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 3e3k_1_C 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 0.000 177.586 177.584 0.003 0.000 1.274 2 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 2 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 3 P HA 0.241 nan 4.420 nan 0.000 0.265 3 P C -0.920 176.391 177.300 0.018 0.000 1.187 3 P CA 1.301 64.406 63.100 0.008 0.000 0.766 3 P CB 0.010 31.713 31.700 0.004 0.000 0.820 4 D N 1.249 121.665 120.400 0.027 0.000 3.003 4 D HA -0.264 4.376 4.640 -0.001 0.000 0.223 4 D C -0.405 175.926 176.300 0.051 0.000 1.204 4 D CA 0.754 54.781 54.000 0.045 0.000 0.828 4 D CB -1.268 39.555 40.800 0.038 0.000 0.918 4 D HN 0.688 nan 8.370 nan 0.000 0.401 5 E N 0.533 120.761 120.200 0.048 0.000 2.619 5 E HA 0.189 4.539 4.350 -0.001 0.000 0.320 5 E C -0.388 176.219 176.600 0.012 0.000 1.085 5 E CA -0.535 55.888 56.400 0.039 0.000 0.638 5 E CB 0.000 29.716 29.700 0.027 0.000 1.315 5 E HN 0.536 nan 8.360 nan 0.000 0.407 6 I N 0.760 121.328 120.570 -0.004 0.000 2.797 6 I HA 0.756 4.926 4.170 -0.001 0.000 0.310 6 I C -0.294 175.768 176.117 -0.092 0.000 0.990 6 I CA -0.137 61.143 61.300 -0.033 0.000 1.228 6 I CB 1.903 39.892 38.000 -0.018 0.000 1.406 6 I HN 0.330 nan 8.210 nan 0.000 0.534 7 T N 1.665 116.170 114.554 -0.082 0.000 2.921 7 T HA 0.656 5.005 4.350 -0.001 0.000 0.297 7 T C -0.271 174.364 174.700 -0.109 0.000 1.013 7 T CA -0.427 61.605 62.100 -0.112 0.000 0.990 7 T CB 1.667 70.513 68.868 -0.037 0.000 1.023 7 T HN 0.843 nan 8.240 nan 0.000 0.447 8 T N 2.025 116.435 114.554 -0.240 0.000 2.628 8 T HA 0.970 5.319 4.350 -0.001 0.000 0.223 8 T C -0.119 174.590 174.700 0.014 0.000 0.959 8 T CA -0.347 61.666 62.100 -0.145 0.000 1.113 8 T CB 0.534 69.188 68.868 -0.357 0.000 2.140 8 T HN 1.484 nan 8.240 nan 0.000 0.516 9 A N -0.427 122.470 122.820 0.130 0.000 2.581 9 A HA 0.555 4.874 4.320 -0.001 0.000 0.294 9 A C -2.425 175.462 177.584 0.505 0.000 1.035 9 A CA -0.792 51.419 52.037 0.291 0.000 0.684 9 A CB 0.788 19.907 19.000 0.199 0.000 1.282 9 A HN 0.702 nan 8.150 nan 0.000 0.417 10 W N 2.298 123.723 121.300 0.209 0.000 3.217 10 W HA 0.439 5.099 4.660 -0.001 0.000 0.323 10 W C -2.726 173.870 176.519 0.129 0.000 1.216 10 W CA -1.889 55.564 57.345 0.180 0.000 1.194 10 W CB 2.389 32.018 29.460 0.281 0.000 1.397 10 W HN 0.518 nan 8.180 nan 0.000 0.537 11 P HA -0.154 nan 4.420 nan 0.000 0.218 11 P C 0.280 177.562 177.300 -0.030 0.000 1.148 11 P CA 1.679 64.646 63.100 -0.221 0.000 0.822 11 P CB 0.236 31.697 31.700 -0.397 0.000 0.784 12 V N -5.712 114.265 119.914 0.105 0.000 3.141 12 V HA 0.480 4.599 4.120 -0.001 0.000 0.312 12 V C -0.041 176.263 176.094 0.351 0.000 1.157 12 V CA -1.399 61.027 62.300 0.210 0.000 1.041 12 V CB 1.370 33.291 31.823 0.163 0.000 1.071 12 V HN -0.240 nan 8.190 nan 0.000 0.441 13 N N -0.031 118.792 118.700 0.204 0.000 2.326 13 N HA 0.246 4.985 4.740 -0.001 0.000 0.239 13 N C 1.083 176.673 175.510 0.133 0.000 1.301 13 N CA 0.036 53.182 53.050 0.159 0.000 0.909 13 N CB 1.731 40.261 38.487 0.071 0.000 1.156 13 N HN 0.594 nan 8.380 nan 0.000 0.462 14 V N 0.187 120.121 119.914 0.033 0.000 2.379 14 V HA 0.029 4.149 4.120 -0.001 0.000 0.245 14 V C 1.390 177.428 176.094 -0.094 0.000 1.044 14 V CA 1.882 64.116 62.300 -0.110 0.000 1.036 14 V CB -1.126 30.607 31.823 -0.150 0.000 0.664 14 V HN 1.028 nan 8.190 nan 0.000 0.453 15 G N -0.249 108.520 108.800 -0.051 0.000 2.396 15 G HA2 -0.097 3.863 3.960 -0.001 0.000 0.254 15 G HA3 -0.097 3.863 3.960 -0.001 0.000 0.254 15 G C -1.998 172.872 174.900 -0.050 0.000 1.248 15 G CA -0.019 45.053 45.100 -0.046 0.000 1.033 15 G HN 0.146 nan 8.290 nan 0.000 0.502 16 P HA 0.231 nan 4.420 nan 0.000 0.227 16 P C 0.991 178.282 177.300 -0.015 0.000 1.161 16 P CA 1.201 64.285 63.100 -0.027 0.000 0.788 16 P CB 0.370 32.058 31.700 -0.021 0.000 0.822 17 L N -0.388 120.822 121.223 -0.021 0.000 3.600 17 L HA -0.117 4.222 4.340 -0.001 0.000 0.424 17 L C -0.230 176.683 176.870 0.072 0.000 1.260 17 L CA -0.098 54.762 54.840 0.034 0.000 0.883 17 L CB -2.867 39.229 42.059 0.061 0.000 1.895 17 L HN 0.130 nan 8.230 nan 0.000 0.827 18 N N 1.056 119.738 118.700 -0.030 0.000 2.438 18 N HA 0.161 4.900 4.740 -0.001 0.000 0.267 18 N C -1.409 173.970 175.510 -0.219 0.000 1.222 18 N CA -0.983 52.001 53.050 -0.111 0.000 0.930 18 N CB 1.236 39.670 38.487 -0.087 0.000 1.083 18 N HN 0.124 nan 8.380 nan 0.000 0.476 19 P HA -0.086 nan 4.420 nan 0.000 0.219 19 P C -0.078 177.079 177.300 -0.238 0.000 1.146 19 P CA 1.537 64.235 63.100 -0.670 0.000 0.808 19 P CB 0.160 31.171 31.700 -1.147 0.000 0.779 20 H N -3.553 115.377 119.070 -0.233 0.000 2.986 20 H HA 0.192 4.747 4.556 -0.001 0.000 0.267 20 H C 0.770 176.082 175.328 -0.027 0.000 1.072 20 H CA -0.765 55.199 56.048 -0.140 0.000 1.202 20 H CB 0.447 30.160 29.762 -0.081 0.000 1.535 20 H HN 0.011 nan 8.280 nan 0.000 0.522 21 L N 0.416 121.650 121.223 0.018 0.000 2.472 21 L HA 0.201 4.540 4.340 -0.001 0.000 0.256 21 L C 0.274 177.069 176.870 -0.124 0.000 1.111 21 L CA -0.088 54.801 54.840 0.083 0.000 0.800 21 L CB 0.555 42.649 42.059 0.058 0.000 1.286 21 L HN 0.156 nan 8.230 nan 0.000 0.479 22 Y N -0.756 119.526 120.300 -0.031 0.000 3.305 22 Y HA 0.172 4.722 4.550 -0.001 0.000 0.323 22 Y C 1.019 176.838 175.900 -0.135 0.000 1.478 22 Y CA -0.402 57.646 58.100 -0.087 0.000 0.782 22 Y CB -0.700 37.694 38.460 -0.110 0.000 1.178 22 Y HN 0.530 nan 8.280 nan 0.000 0.810 23 T N 3.981 118.530 114.554 -0.009 0.000 2.934 23 T HA 0.015 4.365 4.350 -0.001 0.000 0.321 23 T C -1.697 172.950 174.700 -0.089 0.000 1.080 23 T CA -0.929 61.070 62.100 -0.168 0.000 1.132 23 T CB 0.249 68.865 68.868 -0.420 0.000 1.039 23 T HN 0.374 nan 8.240 nan 0.000 0.543 24 P HA 0.134 nan 4.420 nan 0.000 0.255 24 P C -0.359 176.894 177.300 -0.079 0.000 1.427 24 P CA -0.349 62.695 63.100 -0.093 0.000 0.863 24 P CB -0.048 31.619 31.700 -0.055 0.000 1.444 25 N N 1.915 120.559 118.700 -0.094 0.000 2.497 25 N HA 0.058 4.797 4.740 -0.001 0.000 0.268 25 N C 0.353 175.775 175.510 -0.148 0.000 1.171 25 N CA 0.253 53.230 53.050 -0.122 0.000 0.948 25 N CB 0.653 39.063 38.487 -0.127 0.000 1.069 25 N HN 0.186 nan 8.380 nan 0.000 0.460 26 Q N 2.941 122.604 119.800 -0.228 0.000 2.314 26 Q HA 0.176 4.516 4.340 -0.001 0.000 0.257 26 Q C 1.281 177.033 176.000 -0.413 0.000 0.975 26 Q CA -0.126 55.509 55.803 -0.281 0.000 0.933 26 Q CB 1.255 29.674 28.738 -0.532 0.000 1.195 26 Q HN 0.569 nan 8.270 nan 0.000 0.426 27 M N 1.644 121.134 119.600 -0.184 0.000 2.143 27 M HA -0.232 4.247 4.480 -0.001 0.000 0.258 27 M C 1.577 177.782 176.300 -0.158 0.000 1.071 27 M CA 1.956 57.170 55.300 -0.144 0.000 1.088 27 M CB -0.478 32.092 32.600 -0.051 0.000 1.360 27 M HN 0.646 nan 8.290 nan 0.000 0.404 28 F N -0.222 119.636 119.950 -0.153 0.000 2.146 28 F HA 0.070 4.596 4.527 -0.001 0.000 0.298 28 F C 2.345 178.021 175.800 -0.208 0.000 1.096 28 F CA 0.901 58.793 58.000 -0.179 0.000 1.275 28 F CB -1.217 37.627 39.000 -0.261 0.000 1.008 28 F HN -0.010 nan 8.300 nan 0.000 0.480 29 A N 0.517 122.421 122.820 -1.526 0.000 1.933 29 A HA -0.176 4.144 4.320 -0.001 0.000 0.218 29 A C 2.244 179.611 177.584 -0.361 0.000 1.175 29 A CA 1.711 53.126 52.037 -1.036 0.000 0.628 29 A CB -0.910 17.372 19.000 -1.196 0.000 0.814 29 A HN 0.646 nan 8.150 nan 0.000 0.444 30 Q N -0.276 119.364 119.800 -0.266 0.000 2.079 30 Q HA -0.094 4.246 4.340 -0.001 0.000 0.200 30 Q C 2.326 178.371 176.000 0.075 0.000 0.974 30 Q CA 1.659 57.466 55.803 0.006 0.000 0.840 30 Q CB -0.184 28.547 28.738 -0.011 0.000 0.898 30 Q HN 0.644 nan 8.270 nan 0.000 0.430 31 S N 0.625 116.324 115.700 -0.001 0.000 2.442 31 S HA -0.096 4.373 4.470 -0.001 0.000 0.236 31 S C 1.815 176.451 174.600 0.060 0.000 1.007 31 S CA 0.985 59.210 58.200 0.042 0.000 0.965 31 S CB -0.083 63.132 63.200 0.025 0.000 0.773 31 S HN 0.314 nan 8.310 nan 0.000 0.504 32 M N 0.341 119.952 119.600 0.017 0.000 2.200 32 M HA -0.010 4.469 4.480 -0.001 0.000 0.265 32 M C 1.753 178.137 176.300 0.140 0.000 1.066 32 M CA 1.114 56.457 55.300 0.071 0.000 1.127 32 M CB -0.156 32.348 32.600 -0.161 0.000 1.379 32 M HN 0.168 nan 8.290 nan 0.000 0.420 33 V N -1.799 118.109 119.914 -0.010 0.000 3.125 33 V HA -0.029 4.091 4.120 -0.001 0.000 0.249 33 V C -0.122 175.707 176.094 -0.441 0.000 1.113 33 V CA 0.650 62.801 62.300 -0.248 0.000 1.106 33 V CB -0.271 31.241 31.823 -0.518 0.000 0.768 33 V HN 0.242 nan 8.190 nan 0.000 0.468 34 Y N 0.542 120.907 120.300 0.109 0.000 2.376 34 Y HA 0.605 5.154 4.550 -0.001 0.000 0.340 34 Y C 0.181 176.157 175.900 0.126 0.000 0.965 34 Y CA -1.107 57.059 58.100 0.109 0.000 1.078 34 Y CB 1.284 39.783 38.460 0.064 0.000 1.193 34 Y HN 0.176 nan 8.280 nan 0.000 0.452 35 E N 4.250 124.659 120.200 0.349 0.000 2.235 35 E HA 0.526 4.876 4.350 -0.001 0.000 0.265 35 E C -2.863 173.935 176.600 0.330 0.000 0.940 35 E CA -2.448 54.158 56.400 0.343 0.000 0.819 35 E CB 2.006 32.108 29.700 0.670 0.000 1.206 35 E HN 0.222 nan 8.360 nan 0.000 0.409 36 P HA 0.185 nan 4.420 nan 0.000 0.284 36 P C 0.322 177.873 177.300 0.419 0.000 1.287 36 P CA -0.580 62.660 63.100 0.234 0.000 0.824 36 P CB 1.330 33.053 31.700 0.039 0.000 1.180 37 L N -0.680 120.781 121.223 0.396 0.000 2.478 37 L HA 0.119 4.459 4.340 -0.001 0.000 0.223 37 L C 0.953 177.943 176.870 0.200 0.000 1.140 37 L CA 0.806 55.836 54.840 0.316 0.000 0.842 37 L CB -0.030 42.150 42.059 0.202 0.000 0.953 37 L HN 0.133 nan 8.230 nan 0.000 0.452 38 V N -0.295 119.688 119.914 0.114 0.000 2.932 38 V HA 0.266 4.385 4.120 -0.001 0.000 0.307 38 V C -0.859 175.242 176.094 0.012 0.000 1.147 38 V CA -0.940 61.399 62.300 0.066 0.000 0.951 38 V CB 2.943 34.633 31.823 -0.221 0.000 1.031 38 V HN 0.011 nan 8.190 nan 0.000 0.426 39 K N 3.322 123.746 120.400 0.040 0.000 2.159 39 K HA 0.495 4.814 4.320 -0.001 0.000 0.266 39 K C -1.199 175.403 176.600 0.003 0.000 0.975 39 K CA -0.550 55.666 56.287 -0.119 0.000 0.865 39 K CB 1.165 33.473 32.500 -0.320 0.000 1.087 39 K HN 0.624 nan 8.250 nan 0.000 0.446 40 Y N 3.122 123.351 120.300 -0.119 0.000 2.346 40 Y HA 0.102 4.652 4.550 -0.001 0.000 0.330 40 Y C -0.479 175.400 175.900 -0.035 0.000 1.178 40 Y CA 0.273 58.331 58.100 -0.070 0.000 1.331 40 Y CB 0.826 39.242 38.460 -0.073 0.000 1.253 40 Y HN 0.509 nan 8.280 nan 0.000 0.529 41 Q N 3.872 123.149 119.800 -0.872 0.000 2.348 41 Q HA 0.499 4.838 4.340 -0.001 0.000 0.271 41 Q C 0.604 176.072 176.000 -0.885 0.000 1.067 41 Q CA -0.076 55.349 55.803 -0.630 0.000 0.839 41 Q CB 2.035 30.602 28.738 -0.286 0.000 1.354 41 Q HN 0.902 nan 8.270 nan 0.000 0.447 42 A N 1.942 124.514 122.820 -0.413 0.000 1.908 42 A HA -0.218 4.101 4.320 -0.001 0.000 0.218 42 A C 1.271 178.751 177.584 -0.173 0.000 1.181 42 A CA 2.255 54.152 52.037 -0.233 0.000 0.627 42 A CB -0.480 18.470 19.000 -0.084 0.000 0.818 42 A HN 0.828 nan 8.150 nan 0.000 0.445 43 D N -1.616 118.692 120.400 -0.152 0.000 2.384 43 D HA 0.149 4.789 4.640 -0.001 0.000 0.222 43 D C 1.233 177.490 176.300 -0.070 0.000 0.976 43 D CA 1.308 55.258 54.000 -0.083 0.000 0.915 43 D CB -0.779 39.987 40.800 -0.056 0.000 0.896 43 D HN 0.995 nan 8.370 nan 0.000 0.523 44 G N -0.358 108.355 108.800 -0.146 0.000 2.176 44 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.232 44 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.232 44 G C 0.543 175.461 174.900 0.031 0.000 0.986 44 G CA 0.610 45.723 45.100 0.021 0.000 0.643 44 G HN 0.817 nan 8.290 nan 0.000 0.522 45 S N -1.265 114.394 115.700 -0.067 0.000 2.546 45 S HA 0.808 5.277 4.470 -0.001 0.000 0.265 45 S C 0.082 174.683 174.600 0.001 0.000 1.190 45 S CA 0.058 58.259 58.200 0.003 0.000 1.014 45 S CB 2.085 65.294 63.200 0.015 0.000 1.087 45 S HN 1.228 nan 8.310 nan 0.000 0.525 46 V N 1.010 120.958 119.914 0.058 0.000 2.817 46 V HA 0.454 4.573 4.120 -0.001 0.000 0.303 46 V C -0.743 175.458 176.094 0.179 0.000 1.151 46 V CA -0.710 61.637 62.300 0.078 0.000 0.929 46 V CB 1.648 33.483 31.823 0.020 0.000 1.030 46 V HN 0.933 nan 8.190 nan 0.000 0.427 47 I N 2.580 123.268 120.570 0.196 0.000 2.562 47 I HA 0.759 4.928 4.170 -0.001 0.000 0.301 47 I C -2.699 173.668 176.117 0.416 0.000 1.003 47 I CA -2.755 58.722 61.300 0.294 0.000 1.127 47 I CB 2.201 40.347 38.000 0.243 0.000 1.304 47 I HN 0.344 nan 8.210 nan 0.000 0.446 48 P HA -0.004 nan 4.420 nan 0.000 0.266 48 P C -0.973 176.651 177.300 0.540 0.000 1.193 48 P CA 0.200 63.609 63.100 0.514 0.000 0.770 48 P CB 0.533 32.406 31.700 0.288 0.000 0.836 49 W N 2.375 123.809 121.300 0.224 0.000 4.473 49 W HA 0.104 4.764 4.660 -0.001 0.000 0.588 49 W C 0.886 177.403 176.519 -0.004 0.000 3.455 49 W CA -0.143 57.336 57.345 0.223 0.000 1.134 49 W CB -0.435 29.171 29.460 0.244 0.000 2.128 49 W HN -0.073 nan 8.180 nan 0.000 0.355 50 L N 1.933 123.243 121.223 0.144 0.000 2.556 50 L HA 0.033 4.372 4.340 -0.001 0.000 0.230 50 L C 0.666 177.522 176.870 -0.024 0.000 1.163 50 L CA 1.492 56.196 54.840 -0.225 0.000 0.819 50 L CB -1.477 40.540 42.059 -0.070 0.000 0.939 50 L HN 0.224 nan 8.230 nan 0.000 0.452 51 A N -1.678 121.220 122.820 0.131 0.000 2.365 51 A HA 0.487 4.807 4.320 -0.001 0.000 0.318 51 A C 0.931 178.640 177.584 0.208 0.000 1.091 51 A CA -0.605 51.562 52.037 0.217 0.000 0.763 51 A CB 1.282 20.471 19.000 0.315 0.000 1.248 51 A HN 0.083 nan 8.150 nan 0.000 0.442 52 K N 0.420 120.906 120.400 0.143 0.000 2.262 52 K HA 0.256 4.575 4.320 -0.001 0.000 0.200 52 K C 0.168 176.741 176.600 -0.045 0.000 1.058 52 K CA 1.064 57.385 56.287 0.056 0.000 0.974 52 K CB 0.339 32.838 32.500 -0.001 0.000 0.910 52 K HN 0.620 nan 8.250 nan 0.000 0.484 53 S N 0.367 116.052 115.700 -0.026 0.000 2.649 53 S HA 0.418 4.887 4.470 -0.001 0.000 0.274 53 S C -1.789 172.801 174.600 -0.018 0.000 1.176 53 S CA -1.005 57.046 58.200 -0.247 0.000 0.988 53 S CB 0.282 63.361 63.200 -0.202 0.000 1.071 53 S HN 0.352 nan 8.310 nan 0.000 0.478 54 W N 2.380 123.811 121.300 0.218 0.000 2.671 54 W HA 0.883 5.542 4.660 -0.001 0.000 0.360 54 W C -0.236 176.385 176.519 0.170 0.000 1.128 54 W CA -0.902 56.638 57.345 0.326 0.000 1.184 54 W CB 0.502 30.367 29.460 0.675 0.000 1.415 54 W HN 0.562 nan 8.180 nan 0.000 0.604 55 T N 0.056 114.844 114.554 0.391 0.000 2.821 55 T HA 0.469 4.818 4.350 -0.001 0.000 0.306 55 T C -1.386 173.331 174.700 0.028 0.000 1.313 55 T CA -0.707 61.458 62.100 0.109 0.000 1.012 55 T CB 0.946 69.834 68.868 0.033 0.000 1.298 55 T HN 0.839 nan 8.240 nan 0.000 0.502 56 H N -0.781 118.129 119.070 -0.266 0.000 2.946 56 H HA 0.796 5.351 4.556 -0.001 0.000 0.365 56 H C -0.273 174.834 175.328 -0.368 0.000 1.197 56 H CA -1.161 54.518 56.048 -0.614 0.000 1.131 56 H CB 1.347 30.182 29.762 -1.545 0.000 1.849 56 H HN 0.626 nan 8.280 nan 0.000 0.555 57 S N 0.492 116.030 115.700 -0.270 0.000 2.624 57 S HA -0.004 4.465 4.470 -0.001 0.000 0.263 57 S C 0.700 175.101 174.600 -0.332 0.000 1.287 57 S CA -0.544 57.530 58.200 -0.209 0.000 0.990 57 S CB 1.276 64.389 63.200 -0.145 0.000 0.950 57 S HN 0.775 nan 8.310 nan 0.000 0.561 58 E N 0.973 121.051 120.200 -0.203 0.000 2.268 58 E HA -0.089 4.260 4.350 -0.001 0.000 0.195 58 E C 1.467 177.956 176.600 -0.186 0.000 0.995 58 E CA 1.213 57.496 56.400 -0.194 0.000 0.836 58 E CB -0.229 29.411 29.700 -0.100 0.000 0.763 58 E HN 0.793 nan 8.360 nan 0.000 0.491 59 D N -1.087 119.223 120.400 -0.149 0.000 2.347 59 D HA 0.008 4.648 4.640 -0.001 0.000 0.213 59 D C 1.104 177.357 176.300 -0.078 0.000 0.985 59 D CA 0.823 54.767 54.000 -0.093 0.000 0.879 59 D CB -0.185 40.582 40.800 -0.055 0.000 0.919 59 D HN 0.150 nan 8.370 nan 0.000 0.526 60 G N 2.052 110.744 108.800 -0.179 0.000 2.221 60 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.265 60 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.265 60 G C 0.682 175.750 174.900 0.280 0.000 1.041 60 G CA 0.825 45.876 45.100 -0.082 0.000 0.807 60 G HN 0.633 nan 8.290 nan 0.000 0.502 61 K N -1.809 118.684 120.400 0.156 0.000 2.450 61 K HA 0.254 4.574 4.320 -0.001 0.000 0.206 61 K C 0.281 177.024 176.600 0.238 0.000 1.148 61 K CA 0.411 56.837 56.287 0.232 0.000 1.014 61 K CB 0.661 33.214 32.500 0.088 0.000 0.966 61 K HN 0.150 nan 8.250 nan 0.000 0.566 62 T N 2.098 116.719 114.554 0.111 0.000 2.853 62 T HA 0.302 4.651 4.350 -0.001 0.000 0.317 62 T C -1.685 173.036 174.700 0.035 0.000 1.059 62 T CA -0.481 61.660 62.100 0.067 0.000 0.954 62 T CB 0.046 68.900 68.868 -0.023 0.000 0.994 62 T HN 0.164 nan 8.240 nan 0.000 0.479 63 W N 2.538 123.812 121.300 -0.042 0.000 2.529 63 W HA 0.488 5.147 4.660 -0.001 0.000 0.321 63 W C 0.101 176.370 176.519 -0.416 0.000 1.047 63 W CA -0.882 56.438 57.345 -0.041 0.000 1.216 63 W CB 1.026 30.636 29.460 0.251 0.000 1.357 63 W HN 0.406 nan 8.180 nan 0.000 0.489 64 T N 1.363 115.839 114.554 -0.130 0.000 2.864 64 T HA 0.571 4.921 4.350 -0.001 0.000 0.310 64 T C -0.846 173.832 174.700 -0.037 0.000 1.040 64 T CA -0.790 61.177 62.100 -0.221 0.000 0.977 64 T CB 0.075 68.905 68.868 -0.064 0.000 0.976 64 T HN 0.029 nan 8.240 nan 0.000 0.459 65 F N 1.057 121.187 119.950 0.301 0.000 2.385 65 F HA 0.518 5.044 4.527 -0.001 0.000 0.336 65 F C 1.004 176.931 175.800 0.211 0.000 1.100 65 F CA -1.296 56.911 58.000 0.344 0.000 1.116 65 F CB 0.737 39.950 39.000 0.355 0.000 1.166 65 F HN 0.343 nan 8.300 nan 0.000 0.511 66 T N 4.925 119.699 114.554 0.368 0.000 2.832 66 T HA 0.435 