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 3mz9_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 IPFEQIKP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.580 177.584 -0.007 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 2 A CB 0.000 18.989 19.000 -0.017 0.000 0.831 3 P HA -0.010 nan 4.420 nan 0.000 0.226 3 P C -0.119 177.188 177.300 0.011 0.000 1.153 3 P CA 1.743 64.844 63.100 0.002 0.000 0.777 3 P CB -0.112 31.589 31.700 0.002 0.000 0.794 4 D N -1.180 119.229 120.400 0.016 0.000 2.593 4 D HA 0.116 4.758 4.640 0.003 0.000 0.241 4 D C -0.138 176.182 176.300 0.034 0.000 1.257 4 D CA -0.331 53.688 54.000 0.032 0.000 0.828 4 D CB -0.074 40.748 40.800 0.036 0.000 1.049 4 D HN 0.132 nan 8.370 nan 0.000 0.490 5 E N 0.568 120.775 120.200 0.011 0.000 2.272 5 E HA 0.562 4.914 4.350 0.003 0.000 0.269 5 E C -0.380 176.199 176.600 -0.036 0.000 0.877 5 E CA -0.970 55.424 56.400 -0.010 0.000 0.755 5 E CB 2.719 32.410 29.700 -0.016 0.000 1.192 5 E HN 0.283 nan 8.360 nan 0.000 0.422 6 I N -1.684 118.840 120.570 -0.077 0.000 2.892 6 I HA 0.676 4.848 4.170 0.003 0.000 0.306 6 I C -0.630 175.388 176.117 -0.164 0.000 1.078 6 I CA -0.610 60.630 61.300 -0.099 0.000 1.032 6 I CB 2.507 40.454 38.000 -0.089 0.000 1.229 6 I HN 0.188 nan 8.210 nan 0.000 0.435 7 T N 2.177 116.649 114.554 -0.138 0.000 2.861 7 T HA 0.616 4.967 4.350 0.003 0.000 0.287 7 T C -0.380 174.230 174.700 -0.149 0.000 1.003 7 T CA -0.430 61.573 62.100 -0.161 0.000 0.977 7 T CB 1.865 70.677 68.868 -0.092 0.000 0.996 7 T HN 0.910 nan 8.240 nan 0.000 0.448 8 T N 0.564 114.977 114.554 -0.236 0.000 2.591 8 T HA 0.860 5.212 4.350 0.003 0.000 0.274 8 T C -1.698 173.001 174.700 -0.000 0.000 0.945 8 T CA -0.289 61.730 62.100 -0.134 0.000 1.087 8 T CB 1.244 69.978 68.868 -0.223 0.000 1.416 8 T HN 0.872 nan 8.240 nan 0.000 0.514 9 A N 0.204 123.117 122.820 0.155 0.000 2.539 9 A HA 0.746 5.068 4.320 0.003 0.000 0.296 9 A C -1.929 175.957 177.584 0.503 0.000 1.073 9 A CA -0.707 51.499 52.037 0.282 0.000 0.700 9 A CB 1.438 20.542 19.000 0.172 0.000 1.296 9 A HN 0.710 nan 8.150 nan 0.000 0.405 10 W N 1.737 123.175 121.300 0.229 0.000 3.107 10 W HA 0.429 5.090 4.660 0.003 0.000 0.331 10 W C -2.623 173.974 176.519 0.131 0.000 1.204 10 W CA -1.919 55.533 57.345 0.178 0.000 1.184 10 W CB 2.431 32.039 29.460 0.247 0.000 1.421 10 W HN 0.521 nan 8.180 nan 0.000 0.544 11 P HA -0.101 nan 4.420 nan 0.000 0.223 11 P C 0.281 177.596 177.300 0.026 0.000 1.151 11 P CA 1.351 64.360 63.100 -0.151 0.000 0.787 11 P CB 0.284 31.808 31.700 -0.293 0.000 0.788 12 V N -5.004 115.021 119.914 0.186 0.000 3.160 12 V HA 0.498 4.620 4.120 0.003 0.000 0.310 12 V C -0.422 175.864 176.094 0.320 0.000 1.181 12 V CA -1.637 60.797 62.300 0.225 0.000 1.047 12 V CB 1.224 33.157 31.823 0.184 0.000 1.068 12 V HN -0.269 nan 8.190 nan 0.000 0.441 13 N N 0.229 119.035 118.700 0.176 0.000 2.381 13 N HA 0.276 5.018 4.740 0.003 0.000 0.241 13 N C 1.268 176.830 175.510 0.087 0.000 1.279 13 N CA 0.374 53.496 53.050 0.120 0.000 0.896 13 N CB 1.283 39.788 38.487 0.029 0.000 1.118 13 N HN 0.909 nan 8.380 nan 0.000 0.438 14 V N -0.847 119.055 119.914 -0.019 0.000 2.913 14 V HA 0.173 4.295 4.120 0.003 0.000 0.260 14 V C 1.090 177.105 176.094 -0.131 0.000 1.098 14 V CA 1.004 63.203 62.300 -0.170 0.000 1.121 14 V CB -1.732 29.928 31.823 -0.271 0.000 0.714 14 V HN 0.924 nan 8.190 nan 0.000 0.487 15 G N 0.573 109.327 108.800 -0.076 0.000 2.660 15 G HA2 -0.151 3.811 3.960 0.003 0.000 0.215 15 G HA3 -0.151 3.811 3.960 0.003 0.000 0.215 15 G C -1.291 173.561 174.900 -0.080 0.000 1.345 15 G CA -0.106 44.953 45.100 -0.069 0.000 0.877 15 G HN 0.372 nan 8.290 nan 0.000 0.549 16 P HA 0.113 nan 4.420 nan 0.000 0.229 16 P C 1.199 178.472 177.300 -0.044 0.000 1.160 16 P CA 1.272 64.335 63.100 -0.062 0.000 0.777 16 P CB -0.096 31.569 31.700 -0.058 0.000 0.814 17 L N -1.669 119.529 121.223 -0.041 0.000 3.548 17 L HA -0.179 4.163 4.340 0.003 0.000 0.443 17 L C 0.246 177.153 176.870 0.061 0.000 1.286 17 L CA -0.237 54.625 54.840 0.037 0.000 0.863 17 L CB -2.590 39.516 42.059 0.078 0.000 1.734 17 L HN 0.199 nan 8.230 nan 0.000 0.873 18 N N 2.654 121.302 118.700 -0.086 0.000 2.452 18 N HA 0.140 4.881 4.740 0.003 0.000 0.266 18 N C -0.867 174.413 175.510 -0.384 0.000 1.175 18 N CA -1.412 51.503 53.050 -0.225 0.000 0.945 18 N CB 1.212 39.579 38.487 -0.200 0.000 1.063 18 N HN 0.120 nan 8.380 nan 0.000 0.472 19 P HA -0.061 nan 4.420 nan 0.000 0.229 19 P C -0.083 176.859 177.300 -0.596 0.000 1.160 19 P CA 1.326 63.872 63.100 -0.923 0.000 0.777 19 P CB 0.114 30.865 31.700 -1.580 0.000 0.814 20 H N -1.942 116.862 119.070 -0.443 0.000 2.672 20 H HA 0.335 4.893 4.556 0.003 0.000 0.277 20 H C 0.861 175.950 175.328 -0.398 0.000 1.074 20 H CA -0.535 55.252 56.048 -0.435 0.000 1.173 20 H CB 0.365 29.906 29.762 -0.369 0.000 1.558 20 H HN 0.060 nan 8.280 nan 0.000 0.539 21 L N -0.477 120.534 121.223 -0.352 0.000 2.256 21 L HA 0.359 4.701 4.340 0.003 0.000 0.261 21 L C -0.463 176.080 176.870 -0.545 0.000 1.022 21 L CA -1.083 53.522 54.840 -0.392 0.000 0.828 21 L CB 1.424 43.379 42.059 -0.173 0.000 1.374 21 L HN 0.094 nan 8.230 nan 0.000 0.436 22 Y N -0.993 119.296 120.300 -0.020 0.000 3.252 22 Y HA 0.203 4.755 4.550 0.003 0.000 0.369 22 Y C 1.042 176.901 175.900 -0.068 0.000 1.223 22 Y CA -0.194 57.877 58.100 -0.048 0.000 1.036 22 Y CB -0.085 38.343 38.460 -0.055 0.000 1.152 22 Y HN 0.388 nan 8.280 nan 0.000 0.885 23 T N 3.507 118.129 114.554 0.115 0.000 2.946 23 T HA 0.036 4.387 4.350 0.003 0.000 0.311 23 T C -1.683 173.008 174.700 -0.015 0.000 1.063 23 T CA -1.012 61.095 62.100 0.012 0.000 1.139 23 T CB 0.262 69.105 68.868 -0.041 0.000 0.994 23 T HN 0.326 nan 8.240 nan 0.000 0.547 24 P HA 0.125 nan 4.420 nan 0.000 0.257 24 P C -0.426 176.861 177.300 -0.022 0.000 1.281 24 P CA -0.217 62.870 63.100 -0.021 0.000 0.826 24 P CB -0.192 31.492 31.700 -0.027 0.000 1.237 25 N N 1.365 120.038 118.700 -0.044 0.000 2.483 25 N HA 0.049 4.791 4.740 0.003 0.000 0.264 25 N C 0.164 175.627 175.510 -0.078 0.000 1.197 25 N CA 0.145 53.147 53.050 -0.080 0.000 0.927 25 N CB 0.193 38.617 38.487 -0.105 0.000 1.065 25 N HN 0.036 nan 8.380 nan 0.000 0.461 26 Q N 2.467 122.172 119.800 -0.159 0.000 2.279 26 Q HA 0.157 4.498 4.340 0.003 0.000 0.256 26 Q C 0.777 176.582 176.000 -0.325 0.000 0.937 26 Q CA -0.012 55.677 55.803 -0.190 0.000 0.933 26 Q CB 1.235 29.788 28.738 -0.308 0.000 1.189 26 Q HN 0.712 nan 8.270 nan 0.000 0.417 27 M N 1.630 121.157 119.600 -0.121 0.000 2.149 27 M HA -0.177 4.304 4.480 0.003 0.000 0.261 27 M C 1.606 177.814 176.300 -0.153 0.000 1.064 27 M CA 1.742 56.990 55.300 -0.087 0.000 1.102 27 M CB -0.505 32.110 32.600 0.024 0.000 1.369 27 M HN 0.644 nan 8.290 nan 0.000 0.408 28 F N 0.390 120.221 119.950 -0.198 0.000 2.171 28 F HA 0.022 4.552 4.527 0.004 0.000 0.300 28 F C 2.268 177.903 175.800 -0.275 0.000 1.090 28 F CA 1.021 58.874 58.000 -0.245 0.000 1.293 28 F CB -1.027 37.736 39.000 -0.395 0.000 1.013 28 F HN -0.003 nan 8.300 nan 0.000 0.486 29 A N 0.430 122.352 122.820 -1.496 0.000 1.930 29 A HA -0.099 4.223 4.320 0.003 0.000 0.215 29 A C 2.220 179.551 177.584 -0.422 0.000 1.176 29 A CA 1.229 52.583 52.037 -1.138 0.000 0.632 29 A CB -0.845 17.408 19.000 -1.244 0.000 0.819 29 A HN 0.569 nan 8.150 nan 0.000 0.445 30 Q N -0.163 119.476 119.800 -0.269 0.000 2.096 30 Q HA -0.124 4.218 4.340 0.003 0.000 0.204 30 Q C 2.274 178.317 176.000 0.072 0.000 0.982 30 Q CA 1.810 57.632 55.803 0.031 0.000 0.850 30 Q CB -0.200 28.557 28.738 0.031 0.000 0.901 30 Q HN 0.595 nan 8.270 nan 0.000 0.422 31 S N 0.108 115.799 115.700 -0.014 0.000 2.447 31 S HA -0.045 4.427 4.470 0.003 0.000 0.233 31 S C 1.731 176.371 174.600 0.066 0.000 1.006 31 S CA 0.816 59.046 58.200 0.050 0.000 0.957 31 S CB -0.025 63.203 63.200 0.047 0.000 0.773 31 S HN 0.325 nan 8.310 nan 0.000 0.507 32 M N 0.026 119.624 119.600 -0.004 0.000 2.254 32 M HA -0.007 4.475 4.480 0.003 0.000 0.265 32 M C 1.712 178.085 176.300 0.121 0.000 1.066 32 M CA 1.070 56.429 55.300 0.098 0.000 1.123 32 M CB -0.068 32.408 32.600 -0.206 0.000 1.388 32 M HN 0.161 nan 8.290 nan 0.000 0.425 33 V N -1.910 117.973 119.914 -0.052 0.000 2.922 33 V HA -0.000 4.122 4.120 0.003 0.000 0.242 33 V C 0.012 175.911 176.094 -0.326 0.000 1.094 33 V CA 0.632 62.779 62.300 -0.256 0.000 1.106 33 V CB -0.067 31.432 31.823 -0.541 0.000 0.799 33 V HN 0.168 nan 8.190 nan 0.000 0.474 34 Y N 0.286 120.665 120.300 0.132 0.000 2.446 34 Y HA 0.666 5.218 4.550 0.003 0.000 0.338 34 Y C 0.217 176.226 175.900 0.182 0.000 1.055 34 Y CA -1.348 56.844 58.100 0.153 0.000 1.101 34 Y CB 1.113 39.614 38.460 0.068 0.000 1.221 34 Y HN 0.110 nan 8.280 nan 0.000 0.460 35 E N 3.677 124.137 120.200 0.433 0.000 2.312 35 E HA 0.465 4.817 4.350 0.003 0.000 0.267 35 E C -2.812 174.046 176.600 0.431 0.000 0.894 35 E CA -2.263 54.399 56.400 0.437 0.000 0.773 35 E CB 2.811 32.869 29.700 0.597 0.000 1.241 35 E HN 0.261 nan 8.360 nan 0.000 0.432 36 P HA 0.264 nan 4.420 nan 0.000 0.287 36 P C 0.453 178.003 177.300 0.417 0.000 1.292 36 P CA -0.551 62.754 63.100 0.342 0.000 0.879 36 P CB 1.455 33.240 31.700 0.142 0.000 1.214 37 L N -0.204 121.221 121.223 0.336 0.000 2.083 37 L HA -0.015 4.326 4.340 0.003 0.000 0.209 37 L C 1.201 178.170 176.870 0.165 0.000 1.083 37 L CA 1.469 56.398 54.840 0.148 0.000 0.752 37 L CB -0.508 41.471 42.059 -0.135 0.000 0.899 37 L HN 0.268 nan 8.230 nan 0.000 0.433 38 V N -3.514 116.461 119.914 0.102 0.000 2.925 38 V HA 0.486 4.608 4.120 0.003 0.000 0.311 38 V C -0.747 175.401 176.094 0.089 0.000 1.104 38 V CA -1.115 61.260 62.300 0.124 0.000 0.954 38 V CB 2.242 33.989 31.823 -0.126 0.000 1.022 38 V HN 0.005 nan 8.190 nan 0.000 0.427 39 K N 2.337 122.792 120.400 0.091 0.000 2.244 39 K HA 0.497 4.818 4.320 0.003 0.000 0.260 39 K C -1.362 175.236 176.600 -0.003 0.000 0.951 39 K CA -0.841 55.373 56.287 -0.121 0.000 0.826 39 K CB 1.555 33.740 32.500 -0.525 0.000 1.108 39 K HN 0.854 nan 8.250 nan 0.000 0.433 40 Y N 3.312 123.545 120.300 -0.111 0.000 2.425 40 Y HA 0.036 4.588 4.550 0.003 0.000 0.331 40 Y C -0.383 175.496 175.900 -0.035 0.000 1.157 40 Y CA 0.478 58.546 58.100 -0.054 0.000 1.372 40 Y CB 0.750 39.178 38.460 -0.053 0.000 1.253 40 Y HN 0.484 nan 8.280 nan 0.000 0.536 41 Q N 4.135 123.503 119.800 -0.721 0.000 2.301 41 Q HA 0.475 4.817 4.340 0.003 0.000 0.267 41 Q C 0.688 176.244 176.000 -0.741 0.000 1.035 41 Q CA -0.074 55.422 55.803 -0.513 0.000 0.856 41 Q CB 1.885 30.468 28.738 -0.259 0.000 1.337 41 Q HN 0.891 nan 8.270 nan 0.000 0.450 42 A N 1.710 124.344 122.820 -0.311 0.000 2.024 42 A HA -0.210 4.111 4.320 0.003 0.000 0.220 42 A C 1.205 178.700 177.584 -0.149 0.000 1.164 42 A CA 2.162 54.104 52.037 -0.159 0.000 0.643 42 A CB -0.377 18.606 19.000 -0.029 0.000 0.806 42 A HN 0.782 nan 8.150 nan 0.000 0.451 43 D N -2.050 118.251 120.400 -0.164 0.000 2.363 43 D HA 0.224 4.866 4.640 0.003 0.000 0.226 43 D C 1.180 177.421 176.300 -0.098 0.000 1.020 43 D CA 1.094 55.037 54.000 -0.096 0.000 0.892 43 D CB -0.561 40.203 40.800 -0.059 0.000 0.900 43 D HN 0.841 nan 8.370 nan 0.000 0.531 44 G N -0.060 108.603 108.800 -0.228 0.000 2.176 44 G HA2 -0.261 3.701 3.960 0.003 0.000 0.232 44 G HA3 -0.261 3.701 3.960 0.003 0.000 0.232 44 G C 0.410 175.299 174.900 -0.019 0.000 0.986 44 G CA 0.400 45.468 45.100 -0.053 0.000 0.643 44 G HN 0.802 nan 8.290 nan 0.000 0.522 45 S N -0.688 114.945 115.700 -0.112 0.000 2.713 45 S HA 0.845 5.317 4.470 0.003 0.000 0.277 45 S C 0.394 174.986 174.600 -0.012 0.000 1.168 45 S CA -0.008 58.195 58.200 0.004 0.000 0.994 45 S CB 2.140 65.359 63.200 0.033 0.000 1.054 45 S HN 1.801 nan 8.310 nan 0.000 0.555 46 V N -1.012 118.968 119.914 0.109 0.000 2.815 46 V HA 0.806 4.928 4.120 0.003 0.000 0.314 46 V C -0.239 175.996 176.094 0.236 0.000 1.064 46 V CA -1.224 61.158 62.300 0.137 0.000 0.952 46 V CB 0.872 32.773 31.823 0.131 0.000 1.020 46 V HN 1.076 nan 8.190 nan 0.000 0.439 47 I N -0.646 120.076 120.570 0.253 0.000 2.648 47 I HA 0.779 4.950 4.170 0.003 0.000 0.304 47 I C -2.702 173.728 176.117 0.523 0.000 1.009 47 I CA -2.815 58.700 61.300 0.358 0.000 1.114 47 I CB 1.878 40.052 38.000 0.291 0.000 1.293 47 I HN 0.366 nan 8.210 nan 0.000 0.449 48 P HA -0.022 nan 4.420 nan 0.000 0.265 48 P C -0.919 176.755 177.300 0.624 0.000 1.187 48 P CA 0.237 63.740 63.100 0.672 0.000 0.766 48 P CB 0.513 32.476 31.700 0.438 0.000 0.820 49 W N 2.685 124.136 121.300 0.252 0.000 4.477 49 W HA 0.088 4.750 4.660 0.003 0.000 0.616 49 W C 1.117 177.605 176.519 -0.051 0.000 3.466 49 W CA -0.066 57.394 57.345 0.192 0.000 1.137 49 W CB -0.452 29.139 29.460 0.219 0.000 2.122 49 W HN -0.020 nan 8.180 nan 0.000 0.351 50 L N 1.889 123.096 121.223 -0.027 0.000 2.131 50 L HA 0.058 4.399 4.340 0.003 0.000 0.210 50 L C 1.239 178.046 176.870 -0.103 0.000 1.092 50 L CA 1.440 56.058 54.840 -0.369 0.000 0.759 50 L CB -1.649 40.143 42.059 -0.445 0.000 0.903 50 L HN 0.116 nan 8.230 nan 0.000 0.435 51 A N -0.999 121.890 122.820 0.115 0.000 2.276 51 A HA 0.207 4.529 4.320 0.003 0.000 0.300 51 A C 1.345 179.129 177.584 0.333 0.000 1.235 51 A CA -0.389 51.817 52.037 0.281 0.000 0.867 51 A CB 0.257 19.533 19.000 0.460 0.000 1.137 51 A HN 0.198 nan 8.150 nan 0.000 0.527 52 K N 0.949 121.474 120.400 0.209 0.000 2.057 52 K HA -0.057 4.265 4.320 0.003 0.000 0.207 52 K C 0.567 177.279 176.600 0.187 0.000 1.049 52 K CA 1.659 58.029 56.287 0.138 0.000 0.931 52 K CB -0.060 32.468 32.500 0.047 0.000 0.714 52 K HN 0.923 nan 8.250 nan 0.000 0.440 53 S N -1.746 114.118 115.700 0.274 0.000 2.611 53 S HA 0.542 5.013 4.470 0.003 0.000 0.268 53 S C -1.970 172.832 174.600 0.337 0.000 1.156 53 S CA -1.234 57.006 58.200 0.066 0.000 0.817 53 S CB 0.902 64.060 63.200 -0.071 0.000 1.122 53 S HN 0.375 nan 8.310 nan 0.000 0.466 54 W N -0.236 121.095 121.300 0.053 0.000 3.248 54 W HA 0.748 5.409 4.660 0.003 0.000 0.311 54 W C -1.111 175.345 176.519 -0.105 0.000 1.258 54 W CA -0.408 56.885 57.345 -0.086 0.000 1.191 54 W CB 0.540 29.817 29.460 -0.306 0.000 1.389 54 W HN 1.048 nan 8.180 nan 0.000 0.561 55 T N -0.989 113.579 114.554 0.023 0.000 2.906 55 T HA 0.722 5.074 4.350 0.003 0.000 0.295 55 T C -0.941 173.603 174.700 -0.261 0.000 1.075 55 T CA -0.735 61.282 62.100 -0.138 0.000 1.005 55 T CB 1.965 70.735 68.868 -0.163 0.000 1.136 55 T HN 1.127 nan 8.240 nan 0.000 0.498 56 H N -0.440 118.312 119.070 -0.530 0.000 2.851 56 H HA 0.628 5.185 4.556 0.003 0.000 0.372 56 H C -0.221 174.837 175.328 -0.450 0.000 1.158 56 H CA -0.796 54.778 56.048 -0.789 0.000 1.159 56 H CB 1.284 29.995 29.762 -1.751 0.000 1.757 56 H HN 0.883 nan 8.280 nan 0.000 0.546 57 S N 0.858 116.389 115.700 -0.281 0.000 2.572 57 S HA -0.110 4.362 4.470 0.003 0.000 0.267 57 S C 1.285 175.791 174.600 -0.156 0.000 1.361 57 S CA 0.214 58.302 58.200 -0.187 0.000 1.009 57 S CB 0.742 63.887 63.200 -0.092 0.000 0.888 57 S HN 0.846 nan 8.310 nan 0.000 0.553 58 E N 0.767 120.891 120.200 -0.128 0.000 2.118 58 E HA -0.263 4.089 4.350 0.003 0.000 0.195 58 E C 1.078 177.663 176.600 -0.026 0.000 0.992 58 E CA 1.491 57.837 56.400 -0.089 0.000 0.804 58 E CB -0.563 29.090 29.700 -0.078 0.000 0.741 58 E HN 0.850 nan 8.360 nan 0.000 0.458 59 D N 0.314 120.701 120.400 -0.022 0.000 2.363 59 D HA -0.002 4.640 4.640 0.003 0.000 0.220 59 D C 1.459 177.766 176.300 0.012 0.000 0.994 59 D CA 0.828 54.819 54.000 -0.016 0.000 0.890 59 D CB -0.079 40.716 40.800 -0.009 0.000 0.906 59 D HN 0.418 nan 8.370 nan 0.000 0.530 60 G N 0.489 109.333 108.800 0.073 0.000 2.155 60 G HA2 -0.399 3.562 3.960 0.003 0.000 0.257 60 G HA3 -0.399 3.562 3.960 0.003 0.000 0.257 60 G C 1.023 176.058 174.900 0.225 0.000 0.983 60 G CA 0.743 45.913 45.100 0.117 0.000 0.676 60 G HN 0.498 nan 8.290 nan 0.000 0.528 61 K N -0.863 119.622 120.400 0.141 0.000 2.335 61 K HA 0.168 4.489 4.320 0.003 0.000 0.195 61 K C 0.687 177.404 176.600 0.195 0.000 1.058 61 K CA 0.904 57.284 56.287 0.155 0.000 0.988 61 K CB 0.517 33.060 32.500 0.072 0.000 0.880 61 K HN 0.274 nan 8.250 nan 0.000 0.513 62 T N 0.941 115.572 114.554 0.128 0.000 2.758 62 T HA 0.308 4.659 4.350 0.003 0.000 0.285 62 T C -1.365 173.393 174.700 0.097 0.000 0.981 62 T CA -0.456 61.718 62.100 0.124 0.000 0.965 62 T CB 0.563 69.454 68.868 0.038 0.000 0.927 62 T HN 0.060 nan 8.240 nan 0.000 0.448 63 W N 2.177 123.481 121.300 0.007 0.000 2.656 63 W HA 0.515 5.177 4.660 0.003 0.000 0.327 63 W C 0.140 176.667 176.519 0.015 0.000 1.041 63 W CA -0.811 56.543 57.345 0.015 0.000 1.229 63 W CB 1.480 30.984 29.460 0.074 0.000 1.397 63 W HN 0.573 nan 8.180 nan 0.000 0.479 64 T N 0.684 115.302 114.554 0.107 0.000 2.815 64 T HA 0.649 5.001 4.350 0.003 0.000 0.289 64 T C -0.987 173.766 174.700 0.088 0.000 1.000 64 T CA -0.560 61.621 62.100 0.135 0.000 0.958 64 T CB 0.170 69.087 68.868 0.082 0.000 0.944 64 T HN 0.112 nan 8.240 nan 0.000 0.442 65 F N 2.106 122.219 119.950 0.271 0.000 2.408 65 F HA 0.445 4.974 4.527 0.003 0.000 0.344 65 F C 1.151 177.067 175.800 0.192 0.000 1.112 65 F CA -0.725 57.457 58.000 0.302 0.000 1.096 65 F CB 1.715 40.866 39.000 0.252 0.000 1.129 65 F HN 0.491 nan 8.300 nan 0.000 0.486 66 T N 5.364 120.122 114.554 