4.387 124.001 119.600 0.024 0.000 2.813 250 M HA 0.668 5.151 4.480 0.004 0.000 0.270 250 M C -2.161 174.212 176.300 0.121 0.000 1.267 250 M CA -0.854 54.473 55.300 0.045 0.000 0.822 250 M CB 2.287 34.890 32.600 0.005 0.000 1.671 250 M HN 0.284 nan 8.290 nan 0.000 0.468 251 L N 1.815 123.071 121.223 0.056 0.000 2.334 251 L HA 0.783 5.125 4.340 0.004 0.000 0.277 251 L C 0.085 177.025 176.870 0.118 0.000 1.075 251 L CA -0.817 54.010 54.840 -0.021 0.000 0.804 251 L CB 1.615 43.587 42.059 -0.146 0.000 1.174 251 L HN 0.908 nan 8.230 nan 0.000 0.438 252 A N 4.535 127.405 122.820 0.083 0.000 2.292 252 A HA 0.711 5.033 4.320 0.004 0.000 0.319 252 A C -0.575 177.015 177.584 0.009 0.000 1.206 252 A CA -0.513 51.572 52.037 0.079 0.000 0.835 252 A CB 0.497 19.528 19.000 0.053 0.000 1.164 252 A HN 0.646 nan 8.150 nan 0.000 0.505 253 L N 2.404 123.595 121.223 -0.053 0.000 2.295 253 L HA 0.345 4.687 4.340 0.004 0.000 0.285 253 L C 0.218 177.086 176.870 -0.004 0.000 1.035 253 L CA -0.937 53.889 54.840 -0.023 0.000 0.806 253 L CB 1.229 43.231 42.059 -0.096 0.000 1.214 253 L HN 0.684 nan 8.230 nan 0.000 0.426 254 N N 1.556 120.265 118.700 0.016 0.000 2.415 254 N HA 0.011 4.753 4.740 0.004 0.000 0.250 254 N C 1.072 176.488 175.510 -0.157 0.000 1.127 254 N CA -0.062 52.898 53.050 -0.150 0.000 0.945 254 N CB 1.134 39.361 38.487 -0.434 0.000 1.196 254 N HN 0.724 nan 8.380 nan 0.000 0.499 255 T N 0.081 114.545 114.554 -0.150 0.000 3.113 255 T HA 0.024 4.377 4.350 0.004 0.000 0.263 255 T C 1.202 175.828 174.700 -0.124 0.000 1.143 255 T CA 0.728 62.751 62.100 -0.128 0.000 1.090 255 T CB 0.082 68.873 68.868 -0.129 0.000 0.922 255 T HN 0.357 nan 8.240 nan 0.000 0.521 256 A N 0.110 122.835 122.820 -0.157 0.000 2.348 256 A HA 0.432 4.754 4.320 0.004 0.000 0.224 256 A C 0.723 178.227 177.584 -0.134 0.000 1.227 256 A CA -0.400 51.553 52.037 -0.141 0.000 0.885 256 A CB 0.089 18.994 19.000 -0.158 0.000 0.933 256 A HN 0.433 nan 8.150 nan 0.000 0.506 257 K N 0.580 120.895 120.400 -0.142 0.000 2.397 257 K HA 0.633 4.955 4.320 0.004 0.000 0.253 257 K C -0.468 176.088 176.600 -0.074 0.000 0.932 257 K CA -0.577 55.638 56.287 -0.119 0.000 0.795 257 K CB 1.782 34.178 32.500 -0.173 0.000 1.159 257 K HN 0.157 nan 8.250 nan 0.000 0.424 258 A N 4.303 127.102 122.820 -0.035 0.000 2.498 258 A HA 0.218 4.541 4.320 0.004 0.000 0.239 258 A C -1.715 175.861 177.584 -0.013 0.000 1.068 258 A CA -0.805 51.237 52.037 0.008 0.000 0.766 258 A CB -0.071 18.958 19.000 0.049 0.000 1.003 258 A HN 0.676 nan 8.150 nan 0.000 0.497 259 P HA 0.022 nan 4.420 nan 0.000 0.261 259 P C 0.932 178.196 177.300 -0.060 0.000 1.268 259 P CA 0.847 63.942 63.100 -0.008 0.000 0.833 259 P CB -0.102 31.494 31.700 -0.173 0.000 1.231 260 T N -2.180 112.325 114.554 -0.082 0.000 3.163 260 T HA -0.094 4.259 4.350 0.004 0.000 0.260 260 T C 1.511 176.169 174.700 -0.070 0.000 1.156 260 T CA 0.503 62.550 62.100 -0.089 0.000 1.072 260 T CB -1.036 67.777 68.868 -0.092 0.000 0.937 260 T HN 0.161 nan 8.240 nan 0.000 0.528 261 N N 1.725 120.396 118.700 -0.048 0.000 2.381 261 N HA -0.108 4.635 4.740 0.004 0.000 0.182 261 N C 0.189 175.691 175.510 -0.014 0.000 1.025 261 N CA 0.451 53.477 53.050 -0.039 0.000 0.888 261 N CB -0.277 38.194 38.487 -0.027 0.000 0.965 261 N HN 0.571 nan 8.380 nan 0.000 0.438 262 E N 0.585 120.795 120.200 0.016 0.000 2.223 262 E HA 0.064 4.417 4.350 0.004 0.000 0.282 262 E C 0.780 177.387 176.600 0.011 0.000 1.046 262 E CA -0.514 55.914 56.400 0.047 0.000 0.857 262 E CB 1.783 31.568 29.700 0.141 0.000 1.055 262 E HN 0.039 nan 8.360 nan 0.000 0.409 263 L N 4.450 125.678 121.223 0.008 0.000 2.043 263 L HA -0.262 4.081 4.340 0.004 0.000 0.212 263 L C 2.053 178.926 176.870 0.004 0.000 1.075 263 L CA 2.524 57.360 54.840 -0.006 0.000 0.752 263 L CB -0.557 41.502 42.059 -0.001 0.000 0.891 263 L HN 0.710 nan 8.230 nan 0.000 0.432 264 A N -1.352 121.491 122.820 0.038 0.000 1.933 264 A HA -0.146 4.177 4.320 0.004 0.000 0.218 264 A C 2.270 179.867 177.584 0.022 0.000 1.175 264 A CA 1.957 54.027 52.037 0.055 0.000 0.628 264 A CB -1.069 17.991 19.000 0.100 0.000 0.814 264 A HN 0.337 nan 8.150 nan 0.000 0.444 265 V N 0.026 119.930 119.914 -0.017 0.000 2.307 265 V HA -0.255 3.868 4.120 0.004 0.000 0.245 265 V C 2.645 178.681 176.094 -0.098 0.000 1.045 265 V CA 2.197 64.425 62.300 -0.120 0.000 1.024 265 V CB -0.777 30.918 31.823 -0.212 0.000 0.651 265 V HN 0.539 nan 8.190 nan 0.000 0.449 266 R N -0.156 120.297 120.500 -0.078 0.000 2.081 266 R HA -0.160 4.183 4.340 0.004 0.000 0.235 266 R C 2.280 178.528 176.300 -0.087 0.000 1.131 266 R CA 1.605 57.651 56.100 -0.090 0.000 0.960 266 R CB -0.316 29.926 30.300 -0.095 0.000 0.856 266 R HN 0.619 nan 8.270 nan 0.000 0.436 267 E N 0.714 120.880 120.200 -0.057 0.000 2.077 267 E HA -0.170 4.182 4.350 0.004 0.000 0.193 267 E C 2.114 178.734 176.600 0.033 0.000 0.989 267 E CA 1.151 57.523 56.400 -0.048 0.000 0.800 267 E CB -0.124 29.599 29.700 0.038 0.000 0.746 267 E HN 0.348 nan 8.360 nan 0.000 0.452 268 A N 1.427 124.291 122.820 0.073 0.000 1.883 268 A HA -0.189 4.134 4.320 0.004 0.000 0.217 268 A C 2.230 179.845 177.584 0.051 0.000 1.186 268 A CA 1.184 53.282 52.037 0.102 0.000 0.624 268 A CB -0.770 18.244 19.000 0.023 0.000 0.822 268 A HN 0.137 nan 8.150 nan 0.000 0.444 269 L N -0.283 120.924 121.223 -0.027 0.000 2.042 269 L HA -0.231 4.112 4.340 0.004 0.000 0.210 269 L C 2.265 179.111 176.870 -0.039 0.000 1.076 269 L CA 1.470 56.284 54.840 -0.044 0.000 0.749 269 L CB -0.758 41.252 42.059 -0.081 0.000 0.893 269 L HN 0.452 nan 8.230 nan 0.000 0.432 270 N N -0.874 117.769 118.700 -0.095 0.000 2.453 270 N HA -0.161 4.581 4.740 0.004 0.000 0.183 270 N C 1.520 176.924 175.510 -0.177 0.000 1.041 270 N CA 1.160 54.106 53.050 -0.173 0.000 0.900 270 N CB 0.095 38.403 38.487 -0.298 0.000 0.961 270 N HN 0.364 nan 8.380 nan 0.000 0.443 271 Y N 0.091 120.391 120.300 -0.000 0.000 2.478 271 Y HA 0.264 4.816 4.550 0.004 0.000 0.261 271 Y C 2.047 177.982 175.900 0.058 0.000 1.127 271 Y CA -0.163 57.946 58.100 0.014 0.000 1.288 271 Y CB 0.054 38.499 38.460 -0.024 0.000 1.084 271 Y HN -0.019 nan 8.280 nan 0.000 0.530 272 A N -0.516 122.421 122.820 0.195 0.000 2.072 272 A HA 0.160 4.483 4.320 0.004 0.000 0.216 272 A C 0.710 178.452 177.584 0.264 0.000 1.156 272 A CA 0.352 52.501 52.037 0.187 0.000 0.701 272 A CB -0.414 18.639 19.000 0.088 0.000 0.816 272 A HN -0.001 nan 8.150 nan 0.000 0.458 273 V N 1.989 122.011 119.914 0.180 0.000 2.432 273 V HA 0.160 4.283 4.120 0.004 0.000 0.275 273 V C -0.065 176.005 176.094 -0.040 0.000 1.043 273 V CA -0.802 61.528 62.300 0.051 0.000 0.925 273 V CB 1.113 32.929 31.823 -0.013 0.000 0.985 273 V HN 0.466 nan 8.190 nan 0.000 0.466 274 N N 4.448 122.903 118.700 -0.408 0.000 2.482 274 N HA 0.164 4.906 4.740 0.004 0.000 0.242 274 N C 0.944 176.268 175.510 -0.310 0.000 1.100 274 N CA 0.000 52.618 53.050 -0.720 0.000 0.946 274 N CB 0.705 38.508 38.487 -1.140 0.000 1.227 274 N HN 0.593 nan 8.380 nan 0.000 0.508 275 K N 2.366 122.661 120.400 -0.175 0.000 2.057 275 K HA -0.103 4.219 4.320 0.004 0.000 0.206 275 K C 1.381 177.907 176.600 -0.123 0.000 1.050 275 K CA 1.238 57.451 56.287 -0.123 0.000 0.935 275 K CB 0.268 32.713 32.500 -0.092 0.000 0.715 275 K HN 0.320 nan 8.250 nan 0.000 0.439 276 K N 0.645 120.975 120.400 -0.117 0.000 2.032 276 K HA -0.127 4.196 4.320 0.004 0.000 0.209 276 K C 2.348 178.879 176.600 -0.115 0.000 1.048 276 K CA 1.589 57.817 56.287 -0.098 0.000 0.927 276 K CB -0.360 32.096 32.500 -0.073 0.000 0.712 276 K HN -0.023 nan 8.250 nan 0.000 0.441 277 S N 0.493 116.102 115.700 -0.152 0.000 2.382 277 S HA -0.067 4.406 4.470 0.004 0.000 0.228 277 S C 1.815 176.340 174.600 -0.126 0.000 1.027 277 S CA 0.895 59.009 58.200 -0.144 0.000 0.991 277 S CB -0.236 62.856 63.200 -0.180 0.000 0.823 277 S HN 0.324 nan 8.310 nan 0.000 0.469 278 L N 0.797 121.941 121.223 -0.131 0.000 2.017 278 L HA -0.055 4.288 4.340 0.004 0.000 0.208 278 L C 2.146 178.962 176.870 -0.091 0.000 1.073 278 L CA 1.672 56.449 54.840 -0.105 0.000 0.745 278 L CB -0.330 41.670 42.059 -0.099 0.000 0.894 278 L HN 0.378 nan 8.230 nan 0.000 0.432 279 I N -0.119 120.395 120.570 -0.092 0.000 2.226 279 I HA -0.299 3.873 4.170 0.004 0.000 0.245 279 I C 2.009 178.082 176.117 -0.074 0.000 1.100 279 I CA 1.242 62.494 61.300 -0.080 0.000 1.374 279 I CB -0.519 37.433 38.000 -0.080 0.000 1.057 279 I HN 0.327 nan 8.210 nan 0.000 0.413 280 D N 0.740 121.085 120.400 -0.092 0.000 2.144 280 D HA -0.152 4.490 4.640 0.004 0.000 0.199 280 D C 1.880 178.114 176.300 -0.110 0.000 0.984 280 D CA 1.177 55.106 54.000 -0.118 0.000 0.834 280 D CB -0.328 40.397 40.800 -0.125 0.000 0.955 280 D HN 0.347 nan 