4.784 4.350 -0.001 0.000 0.313 66 T C 0.987 175.797 174.700 0.183 0.000 1.035 66 T CA -0.488 61.729 62.100 0.194 0.000 0.950 66 T CB -0.061 68.871 68.868 0.107 0.000 0.984 66 T HN 0.366 nan 8.240 nan 0.000 0.486 67 L N 2.206 123.526 121.223 0.162 0.000 2.238 67 L HA 0.278 4.617 4.340 -0.001 0.000 0.163 67 L C 1.189 178.083 176.870 0.041 0.000 0.795 67 L CA -0.038 54.881 54.840 0.131 0.000 1.402 67 L CB 0.042 42.172 42.059 0.118 0.000 1.595 67 L HN 0.374 nan 8.230 nan 0.000 0.431 68 R N 0.638 121.140 120.500 0.003 0.000 2.473 68 R HA 0.095 4.435 4.340 -0.001 0.000 0.303 68 R C -0.380 175.899 176.300 -0.036 0.000 1.002 68 R CA -0.355 55.697 56.100 -0.078 0.000 0.884 68 R CB 0.967 31.104 30.300 -0.272 0.000 1.173 68 R HN 0.586 nan 8.270 nan 0.000 0.464 69 D N 1.949 122.334 120.400 -0.026 0.000 2.370 69 D HA -0.100 4.539 4.640 -0.001 0.000 0.256 69 D C -0.492 175.803 176.300 -0.009 0.000 1.197 69 D CA 0.271 54.265 54.000 -0.010 0.000 0.922 69 D CB 0.074 40.868 40.800 -0.009 0.000 0.911 69 D HN 0.554 nan 8.370 nan 0.000 0.517 70 D N -1.302 119.081 120.400 -0.029 0.000 3.100 70 D HA 0.226 4.865 4.640 -0.001 0.000 0.350 70 D C -1.033 175.244 176.300 -0.039 0.000 1.310 70 D CA -0.718 53.271 54.000 -0.019 0.000 0.741 70 D CB 0.281 41.072 40.800 -0.015 0.000 1.248 70 D HN -0.073 nan 8.370 nan 0.000 0.527 71 V N 0.658 120.556 119.914 -0.026 0.000 2.524 71 V HA 0.421 4.540 4.120 -0.001 0.000 0.297 71 V C -0.402 175.754 176.094 0.104 0.000 1.035 71 V CA -0.708 61.550 62.300 -0.069 0.000 0.867 71 V CB 1.921 33.496 31.823 -0.414 0.000 1.004 71 V HN 0.170 nan 8.190 nan 0.000 0.426 72 K N 3.829 124.311 120.400 0.136 0.000 2.207 72 K HA 0.653 4.973 4.320 -0.001 0.000 0.255 72 K C -0.478 176.297 176.600 0.293 0.000 0.941 72 K CA -0.651 55.788 56.287 0.254 0.000 0.825 72 K CB 1.945 34.553 32.500 0.180 0.000 1.119 72 K HN 0.324 nan 8.250 nan 0.000 0.430 73 F N 0.828 120.861 119.950 0.139 0.000 2.142 73 F HA -0.135 4.391 4.527 -0.001 0.000 0.262 73 F C 1.871 177.747 175.800 0.127 0.000 1.157 73 F CA 0.585 58.676 58.000 0.151 0.000 1.267 73 F CB 0.067 39.160 39.000 0.156 0.000 1.637 73 F HN 0.535 nan 8.300 nan 0.000 0.484 74 S N -0.933 114.975 115.700 0.347 0.000 2.506 74 S HA 0.249 4.719 4.470 -0.001 0.000 0.245 74 S C -0.119 174.582 174.600 0.169 0.000 1.088 74 S CA 0.131 58.450 58.200 0.199 0.000 1.099 74 S CB -0.938 62.346 63.200 0.141 0.000 0.805 74 S HN 0.735 nan 8.310 nan 0.000 0.461 75 N N -0.965 117.843 118.700 0.181 0.000 2.011 75 N HA 0.334 5.073 4.740 -0.001 0.000 0.254 75 N C 1.030 176.594 175.510 0.090 0.000 1.205 75 N CA 0.391 53.508 53.050 0.113 0.000 0.783 75 N CB 0.025 38.570 38.487 0.096 0.000 1.472 75 N HN 0.426 nan 8.380 nan 0.000 0.524 76 G N -0.079 108.794 108.800 0.122 0.000 3.134 76 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.195 76 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.195 76 G C -0.754 174.198 174.900 0.086 0.000 1.054 76 G CA -0.235 44.920 45.100 0.091 0.000 0.828 76 G HN 0.276 nan 8.290 nan 0.000 0.462 77 E N 3.044 123.259 120.200 0.025 0.000 2.508 77 E HA 0.246 4.596 4.350 -0.001 0.000 0.266 77 E C -2.010 174.622 176.600 0.054 0.000 1.010 77 E CA -0.390 55.968 56.400 -0.070 0.000 0.955 77 E CB 0.786 30.302 29.700 -0.307 0.000 0.946 77 E HN 0.336 nan 8.360 nan 0.000 0.454 78 P HA 0.056 nan 4.420 nan 0.000 0.276 78 P C -1.064 176.440 177.300 0.340 0.000 1.252 78 P CA -0.147 63.058 63.100 0.176 0.000 0.802 78 P CB 0.508 32.249 31.700 0.069 0.000 1.035 79 F N 2.348 122.448 119.950 0.250 0.000 2.430 79 F HA 0.326 4.853 4.527 -0.001 0.000 0.362 79 F C -0.814 175.024 175.800 0.064 0.000 1.103 79 F CA -0.540 57.629 58.000 0.282 0.000 1.045 79 F CB 0.589 39.683 39.000 0.157 0.000 1.276 79 F HN 0.195 nan 8.300 nan 0.000 0.444 80 D N 3.512 123.651 120.400 -0.434 0.000 2.687 80 D HA 0.433 5.073 4.640 -0.001 0.000 0.264 80 D C 0.692 176.702 176.300 -0.484 0.000 1.091 80 D CA -0.499 53.283 54.000 -0.362 0.000 1.123 80 D CB 0.929 41.635 40.800 -0.156 0.000 1.407 80 D HN 0.411 nan 8.370 nan 0.000 0.591 81 A N -0.652 122.011 122.820 -0.261 0.000 2.131 81 A HA -0.191 4.128 4.320 -0.001 0.000 0.220 81 A C 1.754 179.254 177.584 -0.141 0.000 1.158 81 A CA 1.385 53.314 52.037 -0.180 0.000 0.665 81 A CB -0.702 18.251 19.000 -0.078 0.000 0.795 81 A HN 0.552 nan 8.150 nan 0.000 0.460 82 E N 0.180 120.292 120.200 -0.146 0.000 2.030 82 E HA -0.020 4.330 4.350 -0.001 0.000 0.189 82 E C 2.324 178.877 176.600 -0.078 0.000 0.974 82 E CA 1.087 57.436 56.400 -0.085 0.000 0.807 82 E CB -0.389 29.266 29.700 -0.076 0.000 0.771 82 E HN 0.429 nan 8.360 nan 0.000 0.451 83 A N 1.533 124.264 122.820 -0.148 0.000 1.948 83 A HA -0.166 4.153 4.320 -0.001 0.000 0.220 83 A C 2.412 180.001 177.584 0.009 0.000 1.177 83 A CA 2.438 54.425 52.037 -0.082 0.000 0.636 83 A CB -0.733 18.227 19.000 -0.066 0.000 0.815 83 A HN 0.347 nan 8.150 nan 0.000 0.449 84 A N -0.155 122.534 122.820 -0.218 0.000 1.858 84 A HA 0.155 4.475 4.320 -0.001 0.000 0.216 84 A C 2.549 180.351 177.584 0.363 0.000 1.190 84 A CA 2.223 54.194 52.037 -0.111 0.000 0.617 84 A CB -1.181 17.574 19.000 -0.409 0.000 0.827 84 A HN 1.161 nan 8.150 nan 0.000 0.443 85 A N -0.536 122.442 122.820 0.262 0.000 1.978 85 A HA -0.181 4.139 4.320 -0.001 0.000 0.220 85 A C 1.915 179.710 177.584 0.352 0.000 1.170 85 A CA 2.215 54.450 52.037 0.329 0.000 0.636 85 A CB -0.512 18.576 19.000 0.146 0.000 0.810 85 A HN 0.542 nan 8.150 nan 0.000 0.448 86 E N 0.731 121.110 120.200 0.299 0.000 2.160 86 E HA -0.167 4.182 4.350 -0.001 0.000 0.195 86 E C 1.838 178.810 176.600 0.620 0.000 0.991 86 E CA 1.650 58.275 56.400 0.375 0.000 0.810 86 E CB -0.203 29.617 29.700 0.201 0.000 0.742 86 E HN 0.653 nan 8.360 nan 0.000 0.466 87 N N -0.751 118.325 118.700 0.628 0.000 2.148 87 N HA -0.102 4.638 4.740 -0.001 0.000 0.186 87 N C 1.662 177.320 175.510 0.247 0.000 1.031 87 N CA 0.918 54.327 53.050 0.598 0.000 0.848 87 N CB -0.492 38.401 38.487 0.676 0.000 1.005 87 N HN 0.167 nan 8.380 nan 0.000 0.427 88 F N 2.203 122.290 119.950 0.228 0.000 2.087 88 F HA -0.200 4.326 4.527 -0.001 0.000 0.299 88 F C 2.706 178.521 175.800 0.025 0.000 1.100 88 F CA 1.439 59.467 58.000 0.046 0.000 1.226 88 F CB -0.337 38.700 39.000 0.062 0.000 0.983 88 F HN 0.037 nan 8.300 nan 0.000 0.479 89 R N 0.281 120.957 120.500 0.293 0.000 2.082 89 R HA -0.190 4.150 4.340 -0.001 0.000 0.234 89 R C 2.402 178.778 176.300 0.126 0.000 1.136 89 R CA 1.528 57.744 56.100 0.193 0.000 0.935 89 R CB -0.741 29.679 30.300 0.201 0.000 0.842 89 R HN 0.257 nan 8.270 nan 0.000 0.430 90 A N 0.321 123.205 122.820 0.106 0.000 1.997 90 A HA -0.159 4.161 4.320 -0.001 0.000 0.221 90 A C 2.239 179.834 177.584 0.019 0.000 1.172 90 A CA 1.956 53.982 52.037 -0.018 0.000 0.645 90 A CB -0.559 18.243 19.000 -0.329 0.000 0.813 90 A HN 0.276 nan 8.150 nan 0.000 0.454 91 V N -0.148 119.725 119.914 -0.069 0.000 2.239 91 V HA -0.225 3.895 4.120 -0.001 0.000 0.242 91 V C 2.441 178.589 176.094 0.090 0.000 1.038 91 V CA 1.803 64.021 62.300 -0.136 0.000 1.002 91 V CB -1.018 30.539 31.823 -0.442 0.000 0.641 91 V HN 0.567 nan 8.190 nan 0.000 0.449 92 L N 0.382 121.661 121.223 0.092 0.000 2.263 92 L HA -0.232 4.108 4.340 -0.001 0.000 0.216 92 L C 1.858 178.804 176.870 0.125 0.000 1.111 92 L CA 1.275 56.199 54.840 0.140 0.000 0.773 92 L CB -0.820 41.312 42.059 0.122 0.000 0.906 92 L HN 0.372 nan 8.230 nan 0.000 0.439 93 D N -0.487 119.977 120.400 0.107 0.000 2.392 93 D HA -0.102 4.537 4.640 -0.001 0.000 0.228 93 D C 1.174 177.525 176.300 0.086 0.000 1.003 93 D CA 0.685 54.736 54.000 0.085 0.000 0.917 93 D CB -0.139 40.705 40.800 0.073 0.000 0.890 93 D HN 0.184 nan 8.370 nan 0.000 0.532 94 N N -0.198 118.579 118.700 0.127 0.000 2.301 94 N HA 0.045 4.784 4.740 -0.001 0.000 0.247 94 N C 1.119 176.680 175.510 0.085 0.000 1.347 94 N CA -0.185 52.919 53.050 0.090 0.000 0.844 94 N CB 0.235 38.785 38.487 0.104 0.000 1.332 94 N HN -0.080 nan 8.380 nan 0.000 0.494 95 R N 0.631 121.222 120.500 0.151 0.000 2.196 95 R HA -0.257 4.082 4.340 -0.001 0.000 0.259 95 R C 1.628 177.949 176.300 0.035 0.000 1.154 95 R CA 2.191 58.382 56.100 0.153 0.000 0.976 95 R CB -0.041 30.314 30.300 0.091 0.000 0.888 95 R HN 0.400 nan 8.270 nan 0.000 0.453 96 Q N -0.313 119.477 119.800 -0.017 0.000 2.248 96 Q HA -0.249 4.091 4.340 -0.001 0.000 0.208 96 Q C 1.958 177.896 176.000 -0.103 0.000 0.984 96 Q CA 1.801 57.571 55.803 -0.055 0.000 0.875 96 Q CB 0.019 28.725 28.738 -0.052 0.000 0.910 96 Q HN 0.180 nan 8.270 nan 0.000 0.433 97 R N -0.295 120.089 120.500 -0.193 0.000 2.055 97 R HA -0.083 4.256 4.340 -0.001 0.000 0.226 97 R C 1.473 177.651 176.300 -0.203 0.000 1.135 97 R CA 1.726 57.655 56.100 -0.284 0.000 0.959 97 R CB -0.254 29.776 30.300 -0.451 0.000 0.854 97 R HN 0.410 nan 8.270 nan 0.000 0.431 98 H N 0.090 119.212 119.070 0.087 0.000 2.562 98 H HA 0.180 4.735 4.556 -0.001 0.000 0.274 98 H C 1.180 176.305 175.328 -0.337 0.000 1.038 98 H CA 0.699 56.718 56.048 -0.047 0.000 1.161 98 H CB -0.140 29.601 29.762 -0.035 0.000 1.318 98 H HN 0.346 nan 8.280 nan 0.000 0.617 99 A N 1.726 124.484 122.820 -0.104 0.000 2.121 99 A HA -0.120 4.200 4.320 -0.001 0.000 0.218 99 A C 2.169 179.679 177.584 -0.124 0.000 1.154 99 A CA 0.643 52.614 52.037 -0.111 0.000 0.679 99 A CB -0.885 18.082 19.000 -0.056 0.000 0.795 99 A HN 0.683 nan 8.150 nan 0.000 0.458 100 W N -1.312 119.998 121.300 0.018 0.000 2.436 100 W HA 0.169 4.828 4.660 -0.001 0.000 0.284 100 W C 0.261 176.849 176.519 0.114 0.000 1.225 100 W CA -0.013 57.370 57.345 0.064 0.000 1.271 100 W CB -0.904 28.616 29.460 0.100 0.000 1.114 100 W HN 0.250 nan 8.180 nan 0.000 0.559 101 L N 2.925 123.393 121.223 -1.258 0.000 2.265 101 L HA 0.166 4.505 4.340 -0.001 0.000 0.288 101 L C 1.450 178.060 176.870 -0.433 0.000 1.058 101 L CA -0.065 54.159 54.840 -1.027 0.000 0.809 101 L CB 1.279 42.431 42.059 -1.512 0.000 1.179 101 L HN -0.145 nan 8.230 nan 0.000 0.429 102 E N 3.450 123.529 120.200 -0.202 0.000 2.265 102 E HA -0.182 4.167 4.350 -0.001 0.000 0.196 102 E C 1.491 177.872 176.600 -0.365 0.000 0.996 102 E CA 1.321 57.594 56.400 -0.211 0.000 0.832 102 E CB -0.107 29.535 29.700 -0.095 0.000 0.756 102 E HN 0.780 nan 8.360 nan 0.000 0.491 103 L N -0.673 120.435 121.223 -0.190 0.000 2.291 103 L HA 0.018 4.357 4.340 -0.001 0.000 0.214 103 L C 2.023 178.942 176.870 0.080 0.000 1.120 103 L CA 0.942 55.749 54.840 -0.055 0.000 0.799 103 L CB -0.327 41.974 42.059 0.404 0.000 0.925 103 L HN 0.257 nan 8.230 nan 0.000 0.446 104 A N 0.747 123.588 122.820 0.035 0.000 2.019 104 A HA -0.170 4.149 4.320 -0.001 0.000 0.219 104 A C 1.348 178.956 177.584 0.040 0.000 1.164 104 A CA 1.550 53.661 52.037 0.124 0.000 0.644 104 A CB -0.452 18.562 19.000 0.024 0.000 0.805 104 A HN 0.719 nan 8.150 nan 0.000 0.449 105 N N -1.446 117.216 118.700 -0.064 0.000 2.458 105 N HA 0.118 4.857 4.740 -0.001 0.000 0.274 105 N C 0.209 175.641 175.510 -0.131 0.000 1.242 105 N CA -0.184 52.820 53.050 -0.076 0.000 0.904 105 N CB 0.629 39.070 38.487 -0.077 0.000 1.206 105 N HN 0.341 nan 8.380 nan 0.000 0.510 106 Q N 0.222 119.927 119.800 -0.158 0.000 2.471 106 Q HA 0.367 4.707 4.340 -0.001 0.000 0.259 106 Q C 0.422 176.324 176.000 -0.164 0.000 0.850 106 Q CA 0.125 55.796 55.803 -0.220 0.000 0.981 106 Q CB 1.233 29.732 28.738 -0.399 0.000 1.180 106 Q HN 0.404 nan 8.270 nan 0.000 0.571 107 I N 2.160 122.658 120.570 -0.121 0.000 2.494 107 I HA -0.042 4.127 4.170 -0.001 0.000 0.289 107 I C 1.474 177.543 176.117 -0.080 0.000 1.106 107 I CA -0.188 61.041 61.300 -0.118 0.000 1.369 107 I CB 0.798 38.745 38.000 -0.088 0.000 1.410 107 I HN -0.156 nan 8.210 nan 0.000 0.523 108 V N 5.078 124.939 119.914 -0.088 0.000 2.302 108 V HA -0.080 4.040 4.120 -0.001 0.000 0.243 108 V C 0.601 176.665 176.094 -0.050 0.000 1.036 108 V CA 1.518 63.783 62.300 -0.058 0.000 1.020 108 V CB -0.573 31.218 31.823 -0.055 0.000 0.657 108 V HN 0.968 nan 8.190 nan 0.000 0.453 109 D N -1.814 118.542 120.400 -0.073 0.000 2.623 109 D HA 0.300 4.939 4.640 -0.001 0.000 0.241 109 D C -1.490 174.739 176.300 -0.118 0.000 1.241 109 D CA -0.325 53.636 54.000 -0.066 0.000 0.788 109 D CB 2.536 43.311 40.800 -0.042 0.000 1.413 109 D HN -0.060 nan 8.370 nan 0.000 0.429 110 V N 1.096 120.945 119.914 -0.108 0.000 2.340 110 V HA 0.294 4.413 4.120 -0.001 0.000 0.277 110 V C 0.065 176.115 176.094 -0.073 0.000 1.017 110 V CA -0.777 61.425 62.300 -0.164 0.000 0.820 110 V CB 1.006 32.669 31.823 -0.268 0.000 1.028 110 V HN 0.367 nan 8.190 nan 0.000 0.436 111 K N 2.786 123.142 120.400 -0.073 0.000 2.249 111 K HA 0.641 4.960 4.320 -0.001 0.000 0.280 111 K C 0.422 177.000 176.600 -0.037 0.000 1.033 111 K CA -0.218 56.043 56.287 -0.042 0.000 0.946 111 K CB 1.585 34.059 32.500 -0.043 0.000 1.005 111 K HN 0.720 nan 8.250 nan 0.000 0.469 112 A N 4.718 127.526 122.820 -0.019 0.000 3.015 112 A HA 0.089 4.409 4.320 -0.001 0.000 0.293 112 A C 1.162 178.731 177.584 -0.026 0.000 1.572 112 A CA -0.293 51.732 52.037 -0.021 0.000 1.274 112 A CB -0.552 18.439 19.000 -0.016 0.000 1.156 112 A HN 0.997 nan 8.150 nan 0.000 0.562 113 L N 1.765 122.971 121.223 -0.029 0.000 2.054 113 L HA -0.323 4.016 4.340 -0.001 0.000 0.220 113 L C 1.723 178.579 176.870 -0.023 0.000 1.081 113 L CA 2.585 57.409 54.840 -0.026 0.000 0.780 113 L CB 0.054 42.098 42.059 -0.026 0.000 0.893 113 L HN 0.809 nan 8.230 nan 0.000 0.438 114 S N -2.574 113.111 115.700 -0.025 0.000 4.084 114 S HA 0.173 4.642 4.470 -0.001 0.000 0.204 114 S C 0.621 175.199 174.600 -0.037 0.000 1.203 114 S CA -0.186 57.998 58.200 -0.026 0.000 1.278 114 S CB 0.353 63.541 63.200 -0.020 0.000 1.884 114 S HN 0.255 nan 8.310 nan 0.000 0.706 115 K N 0.563 120.940 120.400 -0.037 0.000 2.474 115 K HA 0.210 4.530 4.320 -0.001 0.000 0.204 115 K C 1.346 177.912 176.600 -0.057 0.000 1.220 115 K CA 1.035 57.290 56.287 -0.053 0.000 0.966 115 K CB 0.374 32.850 32.500 -0.040 0.000 1.049 115 K HN 0.629 nan 8.250 nan 0.000 0.554 116 T N -1.372 113.163 114.554 -0.030 0.000 2.975 116 T HA 0.189 4.538 4.350 -0.001 0.000 0.257 116 T C -0.031 174.678 174.700 0.015 0.000 1.003 116 T CA -0.363 61.731 62.100 -0.011 0.000 0.932 116 T CB 0.239 69.107 68.868 -0.000 0.000 1.087 116 T HN -0.029 nan 8.240 nan 0.000 0.512 117 E N 1.433 121.636 120.200 0.005 0.000 2.133 117 E HA 0.494 4.844 4.350 -0.001 0.000 0.274 117 E C -1.295 175.310 176.600 0.009 0.000 0.930 117 E CA -0.473 55.939 56.400 0.020 0.000 0.770 117 E CB 2.436 32.138 29.700 0.005 0.000 1.104 117 E HN 0.401 nan 8.360 nan 0.000 0.403 118 L N 2.815 124.061 121.223 0.038 0.000 2.333 118 L HA 0.308 4.648 4.340 -0.001 0.000 0.280 118 L C -0.781 176.026 176.870 -0.105 0.000 1.004 118 L CA -0.816 54.035 54.840 0.020 0.000 0.820 118 L CB 1.564 43.718 42.059 0.158 0.000 1.247 118 L HN 0.333 nan 8.230 nan 0.000 0.416 119 Q N 5.308 125.029 119.800 -0.131 0.000 2.322 119 Q HA 0.588 4.927 4.340 -0.001 0.000 0.265 119 Q C -1.643 174.224 176.000 -0.220 0.000 0.985 119 Q CA -0.129 55.562 55.803 -0.188 0.000 0.849 119 Q CB 1.528 30.199 28.738 -0.112 0.000 1.274 119 Q HN 0.628 nan 8.270 nan 0.000 0.449 120 I N 3.977 124.394 120.570 -0.256 0.000 2.439 120 I HA 0.367 4.536 4.170 -0.001 0.000 0.285 120 I C -0.649 175.403 176.117 -0.108 0.000 1.021 120 I CA -0.851 60.323 61.300 -0.211 0.000 1.091 120 I CB 2.089 40.011 38.000 -0.131 0.000 1.242 120 I HN 0.709 nan 8.210 nan 0.000 0.439 121 T N 5.269 119.753 114.554 -0.117 0.000 2.779 121 T HA 0.740 5.089 4.350 -0.001 0.000 0.280 121 T C -0.337 174.297 174.700 -0.109 0.000 0.987 121 T CA -0.709 61.349 62.100 -0.070 0.000 0.966 121 T CB 1.475 70.310 68.868 -0.056 0.000 0.933 121 T HN 0.282 nan 8.240 nan 0.000 0.442 122 L N 2.174 123.337 121.223 -0.100 0.000 2.331 122 L HA 0.604 4.944 4.340 -0.001 0.000 0.268 122 L C 1.513 178.341 176.870 -0.070 0.000 1.015 122 L CA -1.304 53.453 54.840 -0.138 0.000 0.807 122 L CB 1.186 43.111 42.059 -0.222 0.000 1.293 122 L HN 0.584 nan 8.230 nan 0.000 0.451 123 K N 0.395 120.748 120.400 -0.079 0.000 2.459 123 K HA 0.072 4.391 4.320 -0.001 0.000 0.193 123 K C -0.002 176.589 176.600 -0.015 0.000 1.030 123 K CA 0.452 56.711 56.287 -0.047 0.000 1.026 123 K CB 0.186 32.651 32.500 -0.059 0.000 0.809 123 K HN 0.717 nan 8.250 nan 0.000 0.504 124 S N -2.339 113.363 115.700 0.002 0.000 2.656 124 S HA 0.529 4.999 4.470 -0.001 0.000 0.265 124 S C -1.256 173.428 174.600 0.140 0.000 1.132 124 S CA -0.682 57.559 58.200 0.068 0.000 0.819 124 S CB 0.381 63.632 63.200 0.085 0.000 1.119 124 S HN 0.088 nan 8.310 nan 0.000 0.476 125 A N 1.355 124.308 122.820 0.222 0.000 2.915 125 A HA 0.459 4.778 4.320 -0.001 0.000 0.292 125 A C -0.556 177.284 177.584 0.425 0.000 1.632 125 A CA -0.178 52.067 52.037 0.348 0.000 1.337 125 A CB -1.274 17.924 19.000 0.330 0.000 1.111 125 A HN 0.880 nan 8.150 nan 0.000 0.569 126 Y N 3.970 124.338 120.300 0.114 0.000 2.674 126 Y HA 0.184 4.734 4.550 -0.001 0.000 0.354 126 Y C 1.102 177.037 175.900 0.059 0.000 1.089 126 Y CA -0.935 57.166 58.100 0.002 0.000 1.444 126 Y CB -0.235 38.156 38.460 -0.115 0.000 1.187 126 Y HN 0.754 nan 8.280 nan 0.000 0.523 127 Y N 5.120 125.363 120.300 -0.096 0.000 2.256 127 Y HA 0.011 4.560 4.550 -0.001 0.000 0.288 127 Y C -1.110 174.625 175.900 -0.275 0.000 1.155 127 Y CA 0.459 58.479 58.100 -0.134 0.000 1.203 127 Y