0.341 0.000 2.738 66 T HA 0.427 4.778 4.350 0.003 0.000 0.298 66 T C 0.120 174.941 174.700 0.202 0.000 0.962 66 T CA -0.535 61.684 62.100 0.199 0.000 0.972 66 T CB 0.103 69.040 68.868 0.115 0.000 0.928 66 T HN 0.282 nan 8.240 nan 0.000 0.474 67 L N 3.172 124.475 121.223 0.132 0.000 2.436 67 L HA 0.410 4.751 4.340 0.003 0.000 0.265 67 L C 1.270 178.151 176.870 0.019 0.000 1.168 67 L CA -0.955 53.944 54.840 0.099 0.000 0.815 67 L CB 0.476 42.558 42.059 0.039 0.000 1.109 67 L HN 0.431 nan 8.230 nan 0.000 0.462 68 R N 1.233 121.701 120.500 -0.053 0.000 2.697 68 R HA -0.052 4.289 4.340 0.003 0.000 0.265 68 R C 0.082 176.318 176.300 -0.107 0.000 1.009 68 R CA 0.056 56.060 56.100 -0.160 0.000 1.099 68 R CB 0.298 30.345 30.300 -0.421 0.000 0.965 68 R HN 0.663 nan 8.270 nan 0.000 0.428 69 D N 0.110 120.450 120.400 -0.099 0.000 2.363 69 D HA -0.061 4.581 4.640 0.003 0.000 0.214 69 D C 0.187 176.444 176.300 -0.072 0.000 1.093 69 D CA -0.010 53.949 54.000 -0.070 0.000 0.837 69 D CB 0.255 41.026 40.800 -0.048 0.000 0.948 69 D HN 0.540 nan 8.370 nan 0.000 0.507 70 D N 0.018 120.352 120.400 -0.110 0.000 2.501 70 D HA 0.066 4.708 4.640 0.003 0.000 0.224 70 D C -0.279 175.965 176.300 -0.093 0.000 1.202 70 D CA -0.476 53.474 54.000 -0.084 0.000 0.829 70 D CB 0.113 40.872 40.800 -0.068 0.000 1.023 70 D HN -0.005 nan 8.370 nan 0.000 0.499 71 V N 1.135 120.964 119.914 -0.141 0.000 2.417 71 V HA 0.347 4.469 4.120 0.003 0.000 0.291 71 V C -0.047 175.996 176.094 -0.085 0.000 1.024 71 V CA -0.661 61.523 62.300 -0.193 0.000 0.861 71 V CB 1.845 33.370 31.823 -0.497 0.000 0.985 71 V HN -0.013 nan 8.190 nan 0.000 0.436 72 K N 3.821 124.202 120.400 -0.031 0.000 2.259 72 K HA 0.587 4.909 4.320 0.003 0.000 0.249 72 K C -0.584 176.018 176.600 0.003 0.000 0.942 72 K CA -0.628 55.671 56.287 0.020 0.000 0.816 72 K CB 1.986 34.537 32.500 0.086 0.000 1.155 72 K HN 0.361 nan 8.250 nan 0.000 0.428 73 F N 0.789 120.835 119.950 0.161 0.000 2.539 73 F HA -0.120 4.408 4.527 0.003 0.000 0.340 73 F C 2.163 178.038 175.800 0.125 0.000 1.185 73 F CA 0.465 58.562 58.000 0.161 0.000 1.333 73 F CB 0.416 39.512 39.000 0.159 0.000 1.152 73 F HN 0.642 nan 8.300 nan 0.000 0.602 74 S N 0.321 116.209 115.700 0.314 0.000 2.469 74 S HA -0.218 4.253 4.470 0.003 0.000 0.238 74 S C 1.239 175.930 174.600 0.151 0.000 0.998 74 S CA 1.166 59.479 58.200 0.189 0.000 0.957 74 S CB -0.720 62.565 63.200 0.143 0.000 0.764 74 S HN 0.769 nan 8.310 nan 0.000 0.514 75 N N 0.904 119.707 118.700 0.172 0.000 2.336 75 N HA 0.251 4.992 4.740 0.003 0.000 0.189 75 N C 1.252 176.833 175.510 0.117 0.000 1.113 75 N CA 0.667 53.786 53.050 0.116 0.000 0.858 75 N CB -0.352 38.184 38.487 0.082 0.000 0.970 75 N HN 0.599 nan 8.380 nan 0.000 0.471 76 G N -0.415 108.477 108.800 0.153 0.000 2.213 76 G HA2 -0.281 3.681 3.960 0.003 0.000 0.236 76 G HA3 -0.281 3.681 3.960 0.003 0.000 0.236 76 G C -0.340 174.654 174.900 0.156 0.000 0.991 76 G CA 0.023 45.201 45.100 0.129 0.000 0.629 76 G HN 0.481 nan 8.290 nan 0.000 0.517 77 E N 2.422 122.752 120.200 0.215 0.000 2.392 77 E HA 0.358 4.710 4.350 0.003 0.000 0.264 77 E C -2.062 174.760 176.600 0.370 0.000 1.024 77 E CA -1.226 55.319 56.400 0.241 0.000 0.903 77 E CB 1.015 30.817 29.700 0.170 0.000 0.963 77 E HN 0.255 nan 8.360 nan 0.000 0.432 78 P HA -0.009 nan 4.420 nan 0.000 0.280 78 P C -0.972 176.491 177.300 0.271 0.000 1.244 78 P CA -0.118 63.093 63.100 0.185 0.000 0.784 78 P CB 0.366 32.117 31.700 0.084 0.000 0.913 79 F N 4.637 124.513 119.950 -0.124 0.000 2.421 79 F HA 0.292 4.821 4.527 0.003 0.000 0.358 79 F C -0.212 175.511 175.800 -0.128 0.000 1.115 79 F CA 0.181 58.036 58.000 -0.242 0.000 1.160 79 F CB 0.189 38.808 39.000 -0.634 0.000 1.123 79 F HN 0.287 nan 8.300 nan 0.000 0.508 80 D N 3.693 123.694 120.400 -0.666 0.000 2.636 80 D HA 0.471 5.112 4.640 0.003 0.000 0.275 80 D C 0.440 176.374 176.300 -0.610 0.000 1.130 80 D CA -0.335 53.349 54.000 -0.528 0.000 1.031 80 D CB 0.902 41.578 40.800 -0.207 0.000 1.451 80 D HN 0.461 nan 8.370 nan 0.000 0.505 81 A N -0.295 122.317 122.820 -0.347 0.000 1.940 81 A HA -0.218 4.103 4.320 0.003 0.000 0.219 81 A C 1.900 179.404 177.584 -0.134 0.000 1.176 81 A CA 2.323 54.226 52.037 -0.223 0.000 0.631 81 A CB -0.967 17.976 19.000 -0.095 0.000 0.814 81 A HN 0.657 nan 8.150 nan 0.000 0.446 82 E N 0.270 120.409 120.200 -0.102 0.000 2.072 82 E HA -0.032 4.320 4.350 0.003 0.000 0.191 82 E C 1.987 178.582 176.600 -0.009 0.000 0.985 82 E CA 1.578 57.959 56.400 -0.031 0.000 0.801 82 E CB -0.502 29.184 29.700 -0.024 0.000 0.750 82 E HN 0.460 nan 8.360 nan 0.000 0.452 83 A N 0.774 123.559 122.820 -0.057 0.000 1.902 83 A HA -0.011 4.311 4.320 0.003 0.000 0.217 83 A C 2.442 180.128 177.584 0.170 0.000 1.181 83 A CA 2.011 54.077 52.037 0.048 0.000 0.623 83 A CB -0.994 18.112 19.000 0.176 0.000 0.818 83 A HN 0.386 nan 8.150 nan 0.000 0.443 84 A N -0.134 122.671 122.820 -0.024 0.000 1.902 84 A HA 0.176 4.498 4.320 0.003 0.000 0.217 84 A C 2.489 180.381 177.584 0.513 0.000 1.181 84 A CA 2.019 54.159 52.037 0.173 0.000 0.623 84 A CB -0.966 17.919 19.000 -0.192 0.000 0.818 84 A HN 1.037 nan 8.150 nan 0.000 0.443 85 A N -0.658 122.349 122.820 0.312 0.000 1.930 85 A HA -0.126 4.196 4.320 0.003 0.000 0.217 85 A C 1.962 179.766 177.584 0.366 0.000 1.175 85 A CA 1.589 53.827 52.037 0.336 0.000 0.627 85 A CB -0.386 18.715 19.000 0.167 0.000 0.815 85 A HN 0.452 nan 8.150 nan 0.000 0.443 86 E N 0.380 120.770 120.200 0.317 0.000 2.110 86 E HA -0.144 4.208 4.350 0.003 0.000 0.193 86 E C 1.731 178.659 176.600 0.547 0.000 0.988 86 E CA 0.824 57.447 56.400 0.372 0.000 0.804 86 E CB -0.391 29.429 29.700 0.201 0.000 0.745 86 E HN 0.639 nan 8.360 nan 0.000 0.458 87 N N -0.051 118.983 118.700 0.556 0.000 2.106 87 N HA -0.117 4.625 4.740 0.003 0.000 0.188 87 N C 1.919 177.449 175.510 0.033 0.000 1.029 87 N CA 0.830 54.118 53.050 0.398 0.000 0.848 87 N CB -0.293 38.479 38.487 0.475 0.000 1.007 87 N HN 0.096 nan 8.380 nan 0.000 0.423 88 F N 1.724 121.804 119.950 0.216 0.000 2.095 88 F HA -0.135 4.394 4.527 0.003 0.000 0.298 88 F C 2.743 178.594 175.800 0.085 0.000 1.104 88 F CA 1.165 59.255 58.000 0.151 0.000 1.232 88 F CB -0.346 38.760 39.000 0.177 0.000 0.987 88 F HN 0.004 nan 8.300 nan 0.000 0.475 89 R N 0.553 121.228 120.500 0.292 0.000 2.073 89 R HA -0.174 4.167 4.340 0.003 0.000 0.234 89 R C 2.360 178.709 176.300 0.082 0.000 1.134 89 R CA 1.370 57.582 56.100 0.187 0.000 0.952 89 R CB -0.570 29.854 30.300 0.206 0.000 0.850 89 R HN 0.267 nan 8.270 nan 0.000 0.433 90 A N 0.352 123.182 122.820 0.016 0.000 1.908 90 A HA -0.135 4.187 4.320 0.003 0.000 0.218 90 A C 2.289 179.749 177.584 -0.208 0.000 1.181 90 A CA 1.806 53.736 52.037 -0.177 0.000 0.627 90 A CB -0.638 18.091 19.000 -0.452 0.000 0.818 90 A HN 0.249 nan 8.150 nan 0.000 0.445 91 V N -0.103 119.605 119.914 -0.342 0.000 2.307 91 V HA -0.218 3.903 4.120 0.003 0.000 0.245 91 V C 2.443 178.517 176.094 -0.033 0.000 1.045 91 V CA 1.962 64.053 62.300 -0.348 0.000 1.024 91 V CB -0.677 30.761 31.823 -0.641 0.000 0.651 91 V HN 0.568 nan 8.190 nan 0.000 0.449 92 L N -0.295 120.955 121.223 0.044 0.000 2.478 92 L HA -0.048 4.294 4.340 0.003 0.000 0.223 92 L C 1.946 178.865 176.870 0.082 0.000 1.140 92 L CA 0.605 55.516 54.840 0.118 0.000 0.842 92 L CB -0.618 41.538 42.059 0.161 0.000 0.953 92 L HN 0.297 nan 8.230 nan 0.000 0.452 93 D N 0.198 120.627 120.400 0.049 0.000 2.309 93 D HA -0.164 4.478 4.640 0.003 0.000 0.212 93 D C 1.172 177.486 176.300 0.023 0.000 0.968 93 D CA 1.077 55.096 54.000 0.032 0.000 0.882 93 D CB -0.124 40.684 40.800 0.014 0.000 0.918 93 D HN 0.186 nan 8.370 nan 0.000 0.503 94 N N -0.062 118.659 118.700 0.037 0.000 2.416 94 N HA 0.064 4.806 4.740 0.003 0.000 0.267 94 N C 1.082 176.594 175.510 0.003 0.000 1.294 94 N CA -0.215 52.836 53.050 0.002 0.000 0.891 94 N CB 0.175 38.652 38.487 -0.018 0.000 1.238 94 N HN -0.081 nan 8.380 nan 0.000 0.508 95 R N 0.394 120.938 120.500 0.073 0.000 2.119 95 R HA -0.209 4.132 4.340 0.003 0.000 0.246 95 R C 1.711 178.034 176.300 0.039 0.000 1.146 95 R CA 1.949 58.117 56.100 0.112 0.000 0.962 95 R CB 0.092 30.441 30.300 0.081 0.000 0.863 95 R HN 0.382 nan 8.270 nan 0.000 0.442 96 Q N 0.392 120.187 119.800 -0.008 0.000 2.226 96 Q HA -0.217 4.124 4.340 0.003 0.000 0.204 96 Q C 1.707 177.685 176.000 -0.037 0.000 0.975 96 Q CA 1.477 57.269 55.803 -0.019 0.000 0.866 96 Q CB -0.570 28.158 28.738 -0.016 0.000 0.915 96 Q HN 0.379 nan 8.270 nan 0.000 0.440 97 R N -0.087 120.339 120.500 -0.125 0.000 2.235 97 R HA -0.065 4.277 4.340 0.003 0.000 0.213 97 R C 0.652 176.908 176.300 -0.072 0.000 1.059 97 R CA 0.776 56.794 56.100 -0.136 0.000 0.997 97 R CB 0.131 30.296 30.300 -0.226 0.000 0.884 97 R HN 0.401 nan 8.270 nan 0.000 0.462 98 H N -1.190 117.978 119.070 0.162 0.000 2.505 98 H HA 0.231 4.789 4.556 0.003 0.000 0.286 98 H C 1.361 176.588 175.328 -0.167 0.000 1.072 98 H CA 0.397 56.474 56.048 0.048 0.000 1.141 98 H CB 0.696 30.425 29.762 -0.055 0.000 1.550 98 H HN 0.211 nan 8.280 nan 0.000 0.547 99 A N 2.184 125.030 122.820 0.042 0.000 1.948 99 A HA -0.187 4.135 4.320 0.003 0.000 0.220 99 A C 2.202 179.773 177.584 -0.021 0.000 1.177 99 A CA 1.486 53.517 52.037 -0.011 0.000 0.636 99 A CB -1.073 17.917 19.000 -0.017 0.000 0.815 99 A HN 0.729 nan 8.150 nan 0.000 0.449 100 W N -1.055 120.259 121.300 0.022 0.000 2.364 100 W HA 0.055 4.717 4.660 0.003 0.000 0.281 100 W C 0.278 176.893 176.519 0.160 0.000 1.219 100 W CA 0.498 57.886 57.345 0.072 0.000 1.220 100 W CB -0.873 28.668 29.460 0.136 0.000 1.127 100 W HN 0.270 nan 8.180 nan 0.000 0.556 101 L N 2.695 123.384 121.223 -0.890 0.000 2.262 101 L HA 0.194 4.536 4.340 0.003 0.000 0.288 101 L C 1.379 178.070 176.870 -0.299 0.000 1.035 101 L CA -0.180 54.154 54.840 -0.843 0.000 0.820 101 L CB 1.297 42.475 42.059 -1.468 0.000 1.204 101 L HN -0.150 nan 8.230 nan 0.000 0.424 102 E N 3.510 123.656 120.200 -0.090 0.000 2.153 102 E HA -0.218 4.133 4.350 0.003 0.000 0.194 102 E C 1.617 178.025 176.600 -0.320 0.000 0.988 102 E CA 1.386 57.709 56.400 -0.128 0.000 0.811 102 E CB -0.139 29.558 29.700 -0.004 0.000 0.746 102 E HN 0.676 nan 8.360 nan 0.000 0.466 103 L N 0.341 121.432 121.223 -0.219 0.000 2.081 103 L HA -0.121 4.220 4.340 0.003 0.000 0.212 103 L C 2.124 178.952 176.870 -0.070 0.000 1.080 103 L CA 2.302 57.030 54.840 -0.188 0.000 0.754 103 L CB -1.082 41.021 42.059 0.074 0.000 0.893 103 L HN 0.183 nan 8.230 nan 0.000 0.433 104 A N -0.675 122.180 122.820 0.058 0.000 2.019 104 A HA -0.169 4.153 4.320 0.003 0.000 0.219 104 A C 1.913 179.516 177.584 0.032 0.000 1.164 104 A CA 1.666 53.794 52.037 0.152 0.000 0.644 104 A CB -0.659 18.410 19.000 0.116 0.000 0.805 104 A HN 0.649 nan 8.150 nan 0.000 0.449 105 N N -0.543 118.118 118.700 -0.064 0.000 2.446 105 N HA -0.048 4.693 4.740 0.003 0.000 0.179 105 N C 1.524 176.965 175.510 -0.115 0.000 1.054 105 N CA 0.640 53.644 53.050 -0.077 0.000 0.905 105 N CB -0.124 38.309 38.487 -0.089 0.000 0.973 105 N HN 0.459 nan 8.380 nan 0.000 0.448 106 Q N 0.615 120.300 119.800 -0.191 0.000 2.204 106 Q HA 0.195 4.536 4.340 0.003 0.000 0.198 106 Q C 0.636 176.540 176.000 -0.159 0.000 0.946 106 Q CA 0.147 55.810 55.803 -0.234 0.000 0.859 106 Q CB 0.355 28.827 28.738 -0.443 0.000 0.946 106 Q HN 0.377 nan 8.270 nan 0.000 0.474 107 I N 1.427 121.924 120.570 -0.121 0.000 2.587 107 I HA -0.090 4.082 4.170 0.003 0.000 0.284 107 I C 1.233 177.324 176.117 -0.045 0.000 1.134 107 I CA -0.127 61.117 61.300 -0.093 0.000 1.410 107 I CB 0.791 38.755 38.000 -0.059 0.000 1.392 107 I HN -0.157 nan 8.210 nan 0.000 0.545 108 V N 4.541 124.425 119.914 -0.050 0.000 2.788 108 V HA 0.103 4.225 4.120 0.003 0.000 0.241 108 V C 0.183 176.273 176.094 -0.007 0.000 1.083 108 V CA 0.974 63.261 62.300 -0.022 0.000 1.103 108 V CB 0.140 31.949 31.823 -0.023 0.000 0.800 108 V HN 0.830 nan 8.190 nan 0.000 0.476 109 D N -1.790 118.599 120.400 -0.018 0.000 2.736 109 D HA 0.549 5.191 4.640 0.003 0.000 0.223 109 D C -1.574 174.708 176.300 -0.030 0.000 1.231 109 D CA -0.123 53.874 54.000 -0.005 0.000 0.818 109 D CB 2.661 43.464 40.800 0.005 0.000 1.587 109 D HN -0.118 nan 8.370 nan 0.000 0.463 110 V N 2.836 122.741 119.914 -0.015 0.000 2.577 110 V HA 0.546 4.668 4.120 0.003 0.000 0.303 110 V C -0.591 175.513 176.094 0.016 0.000 1.042 110 V CA -0.688 61.583 62.300 -0.049 0.000 0.872 110 V CB 1.835 33.584 31.823 -0.122 0.000 0.998 110 V HN 0.452 nan 8.190 nan 0.000 0.423 111 K N 2.564 122.976 120.400 0.019 0.000 2.468 111 K HA 0.784 5.106 4.320 0.003 0.000 0.252 111 K C -0.563 176.061 176.600 0.040 0.000 0.932 111 K CA -0.615 55.694 56.287 0.037 0.000 0.794 111 K CB 2.525 35.045 32.500 0.032 0.000 1.241 111 K HN 0.803 nan 8.250 nan 0.000 0.428 112 A N 4.290 127.134 122.820 0.039 0.000 2.376 112 A HA 0.227 4.548 4.320 0.003 0.000 0.298 112 A C 0.846 178.444 177.584 0.023 0.000 1.271 112 A CA -0.268 51.785 52.037 0.026 0.000 0.926 112 A CB -0.241 18.767 19.000 0.013 0.000 1.141 112 A HN 0.842 nan 8.150 nan 0.000 0.539 113 L N 2.162 123.401 121.223 0.027 0.000 2.131 113 L HA 0.009 4.351 4.340 0.003 0.000 0.206 113 L C 1.572 178.449 176.870 0.012 0.000 1.087 113 L CA 1.365 56.218 54.840 0.022 0.000 0.767 113 L CB -0.246 41.831 42.059 0.029 0.000 0.917 113 L HN 0.877 nan 8.230 nan 0.000 0.441 114 S N -2.773 112.931 115.700 0.007 0.000 2.973 114 S HA 0.257 4.729 4.470 0.003 0.000 0.317 114 S C 0.570 175.159 174.600 -0.017 0.000 1.196 114 S CA -0.798 57.401 58.200 -0.003 0.000 0.894 114 S CB 1.424 64.624 63.200 -0.002 0.000 1.292 114 S HN -0.190 nan 8.310 nan 0.000 0.614 115 K N 0.674 121.059 120.400 -0.025 0.000 2.155 115 K HA 0.010 4.331 4.320 0.003 0.000 0.203 115 K C 1.627 178.184 176.600 -0.070 0.000 1.052 115 K CA 1.870 58.129 56.287 -0.047 0.000 0.948 115 K CB -0.482 31.994 32.500 -0.039 0.000 0.728 115 K HN 0.857 nan 8.250 nan 0.000 0.448 116 T N -3.127 111.401 114.554 -0.044 0.000 3.040 116 T HA 0.181 4.533 4.350 0.003 0.000 0.266 116 T C 0.165 174.867 174.700 0.003 0.000 1.005 116 T CA -0.426 61.650 62.100 -0.040 0.000 0.906 116 T CB 0.518 69.372 68.868 -0.023 0.000 1.082 116 T HN -0.030 nan 8.240 nan 0.000 0.531 117 E N 0.922 121.131 120.200 0.014 0.000 2.129 117 E HA 0.569 4.921 4.350 0.003 0.000 0.268 117 E C -1.711 174.930 176.600 0.069 0.000 0.900 117 E CA -0.877 55.558 56.400 0.058 0.000 0.755 117 E CB 1.152 30.879 29.700 0.045 0.000 1.117 117 E HN 0.267 nan 8.360 nan 0.000 0.410 118 L N 4.172 125.476 121.223 0.135 0.000 2.325 118 L HA 0.365 4.707 4.340 0.003 0.000 0.281 118 L C -1.190 175.808 176.870 0.214 0.000 1.004 118 L CA -0.215 54.707 54.840 0.138 0.000 0.823 118 L CB 1.648 43.779 42.059 0.121 0.000 1.236 118 L HN 0.550 nan 8.230 nan 0.000 0.415 119 Q N 5.502 125.383 119.800 0.135 0.000 2.348 119 Q HA 0.551 4.893 4.340 0.003 0.000 0.265 119 Q C -1.488 174.570 176.000 0.097 0.000 0.998 119 Q CA -0.510 55.381 55.803 0.146 0.000 0.831 119 Q CB 1.240 30.033 28.738 0.091 0.000 1.251 119 Q HN 0.720 nan 8.270 nan 0.000 0.456 120 I N 3.392 124.061 120.570 0.166 0.000 2.378 120 I HA 0.334 4.506 4.170 0.003 0.000 0.291 120 I C 0.095 176.246 176.117 0.057 0.000 0.992 120 I CA -0.758 60.567 61.300 0.042 0.000 1.154 120 I CB 1.868 39.887 38.000 0.030 0.000 1.315 120 I HN 0.565 nan 8.210 nan 0.000 0.448 121 T N 5.059 119.604 114.554 -0.016 0.000 2.855 121 T HA 0.795 5.147 4.350 0.003 0.000 0.281 121 T C -0.558 174.092 174.700 -0.082 0.000 1.007 121 T CA -0.729 61.363 62.100 -0.013 0.000 1.009 121 T CB 1.534 70.407 68.868 0.007 0.000 0.983 121 T HN 0.372 nan 8.240 nan 0.000 0.455 122 L N 2.054 123.222 121.223 -0.092 0.000 2.303 122 L HA 0.561 4.902 4.340 0.003 0.000 0.266 122 L C 1.538 178.371 176.870 -0.062 0.000 1.011 122 L CA -1.308 53.450 54.840 -0.137 0.000 0.818 122 L CB 1.525 43.434 42.059 -0.249 0.000 1.326 122 L HN 0.648 nan 8.230 nan 0.000 0.435 123 K N 0.064 120.424 120.400 -0.067 0.000 2.209 123 K HA -0.042 4.279 4.320 0.003 0.000 0.204 123 K C 0.221 176.828 176.600 0.012 0.000 1.048 123 K CA 1.130 57.400 56.287 -0.028 0.000 0.940 123 K CB 0.087 32.562 32.500 -0.041 0.000 0.729 123 K HN 0.749 nan 8.250 nan 0.000 0.451 124 S N -1.984 113.734 115.700 0.029 0.000 2.611 124 S HA 0.519 4.990 4.470 0.003 0.000 0.268 124 S C -1.244 173.458 174.600 0.171 0.000 1.156 124 S CA -1.058 57.213 58.200 0.118 0.000 0.817 124 S CB 1.589 64.873 63.200 0.141 0.000 1.122 124 S HN 0.022 nan 8.310 nan 0.000 0.466 125 A N 1.432 124.423 122.820 0.285 0.000 2.797 125 A HA 0.447 4.769 4.320 0.003 0.000 0.296 125 A C -0.617 177.199 177.584 0.388 0.000 1.580 125 A CA -0.139 52.074 52.037 0.294 0.000 1.277 125 A CB -1.251 17.825 19.000 0.127 0.000 1.101 125 A HN 0.847 nan 8.150 nan 0.000 0.562 126 Y N 3.555 123.922 120.300 0.111 0.000 2.436 126 Y HA 0.277 4.829 4.550 0.003 0.000 0.343 126 Y C 0.988 176.966 175.900 0.130 0.000 1.008 126 Y CA -0.913 57.237 58.100 0.082 0.000 1.241 126 Y CB 0.220 38.657 38.460 -0.039 0.000 1.153 126 Y HN 0.716 nan 8.280 nan 0.000 0.521 127 Y N 6.755 126.907 120.300 -0.247 0.000 2.181 127 Y HA 0.072 4.623 4.550 0.003 0.000 0.288 127 Y C -1.228 174.481 175.900 -0.318 0.000 1.146 127 Y CA 0.686 58.670 58.100 -0.194 