8.370 nan 0.000 0.465 281 N N -0.298 118.353 118.700 -0.081 0.000 2.368 281 N HA 0.052 4.795 4.740 0.004 0.000 0.176 281 N C 1.439 176.934 175.510 -0.026 0.000 1.021 281 N CA 0.707 53.724 53.050 -0.055 0.000 0.888 281 N CB 0.447 38.896 38.487 -0.062 0.000 0.995 281 N HN 0.080 nan 8.380 nan 0.000 0.437 282 A N -0.214 122.581 122.820 -0.042 0.000 2.085 282 A HA 0.249 4.572 4.320 0.004 0.000 0.208 282 A C 1.346 178.909 177.584 -0.034 0.000 1.191 282 A CA 0.288 52.295 52.037 -0.049 0.000 0.799 282 A CB 0.372 19.321 19.000 -0.085 0.000 0.877 282 A HN 0.067 nan 8.150 nan 0.000 0.473 283 L N -2.020 119.192 121.223 -0.019 0.000 2.959 283 L HA 0.231 4.573 4.340 0.004 0.000 0.259 283 L C 0.193 177.116 176.870 0.087 0.000 1.185 283 L CA 0.026 54.861 54.840 -0.009 0.000 0.998 283 L CB -1.228 40.799 42.059 -0.053 0.000 1.337 283 L HN 0.537 nan 8.230 nan 0.000 0.555 284 Y N 2.124 122.390 120.300 -0.057 0.000 3.396 284 Y HA -0.276 4.274 4.550 -0.001 0.000 0.214 284 Y C 1.414 177.300 175.900 -0.023 0.000 1.203 284 Y CA 0.875 58.954 58.100 -0.035 0.000 1.401 284 Y CB -1.129 37.318 38.460 -0.023 0.000 1.409 284 Y HN 0.520 nan 8.280 nan 0.000 0.594 285 G N -0.383 108.395 108.800 -0.037 0.000 2.179 285 G HA2 -0.395 3.567 3.960 0.004 0.000 0.257 285 G HA3 -0.395 3.567 3.960 0.004 0.000 0.257 285 G C 0.867 175.771 174.900 0.008 0.000 1.010 285 G CA 1.091 46.162 45.100 -0.050 0.000 0.736 285 G HN 1.326 nan 8.290 nan 0.000 0.513 286 T N -3.717 110.861 114.554 0.040 0.000 3.057 286 T HA 0.374 4.727 4.350 0.004 0.000 0.254 286 T C 0.982 175.680 174.700 -0.004 0.000 1.094 286 T CA 1.172 63.301 62.100 0.049 0.000 1.088 286 T CB 0.426 69.335 68.868 0.068 0.000 0.934 286 T HN 0.401 nan 8.240 nan 0.000 0.497 287 Q N 0.685 120.468 119.800 -0.028 0.000 2.385 287 Q HA 0.481 4.824 4.340 0.004 0.000 0.262 287 Q C -0.928 175.055 176.000 -0.029 0.000 1.050 287 Q CA -0.735 55.044 55.803 -0.040 0.000 0.903 287 Q CB 1.500 30.198 28.738 -0.066 0.000 1.325 287 Q HN 0.483 nan 8.270 nan 0.000 0.485 288 Q N 0.286 120.077 119.800 -0.015 0.000 2.266 288 Q HA 0.434 4.777 4.340 0.004 0.000 0.261 288 Q C -0.933 175.013 176.000 -0.089 0.000 0.985 288 Q CA -0.592 55.210 55.803 -0.001 0.000 0.873 288 Q CB 1.709 30.506 28.738 0.098 0.000 1.306 288 Q HN 0.395 nan 8.270 nan 0.000 0.447 289 V N 2.407 122.267 119.914 -0.091 0.000 2.585 289 V HA 0.256 4.379 4.120 0.004 0.000 0.296 289 V C 0.055 175.950 176.094 -0.332 0.000 1.035 289 V CA 0.172 62.371 62.300 -0.167 0.000 1.084 289 V CB 0.689 32.459 31.823 -0.089 0.000 0.953 289 V HN 0.801 nan 8.190 nan 0.000 0.483 290 A N 3.577 126.066 122.820 -0.552 0.000 2.288 290 A HA 0.557 4.879 4.320 0.004 0.000 0.320 290 A C 0.452 177.844 177.584 -0.319 0.000 1.217 290 A CA -0.600 50.881 52.037 -0.927 0.000 0.840 290 A CB 0.534 18.803 19.000 -1.218 0.000 1.179 290 A HN 0.853 nan 8.150 nan 0.000 0.504 291 D N 0.875 121.222 120.400 -0.088 0.000 2.380 291 D HA 0.059 4.702 4.640 0.004 0.000 0.212 291 D C 0.520 176.899 176.300 0.132 0.000 1.021 291 D CA 1.553 55.579 54.000 0.043 0.000 0.884 291 D CB 0.556 41.410 40.800 0.090 0.000 1.001 291 D HN 0.680 nan 8.370 nan 0.000 0.506 292 T N -1.515 113.135 114.554 0.160 0.000 2.906 292 T HA 0.295 4.647 4.350 0.004 0.000 0.295 292 T C 0.933 175.695 174.700 0.103 0.000 1.075 292 T CA -0.793 61.408 62.100 0.169 0.000 1.005 292 T CB 2.396 71.317 68.868 0.089 0.000 1.136 292 T HN -0.190 nan 8.240 nan 0.000 0.498 293 L N 0.489 121.703 121.223 -0.015 0.000 2.034 293 L HA 0.149 4.492 4.340 0.004 0.000 0.217 293 L C -0.042 176.507 176.870 -0.534 0.000 1.077 293 L CA 1.800 56.413 54.840 -0.378 0.000 0.769 293 L CB -0.770 40.966 42.059 -0.539 0.000 0.890 293 L HN 0.717 nan 8.230 nan 0.000 0.435 294 F N -0.468 119.475 119.950 -0.012 0.000 2.469 294 F HA 0.614 5.143 4.527 0.004 0.000 0.332 294 F C 0.777 176.513 175.800 -0.106 0.000 1.103 294 F CA -0.818 57.135 58.000 -0.079 0.000 0.979 294 F CB 0.735 39.669 39.000 -0.110 0.000 1.137 294 F HN -0.002 nan 8.300 nan 0.000 0.463 295 A N 3.989 126.665 122.820 -0.240 0.000 2.520 295 A HA 0.192 4.515 4.320 0.004 0.000 0.235 295 A C -1.730 175.727 177.584 -0.213 0.000 1.065 295 A CA -0.921 50.743 52.037 -0.621 0.000 0.764 295 A CB -0.206 18.127 19.000 -1.112 0.000 1.002 295 A HN 0.632 nan 8.150 nan 0.000 0.502 296 P HA -0.132 nan 4.420 nan 0.000 0.223 296 P C 1.369 178.609 177.300 -0.099 0.000 1.144 296 P CA 1.737 64.790 63.100 -0.077 0.000 0.783 296 P CB 0.055 31.727 31.700 -0.046 0.000 0.771 297 S N -2.234 113.382 115.700 -0.140 0.000 2.522 297 S HA 0.020 4.492 4.470 0.004 0.000 0.227 297 S C 0.861 175.384 174.600 -0.129 0.000 0.986 297 S CA -0.055 58.071 58.200 -0.124 0.000 0.929 297 S CB -1.114 62.010 63.200 -0.126 0.000 0.769 297 S HN -0.124 nan 8.310 nan 0.000 0.529 298 V N 4.102 123.931 119.914 -0.141 0.000 2.655 298 V HA 0.223 4.345 4.120 0.004 0.000 0.300 298 V C -2.161 173.815 176.094 -0.196 0.000 1.044 298 V CA -1.718 60.486 62.300 -0.159 0.000 1.095 298 V CB 0.139 31.858 31.823 -0.172 0.000 0.952 298 V HN 0.241 nan 8.190 nan 0.000 0.485 299 P HA 0.028 nan 4.420 nan 0.000 0.264 299 P C -0.325 176.783 177.300 -0.320 0.000 1.183 299 P CA 0.540 63.434 63.100 -0.344 0.000 0.763 299 P CB -0.057 31.463 31.700 -0.301 0.000 0.807 300 Y N 0.606 120.764 120.300 -0.236 0.000 4.929 300 Y HA -0.290 4.262 4.550 0.005 0.000 0.253 300 Y C 1.473 177.260 175.900 -0.189 0.000 0.946 300 Y CA 1.131 59.074 58.100 -0.263 0.000 1.905 300 Y CB -2.588 35.488 38.460 -0.639 0.000 1.400 300 Y HN 0.482 nan 8.280 nan 0.000 0.531 301 A N -0.420 122.364 122.820 -0.059 0.000 2.390 301 A HA 0.193 4.516 4.320 0.004 0.000 0.232 301 A C 0.894 178.480 177.584 0.002 0.000 1.233 301 A CA 0.161 52.193 52.037 -0.009 0.000 0.907 301 A CB -0.030 18.962 19.000 -0.013 0.000 0.967 301 A HN 0.429 nan 8.150 nan 0.000 0.512 302 N N 1.327 120.017 118.700 -0.017 0.000 2.663 302 N HA 0.305 5.048 4.740 0.004 0.000 0.250 302 N C -0.055 175.459 175.510 0.007 0.000 1.129 302 N CA -0.084 52.957 53.050 -0.015 0.000 0.995 302 N CB 0.278 38.746 38.487 -0.031 0.000 1.324 302 N HN 0.365 nan 8.380 nan 0.000 0.512 303 L N 1.411 122.640 121.223 0.011 0.000 2.858 303 L HA 0.296 4.638 4.340 0.004 0.000 0.251 303 L C 1.333 178.207 176.870 0.007 0.000 1.149 303 L CA -0.092 54.761 54.840 0.022 0.000 0.955 303 L CB 0.342 42.422 42.059 0.036 0.000 1.289 303 L HN 0.557 nan 8.230 nan 0.000 0.542 304 G N 1.756 110.554 108.800 -0.004 0.000 2.283 304 G HA2 -0.290 3.672 3.960 0.004 0.000 0.280 304 G HA3 -0.290 3.672 3.960 0.004 0.000 0.280 304 G C 0.268 175.155 174.900 -0.020 0.000 1.029 304 G CA 0.010 45.107 45.100 -0.005 0.000 0.840 304 G HN 0.253 nan 8.290 nan 0.000 0.505 305 L N -0.571 120.607 121.223 -0.075 0.000 2.514 305 L HA 0.151 4.494 4.340 0.004 0.000 0.280 305 L C 1.320 178.133 176.870 -0.094 0.000 1.223 305 L CA 0.145 54.886 54.840 -0.166 0.000 0.864 305 L CB 0.517 42.278 42.059 -0.496 0.000 1.118 305 L HN 0.217 nan 8.230 nan 0.000 0.494 306 K N 5.089 125.504 120.400 0.024 0.000 2.349 306 K HA 0.207 4.529 4.320 0.004 0.000 0.289 306 K C -2.167 174.564 176.600 0.218 0.000 1.064 306 K CA -1.481 54.879 56.287 0.122 0.000 0.947 306 K CB 0.663 33.254 32.500 0.151 0.000 1.007 306 K HN 0.252 nan 8.250 nan 0.000 0.478 307 P HA 0.043 nan 4.420 nan 0.000 0.274 307 P C -0.998 176.370 177.300 0.113 0.000 1.231 307 P CA -0.373 62.816 63.100 0.149 0.000 0.790 307 P CB 1.041 32.800 31.700 0.099 0.000 0.951 308 S N 1.745 117.452 115.700 0.012 0.000 2.695 308 S HA 0.168 4.641 4.470 0.004 0.000 0.275 308 S C 0.171 174.769 174.600 -0.003 0.000 1.203 308 S CA -0.494 57.606 58.200 -0.166 0.000 1.061 308 S CB -0.204 62.629 63.200 -0.611 0.000 1.152 308 S HN 0.352 nan 8.310 nan 0.000 0.495 309 Q N 1.151 121.053 119.800 0.170 0.000 2.651 309 Q HA 0.134 4.477 4.340 0.004 0.000 0.224 309 Q C -0.164 176.006 176.000 0.282 0.000 1.094 309 Q CA -0.297 55.623 55.803 0.195 0.000 1.018 309 Q CB 0.012 28.851 28.738 0.169 0.000 1.292 309 Q HN 0.594 nan 8.270 nan 0.000 0.588 310 Y N 1.051 121.412 120.300 0.101 0.000 2.587 310 Y HA 0.260 4.813 4.550 0.005 0.000 0.344 310 Y C -0.865 175.090 175.900 0.091 0.000 1.061 310 Y CA -0.233 57.920 58.100 0.089 0.000 1.370 310 Y CB 0.278 38.761 38.460 0.038 0.000 1.163 310 Y HN 0.630 nan 8.280 nan 0.000 0.527 311 D N 8.654 128.903 120.400 -0.252 0.000 2.584 311 D HA 0.223 4.866 4.640 0.004 0.000 0.238 311 D C -2.495 173.625 176.300 -0.300 0.000 1.302 311 D CA -1.598 52.200 54.000 -0.338 0.000 0.884 311 D CB 1.449 42.114 40.800 -0.224 0.000 1.456 311 D HN 0.257 nan 8.370 nan 0.000 0.528 312 P HA -0.099 nan 4.420 nan 0.000 0.220 312 P C 1.199 178.412 177.300 -0.146 0.000 1.148 312 P CA 1.091 64.077 63.100 -0.189 0.000 0.803 312 