CB -1.867 36.470 38.460 -0.204 0.000 0.980 127 Y HN 0.381 nan 8.280 nan 0.000 0.530 128 P HA 0.039 nan 4.420 nan 0.000 0.249 128 P C 1.097 178.144 177.300 -0.422 0.000 1.583 128 P CA -0.184 62.533 63.100 -0.638 0.000 0.988 128 P CB -0.846 30.316 31.700 -0.897 0.000 1.530 129 F N 1.358 121.024 119.950 -0.473 0.000 2.043 129 F HA -0.251 4.275 4.527 -0.001 0.000 0.297 129 F C 1.859 177.532 175.800 -0.212 0.000 1.121 129 F CA 1.265 59.143 58.000 -0.203 0.000 1.199 129 F CB -0.282 38.486 39.000 -0.387 0.000 0.968 129 F HN -0.209 nan 8.300 nan 0.000 0.478 130 L N 0.002 120.914 121.223 -0.519 0.000 2.017 130 L HA -0.244 4.095 4.340 -0.001 0.000 0.208 130 L C 2.502 179.184 176.870 -0.312 0.000 1.073 130 L CA 1.192 55.659 54.840 -0.622 0.000 0.745 130 L CB -0.884 40.854 42.059 -0.535 0.000 0.894 130 L HN 0.197 nan 8.230 nan 0.000 0.432 131 Q N 0.353 120.043 119.800 -0.183 0.000 2.045 131 Q HA -0.237 4.102 4.340 -0.001 0.000 0.206 131 Q C 2.137 178.065 176.000 -0.121 0.000 0.991 131 Q CA 1.876 57.604 55.803 -0.125 0.000 0.851 131 Q CB -0.217 28.438 28.738 -0.139 0.000 0.911 131 Q HN 0.473 nan 8.270 nan 0.000 0.418 132 E N -0.474 119.705 120.200 -0.035 0.000 2.204 132 E HA -0.143 4.206 4.350 -0.001 0.000 0.194 132 E C 1.595 178.244 176.600 0.082 0.000 0.989 132 E CA 0.473 56.893 56.400 0.034 0.000 0.824 132 E CB -0.091 29.716 29.700 0.178 0.000 0.756 132 E HN 0.155 nan 8.360 nan 0.000 0.477 133 L N 0.305 121.590 121.223 0.103 0.000 2.465 133 L HA 0.003 4.342 4.340 -0.001 0.000 0.224 133 L C 1.740 178.643 176.870 0.054 0.000 1.145 133 L CA 1.018 55.976 54.840 0.196 0.000 0.834 133 L CB -0.078 41.866 42.059 -0.192 0.000 0.944 133 L HN -0.019 nan 8.230 nan 0.000 0.451 134 A N -1.430 121.364 122.820 -0.043 0.000 2.387 134 A HA 0.321 4.641 4.320 -0.001 0.000 0.234 134 A C 0.747 178.292 177.584 -0.065 0.000 1.253 134 A CA -0.358 51.646 52.037 -0.055 0.000 0.894 134 A CB -0.338 18.633 19.000 -0.049 0.000 0.963 134 A HN 0.260 nan 8.150 nan 0.000 0.508 135 L N -0.909 120.270 121.223 -0.073 0.000 2.456 135 L HA 0.216 4.556 4.340 -0.001 0.000 0.257 135 L C -1.476 175.387 176.870 -0.011 0.000 1.162 135 L CA -1.912 52.891 54.840 -0.061 0.000 0.808 135 L CB 0.180 42.215 42.059 -0.040 0.000 1.136 135 L HN -0.022 nan 8.230 nan 0.000 0.466 136 P HA -0.149 nan 4.420 nan 0.000 0.218 136 P C -0.537 176.739 177.300 -0.040 0.000 1.146 136 P CA 1.454 64.563 63.100 0.015 0.000 0.820 136 P CB 0.155 31.879 31.700 0.040 0.000 0.778 137 R N -3.804 116.660 120.500 -0.060 0.000 2.728 137 R HA 0.303 4.643 4.340 -0.001 0.000 0.274 137 R C -2.891 173.298 176.300 -0.185 0.000 1.032 137 R CA -1.397 54.607 56.100 -0.161 0.000 0.866 137 R CB -0.258 29.892 30.300 -0.251 0.000 1.263 137 R HN -0.284 nan 8.270 nan 0.000 0.475 138 P HA 0.172 nan 4.420 nan 0.000 0.262 138 P C -0.110 176.998 177.300 -0.320 0.000 1.304 138 P CA 0.134 63.023 63.100 -0.352 0.000 0.859 138 P CB 0.106 31.554 31.700 -0.420 0.000 1.310 139 F N 0.851 120.561 119.950 -0.399 0.000 2.811 139 F HA 0.153 4.679 4.527 -0.001 0.000 0.292 139 F C 1.126 176.455 175.800 -0.786 0.000 1.240 139 F CA -0.693 56.940 58.000 -0.612 0.000 1.422 139 F CB 0.116 38.867 39.000 -0.415 0.000 1.045 139 F HN -0.254 nan 8.300 nan 0.000 0.512 140 R N 0.466 120.695 120.500 -0.452 0.000 2.604 140 R HA 0.416 4.756 4.340 -0.001 0.000 0.287 140 R C -0.894 175.085 176.300 -0.534 0.000 0.970 140 R CA -0.820 54.987 56.100 -0.488 0.000 0.946 140 R CB 1.201 31.433 30.300 -0.114 0.000 1.127 140 R HN -0.013 nan 8.270 nan 0.000 0.473 141 F N 1.778 121.851 119.950 0.206 0.000 2.404 141 F HA 0.500 5.026 4.527 -0.001 0.000 0.339 141 F C 1.127 177.143 175.800 0.360 0.000 1.105 141 F CA -0.659 57.527 58.000 0.310 0.000 1.087 141 F CB 0.771 40.047 39.000 0.460 0.000 1.143 141 F HN 0.325 nan 8.300 nan 0.000 0.491 142 I N 0.874 121.773 120.570 0.547 0.000 4.030 142 I HA 0.813 4.983 4.170 -0.001 0.000 0.248 142 I C -0.609 176.022 176.117 0.856 0.000 1.284 142 I CA -1.334 60.335 61.300 0.615 0.000 1.223 142 I CB 1.588 39.749 38.000 0.269 0.000 1.446 142 I HN 0.625 nan 8.210 nan 0.000 0.519 143 A N 1.925 125.087 122.820 0.570 0.000 2.249 143 A HA 0.509 4.829 4.320 -0.001 0.000 0.314 143 A C -2.114 175.382 177.584 -0.147 0.000 1.290 143 A CA -1.509 50.600 52.037 0.121 0.000 0.893 143 A CB 0.409 19.370 19.000 -0.065 0.000 1.165 143 A HN 0.506 nan 8.150 nan 0.000 0.530 144 P HA -0.255 nan 4.420 nan 0.000 0.217 144 P C 1.745 178.523 177.300 -0.870 0.000 1.148 144 P CA 2.234 64.600 63.100 -1.223 0.000 0.834 144 P CB 0.164 31.479 31.700 -0.642 0.000 0.783 145 S N -1.465 114.001 115.700 -0.390 0.000 2.419 145 S HA -0.160 4.310 4.470 -0.001 0.000 0.233 145 S C 1.643 176.202 174.600 -0.068 0.000 1.016 145 S CA 0.867 58.952 58.200 -0.191 0.000 0.974 145 S CB -1.018 62.094 63.200 -0.147 0.000 0.786 145 S HN 0.117 nan 8.310 nan 0.000 0.492 146 Q N 0.703 120.500 119.800 -0.005 0.000 2.329 146 Q HA 0.325 4.665 4.340 -0.001 0.000 0.208 146 Q C -0.555 175.642 176.000 0.328 0.000 0.934 146 Q CA -0.062 55.830 55.803 0.149 0.000 0.951 146 Q CB -0.608 28.243 28.738 0.189 0.000 1.017 146 Q HN 0.686 nan 8.270 nan 0.000 0.490 147 F N 1.524 121.490 119.950 0.027 0.000 2.438 147 F HA 0.149 4.675 4.527 -0.001 0.000 0.356 147 F C 1.261 177.049 175.800 -0.020 0.000 1.099 147 F CA -0.873 57.141 58.000 0.023 0.000 1.185 147 F CB 0.824 39.864 39.000 0.065 0.000 1.115 147 F HN -0.329 nan 8.300 nan 0.000 0.526 148 K N 5.150 125.628 120.400 0.129 0.000 2.378 148 K HA -0.025 4.294 4.320 -0.001 0.000 0.288 148 K C 0.557 177.159 176.600 0.003 0.000 1.057 148 K CA 0.643 56.954 56.287 0.039 0.000 0.971 148 K CB 0.106 32.615 32.500 0.015 0.000 0.975 148 K HN 0.932 nan 8.250 nan 0.000 0.475 149 N N 2.892 121.540 118.700 -0.087 0.000 3.269 149 N HA -0.276 4.463 4.740 -0.001 0.000 0.207 149 N C -0.353 174.860 175.510 -0.496 0.000 0.452 149 N CA 1.813 54.720 53.050 -0.238 0.000 2.006 149 N CB -0.881 37.566 38.487 -0.067 0.000 1.501 149 N HN 0.834 nan 8.380 nan 0.000 0.369 150 H N 0.714 119.880 119.070 0.160 0.000 3.234 150 H HA 0.351 4.906 4.556 -0.001 0.000 0.253 150 H C -0.320 175.143 175.328 0.226 0.000 1.171 150 H CA -0.137 56.062 56.048 0.252 0.000 0.990 150 H CB 0.678 30.543 29.762 0.172 0.000 2.344 150 H HN 0.337 nan 8.280 nan 0.000 0.713 151 E N 0.288 120.567 120.200 0.132 0.000 2.442 151 E HA 0.385 4.735 4.350 -0.001 0.000 0.261 151 E C 0.622 177.081 176.600 -0.235 0.000 0.935 151 E CA -0.317 56.030 56.400 -0.087 0.000 0.856 151 E CB 1.472 31.174 29.700 0.003 0.000 1.571 151 E HN 0.140 nan 8.360 nan 0.000 0.431 152 T N -3.710 110.715 114.554 -0.215 0.000 3.130 152 T HA 0.221 4.570 4.350 -0.001 0.000 0.288 152 T C 1.427 176.093 174.700 -0.056 0.000 0.936 152 T CA -0.129 61.862 62.100 -0.181 0.000 0.897 152 T CB -0.047 68.640 68.868 -0.303 0.000 1.178 152 T HN 0.159 nan 8.240 nan 0.000 0.543 153 M N 1.939 121.529 119.600 -0.016 0.000 2.159 153 M HA 0.084 4.563 4.480 -0.001 0.000 0.263 153 M C 0.931 177.236 176.300 0.008 0.000 1.063 153 M CA 1.696 57.007 55.300 0.019 0.000 1.110 153 M CB -0.538 32.078 32.600 0.025 0.000 1.374 153 M HN 0.260 nan 8.290 nan 0.000 0.411 154 N N -0.218 118.481 118.700 -0.002 0.000 2.204 154 N HA 0.380 5.120 4.740 -0.001 0.000 0.219 154 N C -0.132 175.375 175.510 -0.005 0.000 1.151 154 N CA 0.013 53.063 53.050 -0.001 0.000 0.867 154 N CB 1.317 39.806 38.487 0.003 0.000 1.043 154 N HN 0.348 nan 8.380 nan 0.000 0.516 155 G N 0.329 109.121 108.800 -0.013 0.000 2.353 155 G HA2 0.341 4.301 3.960 -0.001 0.000 0.308 155 G HA3 0.341 4.301 3.960 -0.001 0.000 0.308 155 G C -2.113 172.779 174.900 -0.012 0.000 1.418 155 G CA -1.036 44.057 45.100 -0.012 0.000 0.966 155 G HN 0.103 nan 8.290 nan 0.000 0.638 156 I N -2.100 118.472 120.570 0.002 0.000 2.894 156 I HA 0.692 4.861 4.170 -0.001 0.000 0.302 156 I C 0.846 176.990 176.117 0.044 0.000 1.188 156 I CA -1.217 60.102 61.300 0.031 0.000 1.014 156 I CB 1.931 39.943 38.000 0.019 0.000 1.242 156 I HN 0.771 nan 8.210 nan 0.000 0.430 157 K N 2.557 122.997 120.400 0.066 0.000 1.973 157 K HA 0.438 4.757 4.320 -0.001 0.000 0.210 157 K C 0.349 176.980 176.600 0.052 0.000 1.045 157 K CA 1.541 57.859 56.287 0.052 0.000 0.937 157 K CB 0.045 32.577 32.500 0.054 0.000 0.721 157 K HN 0.914 nan 8.250 nan 0.000 0.438 158 A N 0.680 123.547 122.820 0.078 0.000 2.486 158 A HA 0.396 4.715 4.320 -0.001 0.000 0.300 158 A C -2.610 175.055 177.584 0.135 0.000 1.048 158 A CA -1.403 50.681 52.037 0.079 0.000 0.696 158 A CB 1.629 20.668 19.000 0.065 0.000 1.278 158 A HN 0.208 nan 8.150 nan 0.000 0.405 159 P HA 0.112 nan 4.420 nan 0.000 0.249 159 P C -0.567 176.857 177.300 0.207 0.000 1.686 159 P CA 0.445 63.689 63.100 0.240 0.000 0.873 159 P CB -0.639 31.127 31.700 0.111 0.000 1.828 160 I N 0.580 121.313 120.570 0.271 0.000 2.347 160 I HA 0.276 4.446 4.170 -0.001 0.000 0.294 160 I C 1.265 177.667 176.117 0.476 0.000 1.090 160 I CA 0.137 61.604 61.300 0.279 0.000 1.314 160 I CB 0.698 38.854 38.000 0.260 0.000 1.423 160 I HN 0.097 nan 8.210 nan 0.000 0.503 161 G N 2.817 111.749 108.800 0.220 0.000 3.140 161 G HA2 0.411 4.371 3.960 -0.001 0.000 0.271 161 G HA3 0.411 4.371 3.960 -0.001 0.000 0.271 161 G C 0.483 175.376 174.900 -0.013 0.000 1.370 161 G CA -0.145 45.073 45.100 0.197 0.000 1.014 161 G HN 0.478 nan 8.290 nan 0.000 0.541 162 T N -2.374 112.083 114.554 -0.161 0.000 3.086 162 T HA 0.350 4.699 4.350 -0.001 0.000 0.250 162 T C 1.195 176.017 174.700 0.204 0.000 1.074 162 T CA 0.561 62.594 62.100 -0.112 0.000 0.988 162 T CB -0.011 68.634 68.868 -0.372 0.000 0.988 162 T HN 0.799 nan 8.240 nan 0.000 0.530 163 G N 2.303 111.175 108.800 0.120 0.000 2.614 163 G HA2 0.366 4.326 3.960 -0.001 0.000 0.239 163 G HA3 0.366 4.326 3.960 -0.001 0.000 0.239 163 G C -1.527 173.315 174.900 -0.097 0.000 1.240 163 G CA -1.248 43.913 45.100 0.103 0.000 0.842 163 G HN 0.069 nan 8.290 nan 0.000 0.584 164 P HA -0.043 nan 4.420 nan 0.000 0.222 164 P C -0.411 176.388 177.300 -0.835 0.000 1.142 164 P CA 0.962 63.439 63.100 -1.037 0.000 0.788 164 P CB 0.173 31.182 31.700 -1.151 0.000 0.767 165 W N -1.165 120.059 121.300 -0.126 0.000 2.902 165 W HA 0.587 5.246 4.660 -0.001 0.000 0.346 165 W C -0.568 175.977 176.519 0.043 0.000 1.139 165 W CA -0.612 56.736 57.345 0.005 0.000 1.139 165 W CB 0.984 30.482 29.460 0.064 0.000 1.439 165 W HN -0.443 nan 8.180 nan 0.000 0.558 166 I N 2.537 123.295 120.570 0.313 0.000 2.500 166 I HA 0.187 4.357 4.170 -0.001 0.000 0.286 166 I C -0.548 175.503 176.117 -0.109 0.000 1.063 166 I CA -0.954 60.395 61.300 0.082 0.000 1.062 166 I CB 1.614 39.637 38.000 0.038 0.000 1.223 166 I HN 0.252 nan 8.210 nan 0.000 0.435 167 L N 6.662 127.645 121.223 -0.399 0.000 2.617 167 L HA 0.042 4.381 4.340 -0.001 0.000 0.282 167 L C 1.412 178.058 176.870 -0.374 0.000 1.174 167 L CA 0.520 54.864 54.840 -0.827 0.000 1.016 167 L CB 0.430 42.052 42.059 -0.728 0.000 1.337 167 L HN 0.832 nan 8.230 nan 0.000 0.460 168 Q N 3.390 123.029 119.800 -0.267 0.000 2.172 168 Q HA -0.050 4.290 4.340 -0.001 0.000 0.200 168 Q C 0.282 176.227 176.000 -0.091 0.000 0.964 168 Q CA 1.073 56.805 55.803 -0.118 0.000 0.855 168 Q CB 0.447 29.153 28.738 -0.053 0.000 0.918 168 Q HN 0.801 nan 8.270 nan 0.000 0.444 169 E N -0.771 119.368 120.200 -0.103 0.000 2.416 169 E HA 0.343 4.692 4.350 -0.001 0.000 0.280 169 E C -1.883 174.749 176.600 0.053 0.000 1.055 169 E CA -0.352 56.043 56.400 -0.009 0.000 0.825 169 E CB 1.678 31.396 29.700 0.030 0.000 1.312 169 E HN 0.141 nan 8.360 nan 0.000 0.452 170 S N 1.946 117.728 115.700 0.137 0.000 2.543 170 S HA 0.659 5.128 4.470 -0.001 0.000 0.274 170 S C -1.710 172.933 174.600 0.070 0.000 1.149 170 S CA -0.998 57.297 58.200 0.158 0.000 0.866 170 S CB 1.871 65.087 63.200 0.026 0.000 1.111 170 S HN 0.458 nan 8.310 nan 0.000 0.457 171 K N 1.613 121.946 120.400 -0.113 0.000 2.507 171 K HA 0.609 4.928 4.320 -0.001 0.000 0.251 171 K C -1.372 175.106 176.600 -0.202 0.000 0.943 171 K CA -0.875 55.240 56.287 -0.286 0.000 0.794 171 K CB 1.433 33.477 32.500 -0.761 0.000 1.188 171 K HN 0.739 nan 8.250 nan 0.000 0.428 172 L N 5.010 126.164 121.223 -0.115 0.000 2.534 172 L HA 0.204 4.543 4.340 -0.001 0.000 0.271 172 L C -0.280 176.546 176.870 -0.073 0.000 1.178 172 L CA 1.201 56.001 54.840 -0.066 0.000 0.907 172 L CB -0.412 41.622 42.059 -0.043 0.000 1.164 172 L HN 0.873 nan 8.230 nan 0.000 0.482 173 N N 3.327 122.005 118.700 -0.036 0.000 2.780 173 N HA -0.192 4.548 4.740 -0.001 0.000 0.248 173 N C 0.127 175.607 175.510 -0.050 0.000 1.102 173 N CA 0.921 53.959 53.050 -0.019 0.000 0.697 173 N CB -0.493 37.983 38.487 -0.018 0.000 1.028 173 N HN 0.748 nan 8.380 nan 0.000 0.554 174 Q N -1.320 118.421 119.800 -0.099 0.000 1.914 174 Q HA 0.220 4.559 4.340 -0.001 0.000 0.153 174 Q C -0.029 175.953 176.000 -0.030 0.000 0.517 174 Q CA 0.802 56.497 55.803 -0.179 0.000 0.790 174 Q CB 0.593 29.005 28.738 -0.543 0.000 0.992 174 Q HN 0.423 nan 8.270 nan 0.000 0.318 175 Y N -1.249 119.115 120.300 0.106 0.000 2.840 175 Y HA 0.729 5.279 4.550 -0.001 0.000 0.324 175 Y C -1.654 174.325 175.900 0.132 0.000 1.378 175 Y CA -1.605 56.581 58.100 0.144 0.000 1.077 175 Y CB 0.784 39.321 38.460 0.127 0.000 1.361 175 Y HN -0.105 nan 8.280 nan 0.000 0.459 176 D N 0.960 121.669 120.400 0.516 0.000 2.318 176 D HA 0.337 4.976 4.640 -0.001 0.000 0.233 176 D C -1.406 175.095 176.300 0.335 0.000 1.348 176 D CA -0.233 53.958 54.000 0.319 0.000 0.983 176 D CB 2.335 43.261 40.800 0.211 0.000 1.416 176 D HN 0.455 nan 8.370 nan 0.000 0.558 177 V N 2.218 122.223 119.914 0.151 0.000 2.488 177 V HA 0.382 4.502 4.120 -0.001 0.000 0.277 177 V C -0.001 176.113 176.094 0.032 0.000 1.046 177 V CA -0.090 62.281 62.300 0.117 0.000 0.986 177 V CB 0.194 31.995 31.823 -0.037 0.000 0.989 177 V HN 0.243 nan 8.190 nan 0.000 0.475 178 F N 3.698 123.693 119.950 0.075 0.000 2.508 178 F HA 0.748 5.274 4.527 -0.001 0.000 0.325 178 F C 0.123 176.010 175.800 0.145 0.000 1.090 178 F CA -0.753 57.302 58.000 0.091 0.000 0.945 178 F CB 2.184 41.219 39.000 0.058 0.000 1.156 178 F HN 0.409 nan 8.300 nan 0.000 0.463 179 V N 0.375 120.490 119.914 0.335 0.000 2.823 179 V HA 0.621 4.741 4.120 -0.001 0.000 0.312 179 V C -0.317 175.919 176.094 0.236 0.000 1.072 179 V CA -1.268 61.181 62.300 0.247 0.000 0.937 179 V CB 1.724 33.611 31.823 0.106 0.000 1.013 179 V HN 0.839 nan 8.190 nan 0.000 0.430 180 R N 2.337 122.887 120.500 0.083 0.000 2.623 180 R HA 0.144 4.483 4.340 -0.001 0.000 0.271 180 R C -0.306 175.894 176.300 -0.166 0.000 1.043 180 R CA 0.007 55.956 56.100 -0.252 0.000 1.083 180 R CB 0.390 30.489 30.300 -0.334 0.000 0.974 180 R HN 0.974 nan 8.270 nan 0.000 0.436 181 N N 2.308 120.861 118.700 -0.245 0.000 2.500 181 N HA 0.023 4.763 4.740 -0.001 0.000 0.236 181 N C -0.122 175.348 175.510 -0.068 0.000 1.022 181 N CA -0.135 52.856 53.050 -0.098 0.000 0.935 181 N CB 1.258 39.712 38.487 -0.054 0.000 1.147 181 N HN 0.503 nan 8.380 nan 0.000 0.512 182 E N 1.627 121.803 120.200 -0.040 0.000 2.265 182 E HA -0.045 4.305 4.350 -0.001 0.000 0.196 182 E C 0.322 176.926 176.600 0.007 0.000 0.996 182 E CA 0.918 57.303 56.400 -0.025 0.000 0.832 182 E CB 0.043 29.732 29.700 -0.018 0.000 0.756 182 E HN 0.544 nan 8.360 nan 0.000 0.491 183 N N -0.053 118.668 118.700 0.036 0.000 2.313 183 N HA -0.059 4.681 4.740 -0.001 0.000 0.207 183 N C -0.588 174.974 175.510 0.087 0.000 1.141 183 N CA -0.047 53.036 53.050 0.056 0.000 0.830 183 N CB 0.034 38.565 38.487 0.073 0.000 1.008 183 N HN 0.173 nan 8.380 nan 0.000 0.481 184 Y N 1.787 122.049 120.300 -0.062 0.000 2.511 184 Y HA -0.067 4.483 4.550 -0.001 0.000 0.332 184 Y C 1.617 177.460 175.900 -0.096 0.000 1.177 184 Y CA -0.792 57.252 58.100 -0.095 0.000 1.422 184 Y CB 0.368 38.694 38.460 -0.223 0.000 1.271 184 Y HN 0.181 nan 8.280 nan 0.000 0.550 185 W N 5.165 125.961 121.300 -0.839 0.000 2.425 185 W HA 0.144 4.803 4.660 -0.001 0.000 0.277 185 W C 0.224 176.265 176.519 -0.796 0.000 1.231 185 W CA 0.701 57.626 57.345 -0.701 0.000 1.248 185 W CB -0.994 28.134 29.460 -0.554 0.000 1.117 185 W HN 0.669 nan 8.180 nan 0.000 0.568 186 G N 1.136 108.541 108.800 -2.324 0.000 2.849 186 G HA2 0.186 4.145 3.960 -0.001 0.000 0.174 186 G HA3 0.186 4.145 3.960 -0.001 0.000 0.174 186 G C -0.276 174.279 174.900 -0.575 0.000 1.370 186 G CA -0.761 43.430 45.100 -1.515 0.000 1.040 186 G HN -0.100 nan 8.290 nan 0.000 0.582 187 E N 0.433 120.461 120.200 -0.287 0.000 2.458 187 E HA 0.052 4.401 4.350 -0.001 0.000 0.264 187 E C -0.239 176.356 176.600 -0.008 0.000 1.097 187 E CA 0.458 56.802 56.400 -0.094 0.000 0.973 187 E CB 0.451 30.128 29.700 -0.039 0.000 0.963 187 E HN 0.130 nan 8.360 nan 0.000 0.451 188 K N 2.701 123.077 120.400 -0.040 0.000 2.213 188 K HA 0.345 4.664 4.320 -0.001 0.000 0.270 188 K C -2.137 174.415 176.600 -0.080 0.000 1.002 188 K CA -1.909 54.341 56.287 -0.061 0.000 0.868 188 K CB 0.989 33.453 32.500 -0.059 0.000 1.093 188 K HN 0.307 nan 8.250 nan 0.000 0.454 189 P HA 0.186 nan 4.420 nan 0.000 0.287 189 P C 0.412 177.674 177.300 -0.063 0.000 1.294 189 P CA -0.242 62.790 63.100 -0.112 0.000 0.776 189 P CB 1.412 32.950 31.700 -0.270 0.000 0.889 190 A N 5.337 128.164 122.820 0.011 0.000 1.896 190 A HA -0.192 4.128 4.320 -0.001 0.000 0.220 190 A C 1.091 178.705 177.584 0.051 0.000 1.206 190 A CA 1.275 53.327 