0.000 1.164 127 Y CB -1.611 36.788 38.460 -0.102 0.000 0.982 127 Y HN 0.437 nan 8.280 nan 0.000 0.515 128 P HA 0.060 nan 4.420 nan 0.000 0.258 128 P C 1.226 178.249 177.300 -0.461 0.000 1.416 128 P CA -0.077 62.418 63.100 -1.008 0.000 0.927 128 P CB -0.823 29.975 31.700 -1.503 0.000 1.444 129 F N 1.507 121.178 119.950 -0.466 0.000 2.045 129 F HA -0.310 4.219 4.527 0.003 0.000 0.297 129 F C 1.785 177.434 175.800 -0.251 0.000 1.114 129 F CA 1.666 59.545 58.000 -0.202 0.000 1.207 129 F CB -0.460 38.327 39.000 -0.357 0.000 0.964 129 F HN -0.220 nan 8.300 nan 0.000 0.486 130 L N -0.284 120.635 121.223 -0.508 0.000 2.083 130 L HA -0.233 4.109 4.340 0.003 0.000 0.209 130 L C 2.445 179.145 176.870 -0.284 0.000 1.083 130 L CA 1.268 55.782 54.840 -0.543 0.000 0.752 130 L CB -0.804 41.050 42.059 -0.343 0.000 0.899 130 L HN 0.251 nan 8.230 nan 0.000 0.433 131 Q N -0.037 119.662 119.800 -0.168 0.000 2.167 131 Q HA -0.163 4.179 4.340 0.003 0.000 0.202 131 Q C 2.038 177.986 176.000 -0.087 0.000 0.970 131 Q CA 1.204 56.961 55.803 -0.077 0.000 0.855 131 Q CB -0.055 28.644 28.738 -0.064 0.000 0.911 131 Q HN 0.476 nan 8.270 nan 0.000 0.438 132 E N -0.237 119.922 120.200 -0.069 0.000 2.158 132 E HA -0.062 4.289 4.350 0.003 0.000 0.191 132 E C 1.743 178.354 176.600 0.018 0.000 0.982 132 E CA 0.444 56.867 56.400 0.038 0.000 0.823 132 E CB 0.004 29.808 29.700 0.173 0.000 0.766 132 E HN 0.334 nan 8.360 nan 0.000 0.468 133 L N 0.623 121.751 121.223 -0.159 0.000 2.201 133 L HA -0.108 4.234 4.340 0.003 0.000 0.212 133 L C 2.398 179.233 176.870 -0.058 0.000 1.105 133 L CA 0.716 55.457 54.840 -0.166 0.000 0.775 133 L CB -0.284 41.513 42.059 -0.438 0.000 0.913 133 L HN 0.113 nan 8.230 nan 0.000 0.440 134 A N -0.385 122.394 122.820 -0.069 0.000 2.167 134 A HA 0.096 4.418 4.320 0.003 0.000 0.214 134 A C 1.181 178.754 177.584 -0.018 0.000 1.151 134 A CA 0.115 52.137 52.037 -0.025 0.000 0.735 134 A CB -0.336 18.674 19.000 0.016 0.000 0.802 134 A HN 0.230 nan 8.150 nan 0.000 0.467 135 L N -0.541 120.674 121.223 -0.012 0.000 2.467 135 L HA 0.096 4.438 4.340 0.003 0.000 0.270 135 L C -1.283 175.620 176.870 0.056 0.000 1.205 135 L CA -1.525 53.316 54.840 0.001 0.000 0.828 135 L CB 0.244 42.349 42.059 0.077 0.000 1.101 135 L HN 0.043 nan 8.230 nan 0.000 0.479 136 P HA -0.148 nan 4.420 nan 0.000 0.217 136 P C -0.612 176.712 177.300 0.040 0.000 1.151 136 P CA 1.485 64.632 63.100 0.080 0.000 0.849 136 P CB 0.154 31.919 31.700 0.109 0.000 0.787 137 R N -3.344 117.194 120.500 0.064 0.000 2.664 137 R HA 0.347 4.689 4.340 0.003 0.000 0.266 137 R C -2.868 173.433 176.300 0.002 0.000 1.046 137 R CA -1.523 54.547 56.100 -0.050 0.000 0.885 137 R CB 0.112 30.346 30.300 -0.111 0.000 1.254 137 R HN -0.241 nan 8.270 nan 0.000 0.465 138 P HA 0.189 nan 4.420 nan 0.000 0.267 138 P C -0.409 176.460 177.300 -0.719 0.000 1.289 138 P CA 0.088 62.813 63.100 -0.625 0.000 0.866 138 P CB 0.234 31.321 31.700 -1.022 0.000 1.309 139 F N 1.440 121.163 119.950 -0.379 0.000 2.871 139 F HA 0.322 4.850 4.527 0.003 0.000 0.317 139 F C 1.233 176.556 175.800 -0.794 0.000 1.193 139 F CA -0.183 57.437 58.000 -0.633 0.000 1.311 139 F CB -0.184 38.545 39.000 -0.452 0.000 1.380 139 F HN -0.272 nan 8.300 nan 0.000 0.557 140 R N -0.508 119.612 120.500 -0.633 0.000 2.939 140 R HA 0.657 4.999 4.340 0.003 0.000 0.254 140 R C -1.429 174.459 176.300 -0.685 0.000 1.123 140 R CA -1.017 54.674 56.100 -0.683 0.000 1.020 140 R CB 1.710 31.934 30.300 -0.127 0.000 1.206 140 R HN -0.011 nan 8.270 nan 0.000 0.491 141 F N 1.153 121.236 119.950 0.223 0.000 2.427 141 F HA 0.477 5.005 4.527 0.003 0.000 0.348 141 F C 0.212 176.343 175.800 0.552 0.000 1.125 141 F CA -0.677 57.561 58.000 0.397 0.000 0.989 141 F CB 1.280 40.591 39.000 0.517 0.000 1.165 141 F HN 0.192 nan 8.300 nan 0.000 0.442 142 I N 2.703 123.555 120.570 0.469 0.000 2.498 142 I HA 0.686 4.857 4.170 0.003 0.000 0.301 142 I C 0.041 176.169 176.117 0.019 0.000 0.984 142 I CA -0.855 60.663 61.300 0.363 0.000 1.204 142 I CB 1.326 39.380 38.000 0.089 0.000 1.362 142 I HN 0.722 nan 8.210 nan 0.000 0.471 143 A N 8.127 130.554 122.820 -0.655 0.000 2.561 143 A HA 0.200 4.522 4.320 0.003 0.000 0.251 143 A C -1.939 175.309 177.584 -0.561 0.000 1.062 143 A CA -0.723 50.570 52.037 -1.240 0.000 0.761 143 A CB -0.455 17.946 19.000 -0.999 0.000 0.986 143 A HN 0.660 nan 8.150 nan 0.000 0.510 144 P HA -0.159 nan 4.420 nan 0.000 0.222 144 P C 1.631 178.504 177.300 -0.710 0.000 1.147 144 P CA 1.630 64.073 63.100 -1.094 0.000 0.790 144 P CB 0.049 31.212 31.700 -0.896 0.000 0.780 145 S N -0.990 114.464 115.700 -0.410 0.000 2.465 145 S HA -0.186 4.286 4.470 0.003 0.000 0.241 145 S C 1.588 176.102 174.600 -0.143 0.000 1.000 145 S CA 1.005 59.062 58.200 -0.239 0.000 0.964 145 S CB -0.897 62.199 63.200 -0.174 0.000 0.763 145 S HN 0.149 nan 8.310 nan 0.000 0.512 146 Q N 0.100 119.837 119.800 -0.105 0.000 2.282 146 Q HA 0.398 4.740 4.340 0.003 0.000 0.206 146 Q C -0.034 176.073 176.000 0.178 0.000 0.878 146 Q CA -0.267 55.550 55.803 0.024 0.000 0.944 146 Q CB -0.215 28.535 28.738 0.021 0.000 1.100 146 Q HN 0.644 nan 8.270 nan 0.000 0.509 147 F N 1.634 121.530 119.950 -0.090 0.000 2.539 147 F HA 0.026 4.555 4.527 0.003 0.000 0.340 147 F C 1.071 176.831 175.800 -0.067 0.000 1.185 147 F CA 0.008 57.966 58.000 -0.070 0.000 1.333 147 F CB 0.634 39.585 39.000 -0.081 0.000 1.152 147 F HN -0.316 nan 8.300 nan 0.000 0.602 148 K N 1.788 122.257 120.400 0.116 0.000 2.339 148 K HA 0.195 4.517 4.320 0.003 0.000 0.264 148 K C -0.610 176.043 176.600 0.088 0.000 0.986 148 K CA -0.593 55.734 56.287 0.066 0.000 0.866 148 K CB 1.097 33.613 32.500 0.026 0.000 1.103 148 K HN 0.630 nan 8.250 nan 0.000 0.441 149 N N 2.888 121.655 118.700 0.111 0.000 2.740 149 N HA -0.216 4.526 4.740 0.003 0.000 0.248 149 N C -0.653 175.051 175.510 0.323 0.000 1.062 149 N CA 0.683 53.853 53.050 0.201 0.000 0.704 149 N CB -1.290 37.273 38.487 0.127 0.000 0.968 149 N HN 0.837 nan 8.380 nan 0.000 0.547 150 H N -3.646 115.537 119.070 0.188 0.000 3.080 150 H HA -0.170 4.387 4.556 0.003 0.000 0.254 150 H C -0.184 175.281 175.328 0.229 0.000 1.179 150 H CA 1.529 57.759 56.048 0.303 0.000 1.144 150 H CB -0.780 29.095 29.762 0.189 0.000 1.261 150 H HN 0.497 nan 8.280 nan 0.000 0.333 151 E N -0.228 120.028 120.200 0.093 0.000 2.410 151 E HA 0.357 4.709 4.350 0.003 0.000 0.269 151 E C 1.209 177.579 176.600 -0.384 0.000 0.937 151 E CA 0.212 56.508 56.400 -0.173 0.000 0.793 151 E CB 1.607 31.276 29.700 -0.052 0.000 1.314 151 E HN 0.244 nan 8.360 nan 0.000 0.447 152 T N -3.373 110.938 114.554 -0.405 0.000 2.959 152 T HA 0.027 4.379 4.350 0.003 0.000 0.254 152 T C 1.674 176.286 174.700 -0.146 0.000 1.003 152 T CA 0.134 62.060 62.100 -0.290 0.000 0.950 152 T CB -0.103 68.604 68.868 -0.267 0.000 1.090 152 T HN 0.492 nan 8.240 nan 0.000 0.503 153 M N 1.261 120.795 119.600 -0.110 0.000 2.358 153 M HA 0.119 4.601 4.480 0.003 0.000 0.264 153 M C 0.751 177.018 176.300 -0.055 0.000 1.064 153 M CA 1.437 56.698 55.300 -0.065 0.000 1.093 153 M CB -0.627 31.945 32.600 -0.046 0.000 1.401 153 M HN -0.002 nan 8.290 nan 0.000 0.440 154 N N 1.128 119.795 118.700 -0.055 0.000 2.203 154 N HA 0.356 5.098 4.740 0.003 0.000 0.207 154 N C 0.404 175.889 175.510 -0.042 0.000 1.130 154 N CA 0.870 53.897 53.050 -0.038 0.000 0.861 154 N CB 1.368 39.841 38.487 -0.023 0.000 1.005 154 N HN 0.600 nan 8.380 nan 0.000 0.507 155 G N 1.037 109.802 108.800 -0.060 0.000 2.334 155 G HA2 0.134 4.096 3.960 0.003 0.000 0.566 155 G HA3 0.134 4.096 3.960 0.003 0.000 0.566 155 G C -1.249 173.616 174.900 -0.060 0.000 1.413 155 G CA -0.840 44.226 45.100 -0.056 0.000 0.993 155 G HN 0.141 nan 8.290 nan 0.000 0.642 156 I N -2.450 118.090 120.570 -0.049 0.000 3.108 156 I HA 0.746 4.918 4.170 0.003 0.000 0.312 156 I C 0.765 176.878 176.117 -0.006 0.000 1.095 156 I CA -1.441 59.845 61.300 -0.024 0.000 1.000 156 I CB 1.961 39.939 38.000 -0.037 0.000 1.229 156 I HN 0.617 nan 8.210 nan 0.000 0.454 157 K N 1.738 122.146 120.400 0.012 0.000 2.311 157 K HA 0.477 4.799 4.320 0.003 0.000 0.206 157 K C 0.484 177.085 176.600 0.002 0.000 1.056 157 K CA 0.294 56.584 56.287 0.005 0.000 1.051 157 K CB -0.247 32.257 32.500 0.007 0.000 1.299 157 K HN 0.737 nan 8.250 nan 0.000 0.461 158 A N 2.324 125.150 122.820 0.009 0.000 2.312 158 A HA 0.338 4.659 4.320 0.003 0.000 0.328 158 A C -2.393 175.217 177.584 0.043 0.000 1.158 158 A CA -1.607 50.436 52.037 0.010 0.000 0.821 158 A CB 0.395 19.397 19.000 0.004 0.000 1.170 158 A HN 0.197 nan 8.150 nan 0.000 0.490 159 P HA 0.165 nan 4.420 nan 0.000 0.231 159 P C -0.823 176.541 177.300 0.107 0.000 1.811 159 P CA 0.146 63.327 63.100 0.136 0.000 1.051 159 P CB -0.270 31.474 31.700 0.074 0.000 1.951 160 I N 2.111 122.779 120.570 0.163 0.000 2.287 160 I HA 0.328 4.499 4.170 0.003 0.000 0.290 160 I C 1.218 177.536 176.117 0.335 0.000 1.069 160 I CA -0.088 61.305 61.300 0.154 0.000 1.237 160 I CB 0.637 38.685 38.000 0.080 0.000 1.418 160 I HN 0.158 nan 8.210 nan 0.000 0.481 161 G N 3.747 112.692 108.800 0.241 0.000 2.887 161 G HA2 0.460 4.421 3.960 0.003 0.000 0.277 161 G HA3 0.460 4.421 3.960 0.003 0.000 0.277 161 G C 0.668 175.824 174.900 0.428 0.000 1.346 161 G CA -0.041 45.308 45.100 0.415 0.000 1.058 161 G HN 0.505 nan 8.290 nan 0.000 0.535 162 T N -2.696 112.044 114.554 0.310 0.000 3.086 162 T HA 0.331 4.683 4.350 0.003 0.000 0.250 162 T C 1.214 176.114 174.700 0.334 0.000 1.074 162 T CA 0.541 62.749 62.100 0.181 0.000 0.988 162 T CB 0.080 68.911 68.868 -0.061 0.000 0.988 162 T HN 0.718 nan 8.240 nan 0.000 0.530 163 G N 2.442 111.371 108.800 0.215 0.000 2.651 163 G HA2 0.435 4.397 3.960 0.003 0.000 0.260 163 G HA3 0.435 4.397 3.960 0.003 0.000 0.260 163 G C -1.370 173.349 174.900 -0.302 0.000 1.216 163 G CA -1.366 43.777 45.100 0.072 0.000 0.913 163 G HN 0.088 nan 8.290 nan 0.000 0.535 164 P HA 0.024 nan 4.420 nan 0.000 0.237 164 P C -0.610 176.070 177.300 -1.033 0.000 1.178 164 P CA 0.638 62.921 63.100 -1.361 0.000 0.766 164 P CB 0.184 30.890 31.700 -1.656 0.000 0.876 165 W N 0.147 121.344 121.300 -0.172 0.000 2.736 165 W HA 0.552 5.214 4.660 0.003 0.000 0.335 165 W C -0.208 176.345 176.519 0.056 0.000 1.059 165 W CA -0.855 56.472 57.345 -0.029 0.000 1.226 165 W CB 1.380 30.813 29.460 -0.046 0.000 1.416 165 W HN -0.355 nan 8.180 nan 0.000 0.505 166 I N 3.651 124.443 120.570 0.370 0.000 2.406 166 I HA 0.222 4.394 4.170 0.003 0.000 0.290 166 I C -0.631 175.563 176.117 0.128 0.000 0.999 166 I CA -1.257 60.163 61.300 0.199 0.000 1.124 166 I CB 1.426 39.490 38.000 0.107 0.000 1.289 166 I HN 0.142 nan 8.210 nan 0.000 0.441 167 L N 6.391 127.558 121.223 -0.094 0.000 2.456 167 L HA 0.104 4.445 4.340 0.003 0.000 0.277 167 L C 1.015 177.720 176.870 -0.275 0.000 1.124 167 L CA 0.827 55.350 54.840 -0.528 0.000 0.880 167 L CB 0.673 42.385 42.059 -0.579 0.000 1.192 167 L HN 0.745 nan 8.230 nan 0.000 0.463 168 Q N 3.313 122.965 119.800 -0.246 0.000 2.324 168 Q HA 0.175 4.517 4.340 0.003 0.000 0.207 168 Q C -0.041 175.905 176.000 -0.090 0.000 0.928 168 Q CA 0.512 56.252 55.803 -0.105 0.000 0.890 168 Q CB 0.462 29.178 28.738 -0.037 0.000 1.001 168 Q HN 0.774 nan 8.270 nan 0.000 0.517 169 E N -0.276 119.857 120.200 -0.111 0.000 2.343 169 E HA 0.346 4.698 4.350 0.003 0.000 0.278 169 E C -1.980 174.584 176.600 -0.060 0.000 0.910 169 E CA -0.463 55.919 56.400 -0.030 0.000 0.757 169 E CB 2.367 32.128 29.700 0.101 0.000 1.218 169 E HN 0.015 nan 8.360 nan 0.000 0.435 170 S N 3.355 119.002 115.700 -0.089 0.000 2.776 170 S HA 0.345 4.817 4.470 0.003 0.000 0.284 170 S C -1.508 172.960 174.600 -0.221 0.000 1.160 170 S CA -0.711 57.403 58.200 -0.143 0.000 1.051 170 S CB 0.736 63.850 63.200 -0.143 0.000 1.037 170 S HN 0.419 nan 8.310 nan 0.000 0.485 171 K N 4.709 124.854 120.400 -0.425 0.000 2.367 171 K HA 0.416 4.738 4.320 0.003 0.000 0.263 171 K C -0.507 175.906 176.600 -0.313 0.000 1.000 171 K CA -0.857 55.148 56.287 -0.470 0.000 0.891 171 K CB 0.765 32.741 32.500 -0.875 0.000 1.117 171 K HN 0.606 nan 8.250 nan 0.000 0.443 172 L N 5.260 126.375 121.223 -0.180 0.000 2.615 172 L HA -0.094 4.248 4.340 0.003 0.000 0.284 172 L C 0.046 176.864 176.870 -0.087 0.000 1.237 172 L CA 1.273 56.049 54.840 -0.106 0.000 0.905 172 L CB -0.274 41.740 42.059 -0.075 0.000 1.149 172 L HN 0.914 nan 8.230 nan 0.000 0.499 173 N N 2.301 120.976 118.700 -0.043 0.000 2.713 173 N HA -0.232 4.510 4.740 0.003 0.000 0.251 173 N C 0.415 175.925 175.510 -0.001 0.000 1.117 173 N CA 1.326 54.371 53.050 -0.009 0.000 0.770 173 N CB -0.572 37.910 38.487 -0.008 0.000 1.137 173 N HN 0.754 nan 8.380 nan 0.000 0.566 174 Q N -1.148 118.626 119.800 -0.043 0.000 2.474 174 Q HA 0.221 4.563 4.340 0.003 0.000 0.191 174 Q C 0.246 176.322 176.000 0.128 0.000 0.700 174 Q CA 0.845 56.641 55.803 -0.012 0.000 0.849 174 Q CB 0.651 29.282 28.738 -0.179 0.000 1.232 174 Q HN 0.526 nan 8.270 nan 0.000 0.563 175 Y N -1.471 118.875 120.300 0.076 0.000 2.677 175 Y HA 0.657 5.208 4.550 0.003 0.000 0.334 175 Y C -1.745 174.210 175.900 0.092 0.000 1.196 175 Y CA -1.403 56.763 58.100 0.109 0.000 1.059 175 Y CB 0.894 39.408 38.460 0.090 0.000 1.315 175 Y HN -0.190 nan 8.280 nan 0.000 0.455 176 D N 1.065 121.706 120.400 0.401 0.000 2.619 176 D HA 0.588 5.230 4.640 0.003 0.000 0.241 176 D C -1.333 175.165 176.300 0.329 0.000 1.087 176 D CA -0.458 53.689 54.000 0.244 0.000 0.851 176 D CB 3.193 44.059 40.800 0.109 0.000 1.474 176 D HN 0.465 nan 8.370 nan 0.000 0.478 177 V N 2.345 122.329 119.914 0.117 0.000 2.540 177 V HA 0.469 4.591 4.120 0.003 0.000 0.302 177 V C -0.726 175.300 176.094 -0.113 0.000 1.035 177 V CA -0.669 61.688 62.300 0.094 0.000 0.873 177 V CB 1.206 33.067 31.823 0.062 0.000 0.992 177 V HN 0.361 nan 8.190 nan 0.000 0.428 178 F N 3.636 123.618 119.950 0.054 0.000 2.508 178 F HA 0.779 5.308 4.527 0.003 0.000 0.325 178 F C 0.152 176.003 175.800 0.086 0.000 1.090 178 F CA -0.820 57.208 58.000 0.047 0.000 0.945 178 F CB 2.192 41.176 39.000 -0.026 0.000 1.156 178 F HN 0.402 nan 8.300 nan 0.000 0.463 179 V N 0.154 120.263 119.914 0.326 0.000 2.864 179 V HA 0.627 4.748 4.120 0.003 0.000 0.314 179 V C -0.179 176.154 176.094 0.397 0.000 1.073 179 V CA -1.409 61.070 62.300 0.298 0.000 0.956 179 V CB 1.681 33.594 31.823 0.150 0.000 1.023 179 V HN 0.826 nan 8.190 nan 0.000 0.435 180 R N 2.652 123.340 120.500 0.314 0.000 2.583 180 R HA 0.025 4.366 4.340 0.003 0.000 0.274 180 R C 0.197 176.470 176.300 -0.045 0.000 0.998 180 R CA 0.138 56.228 56.100 -0.017 0.000 1.081 180 R CB 0.155 30.409 30.300 -0.078 0.000 0.940 180 R HN 0.959 nan 8.270 nan 0.000 0.413 181 N N 3.402 122.003 118.700 -0.164 0.000 2.399 181 N HA -0.045 4.696 4.740 0.003 0.000 0.259 181 N C -0.020 175.465 175.510 -0.043 0.000 1.160 181 N CA 0.110 53.120 53.050 -0.066 0.000 0.946 181 N CB 0.930 39.376 38.487 -0.068 0.000 1.156 181 N HN 0.559 nan 8.380 nan 0.000 0.489 182 E N 2.060 122.257 120.200 -0.004 0.000 2.418 182 E HA -0.037 4.315 4.350 0.003 0.000 0.197 182 E C -0.167 176.445 176.600 0.019 0.000 1.026 182 E CA 0.624 57.024 56.400 0.000 0.000 0.862 182 E CB 0.118 29.823 29.700 0.009 0.000 0.799 182 E HN 0.572 nan 8.360 nan 0.000 0.518 183 N N 0.404 119.130 118.700 0.043 0.000 2.328 183 N HA -0.032 4.710 4.740 0.003 0.000 0.247 183 N C -0.324 175.236 175.510 0.085 0.000 1.165 183 N CA -0.231 52.851 53.050 0.053 0.000 0.873 183 N CB 0.033 38.556 38.487 0.059 0.000 1.125 183 N HN 0.094 nan 8.380 nan 0.000 0.513 184 Y N 2.249 122.498 120.300 -0.085 0.000 2.620 184 Y HA -0.085 4.467 4.550 0.003 0.000 0.330 184 Y C 1.702 177.520 175.900 -0.135 0.000 1.186 184 Y CA -0.752 57.260 58.100 -0.147 0.000 1.467 184 Y CB 0.413 38.702 38.460 -0.284 0.000 1.262 184 Y HN 0.255 nan 8.280 nan 0.000 0.550 185 W N 5.016 125.890 121.300 -0.710 0.000 2.392 185 W HA 0.062 4.724 4.660 0.003 0.000 0.279 185 W C 0.263 176.344 176.519 -0.731 0.000 1.225 185 W CA 0.724 57.688 57.345 -0.634 0.000 1.233 185 W CB -1.023 28.105 29.460 -0.553 0.000 1.122 185 W HN 0.657 nan 8.180 nan 0.000 0.561 186 G N 0.874 108.478 108.800 -1.992 0.000 2.782 186 G HA2 0.211 4.173 3.960 0.003 0.000 0.201 186 G HA3 0.211 4.173 3.960 0.003 0.000 0.201 186 G C -0.956 173.630 174.900 -0.522 0.000 1.374 186 G CA -0.866 43.413 45.100 -1.369 0.000 1.039 186 G HN 0.103 nan 8.290 nan 0.000 0.576 187 E N 0.004 120.056 120.200 -0.247 0.000 2.415 187 E HA 0.186 4.538 4.350 0.003 0.000 0.263 187 E C -0.137 176.462 176.600 -0.001 0.000 0.995 187 E CA -0.200 56.154 56.400 -0.077 0.000 0.915 187 E CB 0.441 30.117 29.700 -0.040 0.000 0.951 187 E HN 0.211 nan 8.360 nan 0.000 0.449 188 K N 5.437 125.817 120.400 -0.034 0.000 2.447 188 K HA 0.116 4.438 4.320 0.003 0.000 0.281 188 K C -2.355 174.183 176.600 -0.103 0.000 1.031 188 K CA -1.235 55.011 56.287 -0.068 0.000 1.019 188 K CB 0.550 33.019 32.500 -0.053 0.000 0.918 188 K HN 0.283 nan 8.250 nan 0.000 0.476 189 P HA 0.011 nan 4.420 nan 0.000 0.269 189 P C -0.351 176.927 177.300 -0.036 0.000 1.209 189 P CA -0.091 62.922 63.100 -0.145 0.000 0.776 189 P CB 1.138 32.620 31.700 -0.364 0.000 0.876 190 A N 3.547 126.390 122.820 0.038 0.000 1.930 190 A HA -0.045 4.277 4.320 0.003 0.000 0.217 190 