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 1u0v_1_B DATA FIRST_RESID 10 DATA SEQUENCE AQRAEGPATI LAIGTANPAN CVEQSTYPDF YFKITNSEHK TELKEKFQRM DATA SEQUENCE CDKSMIKRRY MYLTEEILKE NPNVCEYMAP SLDARQAMLA MEVPRLGKEA DATA SEQUENCE AVKAIKEWGQ PKSKITHLIV CSTTTPDLPG ADYQLTKLLG LRPYVKRVGV DATA SEQUENCE FQHGCFAGGT VLRLAKDLAE NNKGARVLVV CSEVTAVTFR GPSDTHLDSL DATA SEQUENCE VGQALFGDGA AALIVGSDPV PEIEKPIFEM VWTAQTIAPD SEGAIDGHLR DATA SEQUENCE EAGLTFHLKG AVPDIVSKNI TKALVEAFEP LGISDYNSIF WIAHPGGPAI DATA SEQUENCE LDQVEQKLAL KPEKMNATRE VLSEYGNMSS ACVLFILDEM RKKSTQNGLK DATA SEQUENCE TTGEGLEWGV LFGFGPGLTI ETVVLRSVAI 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.595 177.584 0.018 0.000 1.274 10 A CA 0.000 52.046 52.037 0.014 0.000 0.836 10 A CB 0.000 19.008 19.000 0.014 0.000 0.831 11 Q N 0.392 120.203 119.800 0.018 0.000 2.204 11 Q HA 0.018 4.358 4.340 0.000 0.000 0.198 11 Q C 1.207 177.221 176.000 0.023 0.000 0.946 11 Q CA 0.962 56.779 55.803 0.023 0.000 0.859 11 Q CB 0.079 28.831 28.738 0.022 0.000 0.946 11 Q HN 0.880 nan 8.270 nan 0.000 0.474 12 R N 0.078 120.588 120.500 0.016 0.000 2.560 12 R HA 0.558 4.898 4.340 0.000 0.000 0.270 12 R C -0.195 176.112 176.300 0.012 0.000 1.074 12 R CA -0.012 56.095 56.100 0.012 0.000 1.140 12 R CB 0.633 30.938 30.300 0.008 0.000 1.073 12 R HN -0.128 nan 8.270 nan 0.000 0.527 13 A N 1.522 124.346 122.820 0.008 0.000 2.259 13 A HA 0.186 4.507 4.320 0.000 0.000 0.278 13 A C 0.322 177.911 177.584 0.009 0.000 1.107 13 A CA -0.497 51.545 52.037 0.009 0.000 0.828 13 A CB 0.567 19.568 19.000 0.003 0.000 1.111 13 A HN 0.992 nan 8.150 nan 0.000 0.498 14 E N -0.131 120.076 120.200 0.012 0.000 2.110 14 E HA 0.174 4.524 4.350 0.000 0.000 0.193 14 E C 1.172 177.781 176.600 0.015 0.000 0.950 14 E CA 0.539 56.947 56.400 0.014 0.000 0.840 14 E CB 0.077 29.786 29.700 0.015 0.000 0.809 14 E HN 0.760 nan 8.360 nan 0.000 0.465 15 G N 1.602 110.411 108.800 0.015 0.000 2.642 15 G HA2 0.327 4.287 3.960 0.000 0.000 0.291 15 G HA3 0.327 4.287 3.960 0.000 0.000 0.291 15 G C -2.506 172.404 174.900 0.017 0.000 1.345 15 G CA -1.098 44.013 45.100 0.018 0.000 1.043 15 G HN -0.082 nan 8.290 nan 0.000 0.528 16 P HA 0.321 nan 4.420 nan 0.000 0.275 16 P C -0.224 177.084 177.300 0.013 0.000 1.227 16 P CA 0.008 63.123 63.100 0.025 0.000 0.781 16 P CB 1.124 32.850 31.700 0.043 0.000 0.906 17 A N 3.331 126.152 122.820 0.001 0.000 2.524 17 A HA 0.351 4.671 4.320 0.000 0.000 0.250 17 A C 0.371 177.956 177.584 0.002 0.000 1.078 17 A CA 0.548 52.577 52.037 -0.015 0.000 0.761 17 A CB -0.686 18.292 19.000 -0.037 0.000 1.012 17 A HN 0.539 nan 8.150 nan 0.000 0.500 18 T N 3.184 117.736 114.554 -0.002 0.000 2.863 18 T HA 0.481 4.831 4.350 0.000 0.000 0.285 18 T C -0.012 174.688 174.700 0.000 0.000 1.009 18 T CA -0.229 61.880 62.100 0.016 0.000 0.989 18 T CB 1.025 69.903 68.868 0.016 0.000 1.004 18 T HN 0.461 nan 8.240 nan 0.000 0.455 19 I N 3.717 124.308 120.570 0.035 0.000 2.379 19 I HA 0.157 4.327 4.170 0.000 0.000 0.290 19 I C 0.822 176.938 176.117 -0.001 0.000 1.063 19 I CA -0.077 61.234 61.300 0.019 0.000 1.351 19 I CB 0.676 38.738 38.000 0.103 0.000 1.410 19 I HN 0.563 nan 8.210 nan 0.000 0.505 20 L N 6.587 127.780 121.223 -0.049 0.000 2.616 20 L HA 0.472 4.812 4.340 0.000 0.000 0.229 20 L C 0.638 177.505 176.870 -0.005 0.000 1.110 20 L CA 0.052 54.881 54.840 -0.020 0.000 0.884 20 L CB -0.017 42.035 42.059 -0.012 0.000 1.115 20 L HN 0.737 nan 8.230 nan 0.000 0.481 21 A N 0.421 123.214 122.820 -0.045 0.000 2.583 21 A HA 0.756 5.076 4.320 0.000 0.000 0.292 21 A C -1.537 176.019 177.584 -0.048 0.000 1.045 21 A CA -0.383 51.639 52.037 -0.025 0.000 0.672 21 A CB 1.231 20.233 19.000 0.004 0.000 1.283 21 A HN 0.010 nan 8.150 nan 0.000 0.419 22 I N 0.549 121.092 120.570 -0.044 0.000 2.644 22 I HA 0.633 4.803 4.170 0.000 0.000 0.291 22 I C 0.200 176.256 176.117 -0.101 0.000 1.180 22 I CA -0.486 60.770 61.300 -0.073 0.000 1.040 22 I CB 2.635 40.603 38.000 -0.053 0.000 1.255 22 I HN 0.969 nan 8.210 nan 0.000 0.422 23 G N 2.697 111.414 108.800 -0.140 0.000 2.682 23 G HA2 0.761 4.721 3.960 0.000 0.000 0.300 23 G HA3 0.761 4.721 3.960 0.000 0.000 0.300 23 G C -0.962 173.786 174.900 -0.254 0.000 1.391 23 G CA -0.501 44.503 45.100 -0.159 0.000 0.990 23 G HN 0.588 nan 8.290 nan 0.000 0.501 24 T N -1.875 112.488 114.554 -0.317 0.000 2.901 24 T HA 0.909 5.259 4.350 0.000 0.000 0.293 24 T C -0.363 174.209 174.700 -0.213 0.000 1.084 24 T CA -0.364 61.461 62.100 -0.458 0.000 1.008 24 T CB 2.156 70.335 68.868 -1.149 0.000 1.170 24 T HN 1.981 nan 8.240 nan 0.000 0.509 25 A N 1.317 124.090 122.820 -0.078 0.000 2.594 25 A HA 0.841 5.161 4.320 0.000 0.000 0.295 25 A C -1.451 176.188 177.584 0.092 0.000 1.071 25 A CA -1.095 50.947 52.037 0.009 0.000 0.685 25 A CB 1.330 20.330 19.000 -0.000 0.000 1.285 25 A HN 0.943 nan 8.150 nan 0.000 0.405 26 N N 0.338 119.053 118.700 0.024 0.000 2.396 26 N HA 0.686 5.426 4.740 0.000 0.000 0.275 26 N C -3.148 172.391 175.510 0.049 0.000 1.218 26 N CA -1.183 51.876 53.050 0.015 0.000 0.812 26 N CB 1.897 40.267 38.487 -0.195 0.000 1.592 26 N HN 0.400 nan 8.380 nan 0.000 0.480 27 P HA 0.100 nan 4.420 nan 