52.037 0.025 0.000 0.647 190 A CB -1.389 17.635 19.000 0.040 0.000 0.828 190 A HN 0.617 nan 8.150 nan 0.000 0.455 191 I N -0.117 120.532 120.570 0.131 0.000 2.683 191 I HA 0.026 4.196 4.170 -0.001 0.000 0.286 191 I C 1.194 177.416 176.117 0.176 0.000 1.175 191 I CA 0.547 61.960 61.300 0.189 0.000 1.429 191 I CB 0.243 38.429 38.000 0.310 0.000 1.371 191 I HN 0.185 nan 8.210 nan 0.000 0.569 192 K N 3.901 124.378 120.400 0.128 0.000 2.242 192 K HA 0.141 4.460 4.320 -0.001 0.000 0.200 192 K C 0.683 177.391 176.600 0.180 0.000 1.050 192 K CA 0.587 56.931 56.287 0.095 0.000 0.981 192 K CB 0.298 32.826 32.500 0.048 0.000 0.795 192 K HN 0.551 nan 8.250 nan 0.000 0.477 193 K N 0.626 121.145 120.400 0.198 0.000 2.512 193 K HA 0.462 4.781 4.320 -0.001 0.000 0.263 193 K C -1.698 174.955 176.600 0.088 0.000 0.966 193 K CA -0.629 55.769 56.287 0.185 0.000 0.851 193 K CB 1.758 34.316 32.500 0.096 0.000 1.395 193 K HN -0.119 nan 8.250 nan 0.000 0.440 194 I N 2.013 122.605 120.570 0.037 0.000 2.534 194 I HA 0.194 4.363 4.170 -0.001 0.000 0.286 194 I C -1.088 175.022 176.117 -0.011 0.000 1.094 194 I CA -0.689 60.502 61.300 -0.181 0.000 1.055 194 I CB 2.339 39.994 38.000 -0.576 0.000 1.225 194 I HN 0.471 nan 8.210 nan 0.000 0.435 195 T N 6.053 120.555 114.554 -0.086 0.000 2.788 195 T HA 0.478 4.828 4.350 -0.001 0.000 0.296 195 T C -0.477 174.255 174.700 0.053 0.000 1.009 195 T CA -0.286 61.859 62.100 0.074 0.000 0.949 195 T CB 0.173 69.055 68.868 0.024 0.000 0.946 195 T HN 0.102 nan 8.240 nan 0.000 0.453 196 F N 3.298 123.328 119.950 0.133 0.000 2.404 196 F HA 0.286 4.812 4.527 -0.001 0.000 0.359 196 F C 1.151 177.085 175.800 0.224 0.000 1.134 196 F CA -1.226 56.877 58.000 0.172 0.000 1.160 196 F CB 0.213 39.337 39.000 0.206 0.000 1.186 196 F HN 0.356 nan 8.300 nan 0.000 0.526 197 N N 3.282 122.168 118.700 0.310 0.000 2.402 197 N HA 0.051 4.790 4.740 -0.001 0.000 0.259 197 N C -0.462 175.213 175.510 0.274 0.000 1.167 197 N CA -0.044 53.169 53.050 0.271 0.000 0.949 197 N CB 1.256 39.856 38.487 0.189 0.000 1.212 197 N HN 0.241 nan 8.380 nan 0.000 0.493 198 V N 4.701 124.775 119.914 0.267 0.000 2.416 198 V HA 0.008 4.127 4.120 -0.001 0.000 0.260 198 V C 0.777 176.959 176.094 0.147 0.000 1.018 198 V CA 0.239 62.674 62.300 0.225 0.000 1.120 198 V CB -0.768 31.157 31.823 0.171 0.000 1.081 198 V HN 0.475 nan 8.190 nan 0.000 0.474 199 I N 7.890 128.540 120.570 0.133 0.000 2.439 199 I HA 0.441 4.610 4.170 -0.001 0.000 0.283 199 I C -1.406 174.729 176.117 0.030 0.000 1.023 199 I CA -2.164 59.183 61.300 0.077 0.000 1.100 199 I CB 2.833 40.883 38.000 0.083 0.000 1.238 199 I HN 0.332 nan 8.210 nan 0.000 0.445 200 P HA -0.101 nan 4.420 nan 0.000 0.217 200 P C 0.104 177.383 177.300 -0.036 0.000 1.151 200 P CA 0.892 63.980 63.100 -0.020 0.000 0.828 200 P CB 0.123 31.820 31.700 -0.005 0.000 0.788 201 D N 1.012 121.401 120.400 -0.019 0.000 2.325 201 D HA 0.073 4.712 4.640 -0.001 0.000 0.251 201 D C -1.274 175.003 176.300 -0.039 0.000 1.196 201 D CA -2.133 51.850 54.000 -0.027 0.000 0.866 201 D CB 1.530 42.324 40.800 -0.011 0.000 1.101 201 D HN 0.067 nan 8.370 nan 0.000 0.476 202 P HA -0.097 nan 4.420 nan 0.000 0.225 202 P C 1.037 178.294 177.300 -0.072 0.000 1.148 202 P CA 0.773 63.820 63.100 -0.089 0.000 0.779 202 P CB 0.470 32.097 31.700 -0.122 0.000 0.780 203 T N -0.360 114.166 114.554 -0.048 0.000 2.939 203 T HA -0.050 4.300 4.350 -0.001 0.000 0.254 203 T C 1.869 176.569 174.700 0.000 0.000 1.041 203 T CA 2.058 64.139 62.100 -0.032 0.000 1.142 203 T CB -0.833 68.020 68.868 -0.024 0.000 0.874 203 T HN 0.316 nan 8.240 nan 0.000 0.452 204 T N 0.802 115.361 114.554 0.008 0.000 2.995 204 T HA 0.062 4.412 4.350 -0.001 0.000 0.269 204 T C 1.924 176.655 174.700 0.051 0.000 1.091 204 T CA 0.431 62.550 62.100 0.032 0.000 1.128 204 T CB -0.168 68.717 68.868 0.030 0.000 0.891 204 T HN 0.240 nan 8.240 nan 0.000 0.492 205 R N 0.788 121.307 120.500 0.032 0.000 2.189 205 R HA 0.265 4.604 4.340 -0.001 0.000 0.218 205 R C 2.736 179.087 176.300 0.085 0.000 1.074 205 R CA 0.943 57.074 56.100 0.052 0.000 0.991 205 R CB -0.361 29.942 30.300 0.005 0.000 0.883 205 R HN 0.538 nan 8.270 nan 0.000 0.457 206 A N 0.615 123.469 122.820 0.056 0.000 1.855 206 A HA -0.045 4.274 4.320 -0.001 0.000 0.213 206 A C 2.278 180.003 177.584 0.234 0.000 1.195 206 A CA 0.753 52.850 52.037 0.100 0.000 0.610 206 A CB -0.478 18.511 19.000 -0.019 0.000 0.837 206 A HN 0.053 nan 8.150 nan 0.000 0.444 207 V N 0.464 120.470 119.914 0.153 0.000 2.282 207 V HA -0.317 3.802 4.120 -0.001 0.000 0.249 207 V C 3.021 179.203 176.094 0.146 0.000 1.057 207 V CA 2.087 64.473 62.300 0.143 0.000 1.032 207 V CB -1.396 30.480 31.823 0.088 0.000 0.645 207 V HN 0.597 nan 8.190 nan 0.000 0.447 208 A N -1.149 121.754 122.820 0.139 0.000 2.076 208 A HA -0.237 4.083 4.320 -0.001 0.000 0.220 208 A C 2.065 179.743 177.584 0.157 0.000 1.160 208 A CA 2.091 54.204 52.037 0.127 0.000 0.653 208 A CB -0.607 18.468 19.000 0.124 0.000 0.801 208 A HN 0.573 nan 8.150 nan 0.000 0.455 209 F N 1.048 121.051 119.950 0.088 0.000 2.262 209 F HA 0.019 4.546 4.527 -0.001 0.000 0.292 209 F C 2.196 178.035 175.800 0.066 0.000 1.081 209 F CA 1.303 59.356 58.000 0.088 0.000 1.355 209 F CB -0.139 38.943 39.000 0.137 0.000 1.069 209 F HN 0.447 nan 8.300 nan 0.000 0.506 210 E N -0.701 119.608 120.200 0.181 0.000 2.515 210 E HA -0.113 4.236 4.350 -0.001 0.000 0.201 210 E C 1.217 177.835 176.600 0.030 0.000 1.071 210 E CA 1.284 57.735 56.400 0.086 0.000 0.880 210 E CB -0.690 29.092 29.700 0.137 0.000 0.828 210 E HN 0.506 nan 8.360 nan 0.000 0.540 211 T N -4.548 110.002 114.554 -0.007 0.000 2.971 211 T HA 0.418 4.767 4.350 -0.001 0.000 0.252 211 T C 1.559 176.218 174.700 -0.069 0.000 1.022 211 T CA 0.271 62.359 62.100 -0.021 0.000 0.980 211 T CB 0.845 69.718 68.868 0.008 0.000 1.044 211 T HN 0.343 nan 8.240 nan 0.000 0.501 212 G N 1.379 110.098 108.800 -0.136 0.000 2.195 212 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.224 212 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.224 212 G C 0.659 175.494 174.900 -0.108 0.000 0.990 212 G CA 0.321 45.319 45.100 -0.169 0.000 0.639 212 G HN 0.457 nan 8.290 nan 0.000 0.514 213 D N 0.005 120.374 120.400 -0.052 0.000 2.190 213 D HA -0.022 4.618 4.640 -0.001 0.000 0.200 213 D C 0.911 177.213 176.300 0.003 0.000 0.992 213 D CA 1.179 55.175 54.000 -0.007 0.000 0.854 213 D CB 0.241 41.056 40.800 0.026 0.000 0.936 213 D HN 0.438 nan 8.370 nan 0.000 0.462 214 I N -0.032 120.537 120.570 -0.001 0.000 2.740 214 I HA 0.072 4.241 4.170 -0.001 0.000 0.303 214 I C 0.321 176.417 176.117 -0.036 0.000 1.044 214 I CA -0.572 60.763 61.300 0.058 0.000 1.064 214 I CB 2.262 40.381 38.000 0.199 0.000 1.249 214 I HN -0.235 nan 8.210 nan 0.000 0.433 215 D N 2.920 123.356 120.400 0.059 0.000 2.500 215 D HA 0.208 4.847 4.640 -0.001 0.000 0.218 215 D C -0.223 176.330 176.300 0.421 0.000 1.140 215 D CA 0.093 54.118 54.000 0.042 0.000 0.830 215 D CB 0.829 41.627 40.800 -0.003 0.000 1.055 215 D HN 0.141 nan 8.370 nan 0.000 0.512 216 L N 0.560 122.027 121.223 0.407 0.000 2.393 216 L HA 0.600 4.939 4.340 -0.001 0.000 0.260 216 L C -1.901 175.100 176.870 0.218 0.000 1.002 216 L CA -0.937 54.100 54.840 0.328 0.000 0.818 216 L CB 2.206 44.374 42.059 0.181 0.000 1.369 216 L HN 0.095 nan 8.230 nan 0.000 0.412 217 L N 4.619 125.901 121.223 0.098 0.000 2.549 217 L HA 0.277 4.616 4.340 -0.001 0.000 0.260 217 L C -1.666 175.236 176.870 0.053 0.000 1.109 217 L CA -0.363 54.499 54.840 0.037 0.000 0.900 217 L CB 1.785 43.771 42.059 -0.122 0.000 1.119 217 L HN 0.559 nan 8.230 nan 0.000 0.471 218 Y N 1.947 122.227 120.300 -0.033 0.000 2.330 218 Y HA 0.781 5.330 4.550 -0.001 0.000 0.336 218 Y C 0.552 176.450 175.900 -0.004 0.000 1.036 218 Y CA 0.296 58.356 58.100 -0.067 0.000 1.125 218 Y CB 1.872 40.210 38.460 -0.205 0.000 1.194 218 Y HN 0.507 nan 8.280 nan 0.000 0.469 219 G N 3.682 112.446 108.800 -0.060 0.000 2.325 219 G HA2 0.098 4.058 3.960 -0.001 0.000 0.297 219 G HA3 0.098 4.058 3.960 -0.001 0.000 0.297 219 G C -1.961 172.871 174.900 -0.114 0.000 1.448 219 G CA -1.338 43.800 45.100 0.063 0.000 0.838 219 G HN 0.887 nan 8.290 nan 0.000 0.579 220 N N 0.217 118.885 118.700 -0.054 0.000 2.416 220 N HA 0.250 4.990 4.740 -0.001 0.000 0.246 220 N C -0.040 175.345 175.510 -0.207 0.000 1.260 220 N CA -0.164 52.813 53.050 -0.122 0.000 0.897 220 N CB 0.430 38.880 38.487 -0.062 0.000 1.110 220 N HN 0.656 nan 8.380 nan 0.000 0.439 221 E N 0.020 120.070 120.200 -0.251 0.000 2.481 221 E HA 0.086 4.436 4.350 -0.001 0.000 0.240 221 E C 0.533 176.969 176.600 -0.273 0.000 1.193 221 E CA 0.484 56.691 56.400 -0.322 0.000 0.955 221 E CB -0.515 29.004 29.700 -0.301 0.000 1.006 221 E HN 0.900 nan 8.360 nan 0.000 0.483 222 G N 2.454 111.082 108.800 -0.287 0.000 3.897 222 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.207 222 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.207 222 G C 0.651 175.398 174.900 -0.256 0.000 0.872 222 G CA -0.388 44.557 45.100 -0.257 0.000 0.872 222 G HN 0.359 nan 8.290 nan 0.000 0.442 223 L N 0.103 121.171 121.223 -0.258 0.000 2.682 223 L HA 0.676 5.015 4.340 -0.001 0.000 0.240 223 L C -0.103 176.643 176.870 -0.207 0.000 1.178 223 L CA 0.280 54.976 54.840 -0.241 0.000 0.970 223 L CB -1.111 40.814 42.059 -0.223 0.000 1.179 223 L HN 0.197 nan 8.230 nan 0.000 0.435 224 L N 0.840 121.921 121.223 -0.236 0.000 2.676 224 L HA 0.577 4.916 4.340 -0.001 0.000 0.262 224 L C -2.687 174.033 176.870 -0.250 0.000 0.932 224 L CA -0.964 53.729 54.840 -0.244 0.000 0.932 224 L CB 2.367 44.261 42.059 -0.275 0.000 1.355 224 L HN -0.181 nan 8.230 nan 0.000 0.421 225 P HA 0.145 nan 4.420 nan 0.000 0.263 225 P C 0.639 177.818 177.300 -0.201 0.000 1.195 225 P CA -0.150 62.831 63.100 -0.197 0.000 0.762 225 P CB 0.586 32.185 31.700 -0.168 0.000 0.799 226 L N 3.287 124.406 121.223 -0.173 0.000 2.127 226 L HA -0.201 4.138 4.340 -0.001 0.000 0.211 226 L C 2.114 178.905 176.870 -0.131 0.000 1.089 226 L CA 1.800 56.575 54.840 -0.107 0.000 0.757 226 L CB -1.042 40.968 42.059 -0.081 0.000 0.899 226 L HN 0.485 nan 8.230 nan 0.000 0.434 227 D N -1.964 118.317 120.400 -0.198 0.000 2.123 227 D HA -0.215 4.424 4.640 -0.001 0.000 0.196 227 D C 1.758 177.865 176.300 -0.322 0.000 0.992 227 D CA 1.970 55.766 54.000 -0.339 0.000 0.833 227 D CB -0.583 40.085 40.800 -0.220 0.000 0.954 227 D HN 0.258 nan 8.370 nan 0.000 0.455 228 T N 0.096 114.488 114.554 -0.271 0.000 2.701 228 T HA -0.100 4.250 4.350 -0.001 0.000 0.263 228 T C 1.502 175.893 174.700 -0.514 0.000 1.040 228 T CA 1.054 62.941 62.100 -0.353 0.000 1.147 228 T CB -0.693 67.907 68.868 -0.447 0.000 0.865 228 T HN 0.179 nan 8.240 nan 0.000 0.426 229 F N 2.254 121.831 119.950 -0.622 0.000 2.120 229 F HA -0.154 4.373 4.527 -0.001 0.000 0.300 229 F C 2.362 178.004 175.800 -0.263 0.000 1.095 229 F CA 1.163 58.850 58.000 -0.523 0.000 1.249 229 F CB -0.539 38.236 39.000 -0.376 0.000 0.995 229 F HN 0.148 nan 8.300 nan 0.000 0.480 230 A N 0.033 122.731 122.820 -0.203 0.000 2.015 230 A HA -0.162 4.158 4.320 -0.001 0.000 0.219 230 A C 2.353 179.830 177.584 -0.178 0.000 1.163 230 A CA 1.539 53.449 52.037 -0.212 0.000 0.646 230 A CB -0.747 17.973 19.000 -0.466 0.000 0.806 230 A HN 0.490 nan 8.150 nan 0.000 0.448 231 R N -1.651 118.767 120.500 -0.137 0.000 2.062 231 R HA -0.050 4.290 4.340 -0.001 0.000 0.226 231 R C 1.693 178.105 176.300 0.186 0.000 1.125 231 R CA 1.315 57.435 56.100 0.034 0.000 0.966 231 R CB -0.353 30.008 30.300 0.102 0.000 0.861 231 R HN 0.389 nan 8.270 nan 0.000 0.433 232 F N 1.298 121.153 119.950 -0.158 0.000 2.154 232 F HA -0.179 4.347 4.527 -0.001 0.000 0.301 232 F C 2.479 178.225 175.800 -0.090 0.000 1.087 232 F CA 1.596 59.540 58.000 -0.093 0.000 1.274 232 F CB -0.911 37.836 39.000 -0.421 0.000 1.009 232 F HN 0.135 nan 8.300 nan 0.000 0.485 233 S N -0.975 114.656 115.700 -0.115 0.000 2.660 233 S HA -0.057 4.412 4.470 -0.001 0.000 0.228 233 S C 1.201 175.770 174.600 -0.053 0.000 0.966 233 S CA 0.418 58.511 58.200 -0.179 0.000 0.940 233 S CB -0.421 62.564 63.200 -0.358 0.000 0.773 233 S HN 0.581 nan 8.310 nan 0.000 0.535 234 Q N 0.511 120.317 119.800 0.010 0.000 2.164 234 Q HA 0.285 4.624 4.340 -0.001 0.000 0.226 234 Q C -0.226 175.788 176.000 0.023 0.000 0.813 234 Q CA -0.163 55.651 55.803 0.017 0.000 0.978 234 Q CB 0.453 29.204 28.738 0.023 0.000 1.149 234 Q HN 0.692 nan 8.270 nan 0.000 0.489 235 N N 2.009 120.739 118.700 0.049 0.000 2.476 235 N HA 0.180 4.919 4.740 -0.001 0.000 0.257 235 N C -2.136 173.340 175.510 -0.057 0.000 0.970 235 N CA -1.954 51.087 53.050 -0.015 0.000 0.938 235 N CB 1.304 39.782 38.487 -0.015 0.000 1.144 235 N HN -0.157 nan 8.380 nan 0.000 0.500 236 P HA -0.017 nan 4.420 nan 0.000 0.251 236 P C 0.441 177.665 177.300 -0.127 0.000 1.251 236 P CA 0.340 63.405 63.100 -0.059 0.000 0.763 236 P CB 0.127 31.802 31.700 -0.042 0.000 1.067 237 A N -1.610 121.029 122.820 -0.303 0.000 2.132 237 A HA 0.099 4.418 4.320 -0.001 0.000 0.213 237 A C 0.380 177.700 177.584 -0.441 0.000 1.154 237 A CA 0.625 52.378 52.037 -0.472 0.000 0.753 237 A CB -0.423 18.105 19.000 -0.787 0.000 0.826 237 A HN 0.111 nan 8.150 nan 0.000 0.469 238 Y N -2.058 118.238 120.300 -0.006 0.000 2.598 238 Y HA 0.626 5.175 4.550 -0.001 0.000 0.340 238 Y C -0.098 175.872 175.900 0.118 0.000 1.038 238 Y CA -1.703 56.446 58.100 0.082 0.000 1.100 238 Y CB 0.861 39.353 38.460 0.054 0.000 1.281 238 Y HN 0.257 nan 8.280 nan 0.000 0.488 239 H N 0.199 119.417 119.070 0.247 0.000 2.547 239 H HA 0.664 5.219 4.556 -0.001 0.000 0.342 239 H C -1.061 174.328 175.328 0.102 0.000 1.048 239 H CA -0.571 55.554 56.048 0.129 0.000 1.204 239 H CB 1.319 31.145 29.762 0.107 0.000 1.493 239 H HN 0.732 nan 8.280 nan 0.000 0.511 240 T N 2.422 116.710 114.554 -0.443 0.000 2.906 240 T HA 0.604 4.953 4.350 -0.001 0.000 0.295 240 T C -0.782 173.724 174.700 -0.324 0.000 1.061 240 T CA -1.067 60.847 62.100 -0.309 0.000 1.000 240 T CB 2.175 70.781 68.868 -0.436 0.000 1.103 240 T HN 0.675 nan 8.240 nan 0.000 0.486 241 Q N 1.034 120.820 119.800 -0.023 0.000 2.389 241 Q HA 0.658 4.997 4.340 -0.001 0.000 0.277 241 Q C -1.586 174.532 176.000 0.195 0.000 1.082 241 Q CA -0.998 54.842 55.803 0.062 0.000 0.810 241 Q CB 3.177 31.965 28.738 0.083 0.000 1.374 241 Q HN 0.588 nan 8.270 nan 0.000 0.422 242 L N 1.787 123.105 121.223 0.159 0.000 2.409 242 L HA 0.453 4.792 4.340 -0.001 0.000 0.272 242 L C -0.115 176.772 176.870 0.030 0.000 0.980 242 L CA -0.485 54.395 54.840 0.067 0.000 0.826 242 L CB 2.236 44.342 42.059 0.078 0.000 1.268 242 L HN 0.872 nan 8.230 nan 0.000 0.407 243 S N 3.045 118.652 115.700 -0.154 0.000 2.652 243 S HA 0.402 4.872 4.470 -0.001 0.000 0.267 243 S C -0.071 174.399 174.600 -0.217 0.000 1.201 243 S CA -0.760 57.216 58.200 -0.373 0.000 0.996 243 S CB 1.121 63.732 63.200 -0.982 0.000 1.054 243 S HN 0.568 nan 8.310 nan 0.000 0.561 244 Q N 1.046 120.716 119.800 -0.216 0.000 2.394 244 Q HA 0.326 4.665 4.340 -0.001 0.000 0.248 244 Q C -2.345 173.566 176.000 -0.149 0.000 0.992 244 Q CA -1.639 54.087 55.803 -0.129 0.000 0.888 244 Q CB -0.111 28.566 28.738 -0.102 0.000 1.257 244 Q HN 0.463 nan 8.270 nan 0.000 0.462 245 P HA -0.067 nan 4.420 nan 0.000 0.265 245 P C 0.210 177.450 177.300 -0.100 0.000 1.187 245 P CA 0.704 63.753 63.100 -0.085 0.000 0.766 245 P CB 0.304 31.974 31.700 -0.050 0.000 0.820 246 I N -0.917 119.606 120.570 -0.079 0.000 4.338 246 I HA 0.365 4.535 4.170 -0.001 0.000 0.315 246 I C 0.250 176.351 176.117 -0.026 0.000 1.262 246 I CA 0.204 61.468 61.300 -0.059 0.000 1.298 246 I CB 0.273 38.239 38.000 -0.057 0.000 1.257 246 I HN 0.183 nan 8.210 nan 0.000 0.444 247 E N 0.772 120.964 120.200 -0.012 0.000 2.456 247 E HA 0.467 4.817 4.350 -0.001 0.000 0.276 247 E C -1.052 175.575 176.600 0.045 0.000 0.981 247 E CA -0.892 55.504 56.400 -0.006 0.000 0.814 247 E CB 2.083 31.773 29.700 -0.016 0.000 1.382 247 E HN 0.042 nan 8.360 nan 0.000 0.459 248 T N -0.349 114.208 114.554 0.004 0.000 2.856 248 T HA 0.496 4.846 4.350 -0.001 0.000 0.283 248 T C -1.385 173.242 174.700 -0.121 0.000 1.008 248 T CA -0.686 61.437 62.100 0.038 0.000 0.997 248 T CB 1.480 70.417 68.868 0.114 0.000 0.992 248 T HN 0.255 nan 8.240 nan 0.000 0.454 249 V N 7.843 127.693 119.914 -0.108 0.000 2.448 249 V HA 0.833 4.952 4.120 -0.001 0.000 0.295 249 V C -0.487 175.560 176.094 -0.078 0.000 1.025 249 V CA -0.687 61.574 62.300 -0.066 0.000 0.859 249 V CB 1.060 32.883 31.823 0.001 0.000 0.988 249 V HN 1.066 nan 8.190 nan 0.000 0.431 250 M N 5.988 125.548 119.600 -0.067 0.000 3.079 250 M HA 0.622 5.101 4.480 -0.001 0.000 0.277 250 M C -2.171 174.038 176.300 -0.151 0.000 1.317 250 M CA -0.936 54.301 55.300 -0.106 0.000 0.793 250 M CB 2.328 34.849 32.600 -0.131 0.000 1.690 250 M HN 0.407 nan 8.290 nan 0.000 0.451 251 L N 1.792 122.910 121.223 -0.174 0.000 2.313 251 L HA 0.694 5.034 4.340 -0.001 0.000 0.283 251 L C -0.167 176.696 176.870 -0.012 0.000 1.013 251 L CA -0.863 53.827 54.840 -0.251 0.000 0.816 251 L CB 1.827 43.696 42.059 -0.316 0.000 1.236 251 L HN 0.936 nan 8.230 nan 0.000 0.419 252 A N 4.657 127.483 122.820 0.010 0.000 2.302 252 A HA 0.510 4.830 4.320 -0.001 0.000 0.295 252 A C -0.579 177.012 177.584 0.012 0.000 1.235 252 A CA -0.444 51.658 52.037 0.108 0.000 