A C 1.096 178.734 177.584 0.089 0.000 1.175 190 A CA 1.084 53.152 52.037 0.052 0.000 0.627 190 A CB -0.673 18.359 19.000 0.054 0.000 0.815 190 A HN 0.475 nan 8.150 nan 0.000 0.443 191 I N 0.479 121.156 120.570 0.178 0.000 2.441 191 I HA 0.102 4.274 4.170 0.003 0.000 0.287 191 I C 0.850 177.132 176.117 0.276 0.000 1.049 191 I CA 0.201 61.637 61.300 0.228 0.000 1.381 191 I CB 1.105 39.276 38.000 0.284 0.000 1.409 191 I HN 0.309 nan 8.210 nan 0.000 0.523 192 K N 4.163 124.670 120.400 0.178 0.000 2.166 192 K HA 0.061 4.382 4.320 0.003 0.000 0.201 192 K C 0.632 177.364 176.600 0.220 0.000 1.052 192 K CA 0.669 57.054 56.287 0.163 0.000 0.969 192 K CB 0.496 33.047 32.500 0.084 0.000 0.761 192 K HN 0.434 nan 8.250 nan 0.000 0.459 193 K N 0.987 121.478 120.400 0.151 0.000 2.501 193 K HA 0.390 4.711 4.320 0.003 0.000 0.252 193 K C -1.662 174.909 176.600 -0.049 0.000 0.934 193 K CA -0.448 55.890 56.287 0.086 0.000 0.797 193 K CB 1.550 34.074 32.500 0.039 0.000 1.270 193 K HN -0.108 nan 8.250 nan 0.000 0.431 194 I N 2.710 123.206 120.570 -0.124 0.000 2.478 194 I HA 0.233 4.404 4.170 0.003 0.000 0.287 194 I C -0.688 175.331 176.117 -0.162 0.000 1.042 194 I CA -0.756 60.339 61.300 -0.342 0.000 1.067 194 I CB 2.344 39.861 38.000 -0.804 0.000 1.233 194 I HN 0.501 nan 8.210 nan 0.000 0.431 195 T N 5.933 120.353 114.554 -0.223 0.000 2.771 195 T HA 0.532 4.884 4.350 0.003 0.000 0.281 195 T C -0.644 173.963 174.700 -0.154 0.000 0.982 195 T CA -0.235 61.825 62.100 -0.068 0.000 0.978 195 T CB 0.535 69.347 68.868 -0.094 0.000 0.930 195 T HN 0.114 nan 8.240 nan 0.000 0.447 196 F N 3.400 123.416 119.950 0.110 0.000 2.361 196 F HA 0.387 4.916 4.527 0.003 0.000 0.364 196 F C 0.732 176.654 175.800 0.205 0.000 1.117 196 F CA -1.190 56.906 58.000 0.161 0.000 1.071 196 F CB 0.742 39.885 39.000 0.239 0.000 1.188 196 F HN 0.344 nan 8.300 nan 0.000 0.464 197 N N 2.228 121.099 118.700 0.285 0.000 2.497 197 N HA 0.163 4.905 4.740 0.003 0.000 0.271 197 N C -0.532 175.143 175.510 0.276 0.000 1.142 197 N CA -0.252 52.951 53.050 0.255 0.000 0.965 197 N CB 1.561 40.141 38.487 0.155 0.000 1.077 197 N HN 0.219 nan 8.380 nan 0.000 0.462 198 V N 4.434 124.495 119.914 0.246 0.000 2.397 198 V HA 0.176 4.298 4.120 0.003 0.000 0.262 198 V C 0.541 176.715 176.094 0.134 0.000 1.047 198 V CA 0.071 62.492 62.300 0.201 0.000 1.003 198 V CB -0.654 31.261 31.823 0.153 0.000 1.037 198 V HN 0.470 nan 8.190 nan 0.000 0.480 199 I N 7.991 128.629 120.570 0.113 0.000 2.583 199 I HA 0.281 4.453 4.170 0.003 0.000 0.276 199 I C -1.671 174.453 176.117 0.013 0.000 1.089 199 I CA -1.433 59.904 61.300 0.063 0.000 1.103 199 I CB 2.351 40.392 38.000 0.069 0.000 1.209 199 I HN 0.390 nan 8.210 nan 0.000 0.484 200 P HA -0.071 nan 4.420 nan 0.000 0.225 200 P C 0.241 177.510 177.300 -0.052 0.000 1.156 200 P CA 0.943 64.021 63.100 -0.037 0.000 0.787 200 P CB 0.359 32.047 31.700 -0.021 0.000 0.802 201 D N 0.697 121.079 120.400 -0.031 0.000 2.249 201 D HA 0.093 4.735 4.640 0.003 0.000 0.246 201 D C -1.458 174.818 176.300 -0.039 0.000 1.114 201 D CA -2.374 51.606 54.000 -0.033 0.000 0.854 201 D CB 1.772 42.562 40.800 -0.016 0.000 1.132 201 D HN -0.035 nan 8.370 nan 0.000 0.461 202 P HA -0.088 nan 4.420 nan 0.000 0.219 202 P C 1.362 178.637 177.300 -0.041 0.000 1.150 202 P CA 0.772 63.833 63.100 -0.065 0.000 0.814 202 P CB 0.350 31.995 31.700 -0.091 0.000 0.787 203 T N -0.528 114.003 114.554 -0.038 0.000 2.777 203 T HA -0.071 4.281 4.350 0.003 0.000 0.266 203 T C 1.700 176.402 174.700 0.003 0.000 1.040 203 T CA 1.975 64.058 62.100 -0.028 0.000 1.141 203 T CB -0.793 68.056 68.868 -0.033 0.000 0.868 203 T HN 0.159 nan 8.240 nan 0.000 0.444 204 T N 1.614 116.173 114.554 0.007 0.000 2.867 204 T HA 0.005 4.356 4.350 0.003 0.000 0.268 204 T C 2.078 176.806 174.700 0.047 0.000 1.057 204 T CA 0.732 62.847 62.100 0.026 0.000 1.136 204 T CB -0.088 68.793 68.868 0.021 0.000 0.874 204 T HN 0.352 nan 8.240 nan 0.000 0.466 205 R N 1.001 121.524 120.500 0.039 0.000 2.096 205 R HA 0.027 4.369 4.340 0.003 0.000 0.235 205 R C 2.829 179.204 176.300 0.124 0.000 1.127 205 R CA 1.274 57.413 56.100 0.066 0.000 0.968 205 R CB -0.453 29.864 30.300 0.028 0.000 0.861 205 R HN 0.373 nan 8.270 nan 0.000 0.440 206 A N 0.664 123.556 122.820 0.120 0.000 1.902 206 A HA -0.109 4.213 4.320 0.003 0.000 0.217 206 A C 2.341 180.090 177.584 0.275 0.000 1.181 206 A CA 1.354 53.532 52.037 0.235 0.000 0.623 206 A CB -0.448 18.610 19.000 0.097 0.000 0.818 206 A HN 0.113 nan 8.150 nan 0.000 0.443 207 V N -0.120 119.884 119.914 0.151 0.000 2.358 207 V HA -0.224 3.897 4.120 0.003 0.000 0.246 207 V C 3.042 179.187 176.094 0.084 0.000 1.047 207 V CA 1.825 64.193 62.300 0.113 0.000 1.035 207 V CB -1.307 30.556 31.823 0.066 0.000 0.658 207 V HN 0.603 nan 8.190 nan 0.000 0.452 208 A N -0.375 122.498 122.820 0.088 0.000 1.940 208 A HA -0.255 4.067 4.320 0.003 0.000 0.219 208 A C 2.114 179.725 177.584 0.045 0.000 1.176 208 A CA 2.147 54.221 52.037 0.061 0.000 0.631 208 A CB -0.683 18.363 19.000 0.076 0.000 0.814 208 A HN 0.546 nan 8.150 nan 0.000 0.446 209 F N 0.499 120.429 119.950 -0.033 0.000 2.084 209 F HA -0.082 4.446 4.527 0.001 0.000 0.296 209 F C 2.170 177.845 175.800 -0.210 0.000 1.111 209 F CA 2.029 59.957 58.000 -0.120 0.000 1.224 209 F CB -0.352 38.553 39.000 -0.159 0.000 0.991 209 F HN 0.370 nan 8.300 nan 0.000 0.471 210 E N -0.480 119.585 120.200 -0.225 0.000 2.153 210 E HA -0.217 4.134 4.350 0.003 0.000 0.194 210 E C 1.926 178.404 176.600 -0.203 0.000 0.988 210 E CA 1.714 57.924 56.400 -0.317 0.000 0.811 210 E CB -0.210 29.511 29.700 0.034 0.000 0.746 210 E HN 0.542 nan 8.360 nan 0.000 0.466 211 T N -3.527 110.944 114.554 -0.138 0.000 3.085 211 T HA 0.146 4.498 4.350 0.003 0.000 0.263 211 T C 1.531 176.143 174.700 -0.146 0.000 1.127 211 T CA 0.608 62.649 62.100 -0.097 0.000 1.103 211 T CB 0.180 69.020 68.868 -0.047 0.000 0.921 211 T HN 0.324 nan 8.240 nan 0.000 0.510 212 G N 1.258 109.901 108.800 -0.262 0.000 2.162 212 G HA2 -0.317 3.645 3.960 0.003 0.000 0.260 212 G HA3 -0.317 3.645 3.960 0.003 0.000 0.260 212 G C 0.467 175.280 174.900 -0.145 0.000 0.976 212 G CA 0.519 45.468 45.100 -0.251 0.000 0.655 212 G HN 0.572 nan 8.290 nan 0.000 0.533 213 D N 0.180 120.520 120.400 -0.101 0.000 2.144 213 D HA 0.023 4.665 4.640 0.003 0.000 0.199 213 D C 1.629 177.906 176.300 -0.038 0.000 0.984 213 D CA 1.539 55.508 54.000 -0.053 0.000 0.834 213 D CB 0.007 40.794 40.800 -0.022 0.000 0.955 213 D HN 0.907 nan 8.370 nan 0.000 0.465 214 I N -3.488 117.067 120.570 -0.025 0.000 2.910 214 I HA 0.407 4.579 4.170 0.003 0.000 0.310 214 I C -0.183 175.963 176.117 0.049 0.000 1.043 214 I CA -0.793 60.520 61.300 0.022 0.000 1.053 214 I CB 2.215 40.262 38.000 0.079 0.000 1.242 214 I HN -0.371 nan 8.210 nan 0.000 0.452 215 D N 2.314 122.765 120.400 0.084 0.000 2.423 215 D HA 0.336 4.977 4.640 0.003 0.000 0.208 215 D C -0.035 176.427 176.300 0.270 0.000 1.068 215 D CA 0.697 54.772 54.000 0.125 0.000 0.860 215 D CB 1.711 42.539 40.800 0.047 0.000 0.992 215 D HN 0.329 nan 8.370 nan 0.000 0.504 216 L N 0.818 122.175 121.223 0.225 0.000 2.549 216 L HA 0.379 4.721 4.340 0.003 0.000 0.259 216 L C -2.031 174.905 176.870 0.110 0.000 0.934 216 L CA -0.456 54.475 54.840 0.151 0.000 0.865 216 L CB 2.255 44.388 42.059 0.124 0.000 1.352 216 L HN -0.222 nan 8.230 nan 0.000 0.410 217 L N 4.262 125.510 121.223 0.043 0.000 2.408 217 L HA 0.540 4.882 4.340 0.003 0.000 0.268 217 L C -1.698 175.244 176.870 0.119 0.000 0.986 217 L CA -0.619 54.261 54.840 0.067 0.000 0.820 217 L CB 2.487 44.538 42.059 -0.014 0.000 1.303 217 L HN 0.532 nan 8.230 nan 0.000 0.411 218 Y N 2.071 122.379 120.300 0.013 0.000 2.362 218 Y HA 0.714 5.266 4.550 0.004 0.000 0.326 218 Y C -0.184 175.738 175.900 0.037 0.000 1.083 218 Y CA -0.249 57.853 58.100 0.004 0.000 1.073 218 Y CB 2.010 40.439 38.460 -0.051 0.000 1.211 218 Y HN 0.657 nan 8.280 nan 0.000 0.433 219 G N 3.879 112.669 108.800 -0.016 0.000 2.325 219 G HA2 0.170 4.132 3.960 0.003 0.000 0.295 219 G HA3 0.170 4.132 3.960 0.003 0.000 0.295 219 G C -1.620 173.204 174.900 -0.127 0.000 1.274 219 G CA -0.755 44.360 45.100 0.026 0.000 0.857 219 G HN 0.806 nan 8.290 nan 0.000 0.499 220 N N -0.573 118.063 118.700 -0.107 0.000 2.452 220 N HA 0.219 4.961 4.740 0.003 0.000 0.296 220 N C 1.391 176.782 175.510 -0.198 0.000 1.304 220 N CA 0.442 53.406 53.050 -0.145 0.000 0.956 220 N CB 0.075 38.507 38.487 -0.092 0.000 1.106 220 N HN 0.613 nan 8.380 nan 0.000 0.555 221 E N -1.512 118.576 120.200 -0.187 0.000 2.333 221 E HA -0.084 4.268 4.350 0.003 0.000 0.198 221 E C 1.094 177.573 176.600 -0.201 0.000 1.007 221 E CA 1.393 57.668 56.400 -0.208 0.000 0.845 221 E CB -1.006 28.592 29.700 -0.171 0.000 0.766 221 E HN 0.756 nan 8.360 nan 0.000 0.507 222 G N 0.880 109.569 108.800 -0.185 0.000 3.042 222 G HA2 0.067 4.029 3.960 0.003 0.000 0.212 222 G HA3 0.067 4.029 3.960 0.003 0.000 0.212 222 G C 1.288 176.076 174.900 -0.186 0.000 1.166 222 G CA 0.164 45.157 45.100 -0.179 0.000 0.767 222 G HN 0.235 nan 8.290 nan 0.000 0.546 223 L N 0.436 121.540 121.223 -0.198 0.000 1.989 223 L HA 0.236 4.578 4.340 0.003 0.000 0.211 223 L C 0.956 177.740 176.870 -0.143 0.000 1.071 223 L CA 1.790 56.520 54.840 -0.182 0.000 0.749 223 L CB -0.141 41.808 42.059 -0.183 0.000 0.890 223 L HN 0.338 nan 8.230 nan 0.000 0.431 224 L N -6.295 114.840 121.223 -0.146 0.000 2.600 224 L HA 0.606 4.948 4.340 0.003 0.000 0.257 224 L C -2.725 174.067 176.870 -0.131 0.000 1.048 224 L CA -1.949 52.827 54.840 -0.107 0.000 0.869 224 L CB 0.913 42.943 42.059 -0.049 0.000 1.482 224 L HN -0.357 nan 8.230 nan 0.000 0.408 225 P HA 0.231 nan 4.420 nan 0.000 0.268 225 P C 0.554 177.761 177.300 -0.155 0.000 1.204 225 P CA -0.050 62.963 63.100 -0.145 0.000 0.768 225 P CB 0.711 32.318 31.700 -0.155 0.000 0.842 226 L N 1.898 123.044 121.223 -0.129 0.000 2.217 226 L HA -0.130 4.212 4.340 0.003 0.000 0.211 226 L C 1.893 178.647 176.870 -0.194 0.000 1.107 226 L CA 1.236 56.031 54.840 -0.075 0.000 0.783 226 L CB -0.695 41.355 42.059 -0.015 0.000 0.919 226 L HN 0.421 nan 8.230 nan 0.000 0.442 227 D N -1.247 118.892 120.400 -0.435 0.000 2.117 227 D HA -0.158 4.484 4.640 0.003 0.000 0.198 227 D C 1.868 177.809 176.300 -0.599 0.000 0.982 227 D CA 1.619 55.044 54.000 -0.957 0.000 0.828 227 D CB -0.747 39.518 40.800 -0.892 0.000 0.967 227 D HN 0.115 nan 8.370 nan 0.000 0.464 228 T N 0.198 114.482 114.554 -0.450 0.000 2.708 228 T HA -0.121 4.231 4.350 0.003 0.000 0.266 228 T C 1.519 175.797 174.700 -0.703 0.000 1.037 228 T CA 1.160 62.910 62.100 -0.583 0.000 1.146 228 T CB -0.715 67.802 68.868 -0.586 0.000 0.865 228 T HN 0.174 nan 8.240 nan 0.000 0.435 229 F N 2.433 122.053 119.950 -0.550 0.000 2.091 229 F HA -0.132 4.399 4.527 0.008 0.000 0.299 229 F C 2.470 178.161 175.800 -0.182 0.000 1.103 229 F CA 1.168 58.973 58.000 -0.325 0.000 1.228 229 F CB -0.772 38.112 39.000 -0.194 0.000 0.984 229 F HN 0.152 nan 8.300 nan 0.000 0.477 230 A N 0.501 123.202 122.820 -0.198 0.000 1.908 230 A HA -0.252 4.070 4.320 0.003 0.000 0.218 230 A C 2.397 179.875 177.584 -0.177 0.000 1.181 230 A CA 1.923 53.858 52.037 -0.170 0.000 0.627 230 A CB -0.953 18.032 19.000 -0.025 0.000 0.818 230 A HN 0.519 nan 8.150 nan 0.000 0.445 231 R N -1.621 118.752 120.500 -0.211 0.000 2.081 231 R HA -0.135 4.207 4.340 0.003 0.000 0.235 231 R C 1.795 178.151 176.300 0.093 0.000 1.131 231 R CA 1.776 57.828 56.100 -0.080 0.000 0.960 231 R CB -0.420 29.814 30.300 -0.110 0.000 0.856 231 R HN 0.402 nan 8.270 nan 0.000 0.436 232 F N 1.291 121.198 119.950 -0.071 0.000 2.126 232 F HA -0.195 4.331 4.527 -0.001 0.000 0.299 232 F C 2.741 178.509 175.800 -0.052 0.000 1.096 232 F CA 1.530 59.552 58.000 0.037 0.000 1.255 232 F CB -1.228 37.686 39.000 -0.143 0.000 0.997 232 F HN 0.202 nan 8.300 nan 0.000 0.479 233 S N -0.414 115.220 115.700 -0.110 0.000 2.442 233 S HA -0.207 4.264 4.470 0.003 0.000 0.236 233 S C 1.508 176.078 174.600 -0.050 0.000 1.007 233 S CA 1.032 59.120 58.200 -0.186 0.000 0.965 233 S CB -0.661 62.325 63.200 -0.358 0.000 0.773 233 S HN 0.586 nan 8.310 nan 0.000 0.504 234 Q N 0.790 120.590 119.800 0.001 0.000 2.360 234 Q HA 0.274 4.616 4.340 0.003 0.000 0.202 234 Q C -0.124 175.889 176.000 0.020 0.000 0.915 234 Q CA -0.136 55.675 55.803 0.013 0.000 0.943 234 Q CB 0.072 28.820 28.738 0.017 0.000 1.064 234 Q HN 0.450 nan 8.270 nan 0.000 0.511 235 N N 1.184 119.910 118.700 0.043 0.000 2.446 235 N HA 0.132 4.874 4.740 0.003 0.000 0.265 235 N C -2.113 173.337 175.510 -0.101 0.000 0.975 235 N CA -2.206 50.819 53.050 -0.042 0.000 0.928 235 N CB 1.519 39.977 38.487 -0.049 0.000 1.160 235 N HN -0.164 nan 8.380 nan 0.000 0.495 236 P HA -0.040 nan 4.420 nan 0.000 0.228 236 P C 0.754 177.974 177.300 -0.132 0.000 1.151 236 P CA 0.505 63.559 63.100 -0.077 0.000 0.770 236 P CB 0.230 31.896 31.700 -0.057 0.000 0.786 237 A N -1.728 120.903 122.820 -0.315 0.000 2.067 237 A HA -0.066 4.255 4.320 0.003 0.000 0.219 237 A C 0.584 178.003 177.584 -0.276 0.000 1.158 237 A CA 1.027 52.815 52.037 -0.415 0.000 0.661 237 A CB -0.784 17.785 19.000 -0.718 0.000 0.801 237 A HN 0.123 nan 8.150 nan 0.000 0.452 238 Y N -2.405 117.915 120.300 0.033 0.000 2.630 238 Y HA 0.637 5.190 4.550 0.004 0.000 0.337 238 Y C -0.004 175.974 175.900 0.130 0.000 1.051 238 Y CA -2.049 56.109 58.100 0.098 0.000 1.121 238 Y CB 0.645 39.126 38.460 0.035 0.000 1.299 238 Y HN 0.262 nan 8.280 nan 0.000 0.498 239 H N -0.105 119.096 119.070 0.218 0.000 2.538 239 H HA 0.667 5.224 4.556 0.002 0.000 0.353 239 H C -1.020 174.331 175.328 0.038 0.000 1.109 239 H CA -0.569 55.537 56.048 0.096 0.000 1.192 239 H CB 1.454 31.264 29.762 0.080 0.000 1.555 239 H HN 0.727 nan 8.280 nan 0.000 0.518 240 T N 2.153 116.401 114.554 -0.509 0.000 2.907 240 T HA 0.619 4.971 4.350 0.003 0.000 0.292 240 T C -0.689 173.778 174.700 -0.390 0.000 1.043 240 T CA -1.042 60.837 62.100 -0.367 0.000 1.003 240 T CB 2.169 70.787 68.868 -0.417 0.000 1.084 240 T HN 0.669 nan 8.240 nan 0.000 0.483 241 Q N 0.372 120.157 119.800 -0.025 0.000 2.421 241 Q HA 0.716 5.058 4.340 0.003 0.000 0.280 241 Q C -1.939 174.201 176.000 0.233 0.000 1.085 241 Q CA -1.098 54.755 55.803 0.082 0.000 0.807 241 Q CB 2.910 31.704 28.738 0.093 0.000 1.405 241 Q HN 0.616 nan 8.270 nan 0.000 0.419 242 L N 1.376 122.708 121.223 0.183 0.000 2.439 242 L HA 0.479 4.820 4.340 0.003 0.000 0.270 242 L C -0.548 176.324 176.870 0.003 0.000 0.972 242 L CA -0.121 54.759 54.840 0.067 0.000 0.836 242 L CB 2.042 44.170 42.059 0.114 0.000 1.255 242 L HN 0.810 nan 8.230 nan 0.000 0.404 243 S N 3.548 119.134 115.700 -0.191 0.000 2.634 243 S HA 0.449 4.921 4.470 0.003 0.000 0.261 243 S C 0.075 174.559 174.600 -0.192 0.000 1.271 243 S CA -0.625 57.356 58.200 -0.363 0.000 0.985 243 S CB 0.604 63.250 63.200 -0.923 0.000 0.968 243 S HN 0.690 nan 8.310 nan 0.000 0.568 244 Q N 0.938 120.639 119.800 -0.164 0.000 2.421 244 Q HA 0.245 4.587 4.340 0.003 0.000 0.255 244 Q C -2.272 173.655 176.000 -0.121 0.000 1.013 244 Q CA -1.294 54.449 55.803 -0.101 0.000 0.895 244 Q CB -0.470 28.226 28.738 -0.070 0.000 1.271 244 Q HN 0.493 nan 8.270 nan 0.000 0.460 245 P HA -0.053 nan 4.420 nan 0.000 0.266 245 P C 0.255 177.515 177.300 -0.067 0.000 1.195 245 P CA 0.622 63.691 63.100 -0.052 0.000 0.768 245 P CB 0.264 31.969 31.700 0.008 0.000 0.838 246 I N -0.010 120.530 120.570 -0.050 0.000 4.139 246 I HA 0.360 4.532 4.170 0.003 0.000 0.320 246 I C 0.492 176.615 176.117 0.009 0.000 1.290 246 I CA 0.155 61.437 61.300 -0.030 0.000 1.253 246 I CB 0.171 38.151 38.000 -0.034 0.000 1.122 246 I HN 0.308 nan 8.210 nan 0.000 0.421 247 E N 0.685 120.898 120.200 0.021 0.000 2.432 247 E HA 0.349 4.701 4.350 0.003 0.000 0.279 247 E C -1.358 175.288 176.600 0.075 0.000 1.099 247 E CA -0.844 55.577 56.400 0.035 0.000 0.859 247 E CB 1.119 30.835 29.700 0.027 0.000 1.402 247 E HN -0.066 nan 8.360 nan 0.000 0.451 248 T N 0.813 115.376 114.554 0.015 0.000 2.867 248 T HA 0.489 4.841 4.350 0.003 0.000 0.282 248 T C -0.471 174.164 174.700 -0.109 0.000 1.000 248 T CA -0.547 61.559 62.100 0.010 0.000 1.042 248 T CB 1.372 70.196 68.868 -0.074 0.000 0.973 248 T HN 0.309 nan 8.240 nan 0.000 0.465 249 V N 5.285 125.140 119.914 -0.098 0.000 2.513 249 V HA 0.750 4.871 4.120 0.003 0.000 0.299 249 V C 0.031 176.091 176.094 -0.056 0.000 1.035 249 V CA -0.656 61.603 62.300 -0.069 0.000 0.889 249 V CB 1.374 33.165 31.823 -0.054 0.000 0.988 249 V HN 0.945 nan 8.190 nan 0.000 0.440 250 M N 4.555 124.167 119.600 0.021 0.000 3.008 250 M HA 0.654 5.136 4.480 0.003 0.000 0.271 250 M C -2.304 174.059 176.300 0.105 0.000 1.265 250 M CA -0.826 54.496 55.300 0.037 0.000 0.817 250 M CB 2.238 34.834 32.600 -0.005 0.000 1.638 250 M HN 0.306 nan 8.290 nan 0.000 0.479 251 L N 1.785 123.029 121.223 0.035 0.000 2.325 251 L HA 0.796 5.138 4.340 0.003 0.000 0.279 251 L C 0.079 177.011 176.870 0.103 0.000 1.054 251 L CA -0.827 53.990 54.840 -0.038 0.000 0.804 251 L CB 1.634 43.592 42.059 -0.168 0.000 1.200 251 L HN 0.882 nan 8.230 nan 0.000 0.436 252 A N 4.513 127.375 122.820 0.070 0.000 2.274 252 A HA 0.722 5.044 4.320 0.003 0.000 0.309 252 A C -0.578 177.001 