P CB 0.600 32.199 31.700 -0.168 0.000 0.782 313 Q N 0.072 119.765 119.800 -0.178 0.000 2.020 313 Q HA -0.140 4.203 4.340 0.004 0.000 0.202 313 Q C 2.136 178.038 176.000 -0.163 0.000 0.982 313 Q CA 1.564 57.281 55.803 -0.143 0.000 0.838 313 Q CB -0.642 28.014 28.738 -0.137 0.000 0.899 313 Q HN 0.222 nan 8.270 nan 0.000 0.423 314 K N 0.111 120.356 120.400 -0.257 0.000 2.103 314 K HA -0.125 4.197 4.320 0.004 0.000 0.207 314 K C 2.106 178.557 176.600 -0.248 0.000 1.048 314 K CA 1.103 57.178 56.287 -0.354 0.000 0.930 314 K CB -0.229 31.819 32.500 -0.753 0.000 0.716 314 K HN 0.226 nan 8.250 nan 0.000 0.444 315 A N 1.868 124.592 122.820 -0.160 0.000 1.858 315 A HA -0.205 4.118 4.320 0.004 0.000 0.216 315 A C 1.894 179.470 177.584 -0.013 0.000 1.190 315 A CA 1.594 53.626 52.037 -0.009 0.000 0.617 315 A CB -0.310 18.719 19.000 0.048 0.000 0.827 315 A HN 0.203 nan 8.150 nan 0.000 0.443 316 K N -0.273 120.108 120.400 -0.032 0.000 2.097 316 K HA -0.053 4.269 4.320 0.004 0.000 0.206 316 K C 2.295 178.893 176.600 -0.004 0.000 1.049 316 K CA 1.077 57.358 56.287 -0.010 0.000 0.933 316 K CB -0.332 32.157 32.500 -0.019 0.000 0.717 316 K HN 0.445 nan 8.250 nan 0.000 0.442 317 A N 1.551 124.350 122.820 -0.034 0.000 1.877 317 A HA -0.131 4.191 4.320 0.004 0.000 0.216 317 A C 2.152 179.733 177.584 -0.005 0.000 1.186 317 A CA 1.211 53.230 52.037 -0.030 0.000 0.620 317 A CB -0.631 18.330 19.000 -0.064 0.000 0.822 317 A HN 0.153 nan 8.150 nan 0.000 0.443 318 L N -1.078 120.143 121.223 -0.004 0.000 2.046 318 L HA -0.170 4.173 4.340 0.004 0.000 0.208 318 L C 2.443 179.358 176.870 0.074 0.000 1.077 318 L CA 0.688 55.550 54.840 0.036 0.000 0.747 318 L CB -0.360 41.734 42.059 0.058 0.000 0.896 318 L HN 0.296 nan 8.230 nan 0.000 0.432 319 L N -0.568 120.701 121.223 0.078 0.000 2.093 319 L HA -0.155 4.188 4.340 0.004 0.000 0.208 319 L C 2.640 179.623 176.870 0.189 0.000 1.085 319 L CA 1.589 56.518 54.840 0.148 0.000 0.755 319 L CB -0.977 41.141 42.059 0.097 0.000 0.904 319 L HN 0.234 nan 8.230 nan 0.000 0.435 320 E N -0.162 120.102 120.200 0.107 0.000 2.038 320 E HA -0.261 4.092 4.350 0.004 0.000 0.195 320 E C 2.211 178.846 176.600 0.059 0.000 1.000 320 E CA 1.093 57.538 56.400 0.076 0.000 0.803 320 E CB -0.127 29.595 29.700 0.038 0.000 0.750 320 E HN 0.283 nan 8.360 nan 0.000 0.448 321 K N 0.657 121.087 120.400 0.050 0.000 2.160 321 K HA -0.113 4.209 4.320 0.004 0.000 0.206 321 K C 1.811 178.438 176.600 0.045 0.000 1.047 321 K CA 1.294 57.603 56.287 0.036 0.000 0.930 321 K CB -0.238 32.281 32.500 0.032 0.000 0.720 321 K HN 0.121 nan 8.250 nan 0.000 0.450 322 A N -0.721 122.157 122.820 0.096 0.000 2.206 322 A HA 0.203 4.526 4.320 0.004 0.000 0.211 322 A C 1.382 178.965 177.584 -0.002 0.000 1.158 322 A CA 0.944 53.052 52.037 0.120 0.000 0.761 322 A CB -0.411 18.771 19.000 0.304 0.000 0.801 322 A HN 0.402 nan 8.150 nan 0.000 0.473 323 G N -2.943 105.837 108.800 -0.032 0.000 2.141 323 G HA2 -0.257 3.705 3.960 0.004 0.000 0.242 323 G HA3 -0.257 3.705 3.960 0.004 0.000 0.242 323 G C -0.234 174.499 174.900 -0.278 0.000 0.982 323 G CA 0.003 45.002 45.100 -0.169 0.000 0.662 323 G HN 0.457 nan 8.290 nan 0.000 0.527 324 W N 1.119 122.413 121.300 -0.009 0.000 2.360 324 W HA 0.630 5.293 4.660 0.005 0.000 0.344 324 W C 0.645 177.159 176.519 -0.008 0.000 1.025 324 W CA -0.109 57.231 57.345 -0.008 0.000 1.480 324 W CB 1.215 30.671 29.460 -0.007 0.000 1.350 324 W HN 0.113 nan 8.180 nan 0.000 0.382 325 T N 3.666 118.306 114.554 0.143 0.000 2.912 325 T HA 0.530 4.882 4.350 0.004 0.000 0.288 325 T C -0.462 174.290 174.700 0.086 0.000 1.030 325 T CA -0.733 61.417 62.100 0.084 0.000 1.020 325 T CB 0.750 69.630 68.868 0.019 0.000 1.056 325 T HN 0.134 nan 8.240 nan 0.000 0.480 326 L N 5.435 126.695 121.223 0.062 0.000 2.325 326 L HA 0.331 4.674 4.340 0.004 0.000 0.284 326 L C -1.819 175.071 176.870 0.034 0.000 1.089 326 L CA -1.731 53.140 54.840 0.051 0.000 0.836 326 L CB 0.733 42.815 42.059 0.040 0.000 1.184 326 L HN 0.526 nan 8.230 nan 0.000 0.444 327 P HA 0.129 nan 4.420 nan 0.000 0.272 327 P C -0.589 176.721 177.300 0.016 0.000 1.230 327 P CA -0.503 62.609 63.100 0.021 0.000 0.788 327 P CB 0.707 32.421 31.700 0.023 0.000 0.949 328 A N 1.651 124.477 122.820 0.010 0.000 2.451 328 A HA 0.470 4.792 4.320 0.004 0.000 0.266 328 A C 1.049 178.638 177.584 0.009 0.000 1.119 328 A CA 0.269 52.311 52.037 0.008 0.000 0.786 328 A CB -0.690 18.313 19.000 0.004 0.000 1.061 328 A HN 0.649 nan 8.150 nan 0.000 0.503 329 G N 2.791 111.597 108.800 0.009 0.000 4.644 329 G HA2 0.357 4.320 3.960 0.004 0.000 0.307 329 G HA3 0.357 4.320 3.960 0.004 0.000 0.307 329 G C 0.200 175.108 174.900 0.013 0.000 1.331 329 G CA -0.435 44.671 45.100 0.010 0.000 1.059 329 G HN 0.691 nan 8.290 nan 0.000 0.590 330 K N -0.384 120.026 120.400 0.017 0.000 2.276 330 K HA 0.196 4.518 4.320 0.004 0.000 0.259 330 K C 0.345 176.959 176.600 0.024 0.000 1.001 330 K CA -0.117 56.182 56.287 0.021 0.000 0.927 330 K CB 1.224 33.740 32.500 0.026 0.000 0.969 330 K HN 0.001 nan 8.250 nan 0.000 0.490 331 D N 0.206 120.620 120.400 0.023 0.000 2.346 331 D HA 0.074 4.716 4.640 0.004 0.000 0.206 331 D C -0.364 175.952 176.300 0.027 0.000 1.001 331 D CA 0.424 54.437 54.000 0.022 0.000 0.871 331 D CB 0.417 41.227 40.800 0.017 0.000 0.943 331 D HN 0.183 nan 8.370 nan 0.000 0.518 332 I N 1.717 122.308 120.570 0.034 0.000 2.354 332 I HA 0.283 4.456 4.170 0.004 0.000 0.292 332 I C 0.477 176.639 176.117 0.075 0.000 0.989 332 I CA -0.742 60.582 61.300 0.041 0.000 1.188 332 I CB 1.273 39.292 38.000 0.033 0.000 1.342 332 I HN -0.131 nan 8.210 nan 0.000 0.457 333 R N 4.073 124.633 120.500 0.100 0.000 2.756 333 R HA 0.211 4.554 4.340 0.004 0.000 0.264 333 R C -0.240 176.235 176.300 0.292 0.000 1.026 333 R CA 0.153 56.368 56.100 0.192 0.000 1.121 333 R CB 0.641 31.090 30.300 0.249 0.000 0.999 333 R HN 0.555 nan 8.270 nan 0.000 0.449 334 E N 0.477 120.847 120.200 0.282 0.000 2.367 334 E HA 0.328 4.680 4.350 0.004 0.000 0.273 334 E C -1.282 175.289 176.600 -0.048 0.000 0.903 334 E CA -0.920 55.607 56.400 0.211 0.000 0.764 334 E CB 2.617 32.368 29.700 0.085 0.000 1.252 334 E HN 0.305 nan 8.360 nan 0.000 0.446 335 K N 1.754 121.935 120.400 -0.366 0.000 2.535 335 K HA 0.262 4.585 4.320 0.004 0.000 0.251 335 K C -1.111 175.232 176.600 -0.428 0.000 0.942 335 K CA -0.391 55.470 56.287 -0.709 0.000 0.798 335 K CB 0.856 32.277 32.500 -1.799 0.000 1.267 335 K HN 0.700 nan 8.250 nan 0.000 0.434 336 N N 3.057 121.585 118.700 -0.287 0.000 2.707 336 N HA -0.293 4.449 4.740 0.004 0.000 0.253 336 N C 0.530 175.974 175.510 -0.110 0.000 0.998 336 N CA 0.663 53.608 53.050 -0.175 0.000 0.751 336 N CB -0.837 37.546 38.487 -0.172 0.000 0.920 336 N HN 1.071 nan 8.380 nan 0.000 0.539 337 G N -1.633 107.116 108.800 -0.086 0.000 2.268 337 G HA2 -0.330 3.632 3.960 0.004 0.000 0.240 337 G HA3 -0.330 3.632 3.960 0.004 0.000 0.240 337 G C -0.101 174.797 174.900 -0.003 0.000 1.010 337 G CA 0.211 45.289 45.100 -0.037 0.000 0.618 337 G HN 0.363 nan 8.290 nan 0.000 0.516 338 Q N 1.527 121.330 119.800 0.005 0.000 2.230 338 Q HA 0.478 4.821 4.340 0.004 0.000 0.253 338 Q C -2.331 173.794 176.000 0.207 0.000 0.919 338 Q CA -1.780 54.078 55.803 0.092 0.000 0.908 338 Q CB 2.217 31.028 28.738 0.121 0.000 1.245 338 Q HN 0.366 nan 8.270 nan 0.000 0.437 339 P HA 0.068 nan 4.420 nan 0.000 0.276 339 P C -0.266 177.188 177.300 0.256 0.000 1.244 339 P CA -0.643 62.585 63.100 0.212 0.000 0.801 339 P CB 0.751 32.512 31.700 0.102 0.000 1.006 340 L N 2.685 123.998 121.223 0.149 0.000 2.384 340 L HA 0.226 4.569 4.340 0.004 0.000 0.258 340 L C 0.499 177.277 176.870 -0.153 0.000 1.266 340 L CA 0.169 54.858 54.840 -0.252 0.000 1.162 340 L CB -1.461 40.345 42.059 -0.421 0.000 1.375 340 L HN 0.293 nan 8.230 nan 0.000 0.420 341 R N 3.683 124.130 120.500 -0.088 0.000 2.445 341 R HA 0.707 5.049 4.340 0.004 0.000 0.308 341 R C -1.273 174.982 176.300 -0.074 0.000 0.961 341 R CA -0.593 55.472 56.100 -0.058 0.000 0.862 341 R CB 0.980 31.274 30.300 -0.010 0.000 1.144 341 R HN 0.538 nan 8.270 nan 0.000 0.447 342 I N 2.939 123.466 120.570 -0.072 0.000 2.478 342 I HA 0.230 4.403 4.170 0.004 0.000 0.287 342 I C -0.332 175.766 176.117 -0.033 0.000 1.042 342 I CA -0.629 60.631 61.300 -0.068 0.000 1.067 342 I CB 2.190 40.129 38.000 -0.101 0.000 1.233 342 I HN 0.461 nan 8.210 nan 0.000 0.431 343 E N 5.215 125.407 120.200 -0.013 0.000 2.316 343 E HA 0.288 4.641 4.350 0.004 0.000 0.275 343 E C -0.991 175.623 176.600 0.023 0.000 1.029 343 E CA -0.630 55.778 56.400 0.014 0.000 0.871 343 E CB 1.770 31.485 29.700 0.025 0.000 1.022 343 E HN 0.239 nan 8.360 nan 0.000 0.418 344 L N 3.288 124.537 121.223 0.043 0.000 2.295 344 