0.876 252 A CB 0.203 19.200 19.000 -0.006 0.000 1.133 252 A HN 0.467 nan 8.150 nan 0.000 0.533 253 L N 2.820 124.016 121.223 -0.045 0.000 2.265 253 L HA 0.203 4.543 4.340 -0.001 0.000 0.288 253 L C 0.711 177.583 176.870 0.003 0.000 1.058 253 L CA -0.024 54.798 54.840 -0.030 0.000 0.809 253 L CB 0.448 42.444 42.059 -0.105 0.000 1.179 253 L HN 0.818 nan 8.230 nan 0.000 0.429 254 N N 0.994 119.747 118.700 0.089 0.000 2.400 254 N HA -0.019 4.720 4.740 -0.001 0.000 0.267 254 N C 1.046 176.486 175.510 -0.116 0.000 1.208 254 N CA 0.132 53.148 53.050 -0.056 0.000 0.951 254 N CB 0.589 38.921 38.487 -0.257 0.000 1.227 254 N HN 0.763 nan 8.380 nan 0.000 0.488 255 T N 0.060 114.536 114.554 -0.131 0.000 3.118 255 T HA 0.051 4.400 4.350 -0.001 0.000 0.260 255 T C 1.404 176.033 174.700 -0.119 0.000 1.139 255 T CA 0.493 62.520 62.100 -0.122 0.000 1.085 255 T CB 0.187 68.975 68.868 -0.133 0.000 0.934 255 T HN 0.415 nan 8.240 nan 0.000 0.518 256 A N 0.760 123.491 122.820 -0.149 0.000 1.997 256 A HA 0.375 4.695 4.320 -0.001 0.000 0.212 256 A C 1.228 178.739 177.584 -0.122 0.000 1.178 256 A CA 0.098 52.053 52.037 -0.137 0.000 0.698 256 A CB -0.010 18.892 19.000 -0.163 0.000 0.842 256 A HN 0.473 nan 8.150 nan 0.000 0.458 257 K N -0.148 120.163 120.400 -0.147 0.000 2.087 257 K HA 0.613 4.932 4.320 -0.001 0.000 0.255 257 K C -0.282 176.278 176.600 -0.065 0.000 0.988 257 K CA -0.148 56.071 56.287 -0.114 0.000 0.915 257 K CB 1.217 33.624 32.500 -0.155 0.000 1.043 257 K HN 0.257 nan 8.250 nan 0.000 0.457 258 A N 2.192 124.995 122.820 -0.029 0.000 2.295 258 A HA 0.410 4.729 4.320 -0.001 0.000 0.318 258 A C -1.949 175.638 177.584 0.005 0.000 1.134 258 A CA -1.297 50.749 52.037 0.015 0.000 0.827 258 A CB 0.444 19.483 19.000 0.064 0.000 1.136 258 A HN 0.718 nan 8.150 nan 0.000 0.493 259 P HA 0.058 nan 4.420 nan 0.000 0.262 259 P C 0.654 177.934 177.300 -0.034 0.000 1.304 259 P CA 0.457 63.573 63.100 0.027 0.000 0.859 259 P CB 0.147 31.793 31.700 -0.091 0.000 1.310 260 T N 0.967 115.486 114.554 -0.059 0.000 2.929 260 T HA -0.126 4.223 4.350 -0.001 0.000 0.271 260 T C 1.597 176.263 174.700 -0.058 0.000 1.085 260 T CA 1.496 63.554 62.100 -0.069 0.000 1.125 260 T CB -0.743 68.088 68.868 -0.063 0.000 0.874 260 T HN 0.319 nan 8.240 nan 0.000 0.494 261 N N 1.804 120.480 118.700 -0.040 0.000 2.381 261 N HA -0.092 4.648 4.740 -0.001 0.000 0.182 261 N C 0.349 175.850 175.510 -0.016 0.000 1.025 261 N CA 0.499 53.526 53.050 -0.039 0.000 0.888 261 N CB -0.408 38.059 38.487 -0.033 0.000 0.965 261 N HN 0.462 nan 8.380 nan 0.000 0.438 262 E N -0.255 119.954 120.200 0.016 0.000 2.338 262 E HA 0.059 4.408 4.350 -0.001 0.000 0.272 262 E C 0.619 177.224 176.600 0.007 0.000 1.029 262 E CA -0.474 55.951 56.400 0.041 0.000 0.872 262 E CB 1.472 31.246 29.700 0.124 0.000 1.015 262 E HN 0.098 nan 8.360 nan 0.000 0.417 263 L N 3.915 125.142 121.223 0.007 0.000 2.095 263 L HA -0.035 4.304 4.340 -0.001 0.000 0.204 263 L C 2.009 178.882 176.870 0.005 0.000 1.080 263 L CA 1.962 56.796 54.840 -0.010 0.000 0.759 263 L CB -0.487 41.567 42.059 -0.009 0.000 0.914 263 L HN 0.708 nan 8.230 nan 0.000 0.439 264 A N -1.147 121.694 122.820 0.035 0.000 1.978 264 A HA -0.156 4.164 4.320 -0.001 0.000 0.220 264 A C 2.242 179.849 177.584 0.037 0.000 1.170 264 A CA 2.022 54.091 52.037 0.053 0.000 0.636 264 A CB -0.970 18.079 19.000 0.082 0.000 0.810 264 A HN 0.319 nan 8.150 nan 0.000 0.448 265 V N -0.266 119.655 119.914 0.010 0.000 2.346 265 V HA -0.189 3.931 4.120 -0.001 0.000 0.244 265 V C 2.544 178.599 176.094 -0.066 0.000 1.037 265 V CA 1.919 64.182 62.300 -0.061 0.000 1.029 265 V CB -0.697 31.049 31.823 -0.127 0.000 0.663 265 V HN 0.528 nan 8.190 nan 0.000 0.454 266 R N -0.064 120.397 120.500 -0.064 0.000 2.152 266 R HA -0.167 4.173 4.340 -0.001 0.000 0.232 266 R C 2.147 178.397 176.300 -0.084 0.000 1.117 266 R CA 1.479 57.529 56.100 -0.083 0.000 0.981 266 R CB -0.209 30.034 30.300 -0.096 0.000 0.870 266 R HN 0.645 nan 8.270 nan 0.000 0.451 267 E N 0.380 120.550 120.200 -0.049 0.000 2.122 267 E HA -0.051 4.298 4.350 -0.001 0.000 0.190 267 E C 2.061 178.698 176.600 0.062 0.000 0.977 267 E CA 0.752 57.126 56.400 -0.044 0.000 0.820 267 E CB -0.007 29.714 29.700 0.035 0.000 0.770 267 E HN 0.304 nan 8.360 nan 0.000 0.462 268 A N 1.543 124.423 122.820 0.100 0.000 1.933 268 A HA -0.151 4.169 4.320 -0.001 0.000 0.218 268 A C 2.183 179.812 177.584 0.075 0.000 1.175 268 A CA 1.020 53.139 52.037 0.136 0.000 0.628 268 A CB -0.619 18.400 19.000 0.032 0.000 0.814 268 A HN 0.131 nan 8.150 nan 0.000 0.444 269 L N -0.354 120.862 121.223 -0.011 0.000 2.201 269 L HA -0.124 4.215 4.340 -0.001 0.000 0.212 269 L C 1.840 178.685 176.870 -0.041 0.000 1.105 269 L CA 0.840 55.658 54.840 -0.036 0.000 0.775 269 L CB -0.537 41.478 42.059 -0.072 0.000 0.913 269 L HN 0.431 nan 8.230 nan 0.000 0.440 270 N N -1.012 117.631 118.700 -0.095 0.000 2.515 270 N HA -0.089 4.650 4.740 -0.001 0.000 0.185 270 N C 1.044 176.439 175.510 -0.191 0.000 1.109 270 N CA 0.800 53.743 53.050 -0.179 0.000 0.903 270 N CB 0.340 38.650 38.487 -0.295 0.000 0.969 270 N HN 0.356 nan 8.380 nan 0.000 0.450 271 Y N -0.317 119.965 120.300 -0.030 0.000 2.442 271 Y HA 0.330 4.879 4.550 -0.001 0.000 0.250 271 Y C 1.945 177.818 175.900 -0.045 0.000 1.113 271 Y CA -0.316 57.761 58.100 -0.039 0.000 1.273 271 Y CB 0.224 38.638 38.460 -0.076 0.000 1.138 271 Y HN -0.043 nan 8.280 nan 0.000 0.522 272 A N -0.385 122.514 122.820 0.131 0.000 2.123 272 A HA 0.193 4.512 4.320 -0.001 0.000 0.214 272 A C 0.582 178.301 177.584 0.225 0.000 1.152 272 A CA 0.448 52.549 52.037 0.106 0.000 0.728 272 A CB -0.340 18.690 19.000 0.050 0.000 0.814 272 A HN 0.003 nan 8.150 nan 0.000 0.464 273 V N 1.852 121.892 119.914 0.209 0.000 2.394 273 V HA 0.178 4.297 4.120 -0.001 0.000 0.282 273 V C -0.096 176.104 176.094 0.177 0.000 1.031 273 V CA -0.891 61.505 62.300 0.160 0.000 0.881 273 V CB 1.266 33.113 31.823 0.041 0.000 0.982 273 V HN 0.441 nan 8.190 nan 0.000 0.451 274 N N 3.990 122.636 118.700 -0.091 0.000 2.508 274 N HA 0.125 4.864 4.740 -0.001 0.000 0.253 274 N C 0.906 176.274 175.510 -0.237 0.000 1.145 274 N CA -0.077 52.645 53.050 -0.546 0.000 0.973 274 N CB 0.837 38.777 38.487 -0.913 0.000 1.305 274 N HN 0.530 nan 8.380 nan 0.000 0.506 275 K N 2.558 122.881 120.400 -0.128 0.000 1.991 275 K HA -0.214 4.105 4.320 -0.001 0.000 0.212 275 K C 1.844 178.374 176.600 -0.116 0.000 1.049 275 K CA 1.809 58.036 56.287 -0.100 0.000 0.932 275 K CB 0.019 32.474 32.500 -0.075 0.000 0.717 275 K HN 0.592 nan 8.250 nan 0.000 0.441 276 K N -0.296 120.032 120.400 -0.120 0.000 2.044 276 K HA -0.158 4.161 4.320 -0.001 0.000 0.210 276 K C 2.271 178.796 176.600 -0.125 0.000 1.049 276 K CA 2.092 58.313 56.287 -0.110 0.000 0.927 276 K CB -0.635 31.807 32.500 -0.098 0.000 0.713 276 K HN 0.019 nan 8.250 nan 0.000 0.443 277 S N 0.606 116.208 115.700 -0.163 0.000 2.447 277 S HA -0.010 4.459 4.470 -0.001 0.000 0.233 277 S C 1.669 176.197 174.600 -0.120 0.000 1.006 277 S CA 0.458 58.568 58.200 -0.150 0.000 0.957 277 S CB -0.290 62.793 63.200 -0.196 0.000 0.773 277 S HN 0.451 nan 8.310 nan 0.000 0.507 278 L N 0.751 121.904 121.223 -0.116 0.000 2.446 278 L HA 0.321 4.661 4.340 -0.001 0.000 0.219 278 L C 1.503 178.328 176.870 -0.076 0.000 1.116 278 L CA 1.277 56.066 54.840 -0.085 0.000 0.844 278 L CB -0.710 41.304 42.059 -0.075 0.000 0.970 278 L HN 0.387 nan 8.230 nan 0.000 0.457 279 I N -0.089 120.430 120.570 -0.084 0.000 3.226 279 I HA -0.097 4.073 4.170 -0.001 0.000 0.277 279 I C 1.004 177.076 176.117 -0.075 0.000 1.243 279 I CA 0.294 61.547 61.300 -0.077 0.000 1.459 279 I CB 0.019 37.970 38.000 -0.083 0.000 1.093 279 I HN 0.128 nan 8.210 nan 0.000 0.453 280 D N 1.045 121.392 120.400 -0.088 0.000 2.340 280 D HA 0.104 4.743 4.640 -0.001 0.000 0.220 280 D C -0.065 176.207 176.300 -0.048 0.000 1.039 280 D CA 0.441 54.376 54.000 -0.109 0.000 0.866 280 D CB 0.076 40.799 40.800 -0.128 0.000 0.913 280 D HN 0.271 nan 8.370 nan 0.000 0.523 281 N N -0.686 118.001 118.700 -0.022 0.000 2.242 281 N HA 0.420 5.159 4.740 -0.001 0.000 0.292 281 N C 0.485 175.988 175.510 -0.011 0.000 1.125 281 N CA -0.039 53.017 53.050 0.010 0.000 0.783 281 N CB 2.469 40.945 38.487 -0.018 0.000 1.558 281 N HN -0.123 nan 8.380 nan 0.000 0.472 282 A N 0.573 123.385 122.820 -0.013 0.000 3.870 282 A HA -0.240 4.080 4.320 -0.001 0.000 0.246 282 A C 0.632 178.180 177.584 -0.059 0.000 0.669 282 A CA 1.707 53.706 52.037 -0.063 0.000 1.221 282 A CB -1.694 17.250 19.000 -0.094 0.000 1.199 282 A HN 0.559 nan 8.150 nan 0.000 0.685 283 L N -3.540 117.671 121.223 -0.021 0.000 2.966 283 L HA 0.266 4.605 4.340 -0.001 0.000 0.262 283 L C 0.803 177.718 176.870 0.075 0.000 1.165 283 L CA 0.182 55.010 54.840 -0.020 0.000 0.978 283 L CB 0.651 42.678 42.059 -0.055 0.000 1.337 283 L HN 0.585 nan 8.230 nan 0.000 0.563 284 Y N 2.242 122.507 120.300 -0.058 0.000 3.007 284 Y HA -0.290 4.259 4.550 -0.001 0.000 0.212 284 Y C 1.292 177.177 175.900 -0.025 0.000 1.180 284 Y CA 0.498 58.577 58.100 -0.034 0.000 1.076 284 Y CB -1.371 37.081 38.460 -0.013 0.000 1.254 284 Y HN 0.411 nan 8.280 nan 0.000 0.534 285 G N 0.939 109.664 108.800 -0.125 0.000 2.341 285 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.292 285 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.292 285 G C 0.896 175.756 174.900 -0.066 0.000 1.021 285 G CA 1.142 46.160 45.100 -0.138 0.000 0.905 285 G HN 1.387 nan 8.290 nan 0.000 0.508 286 T N -4.811 109.736 114.554 -0.012 0.000 3.037 286 T HA 0.346 4.695 4.350 -0.001 0.000 0.252 286 T C 1.041 175.735 174.700 -0.011 0.000 1.073 286 T CA 1.057 63.165 62.100 0.013 0.000 1.091 286 T CB 0.491 69.389 68.868 0.049 0.000 0.935 286 T HN 0.321 nan 8.240 nan 0.000 0.488 287 Q N 1.434 121.218 119.800 -0.028 0.000 2.576 287 Q HA 0.490 4.829 4.340 -0.001 0.000 0.249 287 Q C -0.621 175.370 176.000 -0.015 0.000 1.041 287 Q CA -0.708 55.082 55.803 -0.021 0.000 0.928 287 Q CB 1.192 29.908 28.738 -0.036 0.000 1.302 287 Q HN 0.744 nan 8.270 nan 0.000 0.504 288 Q N -1.116 118.693 119.800 0.015 0.000 2.353 288 Q HA 0.597 4.936 4.340 -0.001 0.000 0.268 288 Q C -0.677 175.296 176.000 -0.044 0.000 1.045 288 Q CA -0.862 54.955 55.803 0.023 0.000 0.811 288 Q CB 1.479 30.276 28.738 0.097 0.000 1.305 288 Q HN 0.187 nan 8.270 nan 0.000 0.447 289 V N 1.887 121.757 119.914 -0.073 0.000 2.681 289 V HA 0.108 4.228 4.120 -0.001 0.000 0.306 289 V C 0.350 176.286 176.094 -0.263 0.000 1.077 289 V CA 0.803 63.016 62.300 -0.145 0.000 1.224 289 V CB 0.104 31.879 31.823 -0.080 0.000 0.879 289 V HN 0.872 nan 8.190 nan 0.000 0.494 290 A N 3.982 126.518 122.820 -0.474 0.000 2.301 290 A HA 0.556 4.876 4.320 -0.001 0.000 0.312 290 A C 0.476 177.909 177.584 -0.251 0.000 1.182 290 A CA -0.545 51.051 52.037 -0.734 0.000 0.826 290 A CB 0.497 18.871 19.000 -1.044 0.000 1.134 290 A HN 0.878 nan 8.150 nan 0.000 0.501 291 D N 0.476 120.840 120.400 -0.061 0.000 2.479 291 D HA 0.102 4.742 4.640 -0.001 0.000 0.216 291 D C 0.054 176.433 176.300 0.132 0.000 1.110 291 D CA 1.165 55.187 54.000 0.037 0.000 0.841 291 D CB 0.880 41.724 40.800 0.075 0.000 1.040 291 D HN 0.707 nan 8.370 nan 0.000 0.505 292 T N -1.782 112.850 114.554 0.131 0.000 2.900 292 T HA 0.257 4.607 4.350 -0.001 0.000 0.303 292 T C 0.870 175.607 174.700 0.062 0.000 1.142 292 T CA -0.711 61.489 62.100 0.167 0.000 1.007 292 T CB 2.279 71.222 68.868 0.126 0.000 1.156 292 T HN -0.180 nan 8.240 nan 0.000 0.490 293 L N 0.755 121.944 121.223 -0.057 0.000 2.137 293 L HA 0.204 4.544 4.340 -0.001 0.000 0.213 293 L C -0.191 176.385 176.870 -0.490 0.000 1.085 293 L CA 1.746 56.333 54.840 -0.422 0.000 0.760 293 L CB -0.486 41.203 42.059 -0.617 0.000 0.893 293 L HN 0.712 nan 8.230 nan 0.000 0.434 294 F N -1.050 118.890 119.950 -0.015 0.000 2.540 294 F HA 0.593 5.119 4.527 -0.001 0.000 0.317 294 F C 0.472 176.244 175.800 -0.046 0.000 1.104 294 F CA -1.003 56.962 58.000 -0.059 0.000 0.913 294 F CB 1.015 39.959 39.000 -0.092 0.000 1.170 294 F HN -0.173 nan 8.300 nan 0.000 0.450 295 A N 3.960 126.773 122.820 -0.011 0.000 2.440 295 A HA 0.318 4.637 4.320 -0.001 0.000 0.251 295 A C -1.898 175.583 177.584 -0.171 0.000 1.089 295 A CA -1.237 50.587 52.037 -0.355 0.000 0.779 295 A CB 0.091 18.514 19.000 -0.963 0.000 1.022 295 A HN 0.602 nan 8.150 nan 0.000 0.492 296 P HA -0.210 nan 4.420 nan 0.000 0.219 296 P C 1.460 178.685 177.300 -0.125 0.000 1.144 296 P CA 2.000 65.049 63.100 -0.085 0.000 0.806 296 P CB 0.120 31.785 31.700 -0.059 0.000 0.771 297 S N -2.445 113.153 115.700 -0.171 0.000 2.522 297 S HA 0.021 4.490 4.470 -0.001 0.000 0.227 297 S C 0.803 175.290 174.600 -0.187 0.000 0.986 297 S CA -0.025 58.074 58.200 -0.168 0.000 0.929 297 S CB -0.970 62.125 63.200 -0.175 0.000 0.769 297 S HN -0.127 nan 8.310 nan 0.000 0.529 298 V N 3.569 123.356 119.914 -0.211 0.000 2.649 298 V HA 0.314 4.433 4.120 -0.001 0.000 0.292 298 V C -2.263 173.658 176.094 -0.287 0.000 1.055 298 V CA -2.019 60.124 62.300 -0.262 0.000 1.023 298 V CB 0.513 32.127 31.823 -0.347 0.000 0.992 298 V HN 0.207 nan 8.190 nan 0.000 0.480 299 P HA 0.040 nan 4.420 nan 0.000 0.262 299 P C -0.430 176.599 177.300 -0.452 0.000 1.182 299 P CA 0.604 63.422 63.100 -0.470 0.000 0.761 299 P CB -0.079 31.352 31.700 -0.447 0.000 0.795 300 Y N 0.791 120.955 120.300 -0.228 0.000 4.916 300 Y HA -0.316 4.233 4.550 -0.001 0.000 0.247 300 Y C 1.676 177.492 175.900 -0.140 0.000 0.962 300 Y CA 1.121 59.101 58.100 -0.201 0.000 1.933 300 Y CB -2.672 35.541 38.460 -0.411 0.000 1.451 300 Y HN 0.465 nan 8.280 nan 0.000 0.539 301 A N -0.366 122.419 122.820 -0.059 0.000 2.275 301 A HA 0.164 4.484 4.320 -0.001 0.000 0.212 301 A C 1.052 178.642 177.584 0.009 0.000 1.201 301 A CA 0.552 52.594 52.037 0.009 0.000 0.843 301 A CB -0.203 18.795 19.000 -0.004 0.000 0.873 301 A HN 0.359 nan 8.150 nan 0.000 0.492 302 N N 0.869 119.557 118.700 -0.021 0.000 2.739 302 N HA 0.333 5.072 4.740 -0.001 0.000 0.266 302 N C 0.219 175.730 175.510 0.003 0.000 1.168 302 N CA 0.039 53.076 53.050 -0.021 0.000 1.055 302 N CB -0.207 38.253 38.487 -0.045 0.000 1.393 302 N HN 0.330 nan 8.380 nan 0.000 0.514 303 L N 0.700 121.927 121.223 0.006 0.000 2.766 303 L HA 0.401 4.740 4.340 -0.001 0.000 0.242 303 L C 1.417 178.281 176.870 -0.010 0.000 1.136 303 L CA -0.105 54.740 54.840 0.009 0.000 0.933 303 L CB 0.076 42.148 42.059 0.022 0.000 1.241 303 L HN 0.532 nan 8.230 nan 0.000 0.522 304 G N 1.297 110.085 108.800 -0.020 0.000 2.179 304 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.257 304 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.257 304 G C 0.295 175.171 174.900 -0.041 0.000 1.010 304 G CA -0.041 45.047 45.100 -0.020 0.000 0.736 304 G HN 0.254 nan 8.290 nan 0.000 0.513 305 L N 0.381 121.546 121.223 -0.097 0.000 2.525 305 L HA 0.167 4.507 4.340 -0.001 0.000 0.278 305 L C 1.512 178.309 176.870 -0.121 0.000 1.218 305 L CA 0.268 54.995 54.840 -0.188 0.000 0.878 305 L CB 0.457 42.214 42.059 -0.504 0.000 1.127 305 L HN 0.471 nan 8.230 nan 0.000 0.492 306 K N 4.770 125.157 120.400 -0.023 0.000 2.412 306 K HA 0.281 4.601 4.320 -0.001 0.000 0.281 306 K C -2.428 174.245 176.600 0.123 0.000 1.027 306 K CA -1.273 55.047 56.287 0.056 0.000 0.989 306 K CB 0.364 32.915 32.500 0.084 0.000 0.935 306 K HN 0.279 nan 8.250 nan 0.000 0.475 307 P HA 0.008 nan 4.420 nan 0.000 0.276 307 P C -0.801 176.539 177.300 0.065 0.000 1.261 307 P CA -0.624 62.535 63.100 0.098 0.000 0.800 307 P CB 1.308 33.046 31.700 0.064 0.000 1.066 308 S N -0.327 115.382 115.700 0.015 0.000 2.525 308 S HA 0.325 4.794 4.470 -0.001 0.000 0.290 308 S C -0.314 174.299 174.600 0.022 0.000 1.152 308 S CA -0.376 57.783 58.200 -0.069 0.000 1.072 308 S CB 0.527 63.603 63.200 -0.207 0.000 1.027 308 S HN 0.446 nan 8.310 nan 0.000 0.500 309 Q N 2.351 122.217 119.800 0.109 0.000 2.215 309 Q HA 0.400 4.740 4.340 -0.001 0.000 0.256 309 Q C -1.611 174.551 176.000 0.270 0.000 0.972 309 Q CA -0.681 55.232 55.803 0.183 0.000 0.889 309 Q CB 0.869 29.722 28.738 0.191 0.000 1.281 309 Q HN 0.728 nan 8.270 nan 0.000 0.456 310 Y N 2.747 123.110 120.300 0.105 0.000 2.436 310 Y HA 0.364 4.913 4.550 -0.001 0.000 0.343 310 Y C -0.976 174.986 175.900 0.103 0.000 1.008 310 Y CA -0.052 58.105 58.100 0.096 0.000 1.241 310 Y CB 0.682 39.166 38.460 0.041 0.000 1.153 310 Y HN 0.614 nan 8.280 nan 0.000 0.521 311 D N 8.637 128.890 120.400 -0.245 0.000 2.714 311 D HA 0.248 4.888 4.640 -0.001 0.000 0.264 311 D C -2.309 173.758 176.300 -0.388 0.000 1.231 311 D CA -1.755 52.053 54.000 -0.320 0.000 0.802 311 D CB 1.270 41.927 40.800 -0.239 0.000 1.319 311 D HN 0.295 nan 8.370 nan 0.000 0.528 312 P HA -0.184 nan 4.420 nan 0.000 0.218 312 P C 1.447 178.614 177.300 -0.221 0.000 1.146 312 P CA 1.183 64.084 63.100 -0.332 0.000 0.820 312 P CB 0.486 31.987 31.700 -0.331 0.000 0.778 313 Q N -0.145 119.517 119.800 -0.230 0.000 1.990 313 Q HA -0.166 4.174 4.340 -0.001 0.000 0.200 313 Q C 2.153 178.028 176.000 -0.208 0.000 0.980 313 Q CA 1.482 57.179 55.803 -0.176 0.000 0.832 313 Q CB -1.141 27.506 28.738 -0.152 0.000 0.897 313 Q HN 0.169 nan 8.270 nan 0.000 0.427 314 K N 1.382 121.593 120.400 -0.315 0.000 2.074 314 K HA -0.129 4.190 4.320 -0.001 0.000 0.209 314 K C 1.908 178.294 176.600 -0.358 0.000 1.048 314 K CA 1.668 57.697 