0.000 0.269 27 P C -0.032 177.390 177.300 0.203 0.000 1.215 27 P CA -0.185 63.024 63.100 0.181 0.000 0.780 27 P CB 0.594 32.435 31.700 0.235 0.000 0.898 28 A N 2.174 125.090 122.820 0.160 0.000 2.015 28 A HA -0.133 4.188 4.320 0.000 0.000 0.219 28 A C 1.177 178.876 177.584 0.192 0.000 1.163 28 A CA 0.977 53.109 52.037 0.159 0.000 0.646 28 A CB -1.060 18.000 19.000 0.099 0.000 0.806 28 A HN 0.635 nan 8.150 nan 0.000 0.448 29 N N 0.130 118.924 118.700 0.155 0.000 2.406 29 N HA 0.137 4.878 4.740 0.000 0.000 0.265 29 N C -0.685 174.855 175.510 0.051 0.000 1.203 29 N CA -0.083 53.015 53.050 0.079 0.000 0.945 29 N CB -0.011 38.490 38.487 0.022 0.000 1.165 29 N HN 0.282 nan 8.380 nan 0.000 0.485 30 C N 4.735 124.016 119.300 -0.031 0.000 2.347 30 C HA 0.551 5.011 4.460 0.000 0.000 0.353 30 C C -0.298 174.529 174.990 -0.271 0.000 1.273 30 C CA -0.546 58.286 59.018 -0.309 0.000 1.861 30 C CB -0.863 26.742 27.740 -0.226 0.000 2.420 30 C HN 0.487 nan 8.230 nan 0.000 0.542 31 V N 7.787 127.496 119.914 -0.342 0.000 2.350 31 V HA 0.341 4.462 4.120 0.000 0.000 0.285 31 V C -0.069 175.896 176.094 -0.215 0.000 1.014 31 V CA -0.379 61.779 62.300 -0.236 0.000 0.831 31 V CB 1.116 32.811 31.823 -0.214 0.000 1.000 31 V HN 0.796 nan 8.190 nan 0.000 0.433 32 E N 2.978 123.097 120.200 -0.136 0.000 2.360 32 E HA 0.055 4.405 4.350 0.000 0.000 0.269 32 E C 0.709 177.289 176.600 -0.034 0.000 1.022 32 E CA -0.063 56.281 56.400 -0.094 0.000 0.887 32 E CB 1.562 31.229 29.700 -0.055 0.000 0.990 32 E HN 0.648 nan 8.360 nan 0.000 0.426 33 Q N 2.425 122.194 119.800 -0.052 0.000 2.119 33 Q HA -0.155 4.185 4.340 0.000 0.000 0.201 33 Q C 1.869 177.899 176.000 0.049 0.000 0.972 33 Q CA 1.966 57.762 55.803 -0.012 0.000 0.847 33 Q CB -0.146 28.554 28.738 -0.064 0.000 0.903 33 Q HN 0.620 nan 8.270 nan 0.000 0.433 34 S N -1.116 114.597 115.700 0.021 0.000 2.387 34 S HA -0.194 4.277 4.470 0.000 0.000 0.230 34 S C 1.769 176.413 174.600 0.073 0.000 1.035 34 S CA 1.680 59.898 58.200 0.030 0.000 1.014 34 S CB -0.963 62.244 63.200 0.012 0.000 0.836 34 S HN 0.561 nan 8.310 nan 0.000 0.466 35 T N -3.512 111.104 114.554 0.104 0.000 3.092 35 T HA 0.290 4.640 4.350 0.000 0.000 0.258 35 T C 1.093 175.947 174.700 0.257 0.000 1.031 35 T CA -0.294 61.892 62.100 0.145 0.000 0.925 35 T CB -0.416 68.514 68.868 0.104 0.000 1.036 35 T HN 0.345 nan 8.240 nan 0.000 0.544 36 Y N 3.181 123.576 120.300 0.159 0.000 2.200 36 Y HA 0.153 4.703 4.550 0.000 0.000 0.290 36 Y C -1.047 175.148 175.900 0.492 0.000 1.137 36 Y CA 0.600 58.879 58.100 0.299 0.000 1.163 36 Y CB -1.043 37.553 38.460 0.227 0.000 0.988 36 Y HN 0.200 nan 8.280 nan 0.000 0.518 37 P HA -0.173 nan 4.420 nan 0.000 0.215 37 P C 1.256 178.784 177.300 0.380 0.000 1.157 37 P CA 2.368 65.779 63.100 0.518 0.000 0.874 37 P CB 0.023 31.907 31.700 0.305 0.000 0.790 38 D N -1.725 118.822 120.400 0.245 0.000 2.117 38 D HA -0.153 4.487 4.640 0.000 0.000 0.197 38 D C 1.790 178.208 176.300 0.197 0.000 0.987 38 D CA 0.963 55.073 54.000 0.183 0.000 0.829 38 D CB -0.824 40.061 40.800 0.142 0.000 0.961 38 D HN 0.132 nan 8.370 nan 0.000 0.460 39 F N 0.943 120.938 119.950 0.075 0.000 2.075 39 F HA -0.269 4.258 4.527 0.000 0.000 0.297 39 F C 2.374 178.168 175.800 -0.011 0.000 1.113 39 F CA 1.177 59.195 58.000 0.030 0.000 1.218 39 F CB -0.661 38.362 39.000 0.038 0.000 0.984 39 F HN -0.103 nan 8.300 nan 0.000 0.472 40 Y N 0.081 120.228 120.300 -0.255 0.000 2.081 40 Y HA -0.300 4.250 4.550 0.000 0.000 0.280 40 Y C 2.037 177.730 175.900 -0.345 0.000 1.163 40 Y CA 2.057 59.910 58.100 -0.411 0.000 1.135 40 Y CB -1.166 36.971 38.460 -0.538 0.000 0.970 40 Y HN 0.103 nan 8.280 nan 0.000 0.498 41 F N 0.394 120.131 119.950 -0.355 0.000 2.502 41 F HA -0.031 4.496 4.527 0.000 0.000 0.298 41 F C 2.404 178.030 175.800 -0.289 0.000 1.111 41 F CA 1.442 59.212 58.000 -0.382 0.000 1.445 41 F CB -0.360 38.527 39.000 -0.189 0.000 1.081 41 F HN 0.057 nan 8.300 nan 0.000 0.558 42 K N 0.368 120.689 120.400 -0.133 0.000 2.044 42 K HA -0.084 4.236 4.320 0.000 0.000 0.204 42 K C 2.093 178.546 176.600 -0.246 0.000 1.045 42 K CA 0.880 57.082 56.287 -0.143 0.000 0.951 42 K CB -0.378 32.055 32.500 -0.113 0.000 0.738 42 K HN 0.140 nan 8.250 nan 0.000 0.443 43 I N 2.027 122.344 120.570 -0.422 0.000 2.530 43 I HA -0.182 3.988 4.170 0.000 0.000 0.257 43 I C 1.452 177.408 176.117 -0.268 0.000 1.179 43 I CA 1.609 62.672 61.300 -0.396 0.000 1.440 43 I CB -0.148 37.484 38.000 -0.613 0.000 1.087 43 I HN 0.365 nan 8.210 nan 0.000 0.440 44 T N -2.600 111.746 114.554 -0.346 0.000 3.186 44 T HA 0.175 4.525 4.350 0.000 0.000 0.257 44 T C 0.542 175.104 174.700 -0.231 0.000 1.029 44 T CA -0.254 61.655 62.100 -0.318 0.000 0.916 44 T CB -0.730 67.789 68.868 -0.583 0.000 1.041 44 T HN 0.390 nan 8.240 nan 0.000 0.562 45 N N 1.124 119.729 118.700 -0.159 0.000 2.714 45 N HA -0.144 4.596 4.740 0.000 0.000 0.252 45 N C -0.024 175.502 175.510 0.026 0.000 1.014 45 N CA 0.915 53.929 53.050 -0.060 0.000 0.735 45 N CB -1.605 36.853 38.487 -0.048 0.000 0.924 45 N HN 0.516 nan 8.380 nan 0.000 0.540 46 S N -0.760 114.930 115.700 -0.017 0.000 2.730 46 S HA 0.093 4.563 4.470 0.000 0.000 0.244 