L HA 0.202 4.544 4.340 0.004 0.000 0.281 344 L C -0.598 176.375 176.870 0.172 0.000 1.018 344 L CA -0.418 54.450 54.840 0.046 0.000 0.841 344 L CB 1.079 43.131 42.059 -0.013 0.000 1.218 344 L HN 0.386 nan 8.230 nan 0.000 0.424 345 S N 4.767 120.533 115.700 0.110 0.000 2.457 345 S HA 0.829 5.302 4.470 0.004 0.000 0.289 345 S C -0.432 174.275 174.600 0.177 0.000 1.163 345 S CA -0.559 57.686 58.200 0.075 0.000 1.078 345 S CB 0.624 63.834 63.200 0.017 0.000 0.987 345 S HN 0.555 nan 8.310 nan 0.000 0.482 346 F N -0.557 119.409 119.950 0.027 0.000 2.685 346 F HA 0.682 5.212 4.527 0.005 0.000 0.315 346 F C -1.105 174.705 175.800 0.015 0.000 1.126 346 F CA -1.859 56.192 58.000 0.085 0.000 0.950 346 F CB 0.697 39.861 39.000 0.274 0.000 1.360 346 F HN 0.387 nan 8.300 nan 0.000 0.469 347 I N 2.343 122.997 120.570 0.140 0.000 2.494 347 I HA 0.185 4.358 4.170 0.004 0.000 0.289 347 I C 1.459 177.599 176.117 0.039 0.000 1.106 347 I CA 0.350 61.655 61.300 0.009 0.000 1.369 347 I CB 0.792 38.806 38.000 0.023 0.000 1.410 347 I HN 0.999 nan 8.210 nan 0.000 0.523 348 G N 3.719 112.427 108.800 -0.153 0.000 2.448 348 G HA2 -0.226 3.736 3.960 0.004 0.000 0.219 348 G HA3 -0.226 3.736 3.960 0.004 0.000 0.219 348 G C 1.429 176.357 174.900 0.047 0.000 1.127 348 G CA 1.184 46.197 45.100 -0.145 0.000 0.766 348 G HN 0.653 nan 8.290 nan 0.000 0.552 349 T N -2.404 112.164 114.554 0.024 0.000 3.107 349 T HA 0.110 4.463 4.350 0.004 0.000 0.249 349 T C 0.695 175.412 174.700 0.029 0.000 1.096 349 T CA 0.039 62.155 62.100 0.026 0.000 1.012 349 T CB 0.236 69.107 68.868 0.004 0.000 0.977 349 T HN 0.112 nan 8.240 nan 0.000 0.527 350 D N 1.579 122.010 120.400 0.053 0.000 2.359 350 D HA 0.377 5.020 4.640 0.004 0.000 0.250 350 D C 1.360 177.658 176.300 -0.004 0.000 1.264 350 D CA 0.069 54.075 54.000 0.011 0.000 0.911 350 D CB 1.264 42.065 40.800 0.002 0.000 1.056 350 D HN 0.270 nan 8.370 nan 0.000 0.499 351 A N 4.875 127.672 122.820 -0.037 0.000 1.940 351 A HA -0.168 4.154 4.320 0.004 0.000 0.219 351 A C 2.268 179.787 177.584 -0.108 0.000 1.176 351 A CA 0.825 52.830 52.037 -0.053 0.000 0.631 351 A CB -0.336 18.631 19.000 -0.055 0.000 0.814 351 A HN 0.721 nan 8.150 nan 0.000 0.446 352 L N -0.824 120.308 121.223 -0.152 0.000 2.056 352 L HA -0.131 4.212 4.340 0.004 0.000 0.207 352 L C 2.848 179.508 176.870 -0.350 0.000 1.078 352 L CA 1.486 56.194 54.840 -0.220 0.000 0.749 352 L CB -0.303 41.620 42.059 -0.227 0.000 0.901 352 L HN 0.376 nan 8.230 nan 0.000 0.433 353 S N -0.359 115.093 115.700 -0.413 0.000 2.356 353 S HA -0.254 4.218 4.470 0.004 0.000 0.223 353 S C 1.901 176.125 174.600 -0.627 0.000 1.032 353 S CA 1.565 59.339 58.200 -0.711 0.000 1.005 353 S CB -0.144 62.830 63.200 -0.376 0.000 0.867 353 S HN 0.305 nan 8.310 nan 0.000 0.449 354 K N 1.198 121.381 120.400 -0.361 0.000 2.032 354 K HA -0.140 4.183 4.320 0.004 0.000 0.209 354 K C 2.391 178.828 176.600 -0.272 0.000 1.048 354 K CA 1.750 57.835 56.287 -0.335 0.000 0.927 354 K CB -0.326 32.207 32.500 0.054 0.000 0.712 354 K HN 0.473 nan 8.250 nan 0.000 0.441 355 S N 0.528 116.113 115.700 -0.192 0.000 2.368 355 S HA -0.165 4.308 4.470 0.004 0.000 0.225 355 S C 2.099 176.614 174.600 -0.142 0.000 1.030 355 S CA 1.274 59.392 58.200 -0.137 0.000 0.999 355 S CB -0.319 62.817 63.200 -0.106 0.000 0.844 355 S HN 0.301 nan 8.310 nan 0.000 0.459 356 M N 1.466 120.953 119.600 -0.188 0.000 2.132 356 M HA 0.051 4.534 4.480 0.004 0.000 0.263 356 M C 2.777 179.074 176.300 -0.004 0.000 1.065 356 M CA 1.401 56.641 55.300 -0.099 0.000 1.122 356 M CB -0.748 31.763 32.600 -0.148 0.000 1.365 356 M HN 0.565 nan 8.290 nan 0.000 0.411 357 A N 0.484 123.271 122.820 -0.054 0.000 1.933 357 A HA -0.189 4.134 4.320 0.004 0.000 0.218 357 A C 1.880 179.398 177.584 -0.110 0.000 1.175 357 A CA 1.780 53.748 52.037 -0.115 0.000 0.628 357 A CB -0.674 17.975 19.000 -0.585 0.000 0.814 357 A HN 0.534 nan 8.150 nan 0.000 0.444 358 E N -0.389 119.742 120.200 -0.115 0.000 2.077 358 E HA -0.155 4.198 4.350 0.004 0.000 0.193 358 E C 1.859 178.433 176.600 -0.044 0.000 0.989 358 E CA 1.297 57.663 56.400 -0.057 0.000 0.800 358 E CB -0.290 29.382 29.700 -0.047 0.000 0.746 358 E HN 0.709 nan 8.360 nan 0.000 0.452 359 I N 0.763 121.303 120.570 -0.051 0.000 2.252 359 I HA -0.257 3.915 4.170 0.004 0.000 0.245 359 I C 2.273 178.365 176.117 -0.042 0.000 1.102 359 I CA 0.956 62.227 61.300 -0.048 0.000 1.385 359 I CB -0.132 37.833 38.000 -0.059 0.000 1.064 359 I HN 0.092 nan 8.210 nan 0.000 0.414 360 I N 0.228 120.775 120.570 -0.038 0.000 2.226 360 I HA -0.333 3.839 4.170 0.004 0.000 0.245 360 I C 2.701 178.796 176.117 -0.037 0.000 1.100 360 I CA 1.410 62.686 61.300 -0.041 0.000 1.374 360 I CB -0.371 37.597 38.000 -0.053 0.000 1.057 360 I HN 0.322 nan 8.210 nan 0.000 0.413 361 Q N 0.970 120.749 119.800 -0.034 0.000 2.061 361 Q HA -0.276 4.067 4.340 0.004 0.000 0.204 361 Q C 2.311 178.303 176.000 -0.014 0.000 0.984 361 Q CA 2.239 58.029 55.803 -0.022 0.000 0.846 361 Q CB -0.140 28.593 28.738 -0.008 0.000 0.902 361 Q HN 0.564 nan 8.270 nan 0.000 0.421 362 A N 0.846 123.658 122.820 -0.014 0.000 1.877 362 A HA -0.219 4.104 4.320 0.004 0.000 0.216 362 A C 1.698 179.283 177.584 0.002 0.000 1.186 362 A CA 1.793 53.826 52.037 -0.007 0.000 0.620 362 A CB -0.701 18.292 19.000 -0.012 0.000 0.822 362 A HN 0.475 nan 8.150 nan 0.000 0.443 363 D N -0.348 120.051 120.400 -0.002 0.000 2.092 363 D HA -0.160 4.483 4.640 0.004 0.000 0.193 363 D C 1.974 178.295 176.300 0.035 0.000 0.994 363 D CA 1.594 55.609 54.000 0.025 0.000 0.828 363 D CB -0.372 40.434 40.800 0.009 0.000 0.963 363 D HN 0.472 nan 8.370 nan 0.000 0.450 364 M N -0.308 119.296 119.600 0.006 0.000 2.296 364 M HA -0.062 4.421 4.480 0.004 0.000 0.265 364 M C 2.146 178.440 176.300 -0.009 0.000 1.064 364 M CA 0.688 55.984 55.300 -0.007 0.000 1.109 364 M CB 0.040 32.619 32.600 -0.036 0.000 1.396 364 M HN -0.120 nan 8.290 nan 0.000 0.430 365 R N 0.276 120.775 120.500 -0.003 0.000 2.152 365 R HA -0.146 4.196 4.340 0.004 0.000 0.232 365 R C 1.904 178.209 176.300 0.008 0.000 1.117 365 R CA 1.176 57.276 56.100 -0.001 0.000 0.981 365 R CB 0.116 30.418 30.300 0.003 0.000 0.870 365 R HN 0.337 nan 8.270 nan 0.000 0.451 366 Q N 0.193 120.004 119.800 0.019 0.000 2.378 366 Q HA -0.069 4.273 4.340 0.004 0.000 0.205 366 Q C 1.775 177.786 176.000 0.019 0.000 0.954 366 Q CA 0.950 56.769 55.803 0.027 0.000 0.901 366 Q CB 0.098 28.866 28.738 0.050 0.000 0.981 366 Q HN 0.621 nan 8.270 nan 0.000 0.483 367 I N -4.396 116.182 120.570 0.013 0.000 3.928 367 I HA 0.461 4.633 4.170 0.004 0.000 0.335 367 I C 0.824 176.939 176.117 -0.004 0.000 1.325 367 I CA 0.409 61.710 61.300 0.002 0.000 1.107 367 I CB 0.209 38.210 38.000 0.001 0.000 1.014 367 I HN 0.069 nan 8.210 nan 0.000 0.400 368 G N 1.387 110.186 108.800 -0.002 0.000 2.132 368 G HA2 -0.134 3.828 3.960 0.004 0.000 0.228 368 G HA3 -0.134 3.828 3.960 0.004 0.000 0.228 368 G C 0.187 175.071 174.900 -0.026 0.000 1.000 368 G CA -0.064 45.036 45.100 0.001 0.000 0.693 368 G HN 0.951 nan 8.290 nan 0.000 0.515 369 A N -0.147 122.642 122.820 -0.052 0.000 2.305 369 A HA 0.646 4.968 4.320 0.004 0.000 0.322 369 A C -0.310 177.239 177.584 -0.060 0.000 1.187 369 A CA -0.207 51.774 52.037 -0.093 0.000 0.825 369 A CB 1.081 20.003 19.000 -0.131 0.000 1.164 369 A HN 0.231 nan 8.150 nan 0.000 0.498 370 D N 2.687 123.052 120.400 -0.058 0.000 2.428 370 D HA 0.375 5.018 4.640 0.004 0.000 0.221 370 D C -0.666 175.612 176.300 -0.037 0.000 1.123 370 D CA 0.095 54.076 54.000 -0.032 0.000 0.869 370 D CB 0.881 41.672 40.800 -0.014 0.000 1.032 370 D HN 0.138 nan 8.370 nan 0.000 0.506 371 V N 3.255 123.151 119.914 -0.030 0.000 2.432 371 V HA 0.222 4.344 4.120 0.004 0.000 0.271 371 V C 0.483 176.580 176.094 0.005 0.000 1.046 371 V CA -0.560 61.725 62.300 -0.025 0.000 0.945 371 V CB 1.344 33.148 31.823 -0.033 0.000 0.992 371 V HN 0.466 nan 8.190 nan 0.000 0.471 372 S N 6.373 122.081 115.700 0.014 0.000 2.465 372 S HA 0.456 4.929 4.470 0.004 0.000 0.279 372 S C -0.343 174.306 174.600 0.081 0.000 1.201 372 S CA -0.587 57.635 58.200 0.036 0.000 1.053 372 S CB 0.801 64.015 63.200 0.023 0.000 0.953 372 S HN 0.401 nan 8.310 nan 0.000 0.488 373 L N 4.792 126.090 121.223 0.125 0.000 2.295 373 L HA 0.329 4.672 4.340 0.004 0.000 0.288 373 L C -0.326 176.637 176.870 0.154 0.000 1.079 373 L CA -0.012 54.995 54.840 0.277 0.000 0.830 373 L CB -0.038 42.219 42.059 0.330 0.000 1.200 373 L HN 0.556 nan 8.230 nan 0.000 0.438 374 I N 3.663 124.273 120.570 0.067 0.000 2.361 374 I HA 0.299 4.472 4.170 0.004 0.000 0.282 374 I C 0.935 176.758 176.117 -0.490 0.000 1.075 374 I CA -0.425 60.797 61.300 -0.130 0.000 1.205 374 I CB 0.795 38.757 38.000 -0.063 0.000 1.406 374 I HN 0.533 nan 8.210 nan 0.000 0.481 375 G N 5.827 114.242 108.800 -0.641 0.000 2.333 375 G HA2 0.536 4.499 3.960 0.004 0.000 0.290 375 G HA3 0.536 4.499 3.960 0.004 0.000 0.290 375 G C -0.132 174.503 174.900 -0.441 0.000 1.150 375 G CA -0.189 44.352 45.100 -0.932 0.000 0.895 375 G HN 0.606 nan 8.290 nan 0.000 0.444 376 E N 1.320 121.295 120.200 -0.374 0.000 2.445 376 E HA 0.229 4.582 4.350 0.004 0.000 0.273 376 E C -0.594 175.926 176.600 -0.134 0.000 0.961 376 E CA -0.875 55.408 56.400 -0.194 0.000 0.807 376 E CB 2.035 31.648 29.700 -0.146 0.000 1.362 376 E HN 0.537 nan 8.360 nan 0.000 0.453 377 E N 1.105 121.258 120.200 -0.078 0.000 2.404 377 E HA -0.073 4.280 4.350 0.004 0.000 0.261 377 E C 0.632 177.216 176.600 -0.027 0.000 1.074 377 E CA 0.225 56.601 56.400 -0.039 0.000 0.917 377 E CB 0.743 30.432 29.700 -0.018 0.000 0.965 377 E HN 0.549 nan 8.360 nan 0.000 0.433 378 E N 1.469 121.675 120.200 0.011 0.000 2.118 378 E HA -0.225 4.128 4.350 0.004 0.000 0.195 378 E C 1.819 178.495 176.600 0.128 0.000 0.992 378 E CA 1.612 58.044 56.400 0.053 0.000 0.804 378 E CB 0.100 29.880 29.700 0.134 0.000 0.741 378 E HN 0.539 nan 8.360 nan 0.000 0.458 379 S N -0.287 115.482 115.700 0.114 0.000 2.402 379 S HA -0.142 4.330 4.470 0.004 0.000 0.229 379 S C 2.150 176.802 174.600 0.086 0.000 1.021 379 S CA 1.305 59.580 58.200 0.126 0.000 0.974 379 S CB -0.224 63.019 63.200 0.071 0.000 0.800 379 S HN 0.194 nan 8.310 nan 0.000 0.484 380 S N 1.085 116.805 115.700 0.032 0.000 2.383 380 S HA 0.011 4.483 4.470 0.004 0.000 0.227 380 S C 1.823 176.416 174.600 -0.011 0.000 1.026 380 S CA 0.930 59.135 58.200 0.007 0.000 0.981 380 S CB -0.523 62.666 63.200 -0.019 0.000 0.818 380 S HN 0.463 nan 8.310 nan 0.000 0.472 381 I N 0.815 121.347 120.570 -0.064 0.000 2.179 381 I HA -0.130 4.043 4.170 0.004 0.000 0.242 381 I C 2.066 178.083 176.117 -0.166 0.000 1.088 381 I CA 1.497 62.703 61.300 -0.158 0.000 1.357 381 I CB -1.773 36.060 38.000 -0.279 0.000 1.051 381 I HN 0.397 nan 8.210 nan 0.000 0.409 382 Y N 1.161 121.468 120.300 0.011 0.000 2.224 382 Y HA -0.196 4.356 4.550 0.004 0.000 0.289 382 Y C 2.687 178.594 175.900 0.011 0.000 1.146 382 Y CA 1.324 59.432 58.100 0.013 0.000 1.182 382 Y CB -0.481 37.986 38.460 0.013 0.000 0.983 382 Y HN 0.145 nan 8.280 nan 0.000 0.524 383 A N 0.497 123.397 122.820 0.133 0.000 1.908 383 A HA -0.237 4.086 4.320 0.004 0.000 0.218 383 A C 2.199 179.830 177.584 0.079 0.000 1.181 383 A CA 1.822 53.906 52.037 0.079 0.000 0.627 383 A CB -0.598 18.433 19.000 0.051 0.000 0.818 383 A HN 0.406 nan 8.150 nan 0.000 0.445 384 R N -0.703 119.844 120.500 0.078 0.000 2.073 384 R HA -0.167 4.176 4.340 0.004 0.000 0.234 384 R C 2.528 178.977 176.300 0.249 0.000 1.134 384 R CA 1.730 57.912 56.100 0.137 0.000 0.952 384 R CB -0.384 29.989 30.300 0.122 0.000 0.850 384 R HN 0.697 nan 8.270 nan 0.000 0.433 385 Q N 0.071 119.961 119.800 0.149 0.000 2.096 385 Q HA -0.230 4.113 4.340 0.004 0.000 0.204 385 Q C 2.221 178.353 176.000 0.219 0.000 0.982 385 Q CA 1.854 57.751 55.803 0.157 0.000 0.850 385 Q CB -0.215 28.546 28.738 0.037 0.000 0.901 385 Q HN 0.354 nan 8.270 nan 0.000 0.422 386 R N 0.552 121.125 120.500 0.121 0.000 2.092 386 R HA -0.128 4.215 4.340 0.004 0.000 0.231 386 R C 0.888 177.218 176.300 0.050 0.000 1.119 386 R CA 1.807 57.923 56.100 0.027 0.000 0.970 386 R CB 0.038 30.314 30.300 -0.040 0.000 0.864 386 R HN 0.093 nan 8.270 nan 0.000 0.440 387 D N -0.424 120.021 120.400 0.076 0.000 2.348 387 D HA 0.108 4.751 4.640 0.004 0.000 0.211 387 D C 0.899 177.220 176.300 0.034 0.000 0.998 387 D CA 1.159 55.187 54.000 0.046 0.000 0.873 387 D CB 0.555 41.376 40.800 0.035 0.000 0.925 387 D HN 0.554 nan 8.370 nan 0.000 0.524 388 G N 1.415 110.261 108.800 0.078 0.000 2.153 388 G HA2 -0.349 3.613 3.960 0.004 0.000 0.252 388 G HA3 -0.349 3.613 3.960 0.004 0.000 0.252 388 G C 0.604 175.325 174.900 -0.300 0.000 0.994 388 G CA -0.182 44.821 45.100 -0.163 0.000 0.698 388 G HN 0.302 nan 8.290 nan 0.000 0.521 389 R N 0.071 120.550 120.500 -0.034 0.000 4.496 389 R HA 0.496 4.839 4.340 0.004 0.000 0.211 389 R C -0.116 176.234 176.300 0.084 0.000 1.738 389 R CA 0.118 56.204 56.100 -0.024 0.000 1.528 389 R CB -0.709 29.605 30.300 0.024 0.000 1.414 389 R HN 0.552 nan 8.270 nan 0.000 0.812 390 F N -3.911 116.017 119.950 -0.037 0.000 2.668 390 F HA 0.560 5.090 4.527 0.005 0.000 0.309 390 F C 0.417 176.184 175.800 -0.055 0.000 1.117 390 F CA -1.161 56.811 58.000 -0.046 0.000 0.951 390 F CB 0.669 39.638 39.000 -0.052 0.000 1.323 390 F HN -0.056 nan 8.300 nan 0.000 0.451 391 G N 0.837 109.739 108.800 0.170 0.000 2.599 391 G HA2 0.350 4.313 3.960 0.004 0.000 0.210 391 G HA3 0.350 4.313 3.960 0.004 0.000 0.210 391 G C -0.112 174.902 174.900 0.191 0.000 1.177 391 G CA -0.086 45.057 45.100 0.073 0.000 0.835 391 G HN 0.489 nan 8.290 nan 0.000 0.575 392 M N 0.765 120.460 119.600 0.159 0.000 2.457 392 M HA 0.557 5.040 4.480 0.004 0.000 0.300 392 M C -1.279 174.971 176.300 -0.084 0.000 1.141 392 M CA -0.656 54.666 55.300 0.038 0.000 0.901 392 M CB 2.859 35.401 32.600 -0.098 0.000 1.687 392 M HN 0.249 nan 8.290 nan 0.000 0.449 393 I N -1.975 118.445 120.570 -0.249 0.000 2.865 393 I HA 0.623 4.796 4.170 0.004 0.000 0.302 393 I C -1.181 174.761 176.117 -0.291 0.000 1.140 393 I CA -0.944 60.157 61.300 -0.331 0.000 1.021 393 I CB 1.870 39.533 38.000 -0.561 0.000 1.233 393 I HN 0.462 nan 8.210 nan 0.000 0.427 394 F N 2.471 122.397 119.950 -0.039 0.000 2.506 394 F HA 0.410 4.940 4.527 0.005 0.000 0.351 394 F C 0.383 176.239 175.800 0.092 0.000 1.136 394 F CA 0.810 58.814 58.000 0.007 0.000 1.298 394 F CB 0.340 39.333 39.000 -0.012 0.000 1.145 394 F HN 0.574 nan 8.300 nan 0.000 0.593 395 H N 1.563 120.738 119.070 0.174 0.000 3.017 395 H HA 0.641 5.200 4.556 0.004 0.000 0.346 395 H C -1.242 174.148 175.328 0.104 0.000 1.286 395 H CA -1.272 54.857 56.048 0.135 0.000 1.120 395 H CB 1.603 31.448 29.762 0.139 0.000 1.860 395 H HN 0.637 nan 8.280 nan 0.000 0.542 396 R N 0.287 120.597 120.500 -0.317 0.000 2.774 396 R HA 0.602 4.945 4.340 0.004 0.000 0.272 396 R C -0.831 175.226 176.300 -0.405 0.000 1.000 396 R CA -0.680 55.268 56.100 -0.252 0.000 0.906 396 R CB 1.363 31.617 30.300 -0.076 0.000 1.227 396 R HN 0.682 nan 8.270 nan 0.000 0.468 397 T N -2.530 111.725 114.554 -0.499 0.000 2.814 397 T HA 0.278 4.631 4.350 0.004 0.000 0.284 397 T C 0.011 174.664 174.700 -0.079 0.000 0.998 397 T CA -0.574 61.035 62.100 -0.818 0.000 0.935 397 T CB 0.581 68.885 68.868 -0.941 0.000 1.167 397 T HN 0.688 nan 8.240 nan 0.000 0.545 398 W N 0.231 121.453 121.300 -0.131 0.000 2.998 398 W HA 0.511 5.173 4.660 0.004 0.000 0.336 398 W C 1.299 177.854 176.519 0.059 0.000 1.112 398 W CA 0.024 57.328 57.345 -0.069 0.000 1.682 398 W CB -1.313 28.045 29.460 -0.169 0.000 1.065 398 W HN 1.393 nan 8.180 nan 0.000 0.570 399 G N 1.076 110.044 108.800 0.280 0.000 2.828 399 G HA2 0.105 4.067 3.960 0.004 0.000 0.463 399 G HA3 0.105 4.067 3.960 0.004 0.000 0.463 399 G C -0.041 175.031 174.900 0.286 0.000 1.394 399 G CA -0.643 44.596 45.100 0.231 0.000 0.862 399 G HN 0.435 nan 8.290 nan 0.000 0.540 400 A N 0.532 123.457 122.820 0.175 0.000 2.445 400 A HA 0.679 5.002 4.320 0.004 0.000 0.242 400 A C -0.531 177.009 177.584 -0.074 0.000 1.075 400 A CA -0.077 52.010 52.037 0.082 0.000 0.777 400 A CB 0.516 19.608 19.000 0.154 0.000 1.013 400 A HN 0.751 nan 8.150 nan 0.000 0.493 401 P HA 0.095 nan 4.420 nan 0.000 0.257 401 P C 0.150 177.358 177.300 -0.153 0.000 1.325 401 P CA 0.532 63.349 63.100 -0.471 0.000 0.850 401 P CB -0.117 30.964 31.700 -1.030 0.000 1.324 402 Y N 0.056 120.410 120.300 0.091 0.000 2.314 402 Y HA -0.036 4.516 4.550 0.004 0.000 0.293 402 Y C 0.905 176.877 175.900 0.120 0.000 1.129 402 Y CA 0.629 58.844 58.100 0.192 0.000 1.201 402 Y CB -0.551 38.195 38.460 0.476 0.000 0.999 402 Y HN -0.056 nan 8.280 nan 0.000 0.541 403 D N 1.055 121.599 120.400 0.240 0.000 2.249 403 D HA 0.108 4.751 4.640 0.004 0.000 0.246 403 D C -1.621 174.579 176.300 -0.167 0.000 1.114 403 D CA -1.858 52.145 54.000 0.005 0.000 0.854 403 D CB 1.269 42.089 40.800 0.033 0.000 1.132 403 D HN 0.111 nan 8.370 nan 0.000 0.461 404 P HA -0.044 nan 4.420 nan 0.000 0.245 404 P C 1.205 178.541 177.300 0.060 0.000 1.199 404 P CA 0.510 63.278 63.100 -0.554 0.000 0.807 404 P CB 0.249 31.421 31.700 -0.880 0.000 1.002 405 H N 0.869 120.033 119.070 0.157 0.000 2.357 405 H HA 0.068 4.626 4.556 0.004 0.000 0.301 405 H C 1.525 177.041 175.328 0.313 0.000 1.082 405 H CA 1.757 57.997 56.048 0.320 0.000 1.342 405 H CB -0.824 29.117 29.762 0.298 0.000 1.389 405 H HN 0.017 nan 8.280 nan 0.000 0.511 406 A N 0.770 123.278 122.820 -0.520 0.000 