56.287 -0.431 0.000 0.926 314 K CB -0.674 31.320 32.500 -0.843 0.000 0.713 314 K HN 0.170 nan 8.250 nan 0.000 0.444 315 A N 0.881 123.520 122.820 -0.302 0.000 1.851 315 A HA -0.183 4.136 4.320 -0.001 0.000 0.216 315 A C 2.033 179.576 177.584 -0.067 0.000 1.195 315 A CA 2.047 54.024 52.037 -0.101 0.000 0.622 315 A CB -0.588 18.396 19.000 -0.026 0.000 0.831 315 A HN 0.412 nan 8.150 nan 0.000 0.444 316 K N -0.473 119.879 120.400 -0.079 0.000 2.360 316 K HA -0.035 4.284 4.320 -0.001 0.000 0.201 316 K C 1.992 178.573 176.600 -0.032 0.000 1.046 316 K CA 0.786 57.047 56.287 -0.044 0.000 0.940 316 K CB -0.214 32.256 32.500 -0.050 0.000 0.748 316 K HN 0.505 nan 8.250 nan 0.000 0.465 317 A N 0.765 123.549 122.820 -0.060 0.000 1.887 317 A HA 0.004 4.323 4.320 -0.001 0.000 0.212 317 A C 1.966 179.541 177.584 -0.015 0.000 1.198 317 A CA 0.519 52.529 52.037 -0.046 0.000 0.628 317 A CB -0.313 18.639 19.000 -0.081 0.000 0.847 317 A HN 0.114 nan 8.150 nan 0.000 0.449 318 L N -0.717 120.495 121.223 -0.019 0.000 2.079 318 L HA -0.185 4.154 4.340 -0.001 0.000 0.210 318 L C 2.468 179.378 176.870 0.068 0.000 1.081 318 L CA 0.720 55.575 54.840 0.025 0.000 0.752 318 L CB -0.517 41.568 42.059 0.043 0.000 0.896 318 L HN 0.294 nan 8.230 nan 0.000 0.433 319 L N 0.260 121.524 121.223 0.068 0.000 2.005 319 L HA -0.209 4.130 4.340 -0.001 0.000 0.207 319 L C 2.660 179.652 176.870 0.205 0.000 1.072 319 L CA 2.146 57.069 54.840 0.138 0.000 0.744 319 L CB -0.734 41.365 42.059 0.066 0.000 0.895 319 L HN 0.422 nan 8.230 nan 0.000 0.433 320 E N -0.845 119.424 120.200 0.115 0.000 2.208 320 E HA -0.249 4.101 4.350 -0.001 0.000 0.193 320 E C 2.156 178.792 176.600 0.061 0.000 0.988 320 E CA 1.324 57.780 56.400 0.093 0.000 0.828 320 E CB -0.376 29.353 29.700 0.048 0.000 0.763 320 E HN 0.386 nan 8.360 nan 0.000 0.478 321 K N 0.509 120.941 120.400 0.054 0.000 2.148 321 K HA 0.002 4.321 4.320 -0.001 0.000 0.204 321 K C 1.837 178.460 176.600 0.040 0.000 1.050 321 K CA 1.035 57.341 56.287 0.032 0.000 0.942 321 K CB -0.191 32.323 32.500 0.024 0.000 0.724 321 K HN 0.229 nan 8.250 nan 0.000 0.446 322 A N 0.012 122.889 122.820 0.096 0.000 2.252 322 A HA 0.178 4.498 4.320 -0.001 0.000 0.207 322 A C 1.257 178.841 177.584 -0.001 0.000 1.194 322 A CA 0.899 53.004 52.037 0.114 0.000 0.809 322 A CB -0.449 18.706 19.000 0.258 0.000 0.814 322 A HN 0.584 nan 8.150 nan 0.000 0.482 323 G N -2.625 106.147 108.800 -0.046 0.000 2.194 323 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.236 323 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.236 323 G C -0.140 174.586 174.900 -0.289 0.000 0.987 323 G CA -0.109 44.864 45.100 -0.212 0.000 0.635 323 G HN 0.452 nan 8.290 nan 0.000 0.520 324 W N 1.773 123.065 121.300 -0.012 0.000 2.481 324 W HA 0.623 5.283 4.660 -0.001 0.000 0.320 324 W C 0.548 177.060 176.519 -0.012 0.000 1.209 324 W CA -0.059 57.279 57.345 -0.011 0.000 1.400 324 W CB 0.927 30.381 29.460 -0.010 0.000 1.361 324 W HN 0.025 nan 8.180 nan 0.000 0.456 325 T N 4.477 119.106 114.554 0.126 0.000 2.855 325 T HA 0.434 4.783 4.350 -0.001 0.000 0.281 325 T C -0.212 174.535 174.700 0.079 0.000 1.007 325 T CA -0.757 61.387 62.100 0.073 0.000 1.009 325 T CB 0.690 69.564 68.868 0.011 0.000 0.983 325 T HN 0.118 nan 8.240 nan 0.000 0.455 326 L N 6.167 127.426 121.223 0.060 0.000 2.385 326 L HA 0.275 4.614 4.340 -0.001 0.000 0.281 326 L C -1.739 175.151 176.870 0.033 0.000 1.106 326 L CA -1.565 53.304 54.840 0.049 0.000 0.856 326 L CB 0.472 42.552 42.059 0.035 0.000 1.186 326 L HN 0.464 nan 8.230 nan 0.000 0.453 327 P HA 0.122 nan 4.420 nan 0.000 0.274 327 P C -0.714 176.596 177.300 0.017 0.000 1.260 327 P CA -0.545 62.568 63.100 0.022 0.000 0.793 327 P CB 0.559 32.274 31.700 0.025 0.000 1.048 328 A N 0.489 123.316 122.820 0.012 0.000 2.409 328 A HA 0.482 4.802 4.320 -0.001 0.000 0.267 328 A C 1.228 178.819 177.584 0.011 0.000 1.127 328 A CA 0.390 52.433 52.037 0.009 0.000 0.795 328 A CB -1.278 17.725 19.000 0.006 0.000 1.061 328 A HN 0.851 nan 8.150 nan 0.000 0.502 329 G N 1.832 110.639 108.800 0.011 0.000 2.143 329 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.248 329 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.248 329 G C 0.078 174.986 174.900 0.014 0.000 0.991 329 G CA 0.864 45.970 45.100 0.011 0.000 0.689 329 G HN 0.845 nan 8.290 nan 0.000 0.522 330 K N -0.594 119.816 120.400 0.017 0.000 2.385 330 K HA 0.470 4.790 4.320 -0.001 0.000 0.248 330 K C -0.235 176.378 176.600 0.022 0.000 0.955 330 K CA -0.871 55.428 56.287 0.021 0.000 0.816 330 K CB 1.562 34.077 32.500 0.026 0.000 1.250 330 K HN -0.050 nan 8.250 nan 0.000 0.434 331 D N 0.884 121.296 120.400 0.021 0.000 2.367 331 D HA 0.113 4.752 4.640 -0.001 0.000 0.207 331 D C 0.158 176.473 176.300 0.024 0.000 1.034 331 D CA 0.623 54.635 54.000 0.020 0.000 0.861 331 D CB 0.618 41.427 40.800 0.016 0.000 0.943 331 D HN 0.349 nan 8.370 nan 0.000 0.515 332 I N 1.951 122.540 120.570 0.031 0.000 2.330 332 I HA 0.186 4.355 4.170 -0.001 0.000 0.289 332 I C 0.471 176.630 176.117 0.070 0.000 1.001 332 I CA -0.649 60.674 61.300 0.038 0.000 1.193 332 I CB 1.231 39.250 38.000 0.032 0.000 1.345 332 I HN -0.403 nan 8.210 nan 0.000 0.461 333 R N 4.624 125.179 120.500 0.091 0.000 2.817 333 R HA 0.152 4.491 4.340 -0.001 0.000 0.264 333 R C -0.382 176.075 176.300 0.263 0.000 1.009 333 R CA 0.513 56.715 56.100 0.171 0.000 1.133 333 R CB 0.383 30.818 30.300 0.226 0.000 1.013 333 R HN 0.577 nan 8.270 nan 0.000 0.453 334 E N 0.228 120.588 120.200 0.266 0.000 2.408 334 E HA 0.340 4.690 4.350 -0.001 0.000 0.275 334 E C -1.281 175.331 176.600 0.019 0.000 0.935 334 E CA -1.038 55.496 56.400 0.222 0.000 0.775 334 E CB 2.606 32.361 29.700 0.092 0.000 1.277 334 E HN 0.310 nan 8.360 nan 0.000 0.455 335 K N 1.864 122.114 120.400 -0.249 0.000 2.553 335 K HA 0.216 4.536 4.320 -0.001 0.000 0.250 335 K C -0.999 175.386 176.600 -0.359 0.000 0.953 335 K CA -0.456 55.477 56.287 -0.590 0.000 0.800 335 K CB 0.787 32.350 32.500 -1.561 0.000 1.243 335 K HN 0.559 nan 8.250 nan 0.000 0.435 336 N N 2.777 121.328 118.700 -0.248 0.000 2.721 336 N HA -0.213 4.526 4.740 -0.001 0.000 0.249 336 N C 0.571 176.024 175.510 -0.096 0.000 1.072 336 N CA 1.667 54.625 53.050 -0.154 0.000 0.710 336 N CB -1.433 36.961 38.487 -0.154 0.000 0.993 336 N HN 1.146 nan 8.380 nan 0.000 0.547 337 G N -1.218 107.537 108.800 -0.076 0.000 2.184 337 G HA2 -0.378 3.581 3.960 -0.001 0.000 0.264 337 G HA3 -0.378 3.581 3.960 -0.001 0.000 0.264 337 G C -0.096 174.804 174.900 0.000 0.000 0.975 337 G CA 0.891 45.973 45.100 -0.030 0.000 0.642 337 G HN 0.723 nan 8.290 nan 0.000 0.536 338 Q N 1.125 120.926 119.800 0.002 0.000 2.340 338 Q HA 0.611 4.951 4.340 -0.001 0.000 0.259 338 Q C -2.513 173.611 176.000 0.207 0.000 0.964 338 Q CA -2.449 53.403 55.803 0.081 0.000 0.900 338 Q CB 1.474 30.261 28.738 0.082 0.000 1.228 338 Q HN 0.206 nan 8.270 nan 0.000 0.449 339 P HA -0.070 nan 4.420 nan 0.000 0.265 339 P C -0.945 176.494 177.300 0.231 0.000 1.193 339 P CA -0.358 62.853 63.100 0.185 0.000 0.765 339 P CB 0.409 32.168 31.700 0.098 0.000 0.823 340 L N 5.436 126.766 121.223 0.178 0.000 2.623 340 L HA 0.088 4.428 4.340 -0.001 0.000 0.281 340 L C 0.065 176.864 176.870 -0.119 0.000 1.150 340 L CA 0.698 55.450 54.840 -0.147 0.000 0.965 340 L CB -1.195 40.665 42.059 -0.332 0.000 1.303 340 L HN 0.258 nan 8.230 nan 0.000 0.467 341 R N 5.989 126.440 120.500 -0.082 0.000 2.409 341 R HA 0.622 4.961 4.340 -0.001 0.000 0.313 341 R C -0.977 175.286 176.300 -0.062 0.000 0.953 341 R CA -0.602 55.468 56.100 -0.049 0.000 0.849 341 R CB 1.538 31.840 30.300 0.002 0.000 1.171 341 R HN 0.526 nan 8.270 nan 0.000 0.458 342 I N 1.002 121.535 120.570 -0.063 0.000 2.603 342 I HA 0.319 4.488 4.170 -0.001 0.000 0.300 342 I C -0.070 176.043 176.117 -0.007 0.000 1.017 342 I CA -0.811 60.460 61.300 -0.048 0.000 1.098 342 I CB 2.250 40.206 38.000 -0.075 0.000 1.279 342 I HN 0.504 nan 8.210 nan 0.000 0.437 343 E N 5.018 125.228 120.200 0.016 0.000 2.151 343 E HA 0.425 4.775 4.350 -0.001 0.000 0.275 343 E C -1.761 174.876 176.600 0.062 0.000 0.936 343 E CA -0.844 55.580 56.400 0.040 0.000 0.777 343 E CB 1.964 31.689 29.700 0.042 0.000 1.108 343 E HN 0.389 nan 8.360 nan 0.000 0.401 344 L N 4.497 125.768 121.223 0.081 0.000 2.298 344 L HA 0.393 4.732 4.340 -0.001 0.000 0.284 344 L C -0.964 176.004 176.870 0.162 0.000 1.013 344 L CA -0.275 54.636 54.840 0.118 0.000 0.824 344 L CB 1.303 43.453 42.059 0.152 0.000 1.221 344 L HN 0.514 nan 8.230 nan 0.000 0.418 345 S N 4.054 119.816 115.700 0.105 0.000 2.578 345 S HA 0.926 5.395 4.470 -0.001 0.000 0.301 345 S C -0.566 174.144 174.600 0.183 0.000 1.091 345 S CA -0.579 57.608 58.200 -0.021 0.000 1.032 345 S CB 1.499 64.657 63.200 -0.070 0.000 1.064 345 S HN 0.566 nan 8.310 nan 0.000 0.508 346 F N -1.020 119.014 119.950 0.139 0.000 2.686 346 F HA 0.578 5.104 4.527 -0.001 0.000 0.311 346 F C 0.472 176.301 175.800 0.048 0.000 1.128 346 F CA -1.518 56.568 58.000 0.143 0.000 0.946 346 F CB 0.003 39.059 39.000 0.095 0.000 1.336 346 F HN 0.354 nan 8.300 nan 0.000 0.457 347 I N 1.034 121.734 120.570 0.217 0.000 2.069 347 I HA -0.054 4.115 4.170 -0.001 0.000 0.237 347 I C 2.065 178.243 176.117 0.101 0.000 1.053 347 I CA 2.908 64.278 61.300 0.117 0.000 1.311 347 I CB -1.492 36.569 38.000 0.103 0.000 1.030 347 I HN 1.160 nan 8.210 nan 0.000 0.398 348 G N -0.441 108.513 108.800 0.258 0.000 2.541 348 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.201 348 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.201 348 G C 0.981 175.934 174.900 0.088 0.000 1.026 348 G CA 0.539 45.774 45.100 0.225 0.000 0.687 348 G HN 0.394 nan 8.290 nan 0.000 0.492 349 T N -1.139 113.424 114.554 0.014 0.000 3.107 349 T HA 0.337 4.686 4.350 -0.001 0.000 0.249 349 T C 0.328 174.960 174.700 -0.114 0.000 1.096 349 T CA 0.820 62.885 62.100 -0.059 0.000 1.012 349 T CB 0.608 69.420 68.868 -0.093 0.000 0.977 349 T HN 0.316 nan 8.240 nan 0.000 0.527 350 D N 1.220 121.562 120.400 -0.098 0.000 2.396 350 D HA 0.545 5.185 4.640 -0.001 0.000 0.225 350 D C 1.224 177.393 176.300 -0.218 0.000 1.121 350 D CA -0.183 53.714 54.000 -0.171 0.000 0.853 350 D CB 1.484 42.183 40.800 -0.168 0.000 1.043 350 D HN 0.166 nan 8.370 nan 0.000 0.500 351 A N 4.303 126.994 122.820 -0.216 0.000 1.865 351 A HA -0.207 4.112 4.320 -0.001 0.000 0.217 351 A C 1.970 179.390 177.584 -0.274 0.000 1.191 351 A CA 0.948 52.852 52.037 -0.222 0.000 0.623 351 A CB -0.534 18.346 19.000 -0.199 0.000 0.826 351 A HN 0.596 nan 8.150 nan 0.000 0.444 352 L N 0.161 121.216 121.223 -0.279 0.000 2.081 352 L HA -0.162 4.177 4.340 -0.001 0.000 0.212 352 L C 2.492 179.099 176.870 -0.438 0.000 1.080 352 L CA 2.589 57.250 54.840 -0.298 0.000 0.754 352 L CB -0.624 41.280 42.059 -0.259 0.000 0.893 352 L HN 0.350 nan 8.230 nan 0.000 0.433 353 S N -0.688 114.660 115.700 -0.587 0.000 2.317 353 S HA -0.154 4.315 4.470 -0.001 0.000 0.212 353 S C 1.866 175.891 174.600 -0.958 0.000 1.030 353 S CA 1.090 58.646 58.200 -1.072 0.000 0.970 353 S CB -0.406 62.226 63.200 -0.946 0.000 0.928 353 S HN 0.327 nan 8.310 nan 0.000 0.451 354 K N 2.035 121.938 120.400 -0.827 0.000 2.144 354 K HA -0.114 4.206 4.320 -0.001 0.000 0.209 354 K C 2.187 178.462 176.600 -0.542 0.000 1.047 354 K CA 1.757 57.536 56.287 -0.848 0.000 0.927 354 K CB -0.849 31.407 32.500 -0.407 0.000 0.716 354 K HN 0.228 nan 8.250 nan 0.000 0.454 355 S N -0.497 114.961 115.700 -0.404 0.000 2.325 355 S HA -0.072 4.398 4.470 -0.001 0.000 0.213 355 S C 1.869 176.337 174.600 -0.221 0.000 1.031 355 S CA 1.577 59.621 58.200 -0.260 0.000 0.984 355 S CB -0.250 62.823 63.200 -0.213 0.000 0.939 355 S HN 0.410 nan 8.310 nan 0.000 0.438 356 M N 1.397 120.866 119.600 -0.219 0.000 2.195 356 M HA -0.138 4.342 4.480 -0.001 0.000 0.260 356 M C 2.329 178.629 176.300 -0.001 0.000 1.066 356 M CA 1.457 56.712 55.300 -0.073 0.000 1.089 356 M CB -0.712 31.901 32.600 0.023 0.000 1.377 356 M HN 0.484 nan 8.290 nan 0.000 0.411 357 A N 0.581 123.340 122.820 -0.102 0.000 1.849 357 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 357 A C 1.955 179.519 177.584 -0.034 0.000 1.202 357 A CA 2.293 54.312 52.037 -0.029 0.000 0.629 357 A CB -0.858 17.876 19.000 -0.444 0.000 0.834 357 A HN 0.421 nan 8.150 nan 0.000 0.447 358 E N -0.323 119.814 120.200 -0.105 0.000 2.097 358 E HA -0.182 4.168 4.350 -0.001 0.000 0.196 358 E C 1.795 178.380 176.600 -0.025 0.000 1.000 358 E CA 1.537 57.905 56.400 -0.052 0.000 0.804 358 E CB -0.311 29.345 29.700 -0.073 0.000 0.740 358 E HN 0.710 nan 8.360 nan 0.000 0.454 359 I N -0.225 120.326 120.570 -0.032 0.000 2.193 359 I HA -0.226 3.944 4.170 -0.001 0.000 0.240 359 I C 2.129 178.247 176.117 0.001 0.000 1.084 359 I CA 0.780 62.068 61.300 -0.019 0.000 1.365 359 I CB -0.215 37.767 38.000 -0.031 0.000 1.064 359 I HN 0.105 nan 8.210 nan 0.000 0.410 360 I N 0.472 121.052 120.570 0.016 0.000 2.151 360 I HA -0.394 3.776 4.170 -0.001 0.000 0.243 360 I C 2.733 178.862 176.117 0.021 0.000 1.080 360 I CA 1.609 62.922 61.300 0.022 0.000 1.339 360 I CB -0.442 37.577 38.000 0.032 0.000 1.039 360 I HN 0.382 nan 8.210 nan 0.000 0.409 361 Q N 0.771 120.588 119.800 0.028 0.000 2.096 361 Q HA -0.271 4.068 4.340 -0.001 0.000 0.204 361 Q C 2.294 178.306 176.000 0.019 0.000 0.982 361 Q CA 2.126 57.945 55.803 0.028 0.000 0.850 361 Q CB -0.094 28.667 28.738 0.038 0.000 0.901 361 Q HN 0.595 nan 8.270 nan 0.000 0.422 362 A N 0.727 123.557 122.820 0.017 0.000 1.898 362 A HA -0.197 4.122 4.320 -0.001 0.000 0.216 362 A C 1.528 179.128 177.584 0.027 0.000 1.181 362 A CA 1.781 53.828 52.037 0.017 0.000 0.620 362 A CB -0.571 18.435 19.000 0.010 0.000 0.819 362 A HN 0.487 nan 8.150 nan 0.000 0.442 363 D N -0.389 120.031 120.400 0.035 0.000 2.144 363 D HA -0.146 4.493 4.640 -0.001 0.000 0.199 363 D C 2.010 178.341 176.300 0.052 0.000 0.984 363 D CA 1.331 55.371 54.000 0.066 0.000 0.834 363 D CB -0.182 40.670 40.800 0.086 0.000 0.955 363 D HN 0.300 nan 8.370 nan 0.000 0.465 364 M N -0.264 119.352 119.600 0.026 0.000 2.132 364 M HA -0.033 4.446 4.480 -0.001 0.000 0.263 364 M C 2.104 178.403 176.300 -0.003 0.000 1.065 364 M CA 1.012 56.313 55.300 0.003 0.000 1.122 364 M CB -0.811 31.781 32.600 -0.014 0.000 1.365 364 M HN 0.001 nan 8.290 nan 0.000 0.411 365 R N 0.422 120.925 120.500 0.006 0.000 2.241 365 R HA -0.119 4.221 4.340 -0.001 0.000 0.224 365 R C 1.854 178.159 176.300 0.008 0.000 1.101 365 R CA 0.812 56.915 56.100 0.005 0.000 0.995 365 R CB 0.147 30.453 30.300 0.010 0.000 0.870 365 R HN 0.407 nan 8.270 nan 0.000 0.463 366 Q N 0.131 119.940 119.800 0.016 0.000 2.435 366 Q HA -0.069 4.270 4.340 -0.001 0.000 0.207 366 Q C 1.595 177.597 176.000 0.004 0.000 0.956 366 Q CA 0.894 56.708 55.803 0.019 0.000 0.917 366 Q CB 0.379 29.143 28.738 0.042 0.000 0.997 366 Q HN 0.573 nan 8.270 nan 0.000 0.497 367 I N -5.717 114.850 120.570 -0.005 0.000 4.009 367 I HA 0.476 4.645 4.170 -0.001 0.000 0.331 367 I C 0.885 176.991 176.117 -0.019 0.000 1.462 367 I CA 0.343 61.633 61.300 -0.018 0.000 1.117 367 I CB 0.730 38.713 38.000 -0.029 0.000 1.091 367 I HN 0.050 nan 8.210 nan 0.000 0.410 368 G N 1.609 110.402 108.800 -0.012 0.000 2.194 368 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.236 368 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.236 368 G C 0.382 175.262 174.900 -0.034 0.000 0.987 368 G CA -0.109 44.987 45.100 -0.007 0.000 0.635 368 G HN 0.908 nan 8.290 nan 0.000 0.520 369 A N 0.498 123.281 122.820 -0.061 0.000 2.276 369 A HA 0.582 4.901 4.320 -0.001 0.000 0.300 369 A C -0.204 177.347 177.584 -0.055 0.000 1.235 369 A CA 0.373 52.352 52.037 -0.097 0.000 0.867 369 A CB 0.701 19.626 19.000 -0.126 0.000 1.137 369 A HN 0.399 nan 8.150 nan 0.000 0.527 370 D N 2.784 123.155 120.400 -0.049 0.000 2.396 370 D HA 0.332 4.971 4.640 -0.001 0.000 0.225 370 D C -0.619 175.670 176.300 -0.019 0.000 1.121 370 D CA 0.016 54.004 54.000 -0.020 0.000 0.853 370 D CB 1.246 42.044 40.800 -0.004 0.000 1.043 370 D HN 0.340 nan 8.370 nan 0.000 0.500 371 V N 2.931 122.842 119.914 -0.005 0.000 2.483 371 V HA 0.646 4.765 4.120 -0.001 0.000 0.295 371 V C -0.500 175.615 176.094 0.035 0.000 1.035 371 V CA -0.401 61.904 62.300 0.009 0.000 0.896 371 V CB 1.720 33.550 31.823 0.011 0.000 0.986 371 V HN 0.528 nan 8.190 nan 0.000 0.447 372 S N 6.506 122.231 115.700 0.043 0.000 2.525 372 S HA 0.735 5.204 4.470 -0.001 0.000 0.290 372 S C -0.611 174.045 174.600 0.093 0.000 1.152 372 S CA -0.442 57.791 58.200 0.057 0.000 1.072 372 S CB 1.365 64.588 63.200 0.038 0.000 1.027 372 S HN 0.659 nan 8.310 nan 0.000 0.500 373 L N 2.874 124.175 121.223 0.131 0.000 2.325 373 L HA 0.589 4.929 4.340 -0.001 0.000 0.279 373 L C -0.463 176.459 176.870 0.086 0.000 1.054 373 L CA 0.097 55.082 54.840 0.242 0.000 0.804 373 L CB 0.823 43.117 42.059 0.392 0.000 1.200 373 L HN 0.589 nan 8.230 nan 0.000 0.436 374 I N 2.249 122.732 120.570 -0.146 0.000 2.531 374 I HA 0.388 4.558 4.170 -0.001 0.000 0.283 374 I C 0.068 175.619 176.117 -0.943 0.000 1.083 374 I CA -0.398 60.679 61.300 -0.371 0.000 1.071 374 I CB 1.791 39.679 38.000 -0.186 0.000 1.210 374 I HN 0.658 nan 8.210 nan 0.000 0.450 375 G N 4.560 112.825 108.800 -0.893 0.000 2.389 375 G HA2 0.771 4.730 3.960 -0.001 0.000 0.317 375 G HA3 0.771 4.730 3.960 -0.001 