46 S C 1.184 175.862 174.600 0.131 0.000 1.022 46 S CA -0.556 57.657 58.200 0.022 0.000 1.014 46 S CB 0.670 63.726 63.200 -0.240 0.000 0.963 46 S HN 0.308 nan 8.310 nan 0.000 0.540 47 E N 1.599 121.900 120.200 0.169 0.000 2.396 47 E HA -0.190 4.160 4.350 0.000 0.000 0.200 47 E C 1.595 178.256 176.600 0.100 0.000 1.023 47 E CA 0.962 57.439 56.400 0.128 0.000 0.857 47 E CB -0.131 29.623 29.700 0.090 0.000 0.775 47 E HN 0.718 nan 8.360 nan 0.000 0.525 48 H N -0.295 118.796 119.070 0.034 0.000 2.551 48 H HA 0.145 4.702 4.556 0.000 0.000 0.266 48 H C 0.860 176.202 175.328 0.023 0.000 0.964 48 H CA 0.286 56.344 56.048 0.017 0.000 1.180 48 H CB 0.038 29.804 29.762 0.006 0.000 1.408 48 H HN -0.022 nan 8.280 nan 0.000 0.563 49 K N 2.070 122.195 120.400 -0.459 0.000 2.551 49 K HA 0.008 4.328 4.320 0.000 0.000 0.204 49 K C 1.300 177.824 176.600 -0.126 0.000 1.033 49 K CA 0.539 56.655 56.287 -0.285 0.000 1.187 49 K CB 0.049 32.393 32.500 -0.261 0.000 0.900 49 K HN 0.438 nan 8.250 nan 0.000 0.499 50 T N 0.197 114.685 114.554 -0.110 0.000 2.990 50 T HA -0.414 3.936 4.350 0.000 0.000 0.235 50 T C 1.735 176.363 174.700 -0.119 0.000 1.110 50 T CA 2.363 64.397 62.100 -0.111 0.000 1.131 50 T CB -0.780 68.053 68.868 -0.060 0.000 0.791 50 T HN 0.680 nan 8.240 nan 0.000 0.512 51 E N 1.442 121.595 120.200 -0.077 0.000 2.047 51 E HA -0.047 4.303 4.350 0.000 0.000 0.191 51 E C 2.363 178.932 176.600 -0.052 0.000 0.987 51 E CA 1.213 57.580 56.400 -0.056 0.000 0.799 51 E CB -0.575 29.106 29.700 -0.031 0.000 0.752 51 E HN 0.482 nan 8.360 nan 0.000 0.449 52 L N 1.708 122.915 121.223 -0.026 0.000 2.187 52 L HA -0.118 4.222 4.340 0.000 0.000 0.213 52 L C 2.305 179.177 176.870 0.003 0.000 1.100 52 L CA 1.794 56.666 54.840 0.054 0.000 0.765 52 L CB -0.400 41.742 42.059 0.138 0.000 0.904 52 L HN 0.083 nan 8.230 nan 0.000 0.437 53 K N -1.051 119.151 120.400 -0.331 0.000 2.288 53 K HA -0.111 4.210 4.320 0.000 0.000 0.201 53 K C 1.564 177.988 176.600 -0.294 0.000 1.048 53 K CA 0.855 56.633 56.287 -0.847 0.000 0.956 53 K CB 0.166 32.041 32.500 -1.042 0.000 0.746 53 K HN 0.327 nan 8.250 nan 0.000 0.461 54 E N 0.815 120.927 120.200 -0.146 0.000 2.158 54 E HA -0.138 4.213 4.350 0.000 0.000 0.191 54 E C 1.627 178.221 176.600 -0.011 0.000 0.982 54 E CA 0.749 57.107 56.400 -0.070 0.000 0.823 54 E CB 0.010 29.676 29.700 -0.057 0.000 0.766 54 E HN 0.314 nan 8.360 nan 0.000 0.468 55 K N 0.133 120.553 120.400 0.033 0.000 2.025 55 K HA -0.110 4.210 4.320 0.000 0.000 0.207 55 K C 2.014 178.695 176.600 0.134 0.000 1.049 55 K CA 0.777 57.109 56.287 0.075 0.000 0.933 55 K CB -0.185 32.375 32.500 0.101 0.000 0.714 55 K HN 0.014 nan 8.250 nan 0.000 0.438 56 F N 2.210 122.187 119.950 0.045 0.000 2.234 56 F HA -0.155 4.372 4.527 0.000 0.000 0.299 56 F C 2.429 178.259 175.800 0.050 0.000 1.087 56 F CA 1.531 59.597 58.000 0.109 0.000 1.340 56 F CB -0.308 38.888 39.000 0.327 0.000 1.031 56 F HN 0.152 nan 8.300 nan 0.000 0.500 57 Q N 0.675 120.479 119.800 0.007 0.000 2.084 57 Q HA -0.173 4.167 4.340 0.000 0.000 0.202 57 Q C 2.292 178.226 176.000 -0.110 0.000 0.978 57 Q CA 1.918 57.674 55.803 -0.080 0.000 0.844 57 Q CB -0.236 28.472 28.738 -0.050 0.000 0.898 57 Q HN 0.379 nan 8.270 nan 0.000 0.426 58 R N -0.909 119.547 120.500 -0.073 0.000 2.115 58 R HA 0.005 4.345 4.340 0.000 0.000 0.226 58 R C 2.381 178.624 176.300 -0.096 0.000 1.100 58 R CA 1.513 57.573 56.100 -0.067 0.000 0.980 58 R CB -0.213 30.065 30.300 -0.037 0.000 0.875 58 R HN 0.369 nan 8.270 nan 0.000 0.445 59 M N -0.354 119.171 119.600 -0.125 0.000 2.117 59 M HA -0.190 4.290 4.480 0.000 0.000 0.262 59 M C 2.333 178.501 176.300 -0.220 0.000 1.065 59 M CA 1.320 56.528 55.300 -0.152 0.000 1.114 59 M CB -0.254 32.262 32.600 -0.140 0.000 1.361 59 M HN 0.237 nan 8.290 nan 0.000 0.408 60 C N 0.439 119.541 119.300 -0.329 0.000 2.457 60 C HA -0.095 4.365 4.460 0.000 0.000 0.278 60 C C 2.198 177.093 174.990 -0.158 0.000 1.309 60 C CA 0.599 59.445 59.018 -0.286 0.000 1.735 60 C CB -0.923 26.608 27.740 -0.349 0.000 1.992 60 C HN 0.524 nan 8.230 nan 0.000 0.493 61 D N 0.815 121.138 120.400 -0.128 0.000 2.219 61 D HA -0.088 4.552 4.640 0.000 0.000 0.205 61 D C 1.959 178.217 176.300 -0.071 0.000 0.970 61 D CA 1.111 55.062 54.000 -0.082 0.000 0.851 61 D CB -0.288 40.473 40.800 -0.065 0.000 0.943 61 D HN 0.556 nan 8.370 nan 0.000 0.488 62 K N 0.268 120.621 120.400 -0.078 0.000 2.393 62 K HA 0.052 4.372 4.320 0.000 0.000 0.193 62 K C 1.930 178.492 176.600 -0.064 0.000 1.026 62 K CA 0.106 56.355 56.287 -0.062 0.000 1.064 62 K CB 0.430 32.897 32.500 -0.055 0.000 0.833 62 K HN 0.006 nan 8.250 nan 0.000 0.521 63 S N 0.838 116.489 115.700 -0.082 0.000 2.447 63 S HA -0.119 4.352 4.470 0.000 0.000 0.233 63 S C 1.211 175.777 174.600 -0.057 0.000 1.006 63 S CA 0.507 58.660 58.200 -0.077 0.000 0.957 63 S CB -0.198 62.939 63.200 -0.105 0.000 0.773 63 S HN 0.249 nan 8.310 nan 0.000 0.507 64 M N -0.514 119.054 119.600 -0.052 0.000 2.751 64 M HA -0.116 4.364 4.480 0.000 0.000 0.199 64 M C -0.602 175.675 176.300 -0.039 0.000 0.550 64 M CA 0.578 55.855 55.300 -0.039 0.000 0.640 64 M CB -2.532 30.051 32.600 -0.028 0.000 2.351 64 M HN 0.489 