1.930 406 A HA -0.014 4.308 4.320 0.004 0.000 0.215 406 A C 2.390 180.118 177.584 0.240 0.000 1.176 406 A CA 0.598 52.613 52.037 -0.036 0.000 0.632 406 A CB -1.133 18.001 19.000 0.223 0.000 0.819 406 A HN 0.409 nan 8.150 nan 0.000 0.445 407 F N 0.857 120.773 119.950 -0.057 0.000 2.095 407 F HA -0.192 4.338 4.527 0.005 0.000 0.298 407 F C 1.959 177.692 175.800 -0.111 0.000 1.104 407 F CA 1.788 59.517 58.000 -0.452 0.000 1.232 407 F CB -0.091 38.689 39.000 -0.367 0.000 0.987 407 F HN 0.134 nan 8.300 nan 0.000 0.475 408 L N -1.035 120.313 121.223 0.207 0.000 2.056 408 L HA -0.228 4.114 4.340 0.004 0.000 0.207 408 L C 2.726 179.670 176.870 0.123 0.000 1.078 408 L CA 1.538 56.497 54.840 0.199 0.000 0.749 408 L CB -1.165 41.094 42.059 0.334 0.000 0.901 408 L HN 0.208 nan 8.230 nan 0.000 0.433 409 S N 0.103 115.900 115.700 0.163 0.000 2.374 409 S HA -0.226 4.246 4.470 0.004 0.000 0.227 409 S C 2.261 176.954 174.600 0.156 0.000 1.037 409 S CA 1.963 60.270 58.200 0.178 0.000 1.024 409 S CB -0.234 63.099 63.200 0.221 0.000 0.861 409 S HN 0.618 nan 8.310 nan 0.000 0.456 410 S N 0.923 116.703 115.700 0.134 0.000 2.423 410 S HA -0.015 4.458 4.470 0.004 0.000 0.231 410 S C 1.898 176.527 174.600 0.049 0.000 1.014 410 S CA 1.162 59.440 58.200 0.132 0.000 0.965 410 S CB -0.667 62.642 63.200 0.182 0.000 0.785 410 S HN 0.612 nan 8.310 nan 0.000 0.495 411 M N 0.887 120.481 119.600 -0.011 0.000 2.435 411 M HA -0.030 4.453 4.480 0.004 0.000 0.262 411 M C 2.174 178.644 176.300 0.283 0.000 1.065 411 M CA 1.236 56.592 55.300 0.093 0.000 1.076 411 M CB -0.372 32.270 32.600 0.070 0.000 1.403 411 M HN 0.334 nan 8.290 nan 0.000 0.454 412 R N -0.432 120.214 120.500 0.244 0.000 2.276 412 R HA 0.132 4.475 4.340 0.004 0.000 0.196 412 R C 0.075 176.500 176.300 0.209 0.000 0.961 412 R CA 0.096 56.380 56.100 0.307 0.000 1.024 412 R CB 0.145 30.555 30.300 0.183 0.000 0.940 412 R HN 0.131 nan 8.270 nan 0.000 0.480 413 V N 3.110 123.087 119.914 0.105 0.000 2.389 413 V HA 0.099 4.221 4.120 0.004 0.000 0.264 413 V C -1.548 174.335 176.094 -0.352 0.000 1.049 413 V CA -1.442 60.826 62.300 -0.055 0.000 0.932 413 V CB 1.414 33.288 31.823 0.085 0.000 1.011 413 V HN -0.044 nan 8.190 nan 0.000 0.475 414 P HA -0.128 nan 4.420 nan 0.000 0.216 414 P C 0.896 177.864 177.300 -0.554 0.000 1.154 414 P CA 1.306 63.529 63.100 -1.462 0.000 0.865 414 P CB 0.216 31.449 31.700 -0.779 0.000 0.789 415 S N -0.638 114.879 115.700 -0.306 0.000 2.577 415 S HA 0.157 4.629 4.470 0.004 0.000 0.239 415 S C -0.055 174.241 174.600 -0.507 0.000 1.236 415 S CA -0.256 57.758 58.200 -0.309 0.000 1.233 415 S CB -0.777 62.254 63.200 -0.282 0.000 0.908 415 S HN 0.178 nan 8.310 nan 0.000 0.493 416 H N -0.646 118.464 119.070 0.067 0.000 2.946 416 H HA 0.421 4.980 4.556 0.004 0.000 0.365 416 H C 0.942 176.382 175.328 0.186 0.000 1.197 416 H CA -0.548 55.571 56.048 0.118 0.000 1.131 416 H CB 1.582 31.402 29.762 0.096 0.000 1.849 416 H HN 0.221 nan 8.280 nan 0.000 0.555 417 A N 0.768 123.741 122.820 0.256 0.000 1.902 417 A HA -0.163 4.159 4.320 0.004 0.000 0.217 417 A C 1.617 179.288 177.584 0.146 0.000 1.181 417 A CA 1.876 53.982 52.037 0.114 0.000 0.623 417 A CB -0.294 18.564 19.000 -0.237 0.000 0.818 417 A HN 0.686 nan 8.150 nan 0.000 0.443 418 D N -1.239 119.242 120.400 0.135 0.000 2.117 418 D HA -0.122 4.520 4.640 0.004 0.000 0.198 418 D C 1.715 178.132 176.300 0.195 0.000 0.982 418 D CA 1.314 55.415 54.000 0.169 0.000 0.828 418 D CB -0.368 40.495 40.800 0.106 0.000 0.967 418 D HN 0.470 nan 8.370 nan 0.000 0.464 419 F N 2.193 122.200 119.950 0.094 0.000 2.095 419 F HA -0.240 4.289 4.527 0.004 0.000 0.298 419 F C 2.473 178.311 175.800 0.064 0.000 1.104 419 F CA 1.473 59.521 58.000 0.081 0.000 1.232 419 F CB -0.035 39.025 39.000 0.101 0.000 0.987 419 F HN -0.181 nan 8.300 nan 0.000 0.475 420 Q N 0.473 120.472 119.800 0.331 0.000 2.084 420 Q HA -0.158 4.185 4.340 0.004 0.000 0.202 420 Q C 2.519 178.516 176.000 -0.005 0.000 0.978 420 Q CA 1.571 57.474 55.803 0.167 0.000 0.844 420 Q CB -1.183 27.700 28.738 0.242 0.000 0.898 420 Q HN 0.555 nan 8.270 nan 0.000 0.426 421 A N 0.835 123.732 122.820 0.128 0.000 2.019 421 A HA -0.182 4.140 4.320 0.004 0.000 0.219 421 A C 1.813 179.330 177.584 -0.111 0.000 1.164 421 A CA 1.284 53.351 52.037 0.050 0.000 0.644 421 A CB -0.272 18.803 19.000 0.125 0.000 0.805 421 A HN 0.394 nan 8.150 nan 0.000 0.449 422 Q N -1.038 118.681 119.800 -0.136 0.000 2.319 422 Q HA 0.050 4.392 4.340 0.004 0.000 0.202 422 Q C 1.441 177.299 176.000 -0.237 0.000 0.896 422 Q CA -0.098 55.597 55.803 -0.180 0.000 0.942 422 Q CB 0.231 28.883 28.738 -0.145 0.000 1.083 422 Q HN 0.525 nan 8.270 nan 0.000 0.510 423 Q N -0.318 119.316 119.800 -0.277 0.000 2.291 423 Q HA -0.062 4.280 4.340 0.004 0.000 0.205 423 Q C 1.793 177.681 176.000 -0.187 0.000 0.970 423 Q CA 1.310 56.935 55.803 -0.296 0.000 0.876 423 Q CB -0.114 28.469 28.738 -0.259 0.000 0.935 423 Q HN 0.459 nan 8.270 nan 0.000 0.455 424 G N -0.391 108.316 108.800 -0.154 0.000 2.920 424 G HA2 0.115 4.078 3.960 0.004 0.000 0.208 424 G HA3 0.115 4.078 3.960 0.004 0.000 0.208 424 G C 0.462 175.306 174.900 -0.093 0.000 1.159 424 G CA -0.243 44.790 45.100 -0.112 0.000 0.784 424 G HN 0.146 nan 8.290 nan 0.000 0.535 425 L N 1.139 122.299 121.223 -0.104 0.000 2.319 425 L HA 0.313 4.656 4.340 0.004 0.000 0.280 425 L C 1.882 178.716 176.870 -0.061 0.000 1.099 425 L CA -0.638 54.156 54.840 -0.076 0.000 0.828 425 L CB 1.500 43.513 42.059 -0.076 0.000 1.150 425 L HN 0.132 nan 8.230 nan 0.000 0.442 426 A N 2.704 125.500 122.820 -0.041 0.000 1.986 426 A HA -0.205 4.117 4.320 0.004 0.000 0.220 426 A C 1.461 179.031 177.584 -0.023 0.000 1.171 426 A CA 1.902 53.922 52.037 -0.028 0.000 0.640 426 A CB -0.403 18.587 19.000 -0.017 0.000 0.811 426 A HN 0.909 nan 8.150 nan 0.000 0.451 427 D N -1.288 119.101 120.400 -0.020 0.000 2.342 427 D HA 0.051 4.693 4.640 0.004 0.000 0.221 427 D C 1.217 177.509 176.300 -0.013 0.000 1.101 427 D CA 0.429 54.424 54.000 -0.008 0.000 0.837 427 D CB 0.014 40.818 40.800 0.006 0.000 0.938 427 D HN 0.253 nan 8.370 nan 0.000 0.508 428 K N 1.675 122.051 120.400 -0.039 0.000 2.044 428 K HA -0.110 4.212 4.320 0.004 0.000 0.210 428 K C -0.872 175.712 176.600 -0.026 0.000 1.049 428 K CA 1.500 57.753 56.287 -0.058 0.000 0.927 428 K CB -1.277 31.142 32.500 -0.135 0.000 0.713 428 K HN 0.144 nan 8.250 nan 0.000 0.443 429 P HA -0.146 nan 4.420 nan 0.000 0.215 429 P C 1.291 178.603 177.300 0.020 0.000 1.157 429 P CA 0.948 64.053 63.100 0.010 0.000 0.868 429 P CB -0.045 31.660 31.700 0.007 0.000 0.788 430 L N -0.678 120.554 121.223 0.015 0.000 2.046 430 L HA -0.143 4.200 4.340 0.004 0.000 0.208 430 L C 2.174 179.061 176.870 0.028 0.000 1.077 430 L CA 1.728 56.580 54.840 0.020 0.000 0.747 430 L CB -1.307 40.763 42.059 0.018 0.000 0.896 430 L HN -0.108 nan 8.230 nan 0.000 0.432 431 I N -0.454 120.135 120.570 0.032 0.000 2.179 431 I HA -0.292 3.881 4.170 0.004 0.000 0.242 431 I C 1.994 178.147 176.117 0.059 0.000 1.088 431 I CA 1.450 62.780 61.300 0.050 0.000 1.357 431 I CB -0.458 37.575 38.000 0.055 0.000 1.051 431 I HN 0.256 nan 8.210 nan 0.000 0.409 432 D N 0.589 121.025 120.400 0.059 0.000 2.144 432 D HA -0.192 4.451 4.640 0.004 0.000 0.199 432 D C 2.069 178.408 176.300 0.066 0.000 0.984 432 D CA 1.039 55.088 54.000 0.082 0.000 0.834 432 D CB -0.154 40.711 40.800 0.107 0.000 0.955 432 D HN 0.258 nan 8.370 nan 0.000 0.465 433 K N 0.824 121.253 120.400 0.048 0.000 2.025 433 K HA -0.126 4.197 4.320 0.004 0.000 0.207 433 K C 1.792 178.406 176.600 0.022 0.000 1.049 433 K CA 1.096 57.404 56.287 0.034 0.000 0.933 433 K CB 0.125 32.641 32.500 0.026 0.000 0.714 433 K HN 0.077 nan 8.250 nan 0.000 0.438 434 E N 0.449 120.659 120.200 0.018 0.000 2.153 434 E HA -0.172 4.180 4.350 0.004 0.000 0.194 434 E C 2.058 178.646 176.600 -0.021 0.000 0.988 434 E CA 1.150 57.546 56.400 -0.006 0.000 0.811 434 E CB -0.096 29.604 29.700 -0.001 0.000 0.746 434 E HN 0.372 nan 8.360 nan 0.000 0.466 435 I N 0.976 121.557 120.570 0.020 0.000 2.226 435 I HA -0.207 3.965 4.170 0.004 0.000 0.245 435 I C 2.594 178.734 176.117 0.039 0.000 1.100 435 I CA 1.259 62.581 61.300 0.036 0.000 1.374 435 I CB -0.575 37.481 38.000 0.095 0.000 1.057 435 I HN 0.156 nan 8.210 nan 0.000 0.413 436 G N 0.354 109.182 108.800 0.046 0.000 2.440 436 G HA2 -0.246 3.717 3.960 0.004 0.000 0.218 436 G HA3 -0.246 3.717 3.960 0.004 0.000 0.218 436 G C 1.527 176.442 174.900 0.025 0.000 1.154 436 G CA 0.794 45.923 45.100 0.048 0.000 0.767 436 G HN 0.440 nan 8.290 nan 0.000 0.552 437 E N -0.423 119.771 120.200 -0.010 0.000 2.107 437 E HA -0.020 4.333 4.350 0.004 0.000 0.191 437 E C 2.551 179.103 176.600 -0.080 0.000 