0.000 0.317 375 G C -0.832 173.879 174.900 -0.315 0.000 1.137 375 G CA -0.103 44.493 45.100 -0.840 0.000 0.870 375 G HN 0.614 nan 8.290 nan 0.000 0.496 376 E N -0.194 119.888 120.200 -0.197 0.000 2.445 376 E HA 0.241 4.591 4.350 -0.001 0.000 0.279 376 E C -1.059 175.525 176.600 -0.027 0.000 1.018 376 E CA -0.892 55.456 56.400 -0.087 0.000 0.816 376 E CB 1.653 31.307 29.700 -0.077 0.000 1.356 376 E HN 0.439 nan 8.360 nan 0.000 0.462 377 E N 1.438 121.632 120.200 -0.011 0.000 2.442 377 E HA -0.106 4.243 4.350 -0.001 0.000 0.262 377 E C 0.724 177.340 176.600 0.028 0.000 1.004 377 E CA 0.429 56.832 56.400 0.004 0.000 0.928 377 E CB 0.305 30.005 29.700 -0.000 0.000 0.937 377 E HN 0.541 nan 8.360 nan 0.000 0.446 378 E N 1.958 122.174 120.200 0.028 0.000 2.136 378 E HA -0.343 4.006 4.350 -0.001 0.000 0.202 378 E C 1.498 178.132 176.600 0.057 0.000 1.019 378 E CA 1.962 58.392 56.400 0.050 0.000 0.819 378 E CB 0.045 29.721 29.700 -0.041 0.000 0.739 378 E HN 0.595 nan 8.360 nan 0.000 0.458 379 S N -0.068 115.629 115.700 -0.004 0.000 2.351 379 S HA -0.166 4.303 4.470 -0.001 0.000 0.220 379 S C 2.245 176.888 174.600 0.071 0.000 1.035 379 S CA 1.552 59.755 58.200 0.005 0.000 1.031 379 S CB -0.561 62.630 63.200 -0.015 0.000 0.928 379 S HN 0.196 nan 8.310 nan 0.000 0.433 380 S N 1.731 117.461 115.700 0.050 0.000 2.400 380 S HA 0.040 4.509 4.470 -0.001 0.000 0.232 380 S C 1.734 176.378 174.600 0.072 0.000 1.025 380 S CA 1.209 59.437 58.200 0.046 0.000 0.993 380 S CB -0.462 62.748 63.200 0.016 0.000 0.808 380 S HN 0.415 nan 8.310 nan 0.000 0.478 381 I N -0.199 120.435 120.570 0.108 0.000 2.617 381 I HA -0.010 4.159 4.170 -0.001 0.000 0.256 381 I C 1.553 177.756 176.117 0.144 0.000 1.167 381 I CA 1.057 62.423 61.300 0.112 0.000 1.469 381 I CB -0.987 37.089 38.000 0.126 0.000 1.098 381 I HN 0.279 nan 8.210 nan 0.000 0.436 382 Y N 0.825 121.128 120.300 0.005 0.000 2.448 382 Y HA 0.124 4.673 4.550 -0.001 0.000 0.289 382 Y C 2.529 178.414 175.900 -0.025 0.000 1.114 382 Y CA 0.724 58.815 58.100 -0.015 0.000 1.235 382 Y CB -0.426 38.006 38.460 -0.047 0.000 1.045 382 Y HN 0.073 nan 8.280 nan 0.000 0.554 383 A N 0.030 122.932 122.820 0.137 0.000 1.929 383 A HA -0.119 4.200 4.320 -0.001 0.000 0.216 383 A C 2.239 179.872 177.584 0.082 0.000 1.176 383 A CA 1.199 53.282 52.037 0.077 0.000 0.628 383 A CB -0.349 18.686 19.000 0.057 0.000 0.816 383 A HN 0.336 nan 8.150 nan 0.000 0.444 384 R N -0.489 120.072 120.500 0.102 0.000 2.092 384 R HA -0.096 4.244 4.340 -0.001 0.000 0.231 384 R C 2.392 178.863 176.300 0.285 0.000 1.119 384 R CA 1.508 57.712 56.100 0.174 0.000 0.970 384 R CB -0.267 30.136 30.300 0.172 0.000 0.864 384 R HN 0.655 nan 8.270 nan 0.000 0.440 385 Q N -0.085 119.799 119.800 0.140 0.000 2.170 385 Q HA -0.119 4.221 4.340 -0.001 0.000 0.203 385 Q C 1.995 178.104 176.000 0.182 0.000 0.976 385 Q CA 1.204 57.088 55.803 0.135 0.000 0.858 385 Q CB 0.054 28.738 28.738 -0.090 0.000 0.907 385 Q HN 0.318 nan 8.270 nan 0.000 0.433 386 R N 0.077 120.628 120.500 0.086 0.000 2.127 386 R HA -0.043 4.297 4.340 -0.001 0.000 0.217 386 R C 1.194 177.538 176.300 0.073 0.000 1.074 386 R CA 1.020 57.147 56.100 0.046 0.000 0.991 386 R CB 0.133 30.420 30.300 -0.023 0.000 0.895 386 R HN 0.169 nan 8.270 nan 0.000 0.450 387 D N -0.939 119.511 120.400 0.083 0.000 2.249 387 D HA 0.040 4.679 4.640 -0.001 0.000 0.205 387 D C 1.093 177.408 176.300 0.025 0.000 0.962 387 D CA 1.325 55.356 54.000 0.052 0.000 0.860 387 D CB 0.370 41.196 40.800 0.043 0.000 0.955 387 D HN 0.404 nan 8.370 nan 0.000 0.505 388 G N 0.440 109.264 108.800 0.038 0.000 2.175 388 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.244 388 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.244 388 G C 0.307 174.979 174.900 -0.379 0.000 0.982 388 G CA -0.284 44.660 45.100 -0.260 0.000 0.641 388 G HN 0.289 nan 8.290 nan 0.000 0.527 389 R N 0.270 120.738 120.500 -0.052 0.000 2.853 389 R HA 0.504 4.843 4.340 -0.001 0.000 0.238 389 R C -0.138 176.252 176.300 0.151 0.000 1.538 389 R CA 0.709 56.807 56.100 -0.003 0.000 1.166 389 R CB -0.792 29.539 30.300 0.052 0.000 1.201 389 R HN 0.803 nan 8.270 nan 0.000 0.606 390 F N -3.583 116.352 119.950 -0.024 0.000 2.767 390 F HA 0.338 4.865 4.527 -0.001 0.000 0.317 390 F C 0.113 175.890 175.800 -0.039 0.000 1.119 390 F CA -1.177 56.805 58.000 -0.030 0.000 0.971 390 F CB 0.215 39.198 39.000 -0.029 0.000 1.251 390 F HN 0.096 nan 8.300 nan 0.000 0.450 391 G N 1.173 110.119 108.800 0.242 0.000 2.556 391 G HA2 0.392 4.352 3.960 -0.001 0.000 0.209 391 G HA3 0.392 4.352 3.960 -0.001 0.000 0.209 391 G C -0.116 174.917 174.900 0.222 0.000 1.159 391 G CA 0.090 45.265 45.100 0.126 0.000 0.828 391 G HN 0.514 nan 8.290 nan 0.000 0.553 392 M N 0.180 119.900 119.600 0.199 0.000 2.378 392 M HA 0.565 5.044 4.480 -0.001 0.000 0.289 392 M C -1.855 174.420 176.300 -0.042 0.000 1.136 392 M CA -0.456 54.884 55.300 0.066 0.000 0.917 392 M CB 3.298 35.882 32.600 -0.027 0.000 1.669 392 M HN 0.102 nan 8.290 nan 0.000 0.461 393 I N 1.193 121.623 120.570 -0.233 0.000 2.769 393 I HA 0.546 4.715 4.170 -0.001 0.000 0.298 393 I C -1.372 174.609 176.117 -0.227 0.000 1.128 393 I CA -0.555 60.568 61.300 -0.294 0.000 1.031 393 I CB 1.971 39.549 38.000 -0.704 0.000 1.235 393 I HN 0.545 nan 8.210 nan 0.000 0.423 394 F N 5.264 125.204 119.950 -0.016 0.000 2.506 394 F HA 0.325 4.852 4.527 -0.001 0.000 0.351 394 F C 0.154 175.999 175.800 0.076 0.000 1.136 394 F CA 0.960 58.983 58.000 0.039 0.000 1.298 394 F CB 0.430 39.474 39.000 0.073 0.000 1.145 394 F HN 0.496 nan 8.300 nan 0.000 0.593 395 H N 2.220 121.342 119.070 0.088 0.000 3.042 395 H HA 0.605 5.160 4.556 -0.001 0.000 0.346 395 H C -1.301 174.040 175.328 0.020 0.000 1.294 395 H CA -1.184 54.883 56.048 0.032 0.000 1.141 395 H CB 1.461 31.216 29.762 -0.012 0.000 1.872 395 H HN 0.630 nan 8.280 nan 0.000 0.541 396 R N 0.680 120.849 120.500 -0.553 0.000 2.739 396 R HA 0.576 4.915 4.340 -0.001 0.000 0.271 396 R C -0.883 175.056 176.300 -0.602 0.000 1.010 396 R CA -0.563 55.285 56.100 -0.420 0.000 0.897 396 R CB 1.193 31.409 30.300 -0.139 0.000 1.236 396 R HN 0.692 nan 8.270 nan 0.000 0.466 397 T N -2.393 111.804 114.554 -0.596 0.000 2.793 397 T HA 0.311 4.661 4.350 -0.001 0.000 0.299 397 T C 0.008 174.595 174.700 -0.187 0.000 1.038 397 T CA -0.525 61.043 62.100 -0.886 0.000 0.948 397 T CB 0.507 68.939 68.868 -0.726 0.000 1.231 397 T HN 0.701 nan 8.240 nan 0.000 0.538 398 W N 0.322 121.510 121.300 -0.187 0.000 2.599 398 W HA 0.541 5.201 4.660 -0.001 0.000 0.396 398 W C 1.072 177.608 176.519 0.027 0.000 0.944 398 W CA -0.722 56.539 57.345 -0.140 0.000 2.042 398 W CB -1.608 27.616 29.460 -0.395 0.000 1.184 398 W HN 1.388 nan 8.180 nan 0.000 0.604 399 G N 1.768 110.675 108.800 0.177 0.000 2.740 399 G HA2 0.009 3.968 3.960 -0.001 0.000 0.250 399 G HA3 0.009 3.968 3.960 -0.001 0.000 0.250 399 G C 0.192 175.235 174.900 0.238 0.000 1.358 399 G CA -0.254 44.938 45.100 0.154 0.000 0.897 399 G HN 0.529 nan 8.290 nan 0.000 0.567 400 A N -0.060 122.854 122.820 0.157 0.000 2.351 400 A HA 0.703 5.023 4.320 -0.001 0.000 0.257 400 A C -0.650 176.940 177.584 0.010 0.000 1.087 400 A CA -0.129 51.968 52.037 0.099 0.000 0.798 400 A CB 0.670 19.743 19.000 0.122 0.000 1.033 400 A HN 0.528 nan 8.150 nan 0.000 0.488 401 P HA 0.030 nan 4.420 nan 0.000 0.240 401 P C 0.416 177.709 177.300 -0.011 0.000 1.190 401 P CA 0.665 63.561 63.100 -0.339 0.000 0.781 401 P CB -0.060 31.197 31.700 -0.739 0.000 0.931 402 Y N 0.189 120.587 120.300 0.163 0.000 2.139 402 Y HA -0.187 4.362 4.550 -0.001 0.000 0.282 402 Y C 0.784 176.785 175.900 0.170 0.000 1.179 402 Y CA 0.827 59.085 58.100 0.263 0.000 1.161 402 Y CB -1.381 37.367 38.460 0.480 0.000 0.970 402 Y HN -0.008 nan 8.280 nan 0.000 0.511 403 D N 0.980 121.509 120.400 0.216 0.000 2.264 403 D HA 0.085 4.725 4.640 -0.001 0.000 0.250 403 D C -1.519 174.683 176.300 -0.163 0.000 1.113 403 D CA -1.778 52.170 54.000 -0.087 0.000 0.871 403 D CB 1.139 41.773 40.800 -0.277 0.000 1.167 403 D HN 0.143 nan 8.370 nan 0.000 0.447 404 P HA -0.086 nan 4.420 nan 0.000 0.218 404 P C 1.442 178.883 177.300 0.235 0.000 1.147 404 P CA 0.654 63.587 63.100 -0.279 0.000 0.863 404 P CB 0.166 31.509 31.700 -0.595 0.000 0.812 405 H N 2.135 121.345 119.070 0.232 0.000 2.297 405 H HA -0.185 4.371 4.556 -0.001 0.000 0.289 405 H C 1.554 177.061 175.328 0.299 0.000 1.105 405 H CA 2.638 58.900 56.048 0.357 0.000 1.219 405 H CB -1.259 28.697 29.762 0.323 0.000 1.351 405 H HN 0.082 nan 8.280 nan 0.000 0.481 406 A N 0.408 122.790 122.820 -0.730 0.000 1.968 406 A HA -0.025 4.295 4.320 -0.001 0.000 0.217 406 A C 2.579 180.228 177.584 0.109 0.000 1.169 406 A CA 0.892 52.737 52.037 -0.321 0.000 0.638 406 A CB -1.193 17.790 19.000 -0.029 0.000 0.812 406 A HN 0.476 nan 8.150 nan 0.000 0.446 407 F N 0.623 120.550 119.950 -0.038 0.000 2.102 407 F HA -0.125 4.402 4.527 -0.001 0.000 0.298 407 F C 1.926 177.712 175.800 -0.024 0.000 1.105 407 F CA 1.616 59.457 58.000 -0.264 0.000 1.239 407 F CB -0.064 38.818 39.000 -0.196 0.000 0.991 407 F HN 0.116 nan 8.300 nan 0.000 0.474 408 L N -0.706 120.598 121.223 0.135 0.000 2.141 408 L HA -0.203 4.136 4.340 -0.001 0.000 0.209 408 L C 2.690 179.600 176.870 0.066 0.000 1.094 408 L CA 1.458 56.373 54.840 0.126 0.000 0.763 408 L CB -1.002 41.245 42.059 0.314 0.000 0.908 408 L HN 0.257 nan 8.230 nan 0.000 0.437 409 S N 0.012 115.764 115.700 0.086 0.000 2.399 409 S HA -0.160 4.310 4.470 -0.001 0.000 0.231 409 S C 2.123 176.809 174.600 0.144 0.000 1.022 409 S CA 1.599 59.862 58.200 0.105 0.000 0.983 409 S CB -0.128 63.128 63.200 0.094 0.000 0.803 409 S HN 0.589 nan 8.310 nan 0.000 0.480 410 S N 0.296 116.096 115.700 0.168 0.000 2.527 410 S HA 0.184 4.653 4.470 -0.001 0.000 0.222 410 S C 1.685 176.370 174.600 0.141 0.000 0.985 410 S CA 0.276 58.640 58.200 0.273 0.000 0.921 410 S CB -0.473 62.992 63.200 0.442 0.000 0.772 410 S HN 0.541 nan 8.310 nan 0.000 0.529 411 M N 0.944 120.567 119.600 0.037 0.000 2.557 411 M HA 0.134 4.614 4.480 -0.001 0.000 0.259 411 M C 1.747 178.197 176.300 0.250 0.000 1.086 411 M CA 0.748 56.098 55.300 0.083 0.000 1.096 411 M CB -0.127 32.485 32.600 0.021 0.000 1.424 411 M HN 0.252 nan 8.290 nan 0.000 0.488 412 R N -0.497 120.140 120.500 0.228 0.000 2.320 412 R HA 0.193 4.533 4.340 -0.001 0.000 0.211 412 R C -0.545 175.899 176.300 0.240 0.000 0.931 412 R CA 0.061 56.333 56.100 0.286 0.000 1.071 412 R CB 0.286 30.680 30.300 0.157 0.000 1.025 412 R HN 0.108 nan 8.270 nan 0.000 0.495 413 V N 1.463 121.433 119.914 0.093 0.000 2.932 413 V HA 0.197 4.316 4.120 -0.001 0.000 0.307 413 V C -2.362 173.446 176.094 -0.477 0.000 1.147 413 V CA -1.845 60.218 62.300 -0.394 0.000 0.951 413 V CB 2.742 34.480 31.823 -0.141 0.000 1.031 413 V HN -0.036 nan 8.190 nan 0.000 0.426 414 P HA 0.097 nan 4.420 nan 0.000 0.237 414 P C 0.282 177.486 177.300 -0.161 0.000 1.701 414 P CA 0.428 63.310 63.100 -0.365 0.000 0.955 414 P CB 0.326 31.797 31.700 -0.382 0.000 1.937 415 S N -1.164 114.476 115.700 -0.101 0.000 2.539 415 S HA 0.114 4.583 4.470 -0.001 0.000 0.226 415 S C 0.600 175.032 174.600 -0.280 0.000 1.054 415 S CA 0.162 58.256 58.200 -0.177 0.000 0.910 415 S CB 0.103 63.208 63.200 -0.157 0.000 0.818 415 S HN 0.454 nan 8.310 nan 0.000 0.490 416 H N -1.169 117.897 119.070 -0.007 0.000 2.941 416 H HA 0.547 5.102 4.556 -0.001 0.000 0.344 416 H C 1.056 176.363 175.328 -0.035 0.000 1.235 416 H CA -0.099 55.926 56.048 -0.038 0.000 1.149 416 H CB 1.386 31.187 29.762 0.066 0.000 1.885 416 H HN 0.094 nan 8.280 nan 0.000 0.558 417 A N 0.939 123.758 122.820 -0.002 0.000 1.915 417 A HA -0.272 4.048 4.320 -0.001 0.000 0.220 417 A C 1.723 179.365 177.584 0.096 0.000 1.198 417 A CA 2.424 54.422 52.037 -0.065 0.000 0.647 417 A CB -0.636 18.065 19.000 -0.499 0.000 0.825 417 A HN 0.818 nan 8.150 nan 0.000 0.456 418 D N -1.209 119.200 120.400 0.015 0.000 2.204 418 D HA -0.257 4.383 4.640 -0.001 0.000 0.189 418 D C 1.686 178.051 176.300 0.108 0.000 1.006 418 D CA 1.951 56.009 54.000 0.096 0.000 0.855 418 D CB -0.617 40.226 40.800 0.071 0.000 0.946 418 D HN 0.541 nan 8.370 nan 0.000 0.448 419 F N 1.811 121.778 119.950 0.028 0.000 2.043 419 F HA -0.271 4.255 4.527 -0.001 0.000 0.297 419 F C 2.678 178.481 175.800 0.004 0.000 1.121 419 F CA 1.712 59.722 58.000 0.017 0.000 1.199 419 F CB -0.125 38.887 39.000 0.021 0.000 0.968 419 F HN -0.154 nan 8.300 nan 0.000 0.478 420 Q N 0.390 120.305 119.800 0.192 0.000 2.084 420 Q HA -0.146 4.193 4.340 -0.001 0.000 0.202 420 Q C 2.487 178.428 176.000 -0.099 0.000 0.978 420 Q CA 1.435 57.253 55.803 0.025 0.000 0.844 420 Q CB -1.174 27.603 28.738 0.064 0.000 0.898 420 Q HN 0.568 nan 8.270 nan 0.000 0.426 421 A N 0.794 123.628 122.820 0.024 0.000 2.032 421 A HA -0.239 4.081 4.320 -0.001 0.000 0.221 421 A C 1.849 179.348 177.584 -0.141 0.000 1.165 421 A CA 1.737 53.768 52.037 -0.010 0.000 0.645 421 A CB -0.311 18.732 19.000 0.071 0.000 0.807 421 A HN 0.428 nan 8.150 nan 0.000 0.453 422 Q N -1.440 118.252 119.800 -0.180 0.000 2.352 422 Q HA 0.042 4.381 4.340 -0.001 0.000 0.212 422 Q C 1.537 177.400 176.000 -0.228 0.000 0.888 422 Q CA -0.024 55.655 55.803 -0.206 0.000 0.934 422 Q CB 0.201 28.825 28.738 -0.192 0.000 1.093 422 Q HN 0.497 nan 8.270 nan 0.000 0.523 423 Q N -0.105 119.530 119.800 -0.275 0.000 2.389 423 Q HA -0.141 4.198 4.340 -0.001 0.000 0.213 423 Q C 1.577 177.475 176.000 -0.169 0.000 0.989 423 Q CA 1.580 57.229 55.803 -0.256 0.000 0.891 423 Q CB -0.347 28.252 28.738 -0.231 0.000 0.923 423 Q HN 0.476 nan 8.270 nan 0.000 0.455 424 G N -0.873 107.838 108.800 -0.149 0.000 3.088 424 G HA2 0.263 4.222 3.960 -0.001 0.000 0.217 424 G HA3 0.263 4.222 3.960 -0.001 0.000 0.217 424 G C 0.265 175.107 174.900 -0.096 0.000 1.159 424 G CA -0.292 44.742 45.100 -0.111 0.000 0.760 424 G HN 0.140 nan 8.290 nan 0.000 0.550 425 L N 0.911 122.069 121.223 -0.108 0.000 2.289 425 L HA 0.446 4.786 4.340 -0.001 0.000 0.285 425 L C 1.752 178.579 176.870 -0.071 0.000 1.049 425 L CA -0.802 53.987 54.840 -0.085 0.000 0.804 425 L CB 1.762 43.766 42.059 -0.092 0.000 1.195 425 L HN 0.074 nan 8.230 nan 0.000 0.428 426 A N 2.267 125.057 122.820 -0.050 0.000 1.940 426 A HA -0.211 4.109 4.320 -0.001 0.000 0.219 426 A C 1.462 179.025 177.584 -0.035 0.000 1.176 426 A CA 1.929 53.943 52.037 -0.039 0.000 0.631 426 A CB -0.498 18.486 19.000 -0.027 0.000 0.814 426 A HN 0.926 nan 8.150 nan 0.000 0.446 427 D N -1.017 119.364 120.400 -0.031 0.000 2.319 427 D HA 0.027 4.666 4.640 -0.001 0.000 0.230 427 D C 1.245 177.527 176.300 -0.030 0.000 1.094 427 D CA 0.596 54.583 54.000 -0.022 0.000 0.856 427 D CB -0.048 40.747 40.800 -0.008 0.000 0.915 427 D HN 0.293 nan 8.370 nan 0.000 0.517 428 K N 1.416 121.783 120.400 -0.056 0.000 2.113 428 K HA -0.116 4.204 4.320 -0.001 0.000 0.208 428 K C -0.899 175.669 176.600 -0.053 0.000 1.047 428 K CA 1.381 57.622 56.287 -0.078 0.000 0.928 428 K CB -1.192 31.223 32.500 -0.141 0.000 0.716 428 K HN 0.200 nan 8.250 nan 0.000 0.446 429 P HA -0.071 nan 4.420 nan 0.000 0.217 429 P C 1.231 178.531 177.300 0.001 0.000 1.154 429 P CA 0.596 63.689 63.100 -0.013 0.000 0.841 429 P CB -0.035 31.659 31.700 -0.011 0.000 0.788 430 L N -0.499 120.722 121.223 -0.002 0.000 2.079 430 L HA -0.148 4.192 4.340 -0.001 0.000 0.210 430 L C 2.062 178.939 176.870 0.012 0.000 1.081 430 L CA 1.767 56.610 54.840 0.006 0.000 0.752 430 L CB -1.283 40.779 42.059 0.005 0.000 0.896 430 L HN -0.112 nan 8.230 nan 0.000 0.433 431 I N -0.702 119.875 120.570 0.012 0.000 2.193 431 I HA -0.240 3.930 4.170 -0.001 0.000 0.240 431 I C 2.016 178.152 176.117 0.033 0.000 1.084 431 I CA 1.285 62.601 61.300 0.026 0.000 1.365 431 I CB -0.490 37.526 38.000 0.028 0.000 1.064 431 I HN 0.235 nan 8.210 nan 0.000 0.410 432 D N 0.929 121.347 120.400 0.032 0.000 2.221 432 D HA -0.217 4.422 4.640 -0.001 0.000 0.204 432 D C 2.032 178.357 176.300 0.042 0.000 0.982 432 D CA 1.082 55.113 54.000 0.051 0.000 0.857 432 D CB -0.213 40.628 40.800 0.069 0.000 0.934 432 D HN 0.299 nan 8.370 nan 0.000 0.475 433 K N 1.014 121.431 120.400 0.030 0.000 2.103 433 K HA -0.094 4.226 4.320 -0.001 0.000 0.204 433 K C 1.804 178.413 176.600 0.015 0.000 1.052 433 K CA 0.671 56.972 56.287 0.023 0.000 0.945 433 K CB 0.215 32.726 32.500 0.018 0.000 0.722 433 K HN 0.146 nan 8.250 nan 0.000 0.443 434 E N 0.617 120.823 120.200 0.011 0.000 2.072 434 E HA -0.146 4.203 4.350 -0.001 0.000 0.191 434 E C 2.127 178.712 176.600 -0.025 0.000 0.985 434 E CA 0.987 57.382 56.400 -0.007 0.000 0.801 434 E CB -0.101 29.598 29.700 -0.002 0.000 0.750 434 E HN 0.303 nan 8.360 nan 0.000 0.452 435 I N 1.064 121.636 120.570 0.003 0.000 2.208 435 I HA -0.224 3.945 4.170 -0.001 0.000 0.245 435 I C 2.526 178.648 176.117 0.009 0.000 1.097 435 I CA 1.334 62.638 61.300 0.008 0.000 1.363 435 I CB -0.494 37.542 38.000 0.061 0.000 1.051 435 I HN 0.166 nan 8.210 nan 0.000 0.413 436 G N -0.005 108.809 108.800 0.023 0.000 2.422 436 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.218 436 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.218 436 G C 1.518 176.436 174.900 0.030 0.000 1.140 436 G CA 0.348 45.467 45.100 0.032 0.000 0.775 436 G HN 0.412 nan 8.290 nan 0.000 0.545 437 E N -0.233 119.973 120.200 0.009 0.000 2.046 437 E HA -0.035 4.314 