177.584 -0.008 0.000 1.226 252 A CA -0.495 51.575 52.037 0.056 0.000 0.853 252 A CB 0.432 19.442 19.000 0.018 0.000 1.146 252 A HN 0.646 nan 8.150 nan 0.000 0.518 253 L N 2.415 123.598 121.223 -0.067 0.000 2.295 253 L HA 0.353 4.694 4.340 0.003 0.000 0.285 253 L C 0.256 177.118 176.870 -0.014 0.000 1.035 253 L CA -0.929 53.894 54.840 -0.030 0.000 0.806 253 L CB 1.222 43.222 42.059 -0.098 0.000 1.214 253 L HN 0.687 nan 8.230 nan 0.000 0.426 254 N N 1.546 120.254 118.700 0.013 0.000 2.415 254 N HA 0.010 4.751 4.740 0.003 0.000 0.250 254 N C 1.070 176.488 175.510 -0.153 0.000 1.127 254 N CA -0.067 52.897 53.050 -0.143 0.000 0.945 254 N CB 1.113 39.357 38.487 -0.405 0.000 1.196 254 N HN 0.736 nan 8.380 nan 0.000 0.499 255 T N 0.089 114.552 114.554 -0.152 0.000 3.113 255 T HA 0.022 4.374 4.350 0.003 0.000 0.263 255 T C 1.195 175.819 174.700 -0.126 0.000 1.143 255 T CA 0.725 62.746 62.100 -0.130 0.000 1.090 255 T CB 0.063 68.851 68.868 -0.132 0.000 0.922 255 T HN 0.357 nan 8.240 nan 0.000 0.521 256 A N 0.104 122.829 122.820 -0.158 0.000 2.387 256 A HA 0.435 4.757 4.320 0.003 0.000 0.234 256 A C 0.705 178.210 177.584 -0.131 0.000 1.253 256 A CA -0.407 51.545 52.037 -0.142 0.000 0.894 256 A CB 0.077 18.980 19.000 -0.162 0.000 0.963 256 A HN 0.434 nan 8.150 nan 0.000 0.508 257 K N 0.537 120.857 120.400 -0.134 0.000 2.443 257 K HA 0.622 4.944 4.320 0.003 0.000 0.252 257 K C -0.478 176.082 176.600 -0.067 0.000 0.933 257 K CA -0.581 55.640 56.287 -0.111 0.000 0.792 257 K CB 1.807 34.212 32.500 -0.158 0.000 1.185 257 K HN 0.163 nan 8.250 nan 0.000 0.425 258 A N 4.362 127.165 122.820 -0.029 0.000 2.498 258 A HA 0.195 4.516 4.320 0.003 0.000 0.239 258 A C -1.694 175.887 177.584 -0.004 0.000 1.068 258 A CA -0.721 51.326 52.037 0.016 0.000 0.766 258 A CB -0.092 18.941 19.000 0.055 0.000 1.003 258 A HN 0.671 nan 8.150 nan 0.000 0.497 259 P HA 0.021 nan 4.420 nan 0.000 0.261 259 P C 0.941 178.208 177.300 -0.056 0.000 1.268 259 P CA 0.858 63.958 63.100 -0.001 0.000 0.833 259 P CB -0.068 31.529 31.700 -0.172 0.000 1.231 260 T N -2.033 112.474 114.554 -0.078 0.000 3.163 260 T HA -0.097 4.254 4.350 0.003 0.000 0.260 260 T C 1.525 176.185 174.700 -0.068 0.000 1.156 260 T CA 0.527 62.576 62.100 -0.086 0.000 1.072 260 T CB -1.063 67.752 68.868 -0.088 0.000 0.937 260 T HN 0.167 nan 8.240 nan 0.000 0.528 261 N N 1.697 120.371 118.700 -0.045 0.000 2.453 261 N HA -0.113 4.629 4.740 0.003 0.000 0.183 261 N C 0.173 175.676 175.510 -0.013 0.000 1.041 261 N CA 0.470 53.497 53.050 -0.038 0.000 0.900 261 N CB -0.239 38.233 38.487 -0.026 0.000 0.961 261 N HN 0.564 nan 8.380 nan 0.000 0.443 262 E N 0.618 120.828 120.200 0.016 0.000 2.194 262 E HA 0.070 4.422 4.350 0.003 0.000 0.284 262 E C 0.735 177.342 176.600 0.012 0.000 1.035 262 E CA -0.514 55.915 56.400 0.047 0.000 0.836 262 E CB 1.786 31.574 29.700 0.145 0.000 1.070 262 E HN 0.043 nan 8.360 nan 0.000 0.401 263 L N 4.473 125.701 121.223 0.008 0.000 2.043 263 L HA -0.264 4.078 4.340 0.003 0.000 0.212 263 L C 2.034 178.907 176.870 0.004 0.000 1.075 263 L CA 2.525 57.361 54.840 -0.007 0.000 0.752 263 L CB -0.480 41.578 42.059 -0.001 0.000 0.891 263 L HN 0.691 nan 8.230 nan 0.000 0.432 264 A N -1.468 121.374 122.820 0.037 0.000 1.972 264 A HA -0.114 4.208 4.320 0.003 0.000 0.219 264 A C 2.252 179.847 177.584 0.018 0.000 1.169 264 A CA 1.774 53.841 52.037 0.051 0.000 0.635 264 A CB -0.981 18.075 19.000 0.093 0.000 0.810 264 A HN 0.333 nan 8.150 nan 0.000 0.446 265 V N 0.097 119.998 119.914 -0.021 0.000 2.307 265 V HA -0.256 3.866 4.120 0.003 0.000 0.245 265 V C 2.642 178.676 176.094 -0.100 0.000 1.045 265 V CA 2.189 64.412 62.300 -0.127 0.000 1.024 265 V CB -0.780 30.907 31.823 -0.226 0.000 0.651 265 V HN 0.540 nan 8.190 nan 0.000 0.449 266 R N -0.078 120.374 120.500 -0.079 0.000 2.081 266 R HA -0.165 4.177 4.340 0.003 0.000 0.235 266 R C 2.287 178.537 176.300 -0.084 0.000 1.131 266 R CA 1.666 57.713 56.100 -0.089 0.000 0.960 266 R CB -0.364 29.879 30.300 -0.094 0.000 0.856 266 R HN 0.624 nan 8.270 nan 0.000 0.436 267 E N 0.826 120.994 120.200 -0.054 0.000 2.058 267 E HA -0.202 4.149 4.350 0.003 0.000 0.194 267 E C 2.126 178.757 176.600 0.051 0.000 0.997 267 E CA 1.288 57.667 56.400 -0.035 0.000 0.801 267 E CB -0.180 29.547 29.700 0.046 0.000 0.746 267 E HN 0.361 nan 8.360 nan 0.000 0.450 268 A N 1.383 124.250 122.820 0.080 0.000 1.908 268 A HA -0.186 4.136 4.320 0.003 0.000 0.218 268 A C 2.239 179.855 177.584 0.055 0.000 1.181 268 A CA 1.223 53.323 52.037 0.105 0.000 0.627 268 A CB -0.734 18.277 19.000 0.019 0.000 0.818 268 A HN 0.138 nan 8.150 nan 0.000 0.445 269 L N -0.394 120.814 121.223 -0.025 0.000 2.083 269 L HA -0.196 4.146 4.340 0.003 0.000 0.209 269 L C 2.252 179.099 176.870 -0.039 0.000 1.083 269 L CA 1.311 56.126 54.840 -0.043 0.000 0.752 269 L CB -0.748 41.263 42.059 -0.081 0.000 0.899 269 L HN 0.440 nan 8.230 nan 0.000 0.433 270 N N -0.682 117.963 118.700 -0.093 0.000 2.381 270 N HA -0.169 4.573 4.740 0.003 0.000 0.182 270 N C 1.601 177.003 175.510 -0.181 0.000 1.025 270 N CA 1.207 54.154 53.050 -0.170 0.000 0.888 270 N CB 0.066 38.382 38.487 -0.285 0.000 0.965 270 N HN 0.358 nan 8.380 nan 0.000 0.438 271 Y N 0.315 120.610 120.300 -0.009 0.000 2.510 271 Y HA 0.215 4.766 4.550 0.003 0.000 0.273 271 Y C 2.130 178.059 175.900 0.048 0.000 1.119 271 Y CA -0.008 58.095 58.100 0.005 0.000 1.286 271 Y CB -0.018 38.424 38.460 -0.030 0.000 1.061 271 Y HN -0.006 nan 8.280 nan 0.000 0.542 272 A N -0.494 122.436 122.820 0.183 0.000 2.072 272 A HA 0.133 4.455 4.320 0.003 0.000 0.216 272 A C 0.756 178.490 177.584 0.250 0.000 1.156 272 A CA 0.350 52.494 52.037 0.178 0.000 0.701 272 A CB -0.494 18.556 19.000 0.083 0.000 0.816 272 A HN 0.003 nan 8.150 nan 0.000 0.458 273 V N 1.973 121.986 119.914 0.165 0.000 2.432 273 V HA 0.143 4.264 4.120 0.003 0.000 0.275 273 V C 0.056 176.136 176.094 -0.023 0.000 1.043 273 V CA -0.751 61.579 62.300 0.051 0.000 0.925 273 V CB 1.040 32.854 31.823 -0.016 0.000 0.985 273 V HN 0.465 nan 8.190 nan 0.000 0.466 274 N N 4.500 122.977 118.700 -0.371 0.000 2.605 274 N HA 0.142 4.884 4.740 0.003 0.000 0.258 274 N C 1.022 176.350 175.510 -0.303 0.000 1.156 274 N CA 0.058 52.691 53.050 -0.695 0.000 1.008 274 N CB 0.473 38.296 38.487 -1.107 0.000 1.354 274 N HN 0.596 nan 8.380 nan 0.000 0.509 275 K N 1.698 121.995 120.400 -0.171 0.000 2.057 275 K HA -0.087 4.234 4.320 0.003 0.000 0.207 275 K C 1.525 178.051 176.600 -0.123 0.000 1.049 275 K CA 0.893 57.107 56.287 -0.121 0.000 0.931 275 K CB 0.226 32.671 32.500 -0.092 0.000 0.714 275 K HN 0.326 nan 8.250 nan 0.000 0.440 276 K N 0.673 121.002 120.400 -0.118 0.000 2.020 276 K HA -0.151 4.171 4.320 0.003 0.000 0.212 276 K C 2.371 178.901 176.600 -0.118 0.000 1.050 276 K CA 1.395 57.622 56.287 -0.100 0.000 0.929 276 K CB -0.601 31.852 32.500 -0.077 0.000 0.714 276 K HN 0.038 nan 8.250 nan 0.000 0.443 277 S N 1.221 116.828 115.700 -0.156 0.000 2.383 277 S HA -0.084 4.388 4.470 0.003 0.000 0.227 277 S C 2.011 176.534 174.600 -0.127 0.000 1.026 277 S CA 0.861 58.973 58.200 -0.147 0.000 0.981 277 S CB -0.204 62.886 63.200 -0.183 0.000 0.818 277 S HN 0.324 nan 8.310 nan 0.000 0.472 278 L N 0.781 121.925 121.223 -0.131 0.000 2.042 278 L HA -0.065 4.277 4.340 0.003 0.000 0.210 278 L C 2.113 178.929 176.870 -0.089 0.000 1.076 278 L CA 1.692 56.470 54.840 -0.102 0.000 0.749 278 L CB -0.310 41.692 42.059 -0.095 0.000 0.893 278 L HN 0.386 nan 8.230 nan 0.000 0.432 279 I N -0.226 120.289 120.570 -0.092 0.000 2.315 279 I HA -0.264 3.907 4.170 0.003 0.000 0.248 279 I C 1.954 178.024 176.117 -0.078 0.000 1.117 279 I CA 1.091 62.343 61.300 -0.080 0.000 1.404 279 I CB -0.471 37.481 38.000 -0.080 0.000 1.071 279 I HN 0.295 nan 8.210 nan 0.000 0.419 280 D N 0.704 121.044 120.400 -0.099 0.000 2.144 280 D HA -0.146 4.496 4.640 0.003 0.000 0.199 280 D C 1.869 178.091 176.300 -0.131 0.000 0.984 280 D CA 1.128 55.048 54.000 -0.134 0.000 0.834 280 D CB -0.281 40.435 40.800 -0.140 0.000 0.955 280 D HN 0.373 nan 8.370 nan 0.000 0.465 281 N N -0.116 118.531 118.700 -0.088 0.000 2.349 281 N HA 0.041 4.783 4.740 0.003 0.000 0.180 281 N C 1.617 177.116 175.510 -0.019 0.000 1.024 281 N CA 0.790 53.807 53.050 -0.056 0.000 0.869 281 N CB 0.243 38.694 38.487 -0.060 0.000 1.022 281 N HN 0.059 nan 8.380 nan 0.000 0.433 282 A N 0.399 123.197 122.820 -0.038 0.000 2.030 282 A HA 0.222 4.544 4.320 0.003 0.000 0.215 282 A C 1.645 179.213 177.584 -0.027 0.000 1.164 282 A CA 0.495 52.507 52.037 -0.042 0.000 0.697 282 A CB 0.027 18.983 19.000 -0.073 0.000 0.827 282 A HN 0.152 nan 8.150 nan 0.000 0.457 283 L N -2.976 118.238 121.223 -0.014 0.000 2.959 283 L HA 0.284 4.626 4.340 0.003 0.000 0.259 283 L C 0.295 177.218 176.870 0.088 0.000 1.185 283 L CA -0.393 54.446 54.840 -0.002 0.000 0.998 283 L CB 0.102 42.133 42.059 -0.048 0.000 1.337 283 L HN 0.369 nan 8.230 nan 0.000 0.555 284 Y N 1.900 122.168 120.300 -0.053 0.000 3.396 284 Y HA -0.326 4.223 4.550 -0.002 0.000 0.214 284 Y C 1.387 177.274 175.900 -0.021 0.000 1.203 284 Y CA 0.721 58.801 58.100 -0.034 0.000 1.401 284 Y CB -1.209 37.238 38.460 -0.023 0.000 1.409 284 Y HN 0.459 nan 8.280 nan 0.000 0.594 285 G N -0.626 108.142 108.800 -0.054 0.000 2.168 285 G HA2 -0.398 3.564 3.960 0.003 0.000 0.257 285 G HA3 -0.398 3.564 3.960 0.003 0.000 0.257 285 G C 0.873 175.775 174.900 0.003 0.000 0.997 285 G CA 1.081 46.145 45.100 -0.060 0.000 0.708 285 G HN 1.295 nan 8.290 nan 0.000 0.520 286 T N -3.438 111.139 114.554 0.038 0.000 3.081 286 T HA 0.387 4.738 4.350 0.003 0.000 0.255 286 T C 0.972 175.672 174.700 -0.000 0.000 1.113 286 T CA 1.218 63.349 62.100 0.051 0.000 1.082 286 T CB 0.422 69.332 68.868 0.070 0.000 0.939 286 T HN 0.417 nan 8.240 nan 0.000 0.506 287 Q N 0.774 120.560 119.800 -0.024 0.000 2.486 287 Q HA 0.514 4.856 4.340 0.003 0.000 0.274 287 Q C -0.645 175.340 176.000 -0.025 0.000 1.076 287 Q CA -0.720 55.062 55.803 -0.035 0.000 0.872 287 Q CB 1.289 29.990 28.738 -0.061 0.000 1.383 287 Q HN 0.472 nan 8.270 nan 0.000 0.478 288 Q N 0.129 119.923 119.800 -0.011 0.000 2.266 288 Q HA 0.494 4.836 4.340 0.003 0.000 0.261 288 Q C -0.485 175.466 176.000 -0.082 0.000 0.985 288 Q CA -0.812 54.992 55.803 0.002 0.000 0.873 288 Q CB 1.972 30.770 28.738 0.100 0.000 1.306 288 Q HN 0.257 nan 8.270 nan 0.000 0.447 289 V N 1.469 121.331 119.914 -0.086 0.000 2.655 289 V HA 0.211 4.333 4.120 0.003 0.000 0.300 289 V C -0.006 175.893 176.094 -0.325 0.000 1.044 289 V CA 0.025 62.227 62.300 -0.162 0.000 1.095 289 V CB 0.787 32.558 31.823 -0.086 0.000 0.952 289 V HN 0.825 nan 8.190 nan 0.000 0.485 290 A N 3.494 125.987 122.820 -0.545 0.000 2.304 290 A HA 0.573 4.895 4.320 0.003 0.000 0.323 290 A C 0.388 177.779 177.584 -0.323 0.000 1.195 290 A CA -0.577 50.904 52.037 -0.927 0.000 0.826 290 A CB 0.601 18.839 19.000 -1.270 0.000 1.184 290 A HN 0.843 nan 8.150 nan 0.000 0.496 291 D N 0.788 121.137 120.400 -0.086 0.000 2.388 291 D HA 0.071 4.713 4.640 0.003 0.000 0.208 291 D C 0.487 176.867 176.300 0.133 0.000 1.035 291 D CA 1.540 55.565 54.000 0.041 0.000 0.875 291 D CB 0.624 41.478 40.800 0.090 0.000 0.984 291 D HN 0.681 nan 8.370 nan 0.000 0.508 292 T N -1.393 113.259 114.554 0.165 0.000 2.906 292 T HA 0.299 4.651 4.350 0.003 0.000 0.295 292 T C 0.961 175.720 174.700 0.099 0.000 1.061 292 T CA -0.782 61.419 62.100 0.169 0.000 1.000 292 T CB 2.401 71.318 68.868 0.082 0.000 1.103 292 T HN -0.193 nan 8.240 nan 0.000 0.486 293 L N 0.544 121.759 121.223 -0.014 0.000 2.021 293 L HA 0.167 4.509 4.340 0.003 0.000 0.215 293 L C -0.049 176.489 176.870 -0.554 0.000 1.074 293 L CA 1.759 56.375 54.840 -0.373 0.000 0.760 293 L CB -0.733 41.004 42.059 -0.536 0.000 0.889 293 L HN 0.712 nan 8.230 nan 0.000 0.433 294 F N -0.358 119.576 119.950 -0.026 0.000 2.469 294 F HA 0.612 5.140 4.527 0.003 0.000 0.332 294 F C 0.815 176.549 175.800 -0.109 0.000 1.103 294 F CA -0.809 57.140 58.000 -0.085 0.000 0.979 294 F CB 0.699 39.630 39.000 -0.116 0.000 1.137 294 F HN -0.002 nan 8.300 nan 0.000 0.463 295 A N 4.108 126.794 122.820 -0.225 0.000 2.507 295 A HA 0.182 4.504 4.320 0.003 0.000 0.235 295 A C -1.683 175.776 177.584 -0.210 0.000 1.070 295 A CA -0.897 50.787 52.037 -0.588 0.000 0.768 295 A CB -0.206 18.110 19.000 -1.139 0.000 1.011 295 A HN 0.637 nan 8.150 nan 0.000 0.502 296 P HA -0.159 nan 4.420 nan 0.000 0.219 296 P C 1.509 178.747 177.300 -0.103 0.000 1.146 296 P CA 1.906 64.956 63.100 -0.083 0.000 0.808 296 P CB 0.023 31.690 31.700 -0.055 0.000 0.779 297 S N -2.051 113.564 115.700 -0.141 0.000 2.515 297 S HA -0.002 4.470 4.470 0.003 0.000 0.231 297 S C 0.872 175.395 174.600 -0.128 0.000 0.987 297 S CA 0.049 58.174 58.200 -0.124 0.000 0.936 297 S CB -1.205 61.921 63.200 -0.124 0.000 0.766 297 S HN -0.124 nan 8.310 nan 0.000 0.528 298 V N 3.906 123.736 119.914 -0.140 0.000 2.637 298 V HA 0.235 4.357 4.120 0.003 0.000 0.296 298 V C -2.136 173.839 176.094 -0.199 0.000 1.046 298 V CA -1.777 60.426 62.300 -0.162 0.000 1.066 298 V CB 0.255 31.970 31.823 -0.180 0.000 0.968 298 V HN 0.231 nan 8.190 nan 0.000 0.483 299 P HA 0.021 nan 4.420 nan 0.000 0.262 299 P C -0.374 176.725 177.300 -0.335 0.000 1.182 299 P CA 0.602 63.492 63.100 -0.349 0.000 0.761 299 P CB -0.071 31.457 31.700 -0.287 0.000 0.795 300 Y N 0.683 120.849 120.300 -0.225 0.000 4.929 300 Y HA -0.288 4.264 4.550 0.003 0.000 0.253 300 Y C 1.419 177.216 175.900 -0.172 0.000 0.946 300 Y CA 1.086 59.039 58.100 -0.245 0.000 1.905 300 Y CB -2.577 35.527 38.460 -0.592 0.000 1.400 300 Y HN 0.477 nan 8.280 nan 0.000 0.531 301 A N -0.460 122.328 122.820 -0.054 0.000 2.431 301 A HA 0.197 4.518 4.320 0.003 0.000 0.239 301 A C 0.860 178.446 177.584 0.003 0.000 1.230 301 A CA 0.127 52.163 52.037 -0.002 0.000 0.928 301 A CB 0.003 18.999 19.000 -0.007 0.000 1.006 301 A HN 0.434 nan 8.150 nan 0.000 0.520 302 N N 1.355 120.044 118.700 -0.018 0.000 2.663 302 N HA 0.284 5.025 4.740 0.003 0.000 0.250 302 N C 0.016 175.529 175.510 0.005 0.000 1.129 302 N CA -0.091 52.949 53.050 -0.017 0.000 0.995 302 N CB 0.245 38.712 38.487 -0.033 0.000 1.324 302 N HN 0.373 nan 8.380 nan 0.000 0.512 303 L N 1.444 122.671 121.223 0.008 0.000 2.766 303 L HA 0.291 4.633 4.340 0.003 0.000 0.242 303 L C 1.354 178.226 176.870 0.004 0.000 1.136 303 L CA -0.045 54.806 54.840 0.018 0.000 0.933 303 L CB 0.309 42.387 42.059 0.031 0.000 1.241 303 L HN 0.570 nan 8.230 nan 0.000 0.522 304 G N 1.702 110.498 108.800 -0.007 0.000 2.249 304 G HA2 -0.287 3.674 3.960 0.003 0.000 0.273 304 G HA3 -0.287 3.674 3.960 0.003 0.000 0.273 304 G C 0.242 175.129 174.900 -0.021 0.000 1.036 304 G CA -0.030 45.066 45.100 -0.006 0.000 0.824 304 G HN 0.241 nan 8.290 nan 0.000 0.504 305 L N -0.458 120.718 121.223 -0.078 0.000 2.485 305 L HA 0.170 4.512 4.340 0.003 0.000 0.275 305 L C 1.287 178.110 176.870 -0.079 0.000 1.207 305 L CA 0.123 54.861 54.840 -0.169 0.000 0.855 305 L CB 0.565 42.306 42.059 -0.530 0.000 1.114 305 L HN 0.265 nan 8.230 nan 0.000 0.485 306 K N 5.574 126.003 120.400 0.049 0.000 2.349 306 K HA 0.228 4.550 4.320 0.003 0.000 0.289 306 K C -2.195 174.541 176.600 0.227 0.000 1.064 306 K CA -1.476 54.890 56.287 0.132 0.000 0.947 306 K CB 0.686 33.272 32.500 0.144 0.000 1.007 306 K HN 0.252 nan 8.250 nan 0.000 0.478 307 P HA 0.022 nan 4.420 nan 0.000 0.271 307 P C -1.023 176.326 177.300 0.081 0.000 1.218 307 P CA -0.297 62.883 63.100 0.134 0.000 0.780 307 P CB 1.061 32.816 31.700 0.091 0.000 0.901 308 S N 2.743 118.423 115.700 -0.034 0.000 2.415 308 S HA 0.163 4.635 4.470 0.003 0.000 0.313 308 S C 0.393 174.953 174.600 -0.067 0.000 1.067 308 S CA -0.573 57.489 58.200 -0.229 0.000 1.099 308 S CB 0.119 62.890 63.200 -0.714 0.000 0.991 308 S HN 0.326 nan 8.310 nan 0.000 0.491 309 Q N 1.335 121.213 119.800 0.131 0.000 2.407 309 Q HA 0.161 4.502 4.340 0.003 0.000 0.214 309 Q C -0.221 175.937 176.000 0.264 0.000 1.043 309 Q CA -0.404 55.502 55.803 0.172 0.000 0.983 309 Q CB 0.325 29.159 28.738 0.161 0.000 1.211 309 Q HN 0.685 nan 8.270 nan 0.000 0.564 310 Y N 1.681 122.036 120.300 0.092 0.000 2.650 310 Y HA 0.048 4.601 4.550 0.003 0.000 0.342 310 Y C -0.698 175.259 175.900 0.096 0.000 1.110 310 Y CA 0.112 58.264 58.100 0.086 0.000 1.438 310 Y CB 0.200 38.681 38.460 0.035 0.000 1.181 310 Y HN 0.381 nan 8.280 nan 0.000 0.526 311 D N 8.606 128.872 120.400 -0.225 0.000 2.584 311 D HA 0.231 4.873 4.640 0.003 0.000 0.238 311 D C -2.466 173.656 176.300 -0.296 0.000 1.302 311 D CA -1.639 52.170 54.000 -0.318 0.000 0.884 311 D CB 1.425 42.109 40.800 -0.193 0.000 1.456 311 D HN 0.262 nan 8.370 nan 0.000 0.528 312 P HA -0.114 nan 4.420 nan 0.000 0.220 312 P C 1.504 178.712 177.300 -0.153 0.000 1.148 312 P CA 0.860 63.844 63.100 -0.195 0.000 0.803 312 P CB 0.528 32.123 31.700 -0.174 0.000 0.782 313 Q N 0.083 119.773 119.800 -0.184 0.000 2.020 313 Q HA -0.146 4.196 4.340 0.003 0.000 0.202 313 Q C 2.068 177.964 176.000 -0.173 0.000 0.982 313 Q CA 1.512 57.226 55.803 -0.148 0.000 0.838 313 Q CB -0.719 27.937 28.738 -0.137 0.000 0.899 313 Q HN 0.336 nan 8.270 nan 0.000 0.423 314 K N 0.262 120.501 120.400 -0.269 0.000 2.074 314 K HA -0.149 4.173 4.320 0.003 0.000 0.209 314 K C 2.061 