nan 8.290 nan 0.000 0.613 65 I N -0.166 120.372 120.570 -0.053 0.000 2.377 65 I HA 0.219 4.389 4.170 0.000 0.000 0.293 65 I C 1.430 177.505 176.117 -0.069 0.000 0.987 65 I CA -0.649 60.616 61.300 -0.058 0.000 1.185 65 I CB 1.715 39.673 38.000 -0.070 0.000 1.341 65 I HN -0.010 nan 8.210 nan 0.000 0.455 66 K N 5.275 125.631 120.400 -0.073 0.000 2.168 66 K HA 0.196 4.517 4.320 0.000 0.000 0.201 66 K C 0.363 176.896 176.600 -0.110 0.000 1.049 66 K CA 0.889 57.129 56.287 -0.079 0.000 0.974 66 K CB 0.350 32.807 32.500 -0.071 0.000 0.792 66 K HN 0.655 nan 8.250 nan 0.000 0.463 67 R N -0.531 119.882 120.500 -0.145 0.000 2.716 67 R HA 0.540 4.880 4.340 0.000 0.000 0.271 67 R C -0.836 175.315 176.300 -0.248 0.000 1.028 67 R CA -0.879 55.088 56.100 -0.221 0.000 0.883 67 R CB 1.702 31.837 30.300 -0.275 0.000 1.250 67 R HN -0.194 nan 8.270 nan 0.000 0.465 68 R N 0.236 120.529 120.500 -0.345 0.000 2.855 68 R HA 0.456 4.797 4.340 0.000 0.000 0.266 68 R C -1.494 174.523 176.300 -0.472 0.000 1.034 68 R CA -0.946 55.005 56.100 -0.247 0.000 0.944 68 R CB 2.029 32.241 30.300 -0.146 0.000 1.219 68 R HN 0.511 nan 8.270 nan 0.000 0.474 69 Y N 0.911 121.231 120.300 0.034 0.000 2.376 69 Y HA 0.522 5.072 4.550 0.000 0.000 0.340 69 Y C -0.045 175.895 175.900 0.068 0.000 0.965 69 Y CA -0.651 57.483 58.100 0.056 0.000 1.078 69 Y CB 1.879 40.402 38.460 0.105 0.000 1.193 69 Y HN 0.190 nan 8.280 nan 0.000 0.452 70 M N 2.844 122.540 119.600 0.160 0.000 2.327 70 M HA 0.214 4.694 4.480 0.000 0.000 0.298 70 M C -0.023 176.376 176.300 0.165 0.000 1.065 70 M CA -0.888 54.508 55.300 0.161 0.000 0.916 70 M CB 1.988 34.658 32.600 0.117 0.000 1.630 70 M HN 0.826 nan 8.290 nan 0.000 0.442 71 Y N 3.374 123.726 120.300 0.087 0.000 2.224 71 Y HA 0.083 4.633 4.550 0.000 0.000 0.289 71 Y C 0.258 176.183 175.900 0.042 0.000 1.146 71 Y CA 1.341 59.480 58.100 0.065 0.000 1.182 71 Y CB 0.213 38.708 38.460 0.058 0.000 0.983 71 Y HN 0.545 nan 8.280 nan 0.000 0.524 72 L N 3.122 124.309 121.223 -0.060 0.000 2.500 72 L HA 0.123 4.463 4.340 0.000 0.000 0.272 72 L C 0.607 177.397 176.870 -0.134 0.000 1.149 72 L CA 0.167 54.896 54.840 -0.185 0.000 0.897 72 L CB -0.013 41.974 42.059 -0.120 0.000 1.178 72 L HN 0.274 nan 8.230 nan 0.000 0.473 73 T N -1.895 112.553 114.554 -0.176 0.000 2.937 73 T HA 0.197 4.547 4.350 0.000 0.000 0.283 73 T C 0.845 175.557 174.700 0.019 0.000 1.012 73 T CA -0.805 61.255 62.100 -0.066 0.000 0.997 73 T CB 1.817 70.629 68.868 -0.095 0.000 1.136 73 T HN 0.628 nan 8.240 nan 0.000 0.551 74 E N -0.052 120.222 120.200 0.124 0.000 2.118 74 E HA -0.235 4.115 4.350 0.000 0.000 0.195 74 E C 1.826 178.457 176.600 0.051 0.000 0.992 74 E CA 1.476 57.991 56.400 0.191 0.000 0.804 74 E CB -0.059 29.800 29.700 0.265 0.000 0.741 74 E HN 0.745 nan 8.360 nan 0.000 0.458 75 E N 0.790 120.998 120.200 0.013 0.000 2.047 75 E HA -0.150 4.200 4.350 0.000 0.000 0.191 75 E C 1.915 178.491 176.600 -0.040 0.000 0.987 75 E CA 1.449 57.840 56.400 -0.014 0.000 0.799 75 E CB -0.288 29.400 29.700 -0.020 0.000 0.752 75 E HN 0.425 nan 8.360 nan 0.000 0.449 76 I N 0.256 120.779 120.570 -0.078 0.000 2.286 76 I HA -0.247 3.924 4.170 0.000 0.000 0.248 76 I C 2.235 178.302 176.117 -0.083 0.000 1.115 76 I CA 0.794 62.034 61.300 -0.099 0.000 1.392 76 I CB -0.239 37.644 38.000 -0.196 0.000 1.065 76 I HN 0.156 nan 8.210 nan 0.000 0.418 77 L N 0.270 121.436 121.223 -0.095 0.000 2.093 77 L HA -0.154 4.186 4.340 0.000 0.000 0.208 77 L C 2.547 179.380 176.870 -0.061 0.000 1.085 77 L CA 0.953 55.728 54.840 -0.108 0.000 0.755 77 L CB -0.499 41.470 42.059 -0.150 0.000 0.904 77 L HN 0.143 nan 8.230 nan 0.000 0.435 78 K N 0.386 120.760 120.400 -0.044 0.000 2.148 78 K HA -0.145 4.175 4.320 0.000 0.000 0.204 78 K C 1.822 178.407 176.600 -0.024 0.000 1.050 78 K CA 1.131 57.399 56.287 -0.032 0.000 0.942 78 K CB -0.162 32.325 32.500 -0.020 0.000 0.724 78 K HN 0.416 nan 8.250 nan 0.000 0.446 79 E N 0.559 120.745 120.200 -0.024 0.000 2.347 79 E HA -0.041 4.309 4.350 0.000 0.000 0.196 79 E C -0.024 176.570 176.600 -0.010 0.000 1.008 79 E CA 0.405 56.796 56.400 -0.015 0.000 0.852 79 E CB 0.153 29.844 29.700 -0.014 0.000 0.783 79 E HN 0.225 nan 8.360 nan 0.000 0.505 80 N N 0.662 119.353 118.700 -0.015 0.000 2.790 80 N HA 0.086 4.826 4.740 0.000 0.000 0.256 80 N C -2.211 173.298 175.510 -0.002 0.000 1.409 80 N CA -0.829 52.218 53.050 -0.004 0.000 0.799 80 N CB 1.439 39.928 38.487 0.003 0.000 1.170 80 N HN 0.036 nan 8.380 nan 0.000 0.507 81 P HA -0.164 nan 4.420 nan 0.000 0.218 81 P C 0.783 178.088 177.300 0.007 0.000 1.148 81 P CA 1.203 64.301 63.100 -0.004 0.000 0.822 81 P CB 0.502 32.196 31.700 -0.010 0.000 0.784 82 N N -0.422 118.283 118.700 0.009 0.000 2.289 82 N HA -0.067 4.673 4.740 0.000 0.000 0.184 82 N C 1.611 177.135 175.510 0.024 0.000 1.016 82 N CA 0.407 53.462 53.050 0.010 0.000 0.872 82 N CB -0.116 38.374 38.487 0.005 0.000 0.973 82 N HN 0.015 nan 8.380 nan 0.000 0.433 83 V N 0.105 120.048 119.914 0.048 0.000 2.871 83 V HA -0.135 3.985 4.120 0.000 0.000 0.256 83 V C 1.901 178.108 176.094 0.189 0.000 1.082 83 V CA 0.952 63.315 62.300 0.106 0.000 1.105 83 V CB -0.073 31.812 31.823 0.103 