4.350 -0.001 0.000 0.190 437 E C 2.584 179.181 176.600 -0.006 0.000 0.982 437 E CA 0.612 57.017 56.400 0.010 0.000 0.800 437 E CB -0.194 29.504 29.700 -0.005 0.000 0.756 437 E HN 0.221 nan 8.360 nan 0.000 0.449 438 V N 1.216 121.080 119.914 -0.084 0.000 2.407 438 V HA -0.198 3.922 4.120 -0.001 0.000 0.248 438 V C 2.039 178.121 176.094 -0.021 0.000 1.055 438 V CA 1.183 63.370 62.300 -0.189 0.000 1.049 438 V CB -0.113 31.382 31.823 -0.547 0.000 0.662 438 V HN 0.200 nan 8.190 nan 0.000 0.455 439 L N -0.330 120.922 121.223 0.048 0.000 2.549 439 L HA 0.107 4.447 4.340 -0.001 0.000 0.229 439 L C 1.865 178.854 176.870 0.198 0.000 1.158 439 L CA 1.809 56.742 54.840 0.156 0.000 0.842 439 L CB -0.398 41.752 42.059 0.152 0.000 0.952 439 L HN 0.344 nan 8.230 nan 0.000 0.452 440 A N -2.961 119.979 122.820 0.200 0.000 2.140 440 A HA 0.171 4.491 4.320 -0.001 0.000 0.199 440 A C 1.227 178.975 177.584 0.273 0.000 1.416 440 A CA 0.490 52.670 52.037 0.238 0.000 1.018 440 A CB -0.189 18.914 19.000 0.173 0.000 1.117 440 A HN 0.283 nan 8.150 nan 0.000 0.480 441 T N -1.158 113.506 114.554 0.184 0.000 2.855 441 T HA 0.190 4.539 4.350 -0.001 0.000 0.314 441 T C 0.633 175.407 174.700 0.123 0.000 1.077 441 T CA 0.617 62.818 62.100 0.169 0.000 1.095 441 T CB 0.305 69.211 68.868 0.063 0.000 0.987 441 T HN 0.397 nan 8.240 nan 0.000 0.546 442 H N -0.045 119.050 119.070 0.042 0.000 2.893 442 H HA 0.325 4.880 4.556 -0.001 0.000 0.270 442 H C -0.231 175.085 175.328 -0.020 0.000 1.095 442 H CA -0.252 55.799 56.048 0.006 0.000 1.186 442 H CB 0.310 30.102 29.762 0.051 0.000 1.562 442 H HN 0.633 nan 8.280 nan 0.000 0.536 443 D N 0.040 120.491 120.400 0.084 0.000 2.304 443 D HA -0.000 4.639 4.640 -0.001 0.000 0.250 443 D C 1.290 177.593 176.300 0.006 0.000 1.107 443 D CA 0.083 54.111 54.000 0.047 0.000 0.885 443 D CB 1.391 42.216 40.800 0.042 0.000 1.192 443 D HN 0.022 nan 8.370 nan 0.000 0.436 444 E N 0.989 121.203 120.200 0.023 0.000 2.033 444 E HA -0.113 4.237 4.350 -0.001 0.000 0.189 444 E C 1.932 178.564 176.600 0.053 0.000 0.979 444 E CA 1.857 58.281 56.400 0.039 0.000 0.802 444 E CB -0.338 29.399 29.700 0.063 0.000 0.763 444 E HN 0.713 nan 8.360 nan 0.000 0.449 445 T N -1.227 113.357 114.554 0.050 0.000 2.720 445 T HA -0.274 4.076 4.350 -0.001 0.000 0.268 445 T C 1.989 176.709 174.700 0.033 0.000 1.037 445 T CA 1.693 63.824 62.100 0.052 0.000 1.144 445 T CB -0.373 68.521 68.868 0.043 0.000 0.864 445 T HN 0.219 nan 8.240 nan 0.000 0.444 446 Q N 1.128 120.936 119.800 0.013 0.000 2.050 446 Q HA -0.138 4.201 4.340 -0.001 0.000 0.202 446 Q C 2.629 178.600 176.000 -0.049 0.000 0.980 446 Q CA 1.476 57.274 55.803 -0.007 0.000 0.840 446 Q CB -0.272 28.463 28.738 -0.005 0.000 0.898 446 Q HN 0.634 nan 8.270 nan 0.000 0.424 447 R N -0.229 120.217 120.500 -0.090 0.000 2.139 447 R HA -0.225 4.115 4.340 -0.001 0.000 0.243 447 R C 2.081 178.265 176.300 -0.193 0.000 1.145 447 R CA 2.051 58.021 56.100 -0.218 0.000 0.976 447 R CB -0.011 30.127 30.300 -0.272 0.000 0.866 447 R HN 0.467 nan 8.270 nan 0.000 0.449 448 Q N -0.582 119.199 119.800 -0.033 0.000 2.062 448 Q HA -0.006 4.333 4.340 -0.001 0.000 0.196 448 Q C 2.225 178.288 176.000 0.107 0.000 0.967 448 Q CA 1.293 57.170 55.803 0.124 0.000 0.832 448 Q CB -0.060 28.800 28.738 0.203 0.000 0.899 448 Q HN 0.426 nan 8.270 nan 0.000 0.442 449 A N 0.975 123.829 122.820 0.057 0.000 1.908 449 A HA -0.197 4.122 4.320 -0.001 0.000 0.218 449 A C 2.062 179.668 177.584 0.036 0.000 1.181 449 A CA 1.270 53.336 52.037 0.048 0.000 0.627 449 A CB -0.755 18.262 19.000 0.030 0.000 0.818 449 A HN 0.290 nan 8.150 nan 0.000 0.445 450 L N -2.504 118.708 121.223 -0.018 0.000 2.027 450 L HA -0.183 4.156 4.340 -0.001 0.000 0.206 450 L C 2.615 179.475 176.870 -0.016 0.000 1.074 450 L CA 1.571 56.375 54.840 -0.060 0.000 0.745 450 L CB -0.638 41.322 42.059 -0.164 0.000 0.898 450 L HN 0.504 nan 8.230 nan 0.000 0.433 451 Y N -0.246 120.045 120.300 -0.015 0.000 2.181 451 Y HA -0.307 4.243 4.550 -0.001 0.000 0.288 451 Y C 2.932 178.883 175.900 0.086 0.000 1.146 451 Y CA 1.290 59.413 58.100 0.038 0.000 1.164 451 Y CB -0.160 38.300 38.460 -0.001 0.000 0.982 451 Y HN 0.097 nan 8.280 nan 0.000 0.515 452 R N 0.612 121.257 120.500 0.241 0.000 2.094 452 R HA -0.255 4.084 4.340 -0.001 0.000 0.239 452 R C 1.831 178.213 176.300 0.137 0.000 1.137 452 R CA 2.412 58.613 56.100 0.168 0.000 0.943 452 R CB -0.556 29.818 30.300 0.123 0.000 0.850 452 R HN 0.331 nan 8.270 nan 0.000 0.433 453 D N -0.207 120.258 120.400 0.108 0.000 2.084 453 D HA -0.148 4.491 4.640 -0.001 0.000 0.194 453 D C 1.983 178.345 176.300 0.103 0.000 0.990 453 D CA 1.933 55.985 54.000 0.087 0.000 0.826 453 D CB -0.061 40.773 40.800 0.058 0.000 0.971 453 D HN 0.330 nan 8.370 nan 0.000 0.453 454 I N 0.176 120.816 120.570 0.117 0.000 2.118 454 I HA -0.303 3.867 4.170 -0.001 0.000 0.241 454 I C 2.422 178.643 176.117 0.173 0.000 1.070 454 I CA 0.982 62.364 61.300 0.136 0.000 1.327 454 I CB -0.405 37.693 38.000 0.162 0.000 1.034 454 I HN 0.158 nan 8.210 nan 0.000 0.405 455 L N -0.219 121.133 121.223 0.215 0.000 2.141 455 L HA -0.146 4.193 4.340 -0.001 0.000 0.209 455 L C 2.562 179.541 176.870 0.182 0.000 1.094 455 L CA 1.323 56.297 54.840 0.222 0.000 0.763 455 L CB -0.898 41.316 42.059 0.258 0.000 0.908 455 L HN 0.275 nan 8.230 nan 0.000 0.437 456 T N -0.841 113.799 114.554 0.143 0.000 2.904 456 T HA -0.096 4.254 4.350 -0.001 0.000 0.267 456 T C 2.054 176.841 174.700 0.144 0.000 1.059 456 T CA 0.884 63.058 62.100 0.123 0.000 1.137 456 T CB -0.039 68.881 68.868 0.087 0.000 0.879 456 T HN 0.262 nan 8.240 nan 0.000 0.467 457 R N 0.618 121.190 120.500 0.120 0.000 2.061 457 R HA 0.093 4.432 4.340 -0.001 0.000 0.230 457 R C 2.426 178.784 176.300 0.096 0.000 1.140 457 R CA 1.084 57.239 56.100 0.091 0.000 0.940 457 R CB -0.627 29.715 30.300 0.070 0.000 0.839 457 R HN 0.312 nan 8.270 nan 0.000 0.429 458 L N 0.024 121.321 121.223 0.124 0.000 2.189 458 L HA -0.267 4.072 4.340 -0.001 0.000 0.214 458 L C 2.664 179.615 176.870 0.135 0.000 1.097 458 L CA 1.188 56.104 54.840 0.127 0.000 0.764 458 L CB -0.604 41.592 42.059 0.229 0.000 0.900 458 L HN 0.414 nan 8.230 nan 0.000 0.436 459 H N -0.122 118.991 119.070 0.071 0.000 2.399 459 H HA -0.083 4.472 4.556 -0.001 0.000 0.300 459 H C 1.474 176.813 175.328 0.018 0.000 1.048 459 H CA 1.087 57.167 56.048 0.053 0.000 1.370 459 H CB 0.407 30.204 29.762 0.059 0.000 1.428 459 H HN 0.274 nan 8.280 nan 0.000 0.534 460 D N 0.803 121.282 120.400 0.132 0.000 2.264 460 D HA -0.091 4.549 4.640 -0.001 0.000 0.208 460 D C 1.369 177.658 176.300 -0.017 0.000 0.966 460 D CA 0.778 54.816 54.000 0.064 0.000 0.864 460 D CB -0.082 40.770 40.800 0.087 0.000 0.933 460 D HN 0.582 nan 8.370 nan 0.000 0.499 461 E N -0.100 120.083 120.200 -0.029 0.000 2.479 461 E HA 0.286 4.635 4.350 -0.001 0.000 0.193 461 E C 0.567 177.102 176.600 -0.108 0.000 1.049 461 E CA 0.192 56.557 56.400 -0.058 0.000 0.870 461 E CB 0.350 30.020 29.700 -0.051 0.000 0.944 461 E HN 0.105 nan 8.360 nan 0.000 0.492 462 A N 0.553 123.283 122.820 -0.149 0.000 2.745 462 A HA -0.227 4.092 4.320 -0.001 0.000 0.296 462 A C 1.492 178.957 177.584 -0.198 0.000 1.500 462 A CA 0.599 52.523 52.037 -0.188 0.000 0.766 462 A CB -2.426 16.472 19.000 -0.169 0.000 1.030 462 A HN 0.216 nan 8.150 nan 0.000 0.489 463 V N -2.052 117.712 119.914 -0.251 0.000 2.332 463 V HA -0.180 3.940 4.120 -0.001 0.000 0.248 463 V C 1.387 177.119 176.094 -0.602 0.000 1.055 463 V CA 2.343 64.354 62.300 -0.481 0.000 1.038 463 V CB -0.669 30.704 31.823 -0.750 0.000 0.651 463 V HN 0.696 nan 8.190 nan 0.000 0.450 464 Y N -2.100 118.149 120.300 -0.085 0.000 2.631 464 Y HA 0.664 5.214 4.550 -0.001 0.000 0.328 464 Y C -0.109 175.714 175.900 -0.129 0.000 1.118 464 Y CA -1.157 56.888 58.100 -0.092 0.000 1.206 464 Y CB 1.406 39.820 38.460 -0.078 0.000 1.337 464 Y HN -0.186 nan 8.280 nan 0.000 0.515 465 L N 3.552 124.807 121.223 0.053 0.000 2.417 465 L HA 0.482 4.821 4.340 -0.001 0.000 0.259 465 L C -2.921 173.907 176.870 -0.069 0.000 1.023 465 L CA -1.978 52.830 54.840 -0.053 0.000 0.901 465 L CB 1.408 43.409 42.059 -0.096 0.000 1.227 465 L HN 0.336 nan 8.230 nan 0.000 0.454 466 P HA 0.193 nan 4.420 nan 0.000 0.270 466 P C 0.443 177.648 177.300 -0.159 0.000 1.242 466 P CA 0.190 63.211 63.100 -0.132 0.000 0.768 466 P CB 1.058 32.686 31.700 -0.120 0.000 0.820 467 I N 0.470 120.940 120.570 -0.168 0.000 2.956 467 I HA 0.062 4.231 4.170 -0.001 0.000 0.233 467 I C 1.047 177.027 176.117 -0.228 0.000 1.054 467 I CA 0.929 62.142 61.300 -0.144 0.000 1.456 467 I CB -0.138 37.827 38.000 -0.058 0.000 1.297 467 I HN 0.309 nan 8.210 nan 0.000 0.448 468 S N -1.864 113.677 115.700 -0.265 0.000 2.625 468 S HA 0.492 4.961 4.470 -0.001 0.000 0.271 468 S C -1.702 172.676 174.600 -0.370 0.000 1.161 468 S CA -0.555 57.428 58.200 -0.361 0.000 0.820 468 S CB 0.997 64.084 63.200 -0.188 0.000 1.137 468 S HN 0.075 nan 8.310 nan 0.000 0.470 469 Y N 2.496 122.757 120.300 -0.066 0.000 2.327 469 Y HA 0.536 5.086 4.550 -0.001 0.000 0.336 469 Y C 0.618 176.467 175.900 -0.084 0.000 1.035 469 Y CA -0.850 57.205 58.100 -0.075 0.000 1.165 469 Y CB 0.432 38.853 38.460 -0.066 0.000 1.181 469 Y HN 0.587 nan 8.280 nan 0.000 0.494 470 I N 0.018 120.618 120.570 0.050 0.000 2.863 470 I HA 0.937 5.106 4.170 -0.001 0.000 0.311 470 I C -0.361 175.718 176.117 -0.063 0.000 1.026 470 I CA -0.823 60.457 61.300 -0.035 0.000 1.077 470 I CB 2.400 40.355 38.000 -0.075 0.000 1.262 470 I HN 0.497 nan 8.210 nan 0.000 0.461 471 S N 3.605 119.235 115.700 -0.118 0.000 2.667 471 S HA 0.606 5.075 4.470 -0.001 0.000 0.292 471 S C -0.385 174.086 174.600 -0.215 0.000 1.126 471 S CA -1.095 57.007 58.200 -0.163 0.000 0.881 471 S CB 1.538 64.636 63.200 -0.171 0.000 1.132 471 S HN 0.634 nan 8.310 nan 0.000 0.492 472 M N 1.831 121.270 119.600 -0.269 0.000 2.245 472 M HA 0.310 4.789 4.480 -0.001 0.000 0.344 472 M C -0.130 175.989 176.300 -0.302 0.000 1.170 472 M CA 0.368 55.487 55.300 -0.303 0.000 1.135 472 M CB 0.318 32.701 32.600 -0.361 0.000 1.574 472 M HN 0.966 nan 8.290 nan 0.000 0.452 473 M N 1.687 121.081 119.600 -0.343 0.000 2.591 473 M HA 0.873 5.353 4.480 -0.001 0.000 0.306 473 M C -1.487 174.659 176.300 -0.257 0.000 1.190 473 M CA -0.838 54.270 55.300 -0.319 0.000 0.889 473 M CB 2.106 34.314 32.600 -0.654 0.000 1.728 473 M HN 0.280 nan 8.290 nan 0.000 0.458 474 V N 1.647 121.531 119.914 -0.051 0.000 2.925 474 V HA 0.789 4.908 4.120 -0.001 0.000 0.311 474 V C -1.118 175.018 176.094 0.070 0.000 1.104 474 V CA -0.718 61.557 62.300 -0.041 0.000 0.954 474 V CB 2.384 34.199 31.823 -0.014 0.000 1.022 474 V HN 0.793 nan 8.190 nan 0.000 0.427 475 V N 2.866 122.768 119.914 -0.021 0.000 2.555 475 V HA 0.640 4.759 4.120 -0.001 0.000 0.283 475 V C -0.380 175.654 176.094 -0.101 0.000 1.020 475 V CA -0.225 61.984 62.300 -0.152 0.000 0.883 475 V CB 1.669 33.215 31.823 -0.461 0.000 1.030 475 V HN 1.062 nan 8.190 nan 0.000 0.448 476 S N 3.465 119.322 115.700 0.261 0.000 2.627 476 S HA 0.694 5.164 4.470 -0.001 0.000 0.283 476 S C -0.780 174.139 174.600 0.533 0.000 1.127 476 S CA -1.182 57.308 58.200 0.483 0.000 0.863 476 S CB 2.110 65.491 63.200 0.302 0.000 1.121 476 S HN 0.467 nan 8.310 nan 0.000 0.479 477 K N 1.062 121.690 120.400 0.380 0.000 2.414 477 K HA 0.165 4.484 4.320 -0.001 0.000 0.272 477 K C -1.875 174.818 176.600 0.155 0.000 0.993 477 K CA -1.482 54.927 56.287 0.204 0.000 0.964 477 K CB 0.097 32.636 32.500 0.065 0.000 0.925 477 K HN 0.367 nan 8.250 nan 0.000 0.487 478 P HA -0.221 nan 4.420 nan 0.000 0.221 478 P C 0.825 178.109 177.300 -0.026 0.000 1.145 478 P CA 1.130 64.252 63.100 0.036 0.000 0.795 478 P CB 0.168 31.884 31.700 0.027 0.000 0.775 479 E N 0.260 120.456 120.200 -0.007 0.000 2.150 479 E HA -0.130 4.220 4.350 -0.001 0.000 0.193 479 E C 1.903 178.492 176.600 -0.018 0.000 0.985 479 E CA 0.981 57.370 56.400 -0.018 0.000 0.814 479 E CB -1.365 28.329 29.700 -0.010 0.000 0.752 479 E HN 0.292 nan 8.360 nan 0.000 0.466 480 L N 0.911 122.136 121.223 0.003 0.000 2.263 480 L HA -0.111 4.228 4.340 -0.001 0.000 0.216 480 L C 1.492 178.346 176.870 -0.026 0.000 1.111 480 L CA 1.047 55.895 54.840 0.013 0.000 0.773 480 L CB -1.002 41.093 42.059 0.060 0.000 0.906 480 L HN 0.424 nan 8.230 nan 0.000 0.439 481 G N -0.201 108.546 108.800 -0.089 0.000 2.587 481 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.212 481 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.212 481 G C -0.475 174.287 174.900 -0.230 0.000 1.327 481 G CA -0.263 44.752 45.100 -0.141 0.000 0.898 481 G HN 0.278 nan 8.290 nan 0.000 0.551 482 N N 0.533 119.135 118.700 -0.163 0.000 2.414 482 N HA 0.393 5.132 4.740 -0.001 0.000 0.256 482 N C 0.196 175.672 175.510 -0.057 0.000 1.029 482 N CA -0.816 52.168 53.050 -0.110 0.000 0.948 482 N CB 0.135 38.587 38.487 -0.058 0.000 1.102 482 N HN 0.409 nan 8.380 nan 0.000 0.496 483 I N 4.989 125.546 120.570 -0.021 0.000 2.416 483 I HA 0.274 4.444 4.170 -0.001 0.000 0.288 483 I C -1.936 174.045 176.117 -0.227 0.000 1.051 483 I CA -2.266 59.001 61.300 -0.056 0.000 1.375 483 I CB 0.223 38.250 38.000 0.045 0.000 1.407 483 I HN 0.361 nan 8.210 nan 0.000 0.516 484 P HA 0.383 nan 4.420 nan 0.000 0.282 484 P C -1.469 175.680 177.300 -0.252 0.000 1.287 484 P CA -0.374 62.566 63.100 -0.267 0.000 0.792 484 P CB 0.531 32.177 31.700 -0.091 0.000 1.163 485 Y N -0.927 119.439 120.300 0.111 0.000 2.350 485 Y HA 0.581 5.130 4.550 -0.001 0.000 0.338 485 Y C 0.599 176.552 175.900 0.089 0.000 0.961 485 Y CA -1.403 56.791 58.100 0.156 0.000 1.100 485 Y CB 1.260 39.791 38.460 0.118 0.000 1.179 485 Y HN 0.313 nan 8.280 nan 0.000 0.454 486 A N 4.572 127.524 122.820 0.220 0.000 2.462 486 A HA 0.228 4.548 4.320 -0.001 0.000 0.243 486 A C -1.701 175.983 177.584 0.167 0.000 1.076 486 A CA -1.083 51.028 52.037 0.123 0.000 0.773 486 A CB 0.112 19.145 19.000 0.055 0.000 1.010 486 A HN 0.674 nan 8.150 nan 0.000 0.493 487 P HA -0.067 nan 4.420 nan 0.000 0.219 487 P C 0.022 177.497 177.300 0.292 0.000 1.146 487 P CA 0.974 64.184 63.100 0.183 0.000 0.808 487 P CB 0.007 31.751 31.700 0.073 0.000 0.779 488 I N -0.162 120.563 120.570 0.258 0.000 2.278 488 I HA 0.129 4.298 4.170 -0.001 0.000 0.296 488 I C 1.463 177.697 176.117 0.195 0.000 1.121 488 I CA -0.538 60.895 61.300 0.221 0.000 1.267 488 I CB 0.594 38.694 38.000 0.167 0.000 1.447 488 I HN -0.079 nan 8.210 nan 0.000 0.509 489 A N 4.389 127.328 122.820 0.199 0.000 2.171 489 A HA -0.271 4.048 4.320 -0.001 0.000 0.223 489 A C 2.193 179.880 177.584 0.171 0.000 1.166 489 A CA 2.602 54.739 52.037 0.168 0.000 0.668 489 A CB -0.807 18.282 19.000 0.147 0.000 0.807 489 A HN 0.780 nan 8.150 nan 0.000 0.475 490 T N -3.030 111.630 114.554 0.176 0.000 3.037 490 T HA 0.184 4.534 4.350 -0.001 0.000 0.251 490 T C 0.473 175.265 174.700 0.153 0.000 1.079 490 T CA 0.255 62.450 62.100 0.158 0.000 1.067 490 T CB -0.040 68.900 68.868 0.121 0.000 0.948 490 T HN 0.581 nan 8.240 nan 0.000 0.496 491 E N 0.897 121.169 120.200 0.121 0.000 2.283 491 E HA 0.527 4.876 4.350 -0.001 0.000 0.271 491 E C -0.811 175.746 176.600 -0.072 0.000 1.031 491 E CA -0.644 55.790 56.400 0.058 0.000 0.868 491 E CB 1.661 31.387 29.700 0.044 0.000 1.094 491 E HN 0.377 nan 8.360 nan 0.000 0.401 492 I N 3.465 123.879 120.570 -0.259 0.000 2.390 492 I HA 0.153 4.322 4.170 -0.001 0.000 0.283 492 I C -1.853 173.816 176.117 -0.747 0.000 1.016 492 I CA -2.255 58.534 61.300 -0.852 0.000 1.151 492 I CB 1.490 38.720 38.000 -1.283 0.000 1.293 492 I HN 0.243 nan 8.210 nan 0.000 0.458 493 P HA -0.088 nan 4.420 nan 0.000 0.272 493 P C 0.903 178.059 177.300 -0.240 0.000 1.542 493 P CA 0.493 63.428 63.100 -0.276 0.000 0.846 493 P CB -0.354 31.245 31.700 -0.168 0.000 1.782 494 F N 2.294 122.118 119.950 -0.211 0.000 2.015 494 F HA -0.289 4.237 4.527 -0.001 0.000 0.297 494 F C 2.760 178.623 175.800 0.105 0.000 1.141 494 F CA 1.984 59.872 58.000 -0.187 0.000 1.192 494 F CB -0.951 37.736 39.000 -0.521 0.000 0.957 494 F HN 0.142 nan 8.300 nan 0.000 0.491 495 E N 1.776 122.334 120.200 0.595 0.000 2.172 495 E HA -0.370 3.980 4.350 -0.001 0.000 0.213 495 E C 1.411 178.161 176.600 0.249 0.000 1.051 495 E CA 2.217 58.938 56.400 0.536 0.000 0.860 495 E CB -1.297 28.591 29.700 0.313 0.000 0.755 495 E HN 0.775 nan 8.360 nan 0.000 0.462 496 Q N 0.425 120.317 119.800 0.153 0.000 2.247 496 Q HA 0.316 4.655 4.340 -0.001 0.000 0.205 496 Q C 0.592 176.629 176.000 0.061 0.000 0.896 496 Q CA -0.192 55.662 55.803 0.085 0.000 0.950 496 Q CB -0.174 28.597 28.738 0.055 0.000 1.054 496 Q HN 0.264 nan 8.270 nan 0.000 0.482 497 I N 3.592 124.214 120.570 0.088 0.000 2.322 497 I HA 0.088 4.257 4.170 -0.001 0.000 0.292 497 I C -0.155 176.003 176.117 0.069 0.000 1.060 497 I CA -0.409 60.926 61.300 0.059 0.000 1.309 497 I CB 0.674 38.715 38.000 0.067 0.000 1.415 497 I HN 0.221 nan 8.210 nan 0.000 0.492 498 K N 8.609 129.032 120.400 0.037 0.000 2.206 498 K HA 0.647 4.967 4.320 -0.001 0.000 0.264 498 K C -2.778 173.832 176.600 0.018 0.000 0.967 498 K CA -1.567 54.738 56.287 0.030 0.000 0.844 498 K CB 1.587 34.097 32.500 0.017 0.000 1.099 498 K HN 0.205 nan 8.250 nan 0.000 0.441 499 P HA 0.000 nan 4.420 nan 0.000 0.216 499 P CA 0.000 63.107 63.100 0.012 0.000 0.800 499 P CB 0.000 31.712 31.700 0.021 0.000 0.726