178.485 176.600 -0.294 0.000 1.048 314 K CA 1.264 57.318 56.287 -0.389 0.000 0.926 314 K CB -0.152 31.865 32.500 -0.805 0.000 0.713 314 K HN 0.166 nan 8.250 nan 0.000 0.444 315 A N 1.773 124.475 122.820 -0.196 0.000 1.858 315 A HA -0.219 4.103 4.320 0.003 0.000 0.216 315 A C 1.935 179.501 177.584 -0.030 0.000 1.190 315 A CA 1.695 53.713 52.037 -0.031 0.000 0.617 315 A CB -0.385 18.636 19.000 0.035 0.000 0.827 315 A HN 0.218 nan 8.150 nan 0.000 0.443 316 K N -0.447 119.926 120.400 -0.044 0.000 2.063 316 K HA -0.129 4.193 4.320 0.003 0.000 0.208 316 K C 2.280 178.872 176.600 -0.013 0.000 1.048 316 K CA 1.216 57.490 56.287 -0.022 0.000 0.928 316 K CB -0.335 32.149 32.500 -0.028 0.000 0.713 316 K HN 0.469 nan 8.250 nan 0.000 0.442 317 A N 1.252 124.047 122.820 -0.042 0.000 1.898 317 A HA -0.103 4.218 4.320 0.003 0.000 0.216 317 A C 2.113 179.690 177.584 -0.011 0.000 1.181 317 A CA 1.075 53.091 52.037 -0.035 0.000 0.620 317 A CB -0.516 18.444 19.000 -0.066 0.000 0.819 317 A HN 0.154 nan 8.150 nan 0.000 0.442 318 L N -0.929 120.285 121.223 -0.015 0.000 2.046 318 L HA -0.172 4.170 4.340 0.003 0.000 0.208 318 L C 2.401 179.311 176.870 0.067 0.000 1.077 318 L CA 0.668 55.523 54.840 0.025 0.000 0.747 318 L CB -0.348 41.737 42.059 0.043 0.000 0.896 318 L HN 0.288 nan 8.230 nan 0.000 0.432 319 L N -0.622 120.643 121.223 0.070 0.000 2.093 319 L HA -0.149 4.192 4.340 0.003 0.000 0.208 319 L C 2.647 179.631 176.870 0.190 0.000 1.085 319 L CA 1.577 56.501 54.840 0.142 0.000 0.755 319 L CB -1.060 41.050 42.059 0.085 0.000 0.904 319 L HN 0.239 nan 8.230 nan 0.000 0.435 320 E N -0.214 120.049 120.200 0.106 0.000 2.038 320 E HA -0.248 4.104 4.350 0.003 0.000 0.195 320 E C 2.176 178.811 176.600 0.059 0.000 1.000 320 E CA 0.964 57.409 56.400 0.076 0.000 0.803 320 E CB -0.083 29.640 29.700 0.037 0.000 0.750 320 E HN 0.196 nan 8.360 nan 0.000 0.448 321 K N 0.751 121.181 120.400 0.049 0.000 2.113 321 K HA -0.097 4.225 4.320 0.003 0.000 0.208 321 K C 1.746 178.374 176.600 0.047 0.000 1.047 321 K CA 1.325 57.633 56.287 0.036 0.000 0.928 321 K CB -0.467 32.051 32.500 0.031 0.000 0.716 321 K HN 0.137 nan 8.250 nan 0.000 0.446 322 A N -1.106 121.773 122.820 0.099 0.000 2.238 322 A HA 0.297 4.619 4.320 0.003 0.000 0.208 322 A C 1.274 178.869 177.584 0.018 0.000 1.177 322 A CA 0.906 53.017 52.037 0.123 0.000 0.804 322 A CB -0.320 18.848 19.000 0.279 0.000 0.823 322 A HN 0.366 nan 8.150 nan 0.000 0.482 323 G N -2.799 105.992 108.800 -0.016 0.000 2.141 323 G HA2 -0.246 3.716 3.960 0.003 0.000 0.231 323 G HA3 -0.246 3.716 3.960 0.003 0.000 0.231 323 G C -0.274 174.465 174.900 -0.268 0.000 0.984 323 G CA -0.051 44.955 45.100 -0.158 0.000 0.660 323 G HN 0.442 nan 8.290 nan 0.000 0.525 324 W N 2.035 123.329 121.300 -0.010 0.000 2.316 324 W HA 0.569 5.231 4.660 0.003 0.000 0.339 324 W C 0.920 177.433 176.519 -0.009 0.000 1.002 324 W CA 0.095 57.434 57.345 -0.009 0.000 1.465 324 W CB 0.813 30.268 29.460 -0.008 0.000 1.300 324 W HN 0.372 nan 8.180 nan 0.000 0.378 325 T N 0.109 114.745 114.554 0.137 0.000 2.918 325 T HA 0.650 5.002 4.350 0.003 0.000 0.286 325 T C -0.474 174.277 174.700 0.085 0.000 1.026 325 T CA -1.000 61.151 62.100 0.085 0.000 1.031 325 T CB 1.289 70.172 68.868 0.025 0.000 1.046 325 T HN 0.156 nan 8.240 nan 0.000 0.479 326 L N 3.306 124.566 121.223 0.063 0.000 2.361 326 L HA 0.361 4.703 4.340 0.003 0.000 0.278 326 L C -1.809 175.081 176.870 0.033 0.000 1.113 326 L CA -1.801 53.069 54.840 0.050 0.000 0.849 326 L CB 0.514 42.596 42.059 0.038 0.000 1.155 326 L HN 0.579 nan 8.230 nan 0.000 0.452 327 P HA 0.253 nan 4.420 nan 0.000 0.258 327 P C -0.364 176.946 177.300 0.018 0.000 1.647 327 P CA -0.431 62.680 63.100 0.019 0.000 1.099 327 P CB 0.984 32.694 31.700 0.017 0.000 1.604 328 A N 3.069 125.898 122.820 0.015 0.000 2.565 328 A HA 0.369 4.691 4.320 0.003 0.000 0.237 328 A C 1.163 178.753 177.584 0.009 0.000 1.053 328 A CA 0.435 52.479 52.037 0.012 0.000 0.755 328 A CB -0.204 18.802 19.000 0.009 0.000 0.980 328 A HN 0.538 nan 8.150 nan 0.000 0.506 329 G N 2.323 111.129 108.800 0.009 0.000 2.807 329 G HA2 0.491 4.453 3.960 0.003 0.000 0.316 329 G HA3 0.491 4.453 3.960 0.003 0.000 0.316 329 G C -0.144 174.764 174.900 0.013 0.000 0.900 329 G CA -0.353 44.754 45.100 0.010 0.000 1.499 329 G HN 0.683 nan 8.290 nan 0.000 0.484 330 K N 0.957 121.367 120.400 0.017 0.000 2.502 330 K HA 0.245 4.566 4.320 0.003 0.000 0.257 330 K C -0.506 176.107 176.600 0.023 0.000 0.938 330 K CA -0.770 55.529 56.287 0.021 0.000 0.819 330 K CB 2.290 34.806 32.500 0.026 0.000 1.333 330 K HN 0.352 nan 8.250 nan 0.000 0.434 331 D N 0.295 120.709 120.400 0.022 0.000 2.360 331 D HA 0.066 4.708 4.640 0.003 0.000 0.210 331 D C 0.264 176.579 176.300 0.026 0.000 1.047 331 D CA 0.135 54.148 54.000 0.021 0.000 0.854 331 D CB 0.411 41.220 40.800 0.016 0.000 0.936 331 D HN 0.131 nan 8.370 nan 0.000 0.514 332 I N 1.655 122.245 120.570 0.033 0.000 2.339 332 I HA 0.304 4.476 4.170 0.003 0.000 0.290 332 I C 0.626 176.787 176.117 0.074 0.000 0.994 332 I CA -1.026 60.299 61.300 0.040 0.000 1.191 332 I CB 1.082 39.103 38.000 0.034 0.000 1.343 332 I HN -0.141 nan 8.210 nan 0.000 0.458 333 R N 4.106 124.665 120.500 0.098 0.000 2.784 333 R HA 0.284 4.626 4.340 0.003 0.000 0.266 333 R C -0.245 176.225 176.300 0.284 0.000 1.044 333 R CA 0.009 56.219 56.100 0.183 0.000 1.151 333 R CB 0.721 31.161 30.300 0.233 0.000 1.037 333 R HN 0.561 nan 8.270 nan 0.000 0.478 334 E N 0.363 120.725 120.200 0.270 0.000 2.367 334 E HA 0.322 4.673 4.350 0.003 0.000 0.273 334 E C -1.319 175.251 176.600 -0.050 0.000 0.903 334 E CA -0.915 55.601 56.400 0.194 0.000 0.764 334 E CB 2.617 32.365 29.700 0.079 0.000 1.252 334 E HN 0.297 nan 8.360 nan 0.000 0.446 335 K N 1.866 122.060 120.400 -0.343 0.000 2.553 335 K HA 0.257 4.579 4.320 0.003 0.000 0.250 335 K C -1.179 175.171 176.600 -0.417 0.000 0.953 335 K CA -0.373 55.513 56.287 -0.668 0.000 0.800 335 K CB 0.738 32.218 32.500 -1.700 0.000 1.243 335 K HN 0.701 nan 8.250 nan 0.000 0.435 336 N N 3.205 121.741 118.700 -0.273 0.000 2.716 336 N HA -0.281 4.460 4.740 0.003 0.000 0.250 336 N C 0.545 175.991 175.510 -0.107 0.000 1.033 336 N CA 0.724 53.672 53.050 -0.169 0.000 0.727 336 N CB -0.858 37.528 38.487 -0.169 0.000 0.950 336 N HN 1.079 nan 8.380 nan 0.000 0.541 337 G N -1.712 107.039 108.800 -0.082 0.000 2.241 337 G HA2 -0.336 3.626 3.960 0.003 0.000 0.244 337 G HA3 -0.336 3.626 3.960 0.003 0.000 0.244 337 G C -0.135 174.762 174.900 -0.004 0.000 0.998 337 G CA 0.270 45.349 45.100 -0.036 0.000 0.621 337 G HN 0.372 nan 8.290 nan 0.000 0.519 338 Q N 1.392 121.193 119.800 0.002 0.000 2.256 338 Q HA 0.470 4.812 4.340 0.003 0.000 0.257 338 Q C -2.352 173.763 176.000 0.191 0.000 0.936 338 Q CA -1.817 54.037 55.803 0.085 0.000 0.903 338 Q CB 2.348 31.154 28.738 0.114 0.000 1.263 338 Q HN 0.354 nan 8.270 nan 0.000 0.440 339 P HA 0.108 nan 4.420 nan 0.000 0.274 339 P C -0.211 177.245 177.300 0.259 0.000 1.237 339 P CA -0.377 62.849 63.100 0.208 0.000 0.793 339 P CB 0.992 32.755 31.700 0.105 0.000 0.977 340 L N 2.544 123.865 121.223 0.163 0.000 2.395 340 L HA 0.191 4.533 4.340 0.003 0.000 0.268 340 L C 0.771 177.565 176.870 -0.126 0.000 1.223 340 L CA -0.142 54.586 54.840 -0.188 0.000 1.093 340 L CB -0.680 41.174 42.059 -0.343 0.000 1.349 340 L HN 0.366 nan 8.230 nan 0.000 0.427 341 R N 3.908 124.365 120.500 -0.071 0.000 2.387 341 R HA 0.649 4.991 4.340 0.003 0.000 0.314 341 R C -1.243 175.021 176.300 -0.060 0.000 0.958 341 R CA -0.510 55.563 56.100 -0.045 0.000 0.846 341 R CB 1.296 31.596 30.300 0.000 0.000 1.147 341 R HN 0.441 nan 8.270 nan 0.000 0.447 342 I N 2.996 123.531 120.570 -0.060 0.000 2.466 342 I HA 0.250 4.422 4.170 0.003 0.000 0.289 342 I C -0.410 175.695 176.117 -0.020 0.000 1.026 342 I CA -0.671 60.596 61.300 -0.055 0.000 1.078 342 I CB 2.251 40.198 38.000 -0.088 0.000 1.249 342 I HN 0.484 nan 8.210 nan 0.000 0.429 343 E N 5.347 125.548 120.200 0.002 0.000 2.259 343 E HA 0.319 4.670 4.350 0.003 0.000 0.281 343 E C -0.999 175.629 176.600 0.046 0.000 1.037 343 E CA -0.716 55.703 56.400 0.032 0.000 0.854 343 E CB 1.814 31.538 29.700 0.039 0.000 1.051 343 E HN 0.246 nan 8.360 nan 0.000 0.409 344 L N 3.523 124.786 121.223 0.067 0.000 2.283 344 L HA 0.207 4.548 4.340 0.003 0.000 0.281 344 L C -0.561 176.440 176.870 0.218 0.000 1.033 344 L CA -0.404 54.481 54.840 0.076 0.000 0.848 344 L CB 0.865 42.930 42.059 0.010 0.000 1.226 344 L HN 0.402 nan 8.230 nan 0.000 0.429 345 S N 4.489 120.285 115.700 0.160 0.000 2.508 345 S HA 0.849 5.320 4.470 0.003 0.000 0.284 345 S C -0.434 174.320 174.600 0.257 0.000 1.192 345 S CA -0.554 57.727 58.200 0.136 0.000 1.070 345 S CB 0.896 64.135 63.200 0.065 0.000 1.004 345 S HN 0.539 nan 8.310 nan 0.000 0.493 346 F N -0.813 119.194 119.950 0.096 0.000 2.685 346 F HA 0.654 5.183 4.527 0.004 0.000 0.315 346 F C -1.188 174.663 175.800 0.087 0.000 1.126 346 F CA -1.868 56.227 58.000 0.159 0.000 0.950 346 F CB 0.597 39.788 39.000 0.318 0.000 1.360 346 F HN 0.432 nan 8.300 nan 0.000 0.469 347 I N 2.366 123.053 120.570 0.196 0.000 2.494 347 I HA 0.195 4.367 4.170 0.003 0.000 0.289 347 I C 1.448 177.606 176.117 0.068 0.000 1.106 347 I CA 0.341 61.674 61.300 0.056 0.000 1.369 347 I CB 0.786 38.828 38.000 0.070 0.000 1.410 347 I HN 1.015 nan 8.210 nan 0.000 0.523 348 G N 3.838 112.566 108.800 -0.120 0.000 2.432 348 G HA2 -0.219 3.743 3.960 0.003 0.000 0.219 348 G HA3 -0.219 3.743 3.960 0.003 0.000 0.219 348 G C 1.386 176.321 174.900 0.059 0.000 1.135 348 G CA 1.155 46.188 45.100 -0.112 0.000 0.767 348 G HN 0.661 nan 8.290 nan 0.000 0.550 349 T N -2.244 112.328 114.554 0.029 0.000 3.107 349 T HA 0.148 4.500 4.350 0.003 0.000 0.249 349 T C 0.394 175.108 174.700 0.023 0.000 1.096 349 T CA 0.120 62.235 62.100 0.024 0.000 1.012 349 T CB 0.271 69.138 68.868 -0.001 0.000 0.977 349 T HN 0.135 nan 8.240 nan 0.000 0.527 350 D N 1.145 121.574 120.400 0.049 0.000 2.374 350 D HA 0.575 5.216 4.640 0.003 0.000 0.240 350 D C 1.337 177.633 176.300 -0.006 0.000 1.229 350 D CA -0.005 53.998 54.000 0.005 0.000 0.895 350 D CB 0.749 41.547 40.800 -0.003 0.000 1.046 350 D HN 0.183 nan 8.370 nan 0.000 0.498 351 A N 3.791 126.588 122.820 -0.039 0.000 1.933 351 A HA -0.156 4.166 4.320 0.003 0.000 0.218 351 A C 1.825 179.347 177.584 -0.103 0.000 1.175 351 A CA 0.799 52.806 52.037 -0.050 0.000 0.628 351 A CB -0.411 18.557 19.000 -0.053 0.000 0.814 351 A HN 0.617 nan 8.150 nan 0.000 0.444 352 L N -0.276 120.860 121.223 -0.146 0.000 2.072 352 L HA -0.032 4.310 4.340 0.003 0.000 0.205 352 L C 2.587 179.258 176.870 -0.332 0.000 1.079 352 L CA 2.326 57.042 54.840 -0.206 0.000 0.752 352 L CB -0.789 41.144 42.059 -0.209 0.000 0.906 352 L HN 0.300 nan 8.230 nan 0.000 0.436 353 S N -0.360 115.096 115.700 -0.408 0.000 2.359 353 S HA -0.262 4.210 4.470 0.003 0.000 0.224 353 S C 1.962 176.199 174.600 -0.605 0.000 1.035 353 S CA 1.716 59.484 58.200 -0.720 0.000 1.018 353 S CB -0.332 62.608 63.200 -0.434 0.000 0.876 353 S HN 0.444 nan 8.310 nan 0.000 0.448 354 K N 1.285 121.481 120.400 -0.340 0.000 2.026 354 K HA -0.136 4.186 4.320 0.003 0.000 0.208 354 K C 2.382 178.833 176.600 -0.249 0.000 1.048 354 K CA 1.727 57.826 56.287 -0.312 0.000 0.929 354 K CB -0.311 32.220 32.500 0.052 0.000 0.713 354 K HN 0.466 nan 8.250 nan 0.000 0.439 355 S N 0.475 116.069 115.700 -0.177 0.000 2.368 355 S HA -0.143 4.329 4.470 0.003 0.000 0.224 355 S C 2.119 176.645 174.600 -0.123 0.000 1.029 355 S CA 1.098 59.225 58.200 -0.122 0.000 0.988 355 S CB -0.303 62.841 63.200 -0.094 0.000 0.838 355 S HN 0.306 nan 8.310 nan 0.000 0.462 356 M N 1.510 121.014 119.600 -0.159 0.000 2.159 356 M HA 0.004 4.486 4.480 0.003 0.000 0.263 356 M C 2.734 179.048 176.300 0.023 0.000 1.063 356 M CA 1.505 56.765 55.300 -0.065 0.000 1.110 356 M CB -0.723 31.830 32.600 -0.078 0.000 1.374 356 M HN 0.586 nan 8.290 nan 0.000 0.411 357 A N 0.398 123.196 122.820 -0.038 0.000 1.902 357 A HA -0.187 4.135 4.320 0.003 0.000 0.217 357 A C 1.867 179.391 177.584 -0.101 0.000 1.181 357 A CA 1.783 53.754 52.037 -0.109 0.000 0.623 357 A CB -0.663 17.996 19.000 -0.568 0.000 0.818 357 A HN 0.540 nan 8.150 nan 0.000 0.443 358 E N -0.335 119.804 120.200 -0.103 0.000 2.077 358 E HA -0.151 4.201 4.350 0.003 0.000 0.193 358 E C 1.859 178.436 176.600 -0.038 0.000 0.989 358 E CA 1.272 57.642 56.400 -0.050 0.000 0.800 358 E CB -0.297 29.381 29.700 -0.038 0.000 0.746 358 E HN 0.704 nan 8.360 nan 0.000 0.452 359 I N 0.847 121.390 120.570 -0.045 0.000 2.202 359 I HA -0.268 3.903 4.170 0.003 0.000 0.242 359 I C 2.321 178.414 176.117 -0.040 0.000 1.091 359 I CA 1.002 62.276 61.300 -0.043 0.000 1.368 359 I CB -0.181 37.787 38.000 -0.053 0.000 1.058 359 I HN 0.088 nan 8.210 nan 0.000 0.410 360 I N 0.314 120.861 120.570 -0.037 0.000 2.151 360 I HA -0.384 3.788 4.170 0.003 0.000 0.243 360 I C 2.726 178.820 176.117 -0.039 0.000 1.080 360 I CA 1.631 62.905 61.300 -0.043 0.000 1.339 360 I CB -0.454 37.508 38.000 -0.063 0.000 1.039 360 I HN 0.354 nan 8.210 nan 0.000 0.409 361 Q N 0.887 120.666 119.800 -0.035 0.000 2.077 361 Q HA -0.286 4.056 4.340 0.003 0.000 0.206 361 Q C 2.298 178.290 176.000 -0.013 0.000 0.989 361 Q CA 2.317 58.108 55.803 -0.021 0.000 0.853 361 Q CB -0.157 28.577 28.738 -0.007 0.000 0.907 361 Q HN 0.575 nan 8.270 nan 0.000 0.418 362 A N 0.815 123.627 122.820 -0.013 0.000 1.877 362 A HA -0.211 4.111 4.320 0.003 0.000 0.216 362 A C 1.699 179.285 177.584 0.002 0.000 1.186 362 A CA 1.766 53.800 52.037 -0.006 0.000 0.620 362 A CB -0.646 18.347 19.000 -0.011 0.000 0.822 362 A HN 0.479 nan 8.150 nan 0.000 0.443 363 D N -0.355 120.044 120.400 -0.002 0.000 2.097 363 D HA -0.142 4.500 4.640 0.003 0.000 0.195 363 D C 1.957 178.279 176.300 0.037 0.000 0.989 363 D CA 1.477 55.493 54.000 0.026 0.000 0.827 363 D CB -0.353 40.454 40.800 0.011 0.000 0.966 363 D HN 0.477 nan 8.370 nan 0.000 0.456 364 M N -0.250 119.355 119.600 0.007 0.000 2.394 364 M HA -0.032 4.450 4.480 0.003 0.000 0.264 364 M C 2.154 178.449 176.300 -0.008 0.000 1.073 364 M CA 0.571 55.868 55.300 -0.006 0.000 1.111 364 M CB 0.087 32.667 32.600 -0.034 0.000 1.401 364 M HN -0.109 nan 8.290 nan 0.000 0.448 365 R N 0.389 120.888 120.500 -0.002 0.000 2.120 365 R HA -0.154 4.188 4.340 0.003 0.000 0.234 365 R C 1.841 178.146 176.300 0.008 0.000 1.123 365 R CA 1.202 57.302 56.100 0.001 0.000 0.975 365 R CB 0.075 30.378 30.300 0.004 0.000 0.866 365 R HN 0.355 nan 8.270 nan 0.000 0.446 366 Q N 0.359 120.171 119.800 0.020 0.000 2.291 366 Q HA -0.115 4.227 4.340 0.003 0.000 0.205 366 Q C 1.817 177.827 176.000 0.016 0.000 0.970 366 Q CA 1.088 56.907 55.803 0.026 0.000 0.876 366 Q CB -0.045 28.724 28.738 0.050 0.000 0.935 366 Q HN 0.624 nan 8.270 nan 0.000 0.455 367 I N -4.768 115.808 120.570 0.010 0.000 3.941 367 I HA 0.464 4.635 4.170 0.003 0.000 0.335 367 I C 0.803 176.916 176.117 -0.007 0.000 1.402 367 I CA 0.384 61.683 61.300 -0.001 0.000 1.112 367 I CB 0.243 38.241 38.000 -0.004 0.000 1.043 367 I HN 0.077 nan 8.210 nan 0.000 0.395 368 G N 1.533 110.331 108.800 -0.004 0.000 2.136 368 G HA2 -0.192 3.770 3.960 0.003 0.000 0.242 368 G HA3 -0.192 3.770 3.960 0.003 0.000 0.242 368 G C 0.264 175.147 174.900 -0.027 0.000 0.989 368 G CA -0.015 45.085 45.100 -0.001 0.000 0.682 368 G HN 0.952 nan 8.290 nan 0.000 0.522 369 A N -0.046 122.742 122.820 -0.054 0.000 2.290 369 A HA 0.614 4.936 4.320 0.003 0.000 0.310 369 A C -0.193 177.358 177.584 -0.056 0.000 1.202 369 A CA -0.120 51.862 52.037 -0.092 0.000 0.837 369 A CB 0.852 19.776 19.000 -0.127 0.000 1.139 369 A HN 0.229 nan 8.150 nan 0.000 0.509 370 D N 2.698 123.066 120.400 -0.052 0.000 2.428 370 D HA 0.379 5.020 4.640 0.003 0.000 0.221 370 D C -0.568 175.714 176.300 -0.030 0.000 1.123 370 D CA 0.130 54.114 54.000 -0.026 0.000 0.869 370 D CB 0.905 41.700 40.800 -0.008 0.000 1.032 370 D HN 0.149 nan 8.370 nan 0.000 0.506 371 V N 3.224 123.124 119.914 -0.023 0.000 2.461 371 V HA 0.240 4.362 4.120 0.003 0.000 0.275 371 V C 0.427 176.529 176.094 0.013 0.000 1.047 371 V CA -0.511 61.779 62.300 -0.017 0.000 0.955 371 V CB 1.423 33.230 31.823 -0.027 0.000 0.988 371 V HN 0.483 nan 8.190 nan 0.000 0.471 372 S N 6.301 122.016 115.700 0.025 0.000 2.438 372 S HA 0.472 4.944 4.470 0.003 0.000 0.293 372 S C -0.392 174.267 174.600 0.098 0.000 1.141 372 S CA -0.596 57.633 58.200 0.049 0.000 1.080 372 S CB 0.859 64.080 63.200 0.036 0.000 0.978 372 S HN 0.400 nan 8.310 nan 0.000 0.479 373 L N 4.764 126.072 121.223 0.141 0.000 2.342 373 L HA 0.315 4.657 4.340 0.003 0.000 0.285 373 L C -0.277 176.709 176.870 0.194 0.000 1.095 373 L CA 0.007 55.026 54.840 0.299 0.000 0.843 373 L CB -0.114 42.149 42.059 0.340 0.000 1.201 373 L HN 0.561 nan 8.230 nan 0.000 0.445 374 I N 3.675 124.318 120.570 0.122 0.000 2.361 374 I HA 0.289 4.461 4.170 0.003 0.000 0.282 374 I C 0.959 176.798 176.117 -0.464 0.000 1.075 374 I CA -0.399 60.846 61.300 -0.092 0.000 1.205 374 I CB 0.679 38.662 38.000 -0.029 0.000 1.406 374 I HN 0.530 nan 8.210 nan 0.000 0.481 375 G N 5.515 113.936 108.800 -0.632 0.000 2.349 375 G HA2 0.516 4.478 3.960 0.003 0.000 0.281 375 G HA3 0.516 4.478 3.960 0.003 0.000 0.281 