0.000 0.713 83 V HN 0.462 nan 8.190 nan 0.000 0.473 84 C N -0.390 118.987 119.300 0.130 0.000 2.539 84 C HA 0.107 4.568 4.460 0.000 0.000 0.268 84 C C 1.272 176.281 174.990 0.031 0.000 1.395 84 C CA -0.468 58.636 59.018 0.145 0.000 1.757 84 C CB -0.988 26.784 27.740 0.054 0.000 1.851 84 C HN 0.548 nan 8.230 nan 0.000 0.545 85 E N -0.635 119.573 120.200 0.014 0.000 2.312 85 E HA 0.081 4.431 4.350 0.000 0.000 0.259 85 E C 0.242 176.832 176.600 -0.016 0.000 1.122 85 E CA -0.396 56.001 56.400 -0.004 0.000 0.922 85 E CB 0.616 30.317 29.700 0.002 0.000 1.109 85 E HN 0.368 nan 8.360 nan 0.000 0.442 86 Y N 0.874 121.120 120.300 -0.091 0.000 2.153 86 Y HA -0.011 4.539 4.550 0.000 0.000 0.289 86 Y C 1.004 176.837 175.900 -0.112 0.000 1.127 86 Y CA 1.250 59.278 58.100 -0.121 0.000 1.131 86 Y CB 0.431 38.805 38.460 -0.143 0.000 0.995 86 Y HN 0.366 nan 8.280 nan 0.000 0.505 87 M N 0.930 120.432 119.600 -0.163 0.000 1.949 87 M HA 0.568 5.048 4.480 0.000 0.000 0.234 87 M C -1.440 174.819 176.300 -0.068 0.000 0.855 87 M CA -0.198 54.981 55.300 -0.201 0.000 0.800 87 M CB 1.065 33.613 32.600 -0.087 0.000 1.697 87 M HN 0.183 nan 8.290 nan 0.000 0.357 88 A N 3.292 126.069 122.820 -0.071 0.000 2.401 88 A HA 0.988 5.308 4.320 0.000 0.000 0.310 88 A C -2.864 174.701 177.584 -0.032 0.000 1.075 88 A CA -1.695 50.323 52.037 -0.031 0.000 0.746 88 A CB 0.894 19.885 19.000 -0.016 0.000 1.277 88 A HN 0.467 nan 8.150 nan 0.000 0.425 89 P HA 0.040 nan 4.420 nan 0.000 0.257 89 P C 0.403 177.697 177.300 -0.011 0.000 1.189 89 P CA 1.020 64.111 63.100 -0.015 0.000 0.780 89 P CB 0.466 32.160 31.700 -0.009 0.000 0.772 90 S N 1.328 117.021 115.700 -0.012 0.000 2.874 90 S HA 0.039 4.510 4.470 0.000 0.000 0.257 90 S C 1.013 175.614 174.600 0.002 0.000 0.975 90 S CA -0.372 57.827 58.200 -0.001 0.000 1.326 90 S CB -0.749 62.455 63.200 0.005 0.000 1.215 90 S HN 0.213 nan 8.310 nan 0.000 0.679 91 L N 3.096 124.315 121.223 -0.007 0.000 2.012 91 L HA -0.013 4.328 4.340 0.000 0.000 0.210 91 L C 1.634 178.502 176.870 -0.004 0.000 1.073 91 L CA 2.333 57.169 54.840 -0.007 0.000 0.748 91 L CB -0.809 41.241 42.059 -0.014 0.000 0.891 91 L HN 0.160 nan 8.230 nan 0.000 0.431 92 D N -0.042 120.355 120.400 -0.005 0.000 2.123 92 D HA -0.198 4.442 4.640 0.000 0.000 0.196 92 D C 2.197 178.499 176.300 0.003 0.000 0.992 92 D CA 1.637 55.635 54.000 -0.004 0.000 0.833 92 D CB -0.333 40.465 40.800 -0.004 0.000 0.954 92 D HN 0.533 nan 8.370 nan 0.000 0.455 93 A N 0.805 123.631 122.820 0.010 0.000 1.898 93 A HA -0.168 4.152 4.320 0.000 0.000 0.216 93 A C 2.172 179.773 177.584 0.029 0.000 1.181 93 A CA 1.250 53.299 52.037 0.021 0.000 0.620 93 A CB -0.373 18.641 19.000 0.024 0.000 0.819 93 A HN 0.136 nan 8.150 nan 0.000 0.442 94 R N -0.707 119.809 120.500 0.027 0.000 2.092 94 R HA -0.097 4.243 4.340 0.000 0.000 0.231 94 R C 2.331 178.635 176.300 0.007 0.000 1.119 94 R CA 1.279 57.399 56.100 0.033 0.000 0.970 94 R CB -0.289 30.032 30.300 0.034 0.000 0.864 94 R HN 0.514 nan 8.270 nan 0.000 0.440 95 Q N 0.452 120.248 119.800 -0.006 0.000 2.124 95 Q HA -0.105 4.235 4.340 0.000 0.000 0.202 95 Q C 2.202 178.186 176.000 -0.026 0.000 0.977 95 Q CA 1.717 57.506 55.803 -0.025 0.000 0.850 95 Q CB -0.292 28.429 28.738 -0.028 0.000 0.901 95 Q HN 0.365 nan 8.270 nan 0.000 0.429 96 A N 0.810 123.625 122.820 -0.009 0.000 1.902 96 A HA -0.168 4.152 4.320 0.000 0.000 0.217 96 A C 2.201 179.779 177.584 -0.011 0.000 1.181 96 A CA 1.550 53.585 52.037 -0.004 0.000 0.623 96 A CB -0.495 18.513 19.000 0.013 0.000 0.818 96 A HN 0.309 nan 8.150 nan 0.000 0.443 97 M N -0.639 118.959 119.600 -0.003 0.000 2.086 97 M HA -0.091 4.389 4.480 0.000 0.000 0.261 97 M C 2.116 178.310 176.300 -0.177 0.000 1.067 97 M CA 1.394 56.667 55.300 -0.046 0.000 1.116 97 M CB -0.554 32.072 32.600 0.042 0.000 1.348 97 M HN 0.347 nan 8.290 nan 0.000 0.407 98 L N -0.056 121.094 121.223 -0.122 0.000 2.046 98 L HA -0.143 4.197 4.340 0.000 0.000 0.208 98 L C 2.861 179.666 176.870 -0.107 0.000 1.077 98 L CA 1.056 55.819 54.840 -0.127 0.000 0.747 98 L CB -0.971 41.040 42.059 -0.081 0.000 0.896 98 L HN 0.308 nan 8.230 nan 0.000 0.432 99 A N -0.289 122.484 122.820 -0.078 0.000 2.024 99 A HA -0.214 4.106 4.320 0.000 0.000 0.220 99 A C 2.244 179.797 177.584 -0.052 0.000 1.164 99 A CA 1.909 53.912 52.037 -0.057 0.000 0.643 99 A CB -0.357 18.621 19.000 -0.037 0.000 0.806 99 A HN 0.413 nan 8.150 nan 0.000 0.451 100 M N -2.446 117.112 119.600 -0.070 0.000 2.556 100 M HA 0.055 4.536 4.480 0.000 0.000 0.259 100 M C 2.157 178.402 176.300 -0.092 0.000 1.175 100 M CA 1.326 56.590 55.300 -0.060 0.000 1.202 100 M CB -0.177 32.402 32.600 -0.035 0.000 1.298 100 M HN 0.344 nan 8.290 nan 0.000 0.492 101 E N 0.825 120.909 120.200 -0.193 0.000 2.072 101 E HA -0.101 4.249 4.350 0.000 0.000 0.191 101 E C 1.815 178.337 176.600 -0.131 0.000 0.985 101 E CA 1.247 57.509 56.400 -0.231 0.000 0.801 101 E CB -0.208 29.144 29.700 -0.579 0.000 0.750 101 E HN 0.191 nan 8.360 nan 0.000 0.452 102 V N 1.253 121.098 119.914 -0.114 0.000 2.287 102 V HA -0.195 3.925 4.120 0.000 0.000 0.248 102 V C -0.761 175.317 176.094 -0.026 0.000 1.053 102 V CA 2.352 64.620 62.300 -0.054 0.000 1.027 102 V CB -1.371 30.430 31.823 -0.037 0.000 0.646 102 V HN 0.293 nan 8.190 nan 0.000 0.447 103 P HA -0.096 nan 4.420 nan 0.000 0.219 103 P C 1.749 179.039 177.300 -0.017 0.000 1.150 103 P CA 1.129 64.219 63.100 -0.016 0.000 0.814 103 P CB -0.075 31.615 31.700 -0.016 0.000 0.787 104 R N -0.155 120.332 120.500 -0.020 0.000 2.062 104 R HA -0.114 4.226 4.340 0.000 0.000 0.231 104 R C 2.054 178.354 176.300 -0.000 0.000 1.136 104 R CA 1.299 57.395 56.100 -0.008 0.000 0.948 104 R CB -1.098 29.201 30.300 -0.001 0.000 0.845 104 R HN 0.082 nan 8.270 nan 0.000 0.430 105 L N 0.623 121.847 121.223 0.001 0.000 2.083 105 L HA -0.012 4.329 4.340 0.000 0.000 0.209 105 L C 2.171 179.046 176.870 0.009 0.000 1.083 105 L CA 2.246 57.096 54.840 0.015 0.000 0.752 105 L CB -0.891 41.182 42.059 0.024 0.000 0.899 105 L HN 0.331 nan 8.230 nan 0.000 0.433 106 G N -0.965 107.835 108.800 0.001 0.000 2.408 106 G HA2 -0.318 3.642 3.960 0.000 0.000 0.217 106 G HA3 -0.318 3.642 3.960 0.000 0.000 0.217 106 G C 1.699 176.591 174.900 -0.014 0.000 1.150 106 G CA 0.825 45.923 45.100 -0.004 0.000 0.776 106 G HN 0.453 nan 8.290 nan 0.000 0.542 107 K N 0.591 120.983 120.400 -0.013 0.000 2.057 107 K HA -0.089 4.231 4.320 0.000 0.000 0.206 107 K C 2.277 178.869 176.600 -0.014 0.000 1.050 107 K CA 1.579 57.856 56.287 -0.016 0.000 0.935 107 K CB -0.243 32.248 32.500 -0.016 0.000 0.715 107 K HN 0.409 nan 8.250 nan 0.000 0.439 108 E N -0.097 120.098 120.200 -0.008 0.000 2.085 108 E HA -0.229 4.122 4.350 0.000 0.000 0.194 108 E C 1.725 178.313 176.600 -0.021 0.000 0.994 108 E CA 1.255 57.650 56.400 -0.008 0.000 0.801 108 E CB -0.145 29.555 29.700 0.001 0.000 0.743 108 E HN 0.465 nan 8.360 nan 0.000 0.453 109 A N 1.001 123.804 122.820 -0.029 0.000 1.897 109 A HA 0.010 4.330 4.320 0.000 0.000 0.215 109 A C 2.389 179.941 177.584 -0.053 0.000 1.181 109 A CA 1.524 53.528 52.037 -0.055 0.000 0.620 109 A CB -0.696 18.267 19.000 -0.062 0.000 0.821 109 A HN 0.407 nan 8.150 nan 0.000 0.443 110 A N -0.421 122.374 122.820 -0.041 0.000 1.902 110 A HA -0.027 4.293 4.320 0.000 0.000 0.217 110 A C 2.207 179.781 177.584 -0.017 0.000 1.181 110 A CA 1.802 53.817 52.037 -0.037 0.000 0.623 110 A CB -0.969 18.010 19.000 -0.034 0.000 0.818 110 A HN 0.384 nan 8.150 nan 0.000 0.443 111 V N 0.174 120.081 119.914 -0.011 0.000 2.332 111 V HA -0.304 3.816 4.120 0.000 0.000 0.248 111 V C 2.459 178.556 176.094 0.006 0.000 1.055 111 V CA 2.457 64.759 62.300 0.002 0.000 1.038 111 V CB -0.660 31.162 31.823 -0.002 0.000 0.651 111 V HN 0.575 nan 8.190 nan 0.000 0.450 112 K N 0.095 120.488 120.400 -0.011 0.000 2.097 112 K HA -0.060 4.260 4.320 0.000 0.000 0.205 112 K C 2.305 178.902 176.600 -0.005 0.000 1.050 112 K CA 1.349 57.627 56.287 -0.014 0.000 0.938 112 K CB -0.373 32.103 32.500 -0.039 0.000 0.718 112 K HN 0.475 nan 8.250 nan 0.000 0.442 113 A N 1.535 124.345 122.820 -0.015 0.000 1.898 113 A HA -0.119 4.201 4.320 0.000 0.000 0.216 113 A C 2.112 179.736 177.584 0.067 0.000 1.181 113 A CA 1.186 53.218 52.037 -0.009 0.000 0.620 113 A CB -0.549 18.417 19.000 -0.056 0.000 0.819 113 A HN 0.157 nan 8.150 nan 0.000 0.442 114 I N -0.535 120.089 120.570 0.091 0.000 2.286 114 I HA -0.252 3.919 4.170 0.000 0.000 0.248 114 I C 2.530 178.764 176.117 0.194 0.000 1.115 114 I CA 1.747 63.179 61.300 0.220 0.000 1.392 114 I CB -0.229 37.876 38.000 0.175 0.000 1.065 114 I HN 0.391 nan 8.210 nan 0.000 0.418 115 K N 1.164 121.621 120.400 0.096 0.000 2.057 115 K HA -0.255 4.065 4.320 0.000 0.000 0.207 115 K C 2.115 178.753 176.600 0.063 0.000 1.049 115 K CA 1.670 57.990 56.287 0.056 0.000 0.931 115 K CB -0.062 32.453 32.500 0.025 0.000 0.714 115 K HN 0.283 nan 8.250 nan 0.000 0.440 116 E N -0.393 119.854 120.200 0.078 0.000 2.077 116 E HA -0.220 4.130 4.350 0.000 0.000 0.193 116 E C 1.767 178.452 176.600 0.141 0.000 0.989 116 E CA 1.171 57.616 56.400 0.075 0.000 0.800 116 E CB -0.249 29.482 29.700 0.052 0.000 0.746 116 E HN 0.453 nan 8.360 nan 0.000 0.452 117 W N 0.884 122.165 121.300 -0.032 0.000 2.318 117 W HA -0.147 4.513 4.660 0.000 0.000 0.313 117 W C 1.499 178.002 176.519 -0.026 0.000 1.221 117 W CA 2.821 60.148 57.345 -0.029 0.000 1.266 117 W CB -0.667 28.777 29.460 -0.027 0.000 1.150 117 W HN 0.323 nan 8.180 nan 0.000 0.496 118 G N -0.099 108.675 108.800 -0.045 0.000 2.143 118 G HA2 -0.228 3.732 3.960 0.000 0.000 0.249 118 G HA3 -0.228 3.732 3.960 0.000 0.000 0.249 118 G C 0.164 174.799 174.900 -0.441 0.000 0.981 118 G CA 0.403 45.378 45.100 -0.208 0.000 0.665 118 G HN 0.397 nan 8.290 nan 0.000 0.528 119 Q N -0.292 118.994 119.800 -0.857 0.000 2.297 119 Q HA 0.583 4.924 4.340 0.000 0.000 0.269 119 Q C -2.545 173.084 176.000 -0.620 0.000 1.051 119 Q CA -2.085 53.123 55.803 -0.992 0.000 0.869 119 Q CB 0.860 28.468 28.738 -1.884 0.000 1.346 119 Q HN 0.169 nan 8.270 nan 0.000 0.457 120 P HA 0.014 nan 4.420 nan 0.000 0.268 120 P C 0.366 177.643 177.300 -0.039 0.000 1.204 120 P CA 0.054 63.060 63.100 -0.157 0.000 0.768 120 P CB 0.495 32.129 31.700 -0.110 0.000 0.842 121 K N 0.779 121.205 120.400 0.043 0.000 2.362 121 K HA -0.097 4.223 4.320 0.000 0.000 0.200 121 K C 1.221 177.872 