0.982 437 E CA 0.595 56.970 56.400 -0.041 0.000 0.809 437 E CB -0.189 29.483 29.700 -0.047 0.000 0.756 437 E HN 0.238 nan 8.360 nan 0.000 0.459 438 V N 1.093 120.927 119.914 -0.133 0.000 2.490 438 V HA -0.198 3.924 4.120 0.004 0.000 0.250 438 V C 1.873 177.924 176.094 -0.070 0.000 1.061 438 V CA 1.238 63.380 62.300 -0.264 0.000 1.064 438 V CB -0.091 31.387 31.823 -0.575 0.000 0.670 438 V HN 0.210 nan 8.190 nan 0.000 0.461 439 L N -0.128 121.135 121.223 0.068 0.000 2.217 439 L HA 0.122 4.464 4.340 0.004 0.000 0.211 439 L C 2.363 179.375 176.870 0.236 0.000 1.107 439 L CA 2.162 57.141 54.840 0.232 0.000 0.783 439 L CB -1.202 41.042 42.059 0.308 0.000 0.919 439 L HN 0.393 nan 8.230 nan 0.000 0.442 440 A N -2.439 120.440 122.820 0.098 0.000 2.085 440 A HA 0.073 4.396 4.320 0.004 0.000 0.208 440 A C 1.382 178.835 177.584 -0.219 0.000 1.191 440 A CA 0.335 52.381 52.037 0.015 0.000 0.799 440 A CB -0.322 18.677 19.000 -0.001 0.000 0.877 440 A HN 0.277 nan 8.150 nan 0.000 0.473 441 T N -0.338 114.106 114.554 -0.182 0.000 2.932 441 T HA 0.132 4.484 4.350 0.004 0.000 0.312 441 T C 0.614 175.139 174.700 -0.291 0.000 1.071 441 T CA 0.397 62.347 62.100 -0.250 0.000 1.128 441 T CB 0.147 68.929 68.868 -0.143 0.000 0.984 441 T HN 0.522 nan 8.240 nan 0.000 0.549 442 H N 0.975 120.060 119.070 0.026 0.000 2.586 442 H HA 0.271 4.830 4.556 0.004 0.000 0.273 442 H C 0.029 175.361 175.328 0.006 0.000 0.997 442 H CA -0.403 55.662 56.048 0.030 0.000 1.177 442 H CB 0.439 30.231 29.762 0.050 0.000 1.471 442 H HN 0.423 nan 8.280 nan 0.000 0.538 443 D N 1.208 121.640 120.400 0.053 0.000 2.380 443 D HA -0.035 4.608 4.640 0.004 0.000 0.230 443 D C 1.171 177.462 176.300 -0.014 0.000 1.154 443 D CA -0.038 53.978 54.000 0.027 0.000 0.859 443 D CB 1.125 41.933 40.800 0.014 0.000 1.045 443 D HN 0.211 nan 8.370 nan 0.000 0.495 444 E N 2.128 122.330 120.200 0.003 0.000 2.150 444 E HA -0.131 4.222 4.350 0.004 0.000 0.193 444 E C 1.329 177.935 176.600 0.010 0.000 0.985 444 E CA 1.447 57.842 56.400 -0.008 0.000 0.814 444 E CB 0.063 29.780 29.700 0.027 0.000 0.752 444 E HN 0.457 nan 8.360 nan 0.000 0.466 445 T N 0.258 114.823 114.554 0.018 0.000 2.684 445 T HA -0.209 4.144 4.350 0.004 0.000 0.267 445 T C 1.711 176.414 174.700 0.005 0.000 1.036 445 T CA 1.562 63.676 62.100 0.024 0.000 1.148 445 T CB -0.352 68.530 68.868 0.024 0.000 0.863 445 T HN 0.169 nan 8.240 nan 0.000 0.436 446 Q N 1.160 120.949 119.800 -0.017 0.000 2.124 446 Q HA -0.007 4.335 4.340 0.004 0.000 0.202 446 Q C 2.272 178.218 176.000 -0.089 0.000 0.977 446 Q CA 1.481 57.260 55.803 -0.041 0.000 0.850 446 Q CB -0.268 28.444 28.738 -0.043 0.000 0.901 446 Q HN 0.429 nan 8.270 nan 0.000 0.429 447 R N -0.421 120.001 120.500 -0.130 0.000 2.083 447 R HA -0.199 4.144 4.340 0.004 0.000 0.237 447 R C 2.241 178.419 176.300 -0.203 0.000 1.137 447 R CA 2.045 57.986 56.100 -0.265 0.000 0.951 447 R CB -0.118 29.975 30.300 -0.345 0.000 0.851 447 R HN 0.432 nan 8.270 nan 0.000 0.434 448 Q N -0.630 119.155 119.800 -0.024 0.000 2.124 448 Q HA -0.127 4.215 4.340 0.004 0.000 0.202 448 Q C 2.113 178.173 176.000 0.100 0.000 0.977 448 Q CA 1.559 57.440 55.803 0.130 0.000 0.850 448 Q CB -0.090 28.763 28.738 0.191 0.000 0.901 448 Q HN 0.440 nan 8.270 nan 0.000 0.429 449 A N 0.737 123.580 122.820 0.038 0.000 1.930 449 A HA -0.133 4.189 4.320 0.004 0.000 0.217 449 A C 2.044 179.640 177.584 0.020 0.000 1.175 449 A CA 0.984 53.042 52.037 0.035 0.000 0.627 449 A CB -0.535 18.475 19.000 0.017 0.000 0.815 449 A HN 0.266 nan 8.150 nan 0.000 0.443 450 L N -2.275 118.921 121.223 -0.046 0.000 2.056 450 L HA -0.171 4.172 4.340 0.004 0.000 0.207 450 L C 2.560 179.398 176.870 -0.053 0.000 1.078 450 L CA 1.374 56.161 54.840 -0.088 0.000 0.749 450 L CB -0.623 41.317 42.059 -0.198 0.000 0.901 450 L HN 0.497 nan 8.230 nan 0.000 0.433 451 Y N -0.170 120.101 120.300 -0.047 0.000 2.128 451 Y HA -0.339 4.213 4.550 0.005 0.000 0.284 451 Y C 2.951 178.884 175.900 0.054 0.000 1.154 451 Y CA 1.394 59.487 58.100 -0.012 0.000 1.149 451 Y CB -0.174 38.236 38.460 -0.084 0.000 0.976 451 Y HN 0.104 nan 8.280 nan 0.000 0.505 452 R N 0.581 121.212 120.500 0.219 0.000 2.083 452 R HA -0.235 4.107 4.340 0.004 0.000 0.237 452 R C 1.824 178.204 176.300 0.134 0.000 1.137 452 R CA 2.311 58.505 56.100 0.157 0.000 0.951 452 R CB -0.511 29.858 30.300 0.114 0.000 0.851 452 R HN 0.315 nan 8.270 nan 0.000 0.434 453 D N -0.163 120.299 120.400 0.104 0.000 2.104 453 D HA -0.146 4.496 4.640 0.004 0.000 0.194 453 D C 1.926 178.293 176.300 0.111 0.000 0.994 453 D CA 1.733 55.786 54.000 0.088 0.000 0.830 453 D CB -0.007 40.826 40.800 0.056 0.000 0.959 453 D HN 0.328 nan 8.370 nan 0.000 0.452 454 I N -0.004 120.643 120.570 0.128 0.000 2.142 454 I HA -0.250 3.922 4.170 0.004 0.000 0.240 454 I C 2.357 178.597 176.117 0.206 0.000 1.078 454 I CA 0.802 62.197 61.300 0.159 0.000 1.343 454 I CB -0.260 37.847 38.000 0.179 0.000 1.046 454 I HN 0.119 nan 8.210 nan 0.000 0.405 455 L N -0.166 121.201 121.223 0.241 0.000 2.093 455 L HA -0.157 4.185 4.340 0.004 0.000 0.208 455 L C 2.601 179.601 176.870 0.217 0.000 1.085 455 L CA 1.327 56.324 54.840 0.261 0.000 0.755 455 L CB -0.898 41.327 42.059 0.277 0.000 0.904 455 L HN 0.277 nan 8.230 nan 0.000 0.435 456 T N -0.707 113.951 114.554 0.174 0.000 2.777 456 T HA -0.145 4.208 4.350 0.004 0.000 0.266 456 T C 2.043 176.847 174.700 0.172 0.000 1.040 456 T CA 1.082 63.279 62.100 0.162 0.000 1.141 456 T CB -0.128 68.811 68.868 0.119 0.000 0.868 456 T HN 0.265 nan 8.240 nan 0.000 0.444 457 R N 0.564 121.149 120.500 0.141 0.000 2.083 457 R HA 0.022 4.365 4.340 0.004 0.000 0.237 457 R C 2.471 178.844 176.300 0.122 0.000 1.137 457 R CA 1.144 57.311 56.100 0.112 0.000 0.951 457 R CB -0.581 29.772 30.300 0.089 0.000 0.851 457 R HN 0.346 nan 8.270 nan 0.000 0.434 458 L N -0.907 120.417 121.223 0.168 0.000 2.083 458 L HA -0.205 4.138 4.340 0.004 0.000 0.209 458 L C 2.486 179.468 176.870 0.188 0.000 1.083 458 L CA 1.403 56.355 54.840 0.188 0.000 0.752 458 L CB -0.498 41.733 42.059 0.288 0.000 0.899 458 L HN 0.279 nan 8.230 nan 0.000 0.433 459 H N 0.324 119.465 119.070 0.118 0.000 2.293 459 H HA -0.178 4.380 4.556 0.004 0.000 0.300 459 H C 1.879 177.235 175.328 0.046 0.000 1.082 459 H CA 1.988 58.087 56.048 0.084 0.000 1.308 459 H CB 0.064 29.875 29.762 0.081 0.000 1.375 459 H HN 0.196 nan 8.280 nan 0.000 0.495 460 D N 0.274 120.731 120.400 0.096 0.000 2.178 460 D HA -0.113 4.529 4.640 0.004 0.000 0.201 460 D C 1.429 177.711 176.300 -0.030 0.000 0.980 460 D CA 1.103 55.115 54.000 0.021 0.000 0.842 460 D CB -0.153 40.691 40.800 0.072 0.000 0.948 460 D HN 0.622 nan 8.370 nan 0.000 0.472 461 E N -0.103 120.085 120.200 -0.019 0.000 2.489 461 E HA 0.257 4.610 4.350 0.004 0.000 0.193 461 E C 0.493 177.042 176.600 -0.085 0.000 1.057 461 E CA 0.228 56.603 56.400 -0.042 0.000 0.866 461 E CB 0.261 29.944 29.700 -0.028 0.000 0.916 461 E HN 0.121 nan 8.360 nan 0.000 0.500 462 A N 0.593 123.342 122.820 -0.119 0.000 2.687 462 A HA -0.215 4.108 4.320 0.004 0.000 0.299 462 A C 1.384 178.874 177.584 -0.156 0.000 1.497 462 A CA 0.567 52.512 52.037 -0.152 0.000 0.751 462 A CB -2.347 16.560 19.000 -0.155 0.000 1.048 462 A HN 0.206 nan 8.150 nan 0.000 0.464 463 V N -1.922 117.875 119.914 -0.194 0.000 2.427 463 V HA -0.093 4.029 4.120 0.004 0.000 0.248 463 V C 1.260 177.018 176.094 -0.559 0.000 1.051 463 V CA 1.978 64.034 62.300 -0.407 0.000 1.048 463 V CB -0.614 30.850 31.823 -0.599 0.000 0.666 463 V HN 0.661 nan 8.190 nan 0.000 0.456 464 Y N -1.366 118.918 120.300 -0.026 0.000 2.496 464 Y HA 0.643 5.196 4.550 0.004 0.000 0.331 464 Y C -0.123 175.736 175.900 -0.068 0.000 1.140 464 Y CA -1.132 56.951 58.100 -0.028 0.000 1.166 464 Y CB 1.535 39.988 38.460 -0.012 0.000 1.249 464 Y HN -0.118 nan 8.280 nan 0.000 0.479 465 L N 4.850 126.134 121.223 0.102 0.000 2.408 465 L HA 0.499 4.841 4.340 0.004 0.000 0.257 465 L C -2.790 174.084 176.870 0.007 0.000 1.053 465 L CA -2.098 52.746 54.840 0.007 0.000 0.922 465 L CB 1.091 43.125 42.059 -0.041 0.000 1.261 465 L HN 0.368 nan 8.230 nan 0.000 0.458 466 P HA 0.153 nan 4.420 nan 0.000 0.268 466 P C 0.228 177.457 177.300 -0.119 0.000 1.204 466 P CA 0.266 63.318 63.100 -0.079 0.000 0.768 466 P CB 1.258 32.904 31.700 -0.090 0.000 0.842 467 I N 0.441 120.925 120.570 -0.144 0.000 3.345 467 I HA 0.068 4.240 4.170 0.004 0.000 0.258 467 I C 0.626 176.609 176.117 -0.223 0.000 1.134 467 I CA 0.616 61.836 61.300 -0.133 0.000 1.457 467 I CB 0.166 38.135 38.000 -0.051 0.000 1.425 467 I HN 0.349 nan 8.210 nan 0.000 0.461 468 S N -0.892 114.648 115.700 -0.266 0.000 2.556 468 S HA 0.545 5.017 4.470 0.004 0.000 0.271 468 S C -1.414 172.974 174.600 -0.353 0.000 