375 G C -0.128 174.521 174.900 -0.419 0.000 1.182 375 G CA -0.165 44.380 45.100 -0.926 0.000 0.899 375 G HN 0.596 nan 8.290 nan 0.000 0.455 376 E N 0.957 120.947 120.200 -0.350 0.000 2.445 376 E HA 0.231 4.583 4.350 0.003 0.000 0.273 376 E C -0.591 175.945 176.600 -0.108 0.000 0.961 376 E CA -0.932 55.367 56.400 -0.167 0.000 0.807 376 E CB 1.770 31.402 29.700 -0.113 0.000 1.362 376 E HN 0.431 nan 8.360 nan 0.000 0.453 377 E N 1.281 121.445 120.200 -0.059 0.000 2.404 377 E HA -0.059 4.293 4.350 0.003 0.000 0.261 377 E C 0.612 177.206 176.600 -0.011 0.000 1.074 377 E CA 0.269 56.650 56.400 -0.032 0.000 0.917 377 E CB 0.867 30.554 29.700 -0.022 0.000 0.965 377 E HN 0.643 nan 8.360 nan 0.000 0.433 378 E N 1.519 121.718 120.200 -0.001 0.000 2.097 378 E HA -0.247 4.105 4.350 0.003 0.000 0.196 378 E C 1.766 178.396 176.600 0.051 0.000 1.000 378 E CA 1.932 58.346 56.400 0.023 0.000 0.804 378 E CB 0.097 29.803 29.700 0.009 0.000 0.740 378 E HN 0.533 nan 8.360 nan 0.000 0.454 379 S N -0.390 115.326 115.700 0.026 0.000 2.402 379 S HA -0.144 4.328 4.470 0.003 0.000 0.229 379 S C 2.149 176.813 174.600 0.107 0.000 1.021 379 S CA 1.323 59.548 58.200 0.042 0.000 0.974 379 S CB -0.218 62.976 63.200 -0.010 0.000 0.800 379 S HN 0.196 nan 8.310 nan 0.000 0.484 380 S N 1.055 116.792 115.700 0.062 0.000 2.383 380 S HA 0.020 4.492 4.470 0.003 0.000 0.227 380 S C 1.822 176.463 174.600 0.068 0.000 1.026 380 S CA 0.933 59.167 58.200 0.056 0.000 0.981 380 S CB -0.507 62.703 63.200 0.016 0.000 0.818 380 S HN 0.464 nan 8.310 nan 0.000 0.472 381 I N 0.991 121.598 120.570 0.063 0.000 2.179 381 I HA -0.110 4.062 4.170 0.003 0.000 0.242 381 I C 2.150 178.310 176.117 0.071 0.000 1.088 381 I CA 1.364 62.697 61.300 0.056 0.000 1.357 381 I CB -1.732 36.300 38.000 0.053 0.000 1.051 381 I HN 0.456 nan 8.210 nan 0.000 0.409 382 Y N 2.230 122.525 120.300 -0.008 0.000 2.114 382 Y HA -0.323 4.229 4.550 0.003 0.000 0.282 382 Y C 2.606 178.505 175.900 -0.002 0.000 1.165 382 Y CA 2.433 60.523 58.100 -0.017 0.000 1.148 382 Y CB -0.322 38.122 38.460 -0.027 0.000 0.972 382 Y HN 0.123 nan 8.280 nan 0.000 0.504 383 A N 0.626 123.519 122.820 0.122 0.000 1.902 383 A HA -0.176 4.146 4.320 0.003 0.000 0.217 383 A C 2.295 179.873 177.584 -0.011 0.000 1.181 383 A CA 1.734 53.796 52.037 0.042 0.000 0.623 383 A CB -0.660 18.412 19.000 0.121 0.000 0.818 383 A HN 0.572 nan 8.150 nan 0.000 0.443 384 R N -0.631 119.891 120.500 0.038 0.000 2.083 384 R HA -0.181 4.161 4.340 0.003 0.000 0.237 384 R C 2.526 178.935 176.300 0.181 0.000 1.137 384 R CA 1.797 57.962 56.100 0.109 0.000 0.951 384 R CB -0.441 29.941 30.300 0.136 0.000 0.851 384 R HN 0.679 nan 8.270 nan 0.000 0.434 385 Q N 0.082 119.911 119.800 0.049 0.000 2.061 385 Q HA -0.183 4.158 4.340 0.003 0.000 0.204 385 Q C 2.252 178.274 176.000 0.036 0.000 0.984 385 Q CA 1.475 57.287 55.803 0.016 0.000 0.846 385 Q CB -0.128 28.498 28.738 -0.187 0.000 0.902 385 Q HN 0.311 nan 8.270 nan 0.000 0.421 386 R N 0.297 120.703 120.500 -0.157 0.000 2.081 386 R HA -0.135 4.207 4.340 0.003 0.000 0.235 386 R C 1.279 177.577 176.300 -0.004 0.000 1.131 386 R CA 1.434 57.450 56.100 -0.141 0.000 0.960 386 R CB 0.011 30.149 30.300 -0.271 0.000 0.856 386 R HN 0.274 nan 8.270 nan 0.000 0.436 387 D N -1.547 118.861 120.400 0.015 0.000 2.354 387 D HA 0.078 4.720 4.640 0.003 0.000 0.209 387 D C 0.932 177.238 176.300 0.010 0.000 1.015 387 D CA 0.838 54.850 54.000 0.021 0.000 0.867 387 D CB 0.607 41.416 40.800 0.014 0.000 0.933 387 D HN 0.412 nan 8.370 nan 0.000 0.520 388 G N 1.630 110.450 108.800 0.032 0.000 2.160 388 G HA2 -0.357 3.605 3.960 0.003 0.000 0.251 388 G HA3 -0.357 3.605 3.960 0.003 0.000 0.251 388 G C 0.416 175.123 174.900 -0.321 0.000 1.008 388 G CA -0.289 44.694 45.100 -0.194 0.000 0.724 388 G HN 0.302 nan 8.290 nan 0.000 0.514 389 R N 0.015 120.477 120.500 -0.064 0.000 4.138 389 R HA 0.505 4.846 4.340 0.003 0.000 0.206 389 R C -0.083 176.268 176.300 0.085 0.000 1.667 389 R CA 0.155 56.233 56.100 -0.037 0.000 1.481 389 R CB -0.429 29.881 30.300 0.017 0.000 1.388 389 R HN 0.559 nan 8.270 nan 0.000 0.776 390 F N -4.111 115.819 119.950 -0.034 0.000 2.693 390 F HA 0.563 5.092 4.527 0.003 0.000 0.309 390 F C 0.511 176.283 175.800 -0.047 0.000 1.129 390 F CA -1.295 56.684 58.000 -0.036 0.000 0.948 390 F CB 0.630 39.607 39.000 -0.038 0.000 1.315 390 F HN 0.003 nan 8.300 nan 0.000 0.447 391 G N 0.891 109.803 108.800 0.188 0.000 2.524 391 G HA2 0.344 4.306 3.960 0.003 0.000 0.210 391 G HA3 0.344 4.306 3.960 0.003 0.000 0.210 391 G C -0.097 174.923 174.900 0.201 0.000 1.187 391 G CA -0.010 45.143 45.100 0.089 0.000 0.825 391 G HN 0.494 nan 8.290 nan 0.000 0.558 392 M N 0.547 120.248 119.600 0.168 0.000 2.518 392 M HA 0.563 5.045 4.480 0.003 0.000 0.300 392 M C -1.316 174.940 176.300 -0.073 0.000 1.175 392 M CA -0.674 54.655 55.300 0.048 0.000 0.890 392 M CB 2.903 35.451 32.600 -0.086 0.000 1.710 392 M HN 0.253 nan 8.290 nan 0.000 0.453 393 I N -2.096 118.327 120.570 -0.245 0.000 2.865 393 I HA 0.633 4.805 4.170 0.003 0.000 0.302 393 I C -1.228 174.743 176.117 -0.243 0.000 1.140 393 I CA -0.906 60.214 61.300 -0.300 0.000 1.021 393 I CB 1.838 39.512 38.000 -0.544 0.000 1.233 393 I HN 0.443 nan 8.210 nan 0.000 0.427 394 F N 2.266 122.208 119.950 -0.013 0.000 2.459 394 F HA 0.472 5.001 4.527 0.003 0.000 0.346 394 F C 0.376 176.241 175.800 0.108 0.000 1.128 394 F CA 0.777 58.795 58.000 0.029 0.000 1.268 394 F CB 0.496 39.505 39.000 0.016 0.000 1.161 394 F HN 0.581 nan 8.300 nan 0.000 0.583 395 H N 1.286 120.464 119.070 0.181 0.000 3.017 395 H HA 0.634 5.192 4.556 0.003 0.000 0.346 395 H C -1.304 174.082 175.328 0.096 0.000 1.286 395 H CA -1.270 54.855 56.048 0.128 0.000 1.120 395 H CB 1.606 31.445 29.762 0.128 0.000 1.860 395 H HN 0.631 nan 8.280 nan 0.000 0.542 396 R N 0.254 120.540 120.500 -0.357 0.000 2.774 396 R HA 0.603 4.945 4.340 0.003 0.000 0.272 396 R C -0.840 175.221 176.300 -0.397 0.000 1.000 396 R CA -0.609 55.331 56.100 -0.266 0.000 0.906 396 R CB 1.379 31.624 30.300 -0.092 0.000 1.227 396 R HN 0.693 nan 8.270 nan 0.000 0.468 397 T N -2.317 111.950 114.554 -0.478 0.000 2.833 397 T HA 0.277 4.629 4.350 0.003 0.000 0.292 397 T C -0.011 174.675 174.700 -0.023 0.000 1.031 397 T CA -0.504 61.148 62.100 -0.747 0.000 0.937 397 T CB 0.540 68.872 68.868 -0.892 0.000 1.256 397 T HN 0.694 nan 8.240 nan 0.000 0.551 398 W N 0.168 121.402 121.300 -0.111 0.000 2.998 398 W HA 0.516 5.178 4.660 0.002 0.000 0.336 398 W C 1.291 177.844 176.519 0.057 0.000 1.112 398 W CA -0.020 57.283 57.345 -0.069 0.000 1.682 398 W CB -1.238 28.141 29.460 -0.136 0.000 1.065 398 W HN 1.393 nan 8.180 nan 0.000 0.570 399 G N 1.245 110.215 108.800 0.283 0.000 2.855 399 G HA2 0.084 4.046 3.960 0.003 0.000 0.352 399 G HA3 0.084 4.046 3.960 0.003 0.000 0.352 399 G C 0.014 175.082 174.900 0.281 0.000 1.415 399 G CA -0.587 44.649 45.100 0.228 0.000 0.871 399 G HN 0.465 nan 8.290 nan 0.000 0.543 400 A N 0.523 123.444 122.820 0.168 0.000 2.425 400 A HA 0.674 4.996 4.320 0.003 0.000 0.249 400 A C -0.534 176.985 177.584 -0.110 0.000 1.084 400 A CA -0.063 52.013 52.037 0.065 0.000 0.781 400 A CB 0.562 19.654 19.000 0.154 0.000 1.019 400 A HN 0.757 nan 8.150 nan 0.000 0.490 401 P HA 0.112 nan 4.420 nan 0.000 0.261 401 P C 0.190 177.414 177.300 -0.126 0.000 1.352 401 P CA 0.432 63.247 63.100 -0.474 0.000 0.891 401 P CB -0.088 31.037 31.700 -0.958 0.000 1.383 402 Y N 0.210 120.569 120.300 0.098 0.000 2.242 402 Y HA -0.065 4.487 4.550 0.003 0.000 0.291 402 Y C 0.914 176.912 175.900 0.164 0.000 1.137 402 Y CA 0.746 58.980 58.100 0.224 0.000 1.181 402 Y CB -0.620 38.135 38.460 0.491 0.000 0.989 402 Y HN -0.049 nan 8.280 nan 0.000 0.527 403 D N 0.960 121.520 120.400 0.268 0.000 2.249 403 D HA 0.108 4.749 4.640 0.003 0.000 0.246 403 D C -1.623 174.586 176.300 -0.151 0.000 1.114 403 D CA -1.816 52.190 54.000 0.010 0.000 0.854 403 D CB 1.249 42.057 40.800 0.013 0.000 1.132 403 D HN 0.123 nan 8.370 nan 0.000 0.461 404 P HA -0.035 nan 4.420 nan 0.000 0.252 404 P C 1.187 178.521 177.300 0.058 0.000 1.211 404 P CA 0.428 63.198 63.100 -0.550 0.000 0.824 404 P CB 0.293 31.457 31.700 -0.893 0.000 1.077 405 H N 1.007 120.166 119.070 0.147 0.000 2.353 405 H HA 0.052 4.609 4.556 0.003 0.000 0.300 405 H C 1.519 177.043 175.328 0.325 0.000 1.090 405 H CA 1.783 58.019 56.048 0.313 0.000 1.327 405 H CB -0.813 29.118 29.762 0.282 0.000 1.383 405 H HN 0.012 nan 8.280 nan 0.000 0.508 406 A N 0.769 123.272 122.820 -0.529 0.000 1.930 406 A HA -0.029 4.293 4.320 0.003 0.000 0.215 406 A C 2.398 180.154 177.584 0.286 0.000 1.176 406 A CA 0.696 52.708 52.037 -0.042 0.000 0.632 406 A CB -1.151 18.011 19.000 0.271 0.000 0.819 406 A HN 0.422 nan 8.150 nan 0.000 0.445 407 F N 0.798 120.747 119.950 -0.001 0.000 2.134 407 F HA -0.164 4.366 4.527 0.004 0.000 0.299 407 F C 1.951 177.694 175.800 -0.095 0.000 1.097 407 F CA 1.674 59.412 58.000 -0.435 0.000 1.264 407 F CB -0.088 38.697 39.000 -0.359 0.000 1.001 407 F HN 0.130 nan 8.300 nan 0.000 0.479 408 L N -1.035 120.330 121.223 0.236 0.000 2.017 408 L HA -0.237 4.104 4.340 0.003 0.000 0.208 408 L C 2.734 179.685 176.870 0.136 0.000 1.073 408 L CA 1.593 56.564 54.840 0.219 0.000 0.745 408 L CB -1.230 41.032 42.059 0.338 0.000 0.894 408 L HN 0.191 nan 8.230 nan 0.000 0.432 409 S N 0.078 115.883 115.700 0.175 0.000 2.374 409 S HA -0.235 4.237 4.470 0.003 0.000 0.227 409 S C 2.220 176.914 174.600 0.156 0.000 1.037 409 S CA 2.012 60.320 58.200 0.180 0.000 1.024 409 S CB -0.250 63.086 63.200 0.225 0.000 0.861 409 S HN 0.617 nan 8.310 nan 0.000 0.456 410 S N 0.689 116.490 115.700 0.167 0.000 2.453 410 S HA 0.026 4.498 4.470 0.003 0.000 0.231 410 S C 1.852 176.489 174.600 0.060 0.000 1.005 410 S CA 0.958 59.271 58.200 0.187 0.000 0.949 410 S CB -0.616 62.829 63.200 0.407 0.000 0.774 410 S HN 0.609 nan 8.310 nan 0.000 0.510 411 M N 0.895 120.493 119.600 -0.003 0.000 2.346 411 M HA -0.046 4.436 4.480 0.003 0.000 0.263 411 M C 2.200 178.632 176.300 0.220 0.000 1.064 411 M CA 1.295 56.639 55.300 0.072 0.000 1.083 411 M CB -0.397 32.242 32.600 0.065 0.000 1.399 411 M HN 0.336 nan 8.290 nan 0.000 0.435 412 R N -0.348 120.256 120.500 0.172 0.000 2.276 412 R HA 0.124 4.466 4.340 0.003 0.000 0.196 412 R C 0.123 176.470 176.300 0.078 0.000 0.961 412 R CA 0.111 56.340 56.100 0.216 0.000 1.024 412 R CB 0.079 30.451 30.300 0.119 0.000 0.940 412 R HN 0.139 nan 8.270 nan 0.000 0.480 413 V N 3.951 123.802 119.914 -0.105 0.000 2.408 413 V HA 0.156 4.278 4.120 0.003 0.000 0.267 413 V C -2.096 173.531 176.094 -0.778 0.000 1.047 413 V CA -2.027 60.017 62.300 -0.427 0.000 0.937 413 V CB 0.981 32.470 31.823 -0.557 0.000 0.999 413 V HN -0.047 nan 8.190 nan 0.000 0.472 414 P HA 0.131 nan 4.420 nan 0.000 0.269 414 P C 0.579 177.610 177.300 -0.448 0.000 1.217 414 P CA 0.337 62.620 63.100 -1.362 0.000 0.783 414 P CB 0.478 31.675 31.700 -0.839 0.000 0.898 415 S N -1.935 113.669 115.700 -0.161 0.000 3.361 415 S HA -0.168 4.304 4.470 0.003 0.000 0.288 415 S C 0.095 174.838 174.600 0.238 0.000 1.269 415 S CA 0.894 59.128 58.200 0.057 0.000 0.976 415 S CB -2.259 60.962 63.200 0.035 0.000 1.162 415 S HN 0.631 nan 8.310 nan 0.000 0.643 416 H N -0.841 118.208 119.070 -0.035 0.000 2.621 416 H HA 0.778 5.336 4.556 0.003 0.000 0.360 416 H C 0.991 176.366 175.328 0.079 0.000 1.163 416 H CA -0.114 55.938 56.048 0.006 0.000 1.194 416 H CB 0.888 30.668 29.762 0.030 0.000 1.649 416 H HN 0.111 nan 8.280 nan 0.000 0.532 417 A N 1.349 124.225 122.820 0.093 0.000 1.908 417 A HA -0.194 4.128 4.320 0.003 0.000 0.218 417 A C 1.667 179.302 177.584 0.087 0.000 1.181 417 A CA 2.105 54.153 52.037 0.018 0.000 0.627 417 A CB -0.329 18.484 19.000 -0.312 0.000 0.818 417 A HN 0.797 nan 8.150 nan 0.000 0.445 418 D N -1.473 118.973 120.400 0.076 0.000 2.117 418 D HA -0.106 4.536 4.640 0.003 0.000 0.198 418 D C 1.713 178.102 176.300 0.150 0.000 0.982 418 D CA 1.280 55.349 54.000 0.115 0.000 0.828 418 D CB -0.316 40.528 40.800 0.073 0.000 0.967 418 D HN 0.492 nan 8.370 nan 0.000 0.464 419 F N 2.259 122.236 119.950 0.044 0.000 2.095 419 F HA -0.234 4.295 4.527 0.003 0.000 0.298 419 F C 2.458 178.270 175.800 0.019 0.000 1.104 419 F CA 1.440 59.457 58.000 0.028 0.000 1.232 419 F CB -0.042 38.973 39.000 0.025 0.000 0.987 419 F HN -0.196 nan 8.300 nan 0.000 0.475 420 Q N 0.527 120.497 119.800 0.283 0.000 2.084 420 Q HA -0.161 4.180 4.340 0.003 0.000 0.202 420 Q C 2.506 178.477 176.000 -0.049 0.000 0.978 420 Q CA 1.614 57.489 55.803 0.120 0.000 0.844 420 Q CB -1.158 27.695 28.738 0.192 0.000 0.898 420 Q HN 0.562 nan 8.270 nan 0.000 0.426 421 A N 0.712 123.575 122.820 0.072 0.000 2.015 421 A HA -0.166 4.156 4.320 0.003 0.000 0.219 421 A C 1.818 179.320 177.584 -0.136 0.000 1.163 421 A CA 1.163 53.205 52.037 0.008 0.000 0.646 421 A CB -0.248 18.806 19.000 0.091 0.000 0.806 421 A HN 0.381 nan 8.150 nan 0.000 0.448 422 Q N -0.948 118.755 119.800 -0.162 0.000 2.360 422 Q HA 0.039 4.381 4.340 0.003 0.000 0.202 422 Q C 1.442 177.295 176.000 -0.245 0.000 0.915 422 Q CA -0.057 55.629 55.803 -0.195 0.000 0.943 422 Q CB 0.207 28.848 28.738 -0.162 0.000 1.064 422 Q HN 0.513 nan 8.270 nan 0.000 0.511 423 Q N -0.379 119.251 119.800 -0.284 0.000 2.291 423 Q HA -0.059 4.283 4.340 0.003 0.000 0.205 423 Q C 1.769 177.651 176.000 -0.197 0.000 0.970 423 Q CA 1.257 56.876 55.803 -0.307 0.000 0.876 423 Q CB -0.100 28.469 28.738 -0.282 0.000 0.935 423 Q HN 0.455 nan 8.270 nan 0.000 0.455 424 G N -0.472 108.231 108.800 -0.162 0.000 2.985 424 G HA2 0.128 4.090 3.960 0.003 0.000 0.209 424 G HA3 0.128 4.090 3.960 0.003 0.000 0.209 424 G C 0.423 175.264 174.900 -0.098 0.000 1.165 424 G CA -0.250 44.779 45.100 -0.118 0.000 0.776 424 G HN 0.146 nan 8.290 nan 0.000 0.541 425 L N 1.152 122.310 121.223 -0.109 0.000 2.319 425 L HA 0.319 4.661 4.340 0.003 0.000 0.280 425 L C 1.873 178.704 176.870 -0.066 0.000 1.099 425 L CA -0.659 54.132 54.840 -0.082 0.000 0.828 425 L CB 1.525 43.534 42.059 -0.083 0.000 1.150 425 L HN 0.130 nan 8.230 nan 0.000 0.442 426 A N 2.692 125.485 122.820 -0.045 0.000 1.986 426 A HA -0.203 4.119 4.320 0.003 0.000 0.220 426 A C 1.422 178.989 177.584 -0.029 0.000 1.171 426 A CA 1.893 53.910 52.037 -0.033 0.000 0.640 426 A CB -0.404 18.584 19.000 -0.021 0.000 0.811 426 A HN 0.906 nan 8.150 nan 0.000 0.451 427 D N -1.359 119.026 120.400 -0.026 0.000 2.358 427 D HA 0.069 4.711 4.640 0.003 0.000 0.224 427 D C 1.161 177.449 176.300 -0.021 0.000 1.123 427 D CA 0.324 54.315 54.000 -0.015 0.000 0.833 427 D CB 0.078 40.878 40.800 -0.001 0.000 0.946 427 D HN 0.248 nan 8.370 nan 0.000 0.505 428 K N 1.590 121.962 120.400 -0.047 0.000 2.032 428 K HA -0.079 4.242 4.320 0.003 0.000 0.209 428 K C -0.867 175.709 176.600 -0.040 0.000 1.048 428 K CA 1.341 57.588 56.287 -0.067 0.000 0.927 428 K CB -1.224 31.191 32.500 -0.141 0.000 0.712 428 K HN 0.131 nan 8.250 nan 0.000 0.441 429 P HA -0.147 nan 4.420 nan 0.000 0.215 429 P C 1.298 178.603 177.300 0.008 0.000 1.157 429 P CA 0.933 64.030 63.100 -0.004 0.000 0.868 429 P CB -0.041 31.656 31.700 -0.004 0.000 0.788 430 L N -0.745 120.481 121.223 0.004 0.000 2.046 430 L HA -0.135 4.206 4.340 0.003 0.000 0.208 430 L C 2.216 179.096 176.870 0.018 0.000 1.077 430 L CA 1.691 56.537 54.840 0.011 0.000 0.747 430 L CB -1.301 40.764 42.059 0.010 0.000 0.896 430 L HN -0.131 nan 8.230 nan 0.000 0.432 431 I N -0.317 120.266 120.570 0.021 0.000 2.163 431 I HA -0.318 3.854 4.170 0.003 0.000 0.243 431 I C 2.016 178.160 176.117 0.045 0.000 1.085 431 I CA 1.585 62.908 61.300 0.038 0.000 1.347 431 I CB -0.465 37.562 38.000 0.044 0.000 1.044 431 I HN 0.277 nan 8.210 nan 0.000 0.408 432 D N 0.495 120.921 120.400 0.043 0.000 2.144 432 D HA -0.191 4.451 4.640 0.003 0.000 0.200 432 D C 2.079 178.408 176.300 0.049 0.000 0.978 432 D CA 0.996 55.033 54.000 0.062 0.000 0.833 432 D CB -0.205 40.643 40.800 0.081 0.000 0.961 432 D HN 0.249 nan 8.370 nan 0.000 0.470 433 K N 0.815 121.235 120.400 0.033 0.000 2.057 433 K HA -0.144 4.177 4.320 0.003 0.000 0.207 433 K C 1.761 178.368 176.600 0.012 0.000 1.049 433 K CA 1.114 57.414 56.287 0.022 0.000 0.931 433 K CB 0.110 32.619 32.500 0.015 0.000 0.714 433 K HN 0.123 nan 8.250 nan 0.000 0.440 434 E N 0.376 120.581 120.200 0.008 0.000 2.150 434 E HA -0.150 4.201 4.350 0.003 0.000 0.193 434 E C 2.076 178.658 176.600 -0.030 0.000 0.985 434 E CA 0.975 57.366 56.400 -0.015 0.000 0.814 434 E CB -0.053 29.642 29.700 -0.008 0.000 0.752 434 E HN 0.358 nan 8.360 nan 0.000 0.466 435 I N 0.953 121.528 120.570 0.008 0.000 2.179 435 I HA -0.203 3.968 4.170 0.003 0.000 0.242 435 I C 2.594 178.730 176.117 0.031 0.000 1.088 435 I CA 1.252 62.567 61.300 0.025 0.000 1.357 435 I CB -0.585 37.464 38.000 0.082 0.000 1.051 435 I HN 0.153 nan 8.210 nan 0.000 0.409 436 G N 0.338 109.161 108.800 0.038 0.000 2.476 436 G HA2 -0.263 3.698 3.960 0.003 0.000 0.218 436 G HA3 -0.263 3.698 3.960 0.003 0.000 0.218 436 G C 1.524 176.436 174.900 0.021 0.000 1.164 436 G CA 0.843 45.968 45.100 0.042 0.000 0.768 436 G HN 0.423 nan 8.290 nan 0.000 0.560 437 E N -0.470 119.722 120.200 -0.014 0.000 2.110 437 E HA -0.057 4.295 4.350 0.003 0.000 0.193 437 