176.600 0.084 0.000 1.046 121 K CA 1.518 57.882 56.287 0.128 0.000 0.952 121 K CB -0.475 32.068 32.500 0.073 0.000 0.753 121 K HN 0.375 nan 8.250 nan 0.000 0.466 122 S N 0.490 116.209 115.700 0.033 0.000 2.555 122 S HA 0.068 4.538 4.470 0.000 0.000 0.230 122 S C 1.341 175.967 174.600 0.043 0.000 0.978 122 S CA 0.129 58.334 58.200 0.007 0.000 0.934 122 S CB 0.074 63.275 63.200 0.001 0.000 0.766 122 S HN 0.188 nan 8.310 nan 0.000 0.533 123 K N 0.940 121.405 120.400 0.107 0.000 2.393 123 K HA 0.367 4.687 4.320 0.000 0.000 0.193 123 K C 0.274 177.024 176.600 0.251 0.000 1.026 123 K CA -0.095 56.295 56.287 0.171 0.000 1.064 123 K CB -0.046 32.551 32.500 0.162 0.000 0.833 123 K HN 0.500 nan 8.250 nan 0.000 0.521 124 I N 2.545 123.241 120.570 0.210 0.000 2.436 124 I HA -0.063 4.107 4.170 0.000 0.000 0.289 124 I C 1.566 177.701 176.117 0.030 0.000 1.083 124 I CA 0.164 61.528 61.300 0.106 0.000 1.372 124 I CB 1.056 39.082 38.000 0.043 0.000 1.408 124 I HN 0.101 nan 8.210 nan 0.000 0.516 125 T N 1.256 115.845 114.554 0.058 0.000 3.037 125 T HA 0.138 4.488 4.350 0.000 0.000 0.252 125 T C 0.459 175.045 174.700 -0.189 0.000 1.073 125 T CA 0.325 62.418 62.100 -0.011 0.000 1.091 125 T CB 0.032 68.963 68.868 0.104 0.000 0.935 125 T HN 0.546 nan 8.240 nan 0.000 0.488 126 H N -0.238 118.808 119.070 -0.040 0.000 2.821 126 H HA 0.779 5.336 4.556 0.000 0.000 0.373 126 H C -1.588 173.698 175.328 -0.071 0.000 1.165 126 H CA -1.036 54.983 56.048 -0.047 0.000 1.154 126 H CB 2.010 31.744 29.762 -0.048 0.000 1.765 126 H HN 0.171 nan 8.280 nan 0.000 0.549 127 L N 2.391 123.645 121.223 0.053 0.000 2.438 127 L HA 0.565 4.905 4.340 0.000 0.000 0.270 127 L C -1.758 175.097 176.870 -0.025 0.000 0.972 127 L CA -0.248 54.586 54.840 -0.010 0.000 0.831 127 L CB 1.113 43.154 42.059 -0.030 0.000 1.273 127 L HN 0.642 nan 8.230 nan 0.000 0.405 128 I N 5.824 126.359 120.570 -0.058 0.000 2.389 128 I HA 0.525 4.695 4.170 0.000 0.000 0.288 128 I C -0.905 175.146 176.117 -0.110 0.000 0.999 128 I CA -0.857 60.385 61.300 -0.097 0.000 1.129 128 I CB 1.930 39.860 38.000 -0.117 0.000 1.288 128 I HN 0.269 nan 8.210 nan 0.000 0.444 129 V N 5.643 125.478 119.914 -0.131 0.000 2.448 129 V HA 0.374 4.495 4.120 0.000 0.000 0.295 129 V C -0.560 175.410 176.094 -0.207 0.000 1.025 129 V CA -0.566 61.675 62.300 -0.100 0.000 0.859 129 V CB 1.961 33.790 31.823 0.009 0.000 0.988 129 V HN 0.881 nan 8.190 nan 0.000 0.431 130 C N 4.519 123.732 119.300 -0.144 0.000 2.441 130 C HA 0.891 5.352 4.460 0.000 0.000 0.318 130 C C -0.087 174.893 174.990 -0.018 0.000 1.222 130 C CA -0.019 58.891 59.018 -0.180 0.000 1.474 130 C CB 0.855 28.468 27.740 -0.211 0.000 2.125 130 C HN 0.972 nan 8.230 nan 0.000 0.479 131 S N 2.800 118.555 115.700 0.093 0.000 2.537 131 S HA 0.426 4.896 4.470 0.000 0.000 0.270 131 S C 0.783 175.471 174.600 0.148 0.000 1.142 131 S CA -0.097 58.181 58.200 0.129 0.000 0.870 131 S CB 1.830 65.134 63.200 0.174 0.000 1.112 131 S HN 0.838 nan 8.310 nan 0.000 0.466 132 T N 2.216 116.810 114.554 0.067 0.000 2.737 132 T HA 0.007 4.357 4.350 0.000 0.000 0.269 132 T C 0.938 175.695 174.700 0.095 0.000 1.040 132 T CA 2.008 64.146 62.100 0.063 0.000 1.142 132 T CB -0.422 68.472 68.868 0.044 0.000 0.861 132 T HN 0.932 nan 8.240 nan 0.000 0.456 133 T N -1.896 112.702 114.554 0.073 0.000 2.841 133 T HA 0.600 4.950 4.350 0.000 0.000 0.296 133 T C -1.024 173.617 174.700 -0.099 0.000 1.166 133 T CA -0.821 61.285 62.100 0.011 0.000 1.007 133 T CB 2.504 71.357 68.868 -0.025 0.000 1.253 133 T HN -0.110 nan 8.240 nan 0.000 0.511 134 T N 1.662 116.053 114.554 -0.271 0.000 2.971 134 T HA 0.585 4.935 4.350 0.000 0.000 0.304 134 T C -1.816 172.714 174.700 -0.284 0.000 1.038 134 T CA -1.384 60.452 62.100 -0.440 0.000 1.007 134 T CB 1.720 69.895 68.868 -1.155 0.000 1.055 134 T HN 0.599 nan 8.240 nan 0.000 0.451 135 P HA 0.175 nan 4.420 nan 0.000 0.220 135 P C -0.231 177.000 177.300 -0.116 0.000 1.152 135 P CA 0.797 63.821 63.100 -0.127 0.000 0.812 135 P CB 0.539 32.185 31.700 -0.090 0.000 0.792 136 D N -0.680 119.641 120.400 -0.132 0.000 2.758 136 D HA 0.498 5.138 4.640 0.000 0.000 0.279 136 D C -0.584 175.650 176.300 -0.110 0.000 1.111 136 D CA -0.474 53.467 54.000 -0.100 0.000 1.109 136 D CB 1.113 41.872 40.800 -0.069 0.000 1.428 136 D HN -0.145 nan 8.370 nan 0.000 0.586 137 L N 1.060 122.232 121.223 -0.086 0.000 2.406 137 L HA 0.375 4.716 4.340 0.000 0.000 0.272 137 L C -2.309 174.492 176.870 -0.114 0.000 0.980 137 L CA -1.175 53.614 54.840 -0.084 0.000 0.831 137 L CB 1.372 43.392 42.059 -0.065 0.000 1.253 137 L HN 0.112 nan 8.230 nan 0.000 0.406 138 P HA 0.314 nan 4.420 nan 0.000 0.270 138 P C 0.231 177.518 177.300 -0.023 0.000 1.223 138 P CA -0.378 62.647 63.100 -0.125 0.000 0.785 138 P CB 0.537 32.029 31.700 -0.346 0.000 0.923 139 G N -0.126 108.697 108.800 0.038 0.000 2.588 139 G HA2 0.338 4.299 3.960 0.000 0.000 0.278 139 G HA3 0.338 4.299 3.960 0.000 0.000 0.278 139 G C 0.994 175.953 174.900 0.098 0.000 1.307 139 G CA -0.090 45.000 45.100 -0.017 0.000 1.016 139 G HN 0.534 nan 8.290 nan 0.000 0.503 140 A N -0.332 122.532 122.820 0.074 0.000 2.076 140 A HA -0.086 4.234 4.320 