1.135 468 S CA -0.668 57.345 58.200 -0.312 0.000 0.858 468 S CB 1.365 64.467 63.200 -0.164 0.000 1.114 468 S HN 0.051 nan 8.310 nan 0.000 0.468 469 Y N 2.060 122.322 120.300 -0.064 0.000 2.367 469 Y HA 0.556 5.108 4.550 0.004 0.000 0.342 469 Y C 0.422 176.276 175.900 -0.077 0.000 0.979 469 Y CA -1.536 56.522 58.100 -0.070 0.000 1.161 469 Y CB 0.182 38.609 38.460 -0.055 0.000 1.155 469 Y HN 0.780 nan 8.280 nan 0.000 0.503 470 I N -0.736 119.867 120.570 0.055 0.000 2.664 470 I HA 0.788 4.960 4.170 0.004 0.000 0.308 470 I C 0.020 176.106 176.117 -0.052 0.000 0.984 470 I CA -0.519 60.763 61.300 -0.030 0.000 1.213 470 I CB 1.665 39.625 38.000 -0.067 0.000 1.379 470 I HN 0.287 nan 8.210 nan 0.000 0.501 471 S N 3.327 118.962 115.700 -0.108 0.000 2.664 471 S HA 0.638 5.111 4.470 0.004 0.000 0.304 471 S C -0.320 174.154 174.600 -0.209 0.000 1.099 471 S CA -0.670 57.434 58.200 -0.161 0.000 1.003 471 S CB 1.393 64.491 63.200 -0.170 0.000 1.092 471 S HN 0.688 nan 8.310 nan 0.000 0.525 472 M N 2.675 122.110 119.600 -0.275 0.000 2.243 472 M HA 0.376 4.859 4.480 0.004 0.000 0.341 472 M C -0.438 175.667 176.300 -0.326 0.000 1.130 472 M CA 0.418 55.528 55.300 -0.316 0.000 1.162 472 M CB 0.232 32.593 32.600 -0.398 0.000 1.497 472 M HN 0.653 nan 8.290 nan 0.000 0.456 473 M N 2.423 121.818 119.600 -0.342 0.000 2.591 473 M HA 0.827 5.310 4.480 0.004 0.000 0.306 473 M C -1.579 174.569 176.300 -0.253 0.000 1.190 473 M CA -1.052 54.044 55.300 -0.341 0.000 0.889 473 M CB 1.707 33.914 32.600 -0.654 0.000 1.728 473 M HN 0.330 nan 8.290 nan 0.000 0.458 474 V N 2.053 121.919 119.914 -0.080 0.000 2.709 474 V HA 0.720 4.843 4.120 0.004 0.000 0.308 474 V C -0.794 175.325 176.094 0.040 0.000 1.062 474 V CA -0.697 61.582 62.300 -0.036 0.000 0.901 474 V CB 2.276 34.087 31.823 -0.021 0.000 1.003 474 V HN 0.789 nan 8.190 nan 0.000 0.425 475 V N 3.370 123.234 119.914 -0.083 0.000 2.588 475 V HA 0.853 4.976 4.120 0.004 0.000 0.304 475 V C -0.275 175.589 176.094 -0.384 0.000 1.042 475 V CA -0.302 61.797 62.300 -0.334 0.000 0.877 475 V CB 2.102 33.584 31.823 -0.569 0.000 0.996 475 V HN 1.071 nan 8.190 nan 0.000 0.425 476 S N 3.284 118.885 115.700 -0.165 0.000 2.556 476 S HA 0.602 5.074 4.470 0.004 0.000 0.271 476 S C -1.109 173.766 174.600 0.458 0.000 1.135 476 S CA -1.238 57.082 58.200 0.201 0.000 0.858 476 S CB 1.846 65.174 63.200 0.213 0.000 1.114 476 S HN 0.540 nan 8.310 nan 0.000 0.468 477 K N 1.541 122.202 120.400 0.434 0.000 2.451 477 K HA 0.147 4.470 4.320 0.004 0.000 0.280 477 K C -1.915 174.785 176.600 0.167 0.000 1.020 477 K CA -1.432 55.007 56.287 0.254 0.000 1.008 477 K CB 0.103 32.671 32.500 0.113 0.000 0.917 477 K HN 0.348 nan 8.250 nan 0.000 0.478 478 P HA -0.284 nan 4.420 nan 0.000 0.217 478 P C 1.075 178.364 177.300 -0.018 0.000 1.151 478 P CA 1.504 64.627 63.100 0.040 0.000 0.849 478 P CB 0.081 31.802 31.700 0.034 0.000 0.787 479 E N -0.058 120.145 120.200 0.004 0.000 2.265 479 E HA -0.155 4.198 4.350 0.004 0.000 0.196 479 E C 1.610 178.205 176.600 -0.009 0.000 0.996 479 E CA 0.901 57.296 56.400 -0.008 0.000 0.832 479 E CB -1.087 28.611 29.700 -0.003 0.000 0.756 479 E HN 0.273 nan 8.360 nan 0.000 0.491 480 L N 0.740 121.967 121.223 0.007 0.000 2.478 480 L HA 0.101 4.443 4.340 0.004 0.000 0.223 480 L C 1.398 178.253 176.870 -0.026 0.000 1.140 480 L CA 0.443 55.290 54.840 0.012 0.000 0.842 480 L CB -0.973 41.117 42.059 0.052 0.000 0.953 480 L HN 0.419 nan 8.230 nan 0.000 0.452 481 G N 0.898 109.645 108.800 -0.088 0.000 2.645 481 G HA2 -0.352 3.610 3.960 0.004 0.000 0.239 481 G HA3 -0.352 3.610 3.960 0.004 0.000 0.239 481 G C -0.222 174.560 174.900 -0.196 0.000 1.331 481 G CA -0.069 44.941 45.100 -0.150 0.000 0.890 481 G HN 0.413 nan 8.290 nan 0.000 0.572 482 N N 0.057 118.671 118.700 -0.144 0.000 2.483 482 N HA 0.366 5.108 4.740 0.004 0.000 0.264 482 N C 0.269 175.761 175.510 -0.030 0.000 1.197 482 N CA -0.292 52.723 53.050 -0.058 0.000 0.927 482 N CB 0.191 38.663 38.487 -0.026 0.000 1.065 482 N HN 0.538 nan 8.380 nan 0.000 0.461 483 I N 5.175 125.739 120.570 -0.010 0.000 2.312 483 I HA 0.349 4.522 4.170 0.004 0.000 0.290 483 I C -2.026 173.949 176.117 -0.237 0.000 1.008 483 I CA -2.530 58.734 61.300 -0.061 0.000 1.226 483 I CB 0.678 38.693 38.000 0.024 0.000 1.371 483 I HN 0.506 nan 8.210 nan 0.000 0.468 484 P HA 0.284 nan 4.420 nan 0.000 0.276 484 P C -1.284 175.861 177.300 -0.257 0.000 1.244 484 P CA -0.148 62.807 63.100 -0.241 0.000 0.801 484 P CB 0.441 32.093 31.700 -0.079 0.000 1.006 485 Y N -0.437 119.939 120.300 0.126 0.000 2.361 485 Y HA 0.549 5.101 4.550 0.003 0.000 0.332 485 Y C 0.968 176.934 175.900 0.110 0.000 1.101 485 Y CA -1.257 56.947 58.100 0.173 0.000 1.137 485 Y CB 1.059 39.584 38.460 0.108 0.000 1.207 485 Y HN 0.346 nan 8.280 nan 0.000 0.463 486 A N 4.133 127.112 122.820 0.265 0.000 2.425 486 A HA 0.281 4.604 4.320 0.004 0.000 0.249 486 A C -1.545 176.151 177.584 0.186 0.000 1.084 486 A CA -1.283 50.847 52.037 0.154 0.000 0.781 486 A CB 0.043 19.097 19.000 0.089 0.000 1.019 486 A HN 0.654 nan 8.150 nan 0.000 0.490 487 P HA -0.087 nan 4.420 nan 0.000 0.216 487 P C 0.178 177.661 177.300 0.304 0.000 1.150 487 P CA 1.102 64.335 63.100 0.221 0.000 0.837 487 P CB -0.083 31.722 31.700 0.174 0.000 0.786 488 I N -0.121 120.595 120.570 0.243 0.000 2.337 488 I HA 0.121 4.294 4.170 0.004 0.000 0.291 488 I C 1.645 177.864 176.117 0.170 0.000 1.046 488 I CA -0.508 60.883 61.300 0.151 0.000 1.324 488 I CB 1.288 39.337 38.000 0.080 0.000 1.409 488 I HN -0.095 nan 8.210 nan 0.000 0.494 489 A N 4.720 127.651 122.820 0.185 0.000 1.986 489 A HA -0.204 4.118 4.320 0.004 0.000 0.220 489 A C 2.066 179.767 177.584 0.196 0.000 1.171 489 A CA 2.451 54.597 52.037 0.183 0.000 0.640 489 A CB -0.812 18.294 19.000 0.177 0.000 0.811 489 A HN 0.808 nan 8.150 nan 0.000 0.451 490 T N -2.203 112.474 114.554 0.205 0.000 3.129 490 T HA 0.218 4.571 4.350 0.004 0.000 0.251 490 T C 0.406 175.206 174.700 0.167 0.000 1.117 490 T CA 0.150 62.361 62.100 0.185 0.000 1.034 490 T CB -0.069 68.892 68.868 0.156 0.000 0.968 490 T HN 0.560 nan 8.240 nan 0.000 0.526 491 E N 0.694 120.977 120.200 0.138 0.000 2.250 491 E HA 0.628 4.980 4.350 0.004 0.000 0.269 491 E C -0.778 175.797 176.600 -0.042 0.000 1.018 491 E CA -0.839 55.605 56.400 0.074 0.000 0.873 491 E CB 1.672 31.406 29.700 0.057 0.000 1.134 491 E HN 0.352 nan 8.360 nan 0.000 0.403 492 I N 2.674 123.108 120.570 -0.227 0.000 2.439 492 I HA 0.216 4.388 4.170 0.004 0.000 0.285 492 I C -2.167 173.554 176.117 -0.659 0.000 1.021 492 I CA -2.100 58.742 61.300 -0.765 0.000 1.091 492 I CB 2.023 39.273 38.000 -1.249 0.000 1.242 492 I HN 0.238 nan 8.210 nan 0.000 0.439 493 P HA 0.156 nan 4.420 nan 0.000 0.218 493 P C 0.694 177.876 177.300 -0.197 0.000 1.793 493 P CA -0.140 62.819 63.100 -0.235 0.000 0.941 493 P CB -0.321 31.309 31.700 -0.118 0.000 1.919 494 F N 1.782 121.687 119.950 -0.076 0.000 2.192 494 F HA -0.215 4.315 4.527 0.004 0.000 0.301 494 F C 2.406 178.348 175.800 0.236 0.000 1.079 494 F CA 1.306 59.279 58.000 -0.044 0.000 1.303 494 F CB -0.483 38.316 39.000 -0.336 0.000 1.024 494 F HN 0.188 nan 8.300 nan 0.000 0.494 495 E N 0.334 120.847 120.200 0.521 0.000 2.418 495 E HA -0.172 4.180 4.350 0.004 0.000 0.197 495 E C 1.249 177.949 176.600 0.165 0.000 1.026 495 E CA 0.861 57.474 56.400 0.356 0.000 0.862 495 E CB -0.447 29.335 29.700 0.138 0.000 0.799 495 E HN 0.449 nan 8.360 nan 0.000 0.518 496 Q N 0.391 120.265 119.800 0.123 0.000 2.356 496 Q HA 0.286 4.628 4.340 0.004 0.000 0.205 496 Q C 0.618 176.648 176.000 0.052 0.000 0.901 496 Q CA -0.059 55.781 55.803 0.062 0.000 0.938 496 Q CB 0.690 29.443 28.738 0.026 0.000 1.081 496 Q HN 0.377 nan 8.270 nan 0.000 0.517 497 I N 2.774 123.393 120.570 0.081 0.000 2.396 497 I HA 0.039 4.211 4.170 0.004 0.000 0.289 497 I C 0.235 176.394 176.117 0.070 0.000 1.056 497 I CA 0.137 61.477 61.300 0.067 0.000 1.365 497 I CB 0.437 38.490 38.000 0.089 0.000 1.407 497 I HN -0.354 nan 8.210 nan 0.000 0.509 498 K N 8.496 128.920 120.400 0.040 0.000 2.478 498 K HA 0.435 4.757 4.320 0.004 0.000 0.236 498 K C -2.488 174.124 176.600 0.021 0.000 1.021 498 K CA -1.363 54.943 56.287 0.032 0.000 1.010 498 K CB 1.600 34.112 32.500 0.020 0.000 1.331 498 K HN 0.354 nan 8.250 nan 0.000 0.470 499 P HA 0.413 nan 4.420 nan 0.000 0.344 499 P C -0.445 176.861 177.300 0.011 0.000 1.282 499 P CA -0.623 62.487 63.100 0.017 0.000 0.769 499 P CB 1.155 32.871 31.700 0.026 0.000 1.561 500 V N 0.000 119.918 119.914 0.007 0.000 2.409 500 V HA 0.000 4.123 4.120 0.004 0.000 0.244 500 V CA 0.000 62.303 62.300 0.005 0.000 1.235 500 V CB 0.000 31.822 31.823 -0.002 0.000 1.184 500 V HN 0.000 nan 8.190 nan 0.000 0.556