E C 2.564 179.114 176.600 -0.084 0.000 0.988 437 E CA 0.729 57.102 56.400 -0.046 0.000 0.804 437 E CB -0.203 29.465 29.700 -0.053 0.000 0.745 437 E HN 0.245 nan 8.360 nan 0.000 0.458 438 V N 0.961 120.796 119.914 -0.132 0.000 2.490 438 V HA -0.199 3.923 4.120 0.003 0.000 0.250 438 V C 1.849 177.896 176.094 -0.078 0.000 1.061 438 V CA 1.210 63.353 62.300 -0.262 0.000 1.064 438 V CB -0.086 31.391 31.823 -0.578 0.000 0.670 438 V HN 0.226 nan 8.190 nan 0.000 0.461 439 L N -0.144 121.118 121.223 0.066 0.000 2.156 439 L HA 0.108 4.450 4.340 0.003 0.000 0.208 439 L C 2.440 179.451 176.870 0.236 0.000 1.095 439 L CA 2.182 57.162 54.840 0.234 0.000 0.770 439 L CB -1.390 40.857 42.059 0.314 0.000 0.914 439 L HN 0.390 nan 8.230 nan 0.000 0.439 440 A N -2.203 120.677 122.820 0.100 0.000 2.063 440 A HA 0.029 4.351 4.320 0.003 0.000 0.211 440 A C 1.418 178.869 177.584 -0.221 0.000 1.177 440 A CA 0.398 52.446 52.037 0.017 0.000 0.759 440 A CB -0.390 18.607 19.000 -0.005 0.000 0.857 440 A HN 0.290 nan 8.150 nan 0.000 0.468 441 T N -0.077 114.361 114.554 -0.193 0.000 2.940 441 T HA 0.141 4.492 4.350 0.003 0.000 0.309 441 T C 0.585 175.108 174.700 -0.295 0.000 1.056 441 T CA 0.300 62.234 62.100 -0.276 0.000 1.137 441 T CB 0.097 68.868 68.868 -0.160 0.000 0.976 441 T HN 0.532 nan 8.240 nan 0.000 0.547 442 H N 1.462 120.542 119.070 0.016 0.000 2.586 442 H HA 0.264 4.822 4.556 0.003 0.000 0.273 442 H C 0.091 175.416 175.328 -0.005 0.000 0.997 442 H CA -0.402 55.657 56.048 0.018 0.000 1.177 442 H CB 0.395 30.184 29.762 0.044 0.000 1.471 442 H HN 0.415 nan 8.280 nan 0.000 0.538 443 D N 1.166 121.589 120.400 0.037 0.000 2.380 443 D HA -0.028 4.613 4.640 0.003 0.000 0.230 443 D C 1.156 177.443 176.300 -0.022 0.000 1.154 443 D CA -0.119 53.892 54.000 0.018 0.000 0.859 443 D CB 1.190 41.995 40.800 0.009 0.000 1.045 443 D HN 0.173 nan 8.370 nan 0.000 0.495 444 E N 2.122 122.319 120.200 -0.005 0.000 2.150 444 E HA -0.122 4.230 4.350 0.003 0.000 0.193 444 E C 1.325 177.930 176.600 0.010 0.000 0.985 444 E CA 1.406 57.799 56.400 -0.011 0.000 0.814 444 E CB 0.053 29.766 29.700 0.021 0.000 0.752 444 E HN 0.470 nan 8.360 nan 0.000 0.466 445 T N 0.183 114.747 114.554 0.016 0.000 2.746 445 T HA -0.185 4.166 4.350 0.003 0.000 0.267 445 T C 1.692 176.396 174.700 0.006 0.000 1.039 445 T CA 1.505 63.619 62.100 0.023 0.000 1.142 445 T CB -0.290 68.591 68.868 0.022 0.000 0.866 445 T HN 0.175 nan 8.240 nan 0.000 0.444 446 Q N 1.233 121.023 119.800 -0.018 0.000 2.119 446 Q HA 0.024 4.366 4.340 0.003 0.000 0.201 446 Q C 2.275 178.224 176.000 -0.084 0.000 0.972 446 Q CA 1.425 57.205 55.803 -0.040 0.000 0.847 446 Q CB -0.246 28.466 28.738 -0.044 0.000 0.903 446 Q HN 0.404 nan 8.270 nan 0.000 0.433 447 R N -0.397 120.030 120.500 -0.122 0.000 2.083 447 R HA -0.190 4.152 4.340 0.003 0.000 0.237 447 R C 2.199 178.397 176.300 -0.170 0.000 1.137 447 R CA 2.000 57.957 56.100 -0.239 0.000 0.951 447 R CB -0.085 30.029 30.300 -0.309 0.000 0.851 447 R HN 0.432 nan 8.270 nan 0.000 0.434 448 Q N -0.706 119.090 119.800 -0.006 0.000 2.119 448 Q HA -0.074 4.268 4.340 0.003 0.000 0.201 448 Q C 2.092 178.158 176.000 0.110 0.000 0.972 448 Q CA 1.380 57.270 55.803 0.145 0.000 0.847 448 Q CB -0.005 28.851 28.738 0.196 0.000 0.903 448 Q HN 0.429 nan 8.270 nan 0.000 0.433 449 A N 0.732 123.577 122.820 0.043 0.000 1.902 449 A HA -0.149 4.173 4.320 0.003 0.000 0.217 449 A C 2.027 179.623 177.584 0.020 0.000 1.181 449 A CA 1.043 53.101 52.037 0.036 0.000 0.623 449 A CB -0.582 18.427 19.000 0.016 0.000 0.818 449 A HN 0.275 nan 8.150 nan 0.000 0.443 450 L N -2.251 118.944 121.223 -0.046 0.000 2.056 450 L HA -0.181 4.161 4.340 0.003 0.000 0.207 450 L C 2.559 179.394 176.870 -0.059 0.000 1.078 450 L CA 1.380 56.166 54.840 -0.090 0.000 0.749 450 L CB -0.631 41.312 42.059 -0.193 0.000 0.901 450 L HN 0.494 nan 8.230 nan 0.000 0.433 451 Y N -0.211 120.071 120.300 -0.031 0.000 2.128 451 Y HA -0.331 4.221 4.550 0.003 0.000 0.284 451 Y C 2.949 178.887 175.900 0.064 0.000 1.154 451 Y CA 1.444 59.549 58.100 0.008 0.000 1.149 451 Y CB -0.194 38.241 38.460 -0.041 0.000 0.976 451 Y HN 0.093 nan 8.280 nan 0.000 0.505 452 R N 0.582 121.213 120.500 0.218 0.000 2.083 452 R HA -0.237 4.105 4.340 0.003 0.000 0.237 452 R C 1.796 178.174 176.300 0.130 0.000 1.137 452 R CA 2.314 58.508 56.100 0.156 0.000 0.951 452 R CB -0.500 29.869 30.300 0.115 0.000 0.851 452 R HN 0.327 nan 8.270 nan 0.000 0.434 453 D N -0.229 120.231 120.400 0.101 0.000 2.097 453 D HA -0.125 4.517 4.640 0.003 0.000 0.195 453 D C 1.917 178.279 176.300 0.104 0.000 0.989 453 D CA 1.550 55.600 54.000 0.083 0.000 0.827 453 D CB 0.034 40.865 40.800 0.051 0.000 0.966 453 D HN 0.325 nan 8.370 nan 0.000 0.456 454 I N 0.011 120.653 120.570 0.120 0.000 2.142 454 I HA -0.237 3.935 4.170 0.003 0.000 0.240 454 I C 2.353 178.588 176.117 0.197 0.000 1.078 454 I CA 0.773 62.163 61.300 0.149 0.000 1.343 454 I CB -0.245 37.855 38.000 0.165 0.000 1.046 454 I HN 0.106 nan 8.210 nan 0.000 0.405 455 L N -0.111 121.254 121.223 0.237 0.000 2.083 455 L HA -0.179 4.162 4.340 0.003 0.000 0.209 455 L C 2.593 179.589 176.870 0.210 0.000 1.083 455 L CA 1.415 56.407 54.840 0.254 0.000 0.752 455 L CB -0.924 41.297 42.059 0.270 0.000 0.899 455 L HN 0.294 nan 8.230 nan 0.000 0.433 456 T N -0.833 113.822 114.554 0.167 0.000 2.777 456 T HA -0.139 4.213 4.350 0.003 0.000 0.266 456 T C 2.042 176.841 174.700 0.165 0.000 1.040 456 T CA 1.021 63.214 62.100 0.155 0.000 1.141 456 T CB -0.109 68.826 68.868 0.113 0.000 0.868 456 T HN 0.260 nan 8.240 nan 0.000 0.444 457 R N 0.563 121.144 120.500 0.135 0.000 2.083 457 R HA 0.013 4.355 4.340 0.003 0.000 0.237 457 R C 2.457 178.827 176.300 0.117 0.000 1.137 457 R CA 1.194 57.358 56.100 0.107 0.000 0.951 457 R CB -0.601 29.749 30.300 0.083 0.000 0.851 457 R HN 0.342 nan 8.270 nan 0.000 0.434 458 L N -0.936 120.384 121.223 0.161 0.000 2.083 458 L HA -0.223 4.118 4.340 0.003 0.000 0.209 458 L C 2.493 179.474 176.870 0.184 0.000 1.083 458 L CA 1.481 56.431 54.840 0.182 0.000 0.752 458 L CB -0.508 41.723 42.059 0.285 0.000 0.899 458 L HN 0.289 nan 8.230 nan 0.000 0.433 459 H N 0.185 119.321 119.070 0.110 0.000 2.299 459 H HA -0.165 4.392 4.556 0.003 0.000 0.302 459 H C 1.898 177.251 175.328 0.042 0.000 1.078 459 H CA 1.894 57.990 56.048 0.080 0.000 1.323 459 H CB 0.062 29.870 29.762 0.077 0.000 1.381 459 H HN 0.185 nan 8.280 nan 0.000 0.498 460 D N 0.292 120.751 120.400 0.099 0.000 2.178 460 D HA -0.115 4.527 4.640 0.003 0.000 0.201 460 D C 1.440 177.722 176.300 -0.029 0.000 0.980 460 D CA 1.117 55.130 54.000 0.022 0.000 0.842 460 D CB -0.133 40.711 40.800 0.072 0.000 0.948 460 D HN 0.620 nan 8.370 nan 0.000 0.472 461 E N -0.183 120.006 120.200 -0.019 0.000 2.489 461 E HA 0.257 4.609 4.350 0.003 0.000 0.193 461 E C 0.514 177.065 176.600 -0.083 0.000 1.057 461 E CA 0.261 56.636 56.400 -0.041 0.000 0.866 461 E CB 0.286 29.969 29.700 -0.029 0.000 0.916 461 E HN 0.125 nan 8.360 nan 0.000 0.500 462 A N 0.531 123.282 122.820 -0.114 0.000 2.687 462 A HA -0.211 4.111 4.320 0.003 0.000 0.299 462 A C 1.382 178.874 177.584 -0.153 0.000 1.497 462 A CA 0.569 52.517 52.037 -0.148 0.000 0.751 462 A CB -2.373 16.537 19.000 -0.150 0.000 1.048 462 A HN 0.203 nan 8.150 nan 0.000 0.464 463 V N -1.941 117.860 119.914 -0.189 0.000 2.427 463 V HA -0.095 4.027 4.120 0.003 0.000 0.248 463 V C 1.277 177.040 176.094 -0.551 0.000 1.051 463 V CA 2.023 64.088 62.300 -0.393 0.000 1.048 463 V CB -0.602 30.894 31.823 -0.546 0.000 0.666 463 V HN 0.660 nan 8.190 nan 0.000 0.456 464 Y N -1.428 118.852 120.300 -0.033 0.000 2.534 464 Y HA 0.641 5.192 4.550 0.003 0.000 0.329 464 Y C -0.112 175.743 175.900 -0.076 0.000 1.154 464 Y CA -1.103 56.975 58.100 -0.036 0.000 1.192 464 Y CB 1.528 39.975 38.460 -0.021 0.000 1.275 464 Y HN -0.126 nan 8.280 nan 0.000 0.491 465 L N 4.676 125.955 121.223 0.094 0.000 2.408 465 L HA 0.500 4.842 4.340 0.003 0.000 0.257 465 L C -2.814 174.053 176.870 -0.005 0.000 1.053 465 L CA -2.050 52.788 54.840 -0.003 0.000 0.922 465 L CB 1.096 43.125 42.059 -0.050 0.000 1.261 465 L HN 0.367 nan 8.230 nan 0.000 0.458 466 P HA 0.170 nan 4.420 nan 0.000 0.268 466 P C 0.247 177.470 177.300 -0.128 0.000 1.204 466 P CA 0.227 63.274 63.100 -0.089 0.000 0.768 466 P CB 1.328 32.968 31.700 -0.101 0.000 0.842 467 I N -0.008 120.470 120.570 -0.154 0.000 3.345 467 I HA 0.109 4.281 4.170 0.003 0.000 0.258 467 I C 0.815 176.795 176.117 -0.228 0.000 1.134 467 I CA 0.650 61.866 61.300 -0.140 0.000 1.457 467 I CB 0.240 38.207 38.000 -0.055 0.000 1.425 467 I HN 0.294 nan 8.210 nan 0.000 0.461 468 S N -0.923 114.612 115.700 -0.275 0.000 2.541 468 S HA 0.514 4.985 4.470 0.003 0.000 0.271 468 S C -1.710 172.676 174.600 -0.356 0.000 1.133 468 S CA -0.442 57.574 58.200 -0.306 0.000 0.876 468 S CB 0.927 64.031 63.200 -0.160 0.000 1.105 468 S HN 0.069 nan 8.310 nan 0.000 0.470 469 Y N 3.654 123.916 120.300 -0.063 0.000 2.367 469 Y HA 0.482 5.034 4.550 0.002 0.000 0.342 469 Y C 0.552 176.407 175.900 -0.076 0.000 0.979 469 Y CA -1.166 56.893 58.100 -0.069 0.000 1.161 469 Y CB 0.263 38.690 38.460 -0.055 0.000 1.155 469 Y HN 0.636 nan 8.280 nan 0.000 0.503 470 I N -0.661 119.941 120.570 0.054 0.000 2.664 470 I HA 0.788 4.960 4.170 0.003 0.000 0.308 470 I C 0.002 176.088 176.117 -0.052 0.000 0.984 470 I CA -0.437 60.846 61.300 -0.030 0.000 1.213 470 I CB 1.649 39.608 38.000 -0.069 0.000 1.379 470 I HN 0.304 nan 8.210 nan 0.000 0.501 471 S N 3.404 119.040 115.700 -0.107 0.000 2.704 471 S HA 0.647 5.119 4.470 0.003 0.000 0.305 471 S C -0.373 174.101 174.600 -0.211 0.000 1.107 471 S CA -0.668 57.438 58.200 -0.157 0.000 0.993 471 S CB 1.404 64.507 63.200 -0.163 0.000 1.110 471 S HN 0.732 nan 8.310 nan 0.000 0.534 472 M N 2.796 122.229 119.600 -0.279 0.000 2.233 472 M HA 0.431 4.913 4.480 0.003 0.000 0.350 472 M C -0.625 175.470 176.300 -0.341 0.000 1.176 472 M CA 0.252 55.353 55.300 -0.331 0.000 1.150 472 M CB 0.170 32.514 32.600 -0.427 0.000 1.530 472 M HN 0.690 nan 8.290 nan 0.000 0.459 473 M N 3.009 122.393 119.600 -0.360 0.000 2.591 473 M HA 0.836 5.317 4.480 0.003 0.000 0.306 473 M C -1.606 174.535 176.300 -0.264 0.000 1.190 473 M CA -1.036 54.052 55.300 -0.353 0.000 0.889 473 M CB 1.754 33.944 32.600 -0.684 0.000 1.728 473 M HN 0.341 nan 8.290 nan 0.000 0.458 474 V N 1.950 121.814 119.914 -0.082 0.000 2.789 474 V HA 0.743 4.864 4.120 0.003 0.000 0.311 474 V C -0.828 175.294 176.094 0.047 0.000 1.073 474 V CA -0.699 61.581 62.300 -0.033 0.000 0.921 474 V CB 2.331 34.154 31.823 -0.000 0.000 1.009 474 V HN 0.791 nan 8.190 nan 0.000 0.426 475 V N 3.173 123.043 119.914 -0.073 0.000 2.638 475 V HA 0.859 4.981 4.120 0.003 0.000 0.306 475 V C -0.353 175.522 176.094 -0.366 0.000 1.052 475 V CA -0.308 61.805 62.300 -0.311 0.000 0.885 475 V CB 2.137 33.615 31.823 -0.575 0.000 0.999 475 V HN 1.078 nan 8.190 nan 0.000 0.424 476 S N 3.095 118.697 115.700 -0.163 0.000 2.550 476 S HA 0.618 5.090 4.470 0.003 0.000 0.270 476 S C -1.097 173.760 174.600 0.428 0.000 1.145 476 S CA -1.207 57.105 58.200 0.186 0.000 0.852 476 S CB 1.719 65.045 63.200 0.210 0.000 1.119 476 S HN 0.547 nan 8.310 nan 0.000 0.465 477 K N 1.591 122.245 120.400 0.424 0.000 2.448 477 K HA 0.194 4.516 4.320 0.003 0.000 0.278 477 K C -1.805 174.893 176.600 0.163 0.000 1.009 477 K CA -1.693 54.748 56.287 0.258 0.000 0.995 477 K CB 0.260 32.827 32.500 0.112 0.000 0.917 477 K HN 0.353 nan 8.250 nan 0.000 0.481 478 P HA -0.198 nan 4.420 nan 0.000 0.217 478 P C 0.201 177.489 177.300 -0.019 0.000 1.148 478 P CA 1.296 64.419 63.100 0.037 0.000 0.828 478 P CB 0.243 31.963 31.700 0.034 0.000 0.783 479 E N -0.619 119.583 120.200 0.003 0.000 2.219 479 E HA -0.157 4.194 4.350 0.003 0.000 0.198 479 E C 1.723 178.317 176.600 -0.010 0.000 0.998 479 E CA 0.845 57.241 56.400 -0.008 0.000 0.818 479 E CB -0.944 28.755 29.700 -0.001 0.000 0.741 479 E HN 0.295 nan 8.360 nan 0.000 0.477 480 L N -0.377 120.848 121.223 0.002 0.000 2.478 480 L HA 0.093 4.434 4.340 0.003 0.000 0.223 480 L C 1.236 178.087 176.870 -0.033 0.000 1.140 480 L CA 0.253 55.097 54.840 0.007 0.000 0.842 480 L CB -0.881 41.205 42.059 0.046 0.000 0.953 480 L HN 0.309 nan 8.230 nan 0.000 0.452 481 G N 0.743 109.485 108.800 -0.096 0.000 2.693 481 G HA2 -0.348 3.614 3.960 0.003 0.000 0.226 481 G HA3 -0.348 3.614 3.960 0.003 0.000 0.226 481 G C -0.251 174.515 174.900 -0.223 0.000 1.354 481 G CA -0.123 44.883 45.100 -0.155 0.000 0.873 481 G HN 0.402 nan 8.290 nan 0.000 0.562 482 N N 0.043 118.644 118.700 -0.164 0.000 2.483 482 N HA 0.358 5.100 4.740 0.003 0.000 0.264 482 N C 0.347 175.835 175.510 -0.035 0.000 1.197 482 N CA -0.282 52.723 53.050 -0.074 0.000 0.927 482 N CB 0.185 38.652 38.487 -0.032 0.000 1.065 482 N HN 0.544 nan 8.380 nan 0.000 0.461 483 I N 5.390 125.958 120.570 -0.004 0.000 2.321 483 I HA 0.336 4.508 4.170 0.003 0.000 0.291 483 I C -1.952 174.032 176.117 -0.221 0.000 0.998 483 I CA -2.406 58.865 61.300 -0.048 0.000 1.227 483 I CB 0.714 38.740 38.000 0.044 0.000 1.368 483 I HN 0.524 nan 8.210 nan 0.000 0.466 484 P HA 0.233 nan 4.420 nan 0.000 0.276 484 P C -1.312 175.840 177.300 -0.246 0.000 1.252 484 P CA -0.208 62.748 63.100 -0.239 0.000 0.802 484 P CB 0.569 32.224 31.700 -0.075 0.000 1.035 485 Y N -0.297 120.087 120.300 0.139 0.000 2.330 485 Y HA 0.473 5.024 4.550 0.002 0.000 0.336 485 Y C 1.092 177.069 175.900 0.128 0.000 1.036 485 Y CA -1.153 57.058 58.100 0.186 0.000 1.125 485 Y CB 1.074 39.603 38.460 0.115 0.000 1.194 485 Y HN 0.370 nan 8.280 nan 0.000 0.469 486 A N 4.996 127.987 122.820 0.285 0.000 2.440 486 A HA 0.240 4.562 4.320 0.003 0.000 0.251 486 A C -1.600 176.106 177.584 0.203 0.000 1.089 486 A CA -1.248 50.890 52.037 0.167 0.000 0.779 486 A CB 0.127 19.182 19.000 0.092 0.000 1.022 486 A HN 0.665 nan 8.150 nan 0.000 0.492 487 P HA -0.107 nan 4.420 nan 0.000 0.216 487 P C 0.070 177.553 177.300 0.305 0.000 1.150 487 P CA 1.069 64.305 63.100 0.227 0.000 0.843 487 P CB -0.038 31.774 31.700 0.186 0.000 0.787 488 I N -0.558 120.161 120.570 0.248 0.000 2.352 488 I HA 0.135 4.307 4.170 0.003 0.000 0.290 488 I C 1.534 177.760 176.117 0.182 0.000 1.036 488 I CA -0.548 60.854 61.300 0.170 0.000 1.336 488 I CB 1.396 39.458 38.000 0.103 0.000 1.407 488 I HN -0.097 nan 8.210 nan 0.000 0.497 489 A N 4.382 127.316 122.820 0.190 0.000 2.024 489 A HA -0.173 4.148 4.320 0.003 0.000 0.220 489 A C 2.053 179.757 177.584 0.200 0.000 1.164 489 A CA 2.238 54.384 52.037 0.183 0.000 0.643 489 A CB -0.779 18.315 19.000 0.156 0.000 0.806 489 A HN 0.822 nan 8.150 nan 0.000 0.451 490 T N -2.285 112.390 114.554 0.202 0.000 3.129 490 T HA 0.197 4.548 4.350 0.003 0.000 0.251 490 T C 0.406 175.215 174.700 0.182 0.000 1.117 490 T CA 0.096 62.313 62.100 0.195 0.000 1.034 490 T CB -0.059 68.909 68.868 0.166 0.000 0.968 490 T HN 0.548 nan 8.240 nan 0.000 0.526 491 E N 0.765 121.055 120.200 0.150 0.000 2.248 491 E HA 0.608 4.960 4.350 0.003 0.000 0.272 491 E C -0.813 175.765 176.600 -0.037 0.000 1.008 491 E CA -0.764 55.685 56.400 0.080 0.000 0.856 491 E CB 1.733 31.474 29.700 0.068 0.000 1.120 491 E HN 0.366 nan 8.360 nan 0.000 0.397 492 I N 3.051 123.487 120.570 -0.223 0.000 2.418 492 I HA 0.217 4.388 4.170 0.003 0.000 0.287 492 I C -2.125 173.597 176.117 -0.659 0.000 1.008 492 I CA -2.158 58.680 61.300 -0.770 0.000 1.104 492 I CB 2.004 39.327 38.000 -1.128 0.000 1.264 492 I HN 0.255 nan 8.210 nan 0.000 0.438 493 P HA 0.167 nan 4.420 nan 0.000 0.218 493 P C 0.712 177.905 177.300 -0.179 0.000 1.793 493 P CA -0.142 62.819 63.100 -0.231 0.000 0.941 493 P CB -0.307 31.321 31.700 -0.120 0.000 1.919 494 F N 1.923 121.843 119.950 -0.050 0.000 2.120 494 F HA -0.230 4.299 4.527 0.003 0.000 0.300 494 F C 2.405 178.361 175.800 0.260 0.000 1.095 494 F CA 1.406 59.397 58.000 -0.015 0.000 1.249 494 F CB -0.587 38.230 39.000 -0.304 0.000 0.995 494 F HN 0.173 nan 8.300 nan 0.000 0.480 495 E N 0.808 121.357 120.200 0.581 0.000 2.472 495 E HA -0.203 4.148 4.350 0.003 0.000 0.200 495 E C 1.194 177.899 176.600 0.175 0.000 1.046 495 E CA 0.971 57.598 56.400 0.378 0.000 0.871 495 E CB -0.676 29.091 29.700 0.112 0.000 0.806 495 E HN 0.567 nan 8.360 nan 0.000 0.533 496 Q N 0.251 120.134 119.800 0.139 0.000 2.282 496 Q HA 0.318 4.659 4.340 0.003 0.000 0.206 496 Q C 0.260 176.297 176.000 0.061 0.000 0.878 496 Q CA -0.199 55.649 55.803 0.074 0.000 0.944 496 Q CB 0.738 29.501 28.738 0.042 0.000 1.100 496 Q HN 0.292 nan 8.270 nan 0.000 0.509 497 I N 1.901 122.527 120.570 0.092 0.000 2.416 497 I HA 0.099 4.271 4.170 0.003 0.000 0.288 497 I C 0.045 176.208 176.117 0.076 0.000 1.051 497 I CA 0.207 61.550 61.300 0.073 0.000 1.375 497 I CB 0.644 38.698 38.000 0.090 0.000 1.407 497 I HN -0.206 nan 8.210 nan 0.000 0.516 498 K N 8.053 128.480 120.400 0.044 0.000 2.575 498 K HA 0.401 4.723 4.320 0.003 0.000 0.236 498 K C -2.321 174.292 176.600 0.023 0.000 0.976 498 K CA -1.405 54.903 56.287 0.036 0.000 0.985 498 K CB 1.469 33.984 32.500 0.024 0.000 1.198 498 K HN 0.409 nan 8.250 nan 0.000 0.464 499 P HA 0.000 nan 4.420 nan 0.000 0.216 499 P CA 0.000 63.110 63.100 0.016 0.000 0.800 499 P CB 0.000 31.714 31.700 0.023 0.000 0.726