0.000 0.000 0.220 140 A C 2.013 179.708 177.584 0.186 0.000 1.160 140 A CA 2.148 54.269 52.037 0.140 0.000 0.653 140 A CB -0.501 18.595 19.000 0.160 0.000 0.801 140 A HN 0.738 nan 8.150 nan 0.000 0.455 141 D N -1.275 119.285 120.400 0.267 0.000 2.144 141 D HA -0.256 4.384 4.640 0.000 0.000 0.199 141 D C 1.793 178.163 176.300 0.118 0.000 0.984 141 D CA 1.634 55.727 54.000 0.155 0.000 0.834 141 D CB -0.727 40.158 40.800 0.140 0.000 0.955 141 D HN 0.597 nan 8.370 nan 0.000 0.465 142 Y N 1.526 121.858 120.300 0.053 0.000 2.163 142 Y HA -0.182 4.368 4.550 0.000 0.000 0.288 142 Y C 2.528 178.435 175.900 0.011 0.000 1.136 142 Y CA 1.715 59.829 58.100 0.024 0.000 1.147 142 Y CB -0.217 38.256 38.460 0.021 0.000 0.987 142 Y HN -0.193 nan 8.280 nan 0.000 0.509 143 Q N 0.468 120.270 119.800 0.003 0.000 2.096 143 Q HA -0.181 4.159 4.340 0.000 0.000 0.204 143 Q C 2.471 178.394 176.000 -0.127 0.000 0.982 143 Q CA 1.800 57.553 55.803 -0.083 0.000 0.850 143 Q CB -0.657 28.101 28.738 0.032 0.000 0.901 143 Q HN 0.576 nan 8.270 nan 0.000 0.422 144 L N 0.090 121.271 121.223 -0.070 0.000 2.141 144 L HA -0.143 4.198 4.340 0.000 0.000 0.209 144 L C 2.286 179.094 176.870 -0.104 0.000 1.094 144 L CA 1.117 55.917 54.840 -0.065 0.000 0.763 144 L CB -0.369 41.673 42.059 -0.028 0.000 0.908 144 L HN 0.203 nan 8.230 nan 0.000 0.437 145 T N -0.794 113.673 114.554 -0.144 0.000 2.788 145 T HA -0.223 4.127 4.350 0.000 0.000 0.268 145 T C 1.948 176.529 174.700 -0.199 0.000 1.044 145 T CA 1.211 63.214 62.100 -0.162 0.000 1.139 145 T CB -0.036 68.727 68.868 -0.175 0.000 0.867 145 T HN 0.221 nan 8.240 nan 0.000 0.454 146 K N 0.794 121.019 120.400 -0.292 0.000 2.062 146 K HA 0.066 4.386 4.320 0.000 0.000 0.205 146 K C 2.232 178.747 176.600 -0.142 0.000 1.051 146 K CA 0.854 56.990 56.287 -0.252 0.000 0.941 146 K CB -0.234 32.057 32.500 -0.349 0.000 0.719 146 K HN 0.318 nan 8.250 nan 0.000 0.440 147 L N 0.910 122.061 121.223 -0.119 0.000 2.141 147 L HA -0.131 4.209 4.340 0.000 0.000 0.209 147 L C 2.201 179.037 176.870 -0.056 0.000 1.094 147 L CA 0.793 55.591 54.840 -0.071 0.000 0.763 147 L CB -0.174 41.852 42.059 -0.055 0.000 0.908 147 L HN 0.193 nan 8.230 nan 0.000 0.437 148 L N -0.719 120.467 121.223 -0.063 0.000 2.477 148 L HA 0.158 4.499 4.340 0.000 0.000 0.220 148 L C 1.320 178.162 176.870 -0.047 0.000 1.106 148 L CA 0.480 55.292 54.840 -0.046 0.000 0.851 148 L CB -0.208 41.825 42.059 -0.042 0.000 0.994 148 L HN 0.435 nan 8.230 nan 0.000 0.462 149 G N 1.023 109.784 108.800 -0.065 0.000 2.198 149 G HA2 -0.252 3.708 3.960 0.000 0.000 0.257 149 G HA3 -0.252 3.708 3.960 0.000 0.000 0.257 149 G C 0.175 175.034 174.900 -0.069 0.000 1.042 149 G CA -0.142 44.921 45.100 -0.062 0.000 0.791 149 G HN 0.189 nan 8.290 nan 0.000 0.502 150 L N -0.976 120.194 121.223 -0.087 0.000 2.476 150 L HA 0.399 4.740 4.340 0.000 0.000 0.255 150 L C 1.642 178.419 176.870 -0.155 0.000 1.218 150 L CA -0.802 53.975 54.840 -0.105 0.000 0.819 150 L CB 0.288 42.284 42.059 -0.105 0.000 1.119 150 L HN 0.188 nan 8.230 nan 0.000 0.485 151 R N 1.774 122.130 120.500 -0.240 0.000 2.585 151 R HA -0.004 4.336 4.340 0.000 0.000 0.275 151 R C -1.377 174.702 176.300 -0.368 0.000 1.018 151 R CA -0.823 55.020 56.100 -0.428 0.000 1.072 151 R CB 0.175 29.955 30.300 -0.868 0.000 0.953 151 R HN 0.433 nan 8.270 nan 0.000 0.419 152 P HA -0.165 nan 4.420 nan 0.000 0.222 152 P C -0.049 177.247 177.300 -0.007 0.000 1.147 152 P CA 1.377 64.442 63.100 -0.058 0.000 0.790 152 P CB 0.057 31.792 31.700 0.058 0.000 0.780 153 Y N -1.855 118.438 120.300 -0.011 0.000 2.683 153 Y HA 0.480 5.029 4.550 -0.000 0.000 0.297 153 Y C 0.603 176.473 175.900 -0.051 0.000 1.147 153 Y CA -1.405 56.682 58.100 -0.022 0.000 1.274 153 Y CB -0.930 37.517 38.460 -0.021 0.000 1.143 153 Y HN -0.314 nan 8.280 nan 0.000 0.527 154 V N 2.534 122.328 119.914 -0.200 0.000 2.715 154 V HA 0.130 4.250 4.120 0.000 0.000 0.299 154 V C 0.010 176.038 176.094 -0.110 0.000 1.054 154 V CA -0.761 61.429 62.300 -0.182 0.000 1.077 154 V CB 0.799 32.520 31.823 -0.171 0.000 0.972 154 V HN 0.453 nan 8.190 nan 0.000 0.484 155 K N 7.106 127.396 120.400 -0.184 0.000 2.284 155 K HA 0.415 4.735 4.320 0.000 0.000 0.287 155 K C -0.330 176.247 176.600 -0.038 0.000 1.081 155 K CA -0.082 56.128 56.287 -0.128 0.000 0.910 155 K CB 0.740 33.088 32.500 -0.252 0.000 1.088 155 K HN 0.634 nan 8.250 nan 0.000 0.478 156 R N 1.481 121.982 120.500 0.002 0.000 2.540 156 R HA 0.542 4.883 4.340 0.000 0.000 0.287 156 R C -0.747 175.564 176.300 0.018 0.000 0.980 156 R CA -0.896 55.215 56.100 0.017 0.000 0.966 156 R CB 1.538 31.861 30.300 0.037 0.000 1.106 156 R HN 0.215 nan 8.270 nan 0.000 0.480 157 V N 1.070 120.977 119.914 -0.011 0.000 2.655 157 V HA 0.427 4.547 4.120 0.000 0.000 0.301 157 V C -0.068 175.941 176.094 -0.141 0.000 1.082 157 V CA -0.998 61.270 62.300 -0.053 0.000 0.899 157 V CB 2.009 33.794 31.823 -0.063 0.000 1.014 157 V HN 0.973 nan 8.190 nan 0.000 0.429 158 G N 2.686 111.372 108.800 -0.191 0.000 2.356 158 G HA2 0.590 4.550 3.960 0.000 0.000 0.322 158 G HA3 0.590 4.550 3.960 0.000 0.000 0.322 158 G C -0.869 173.486 174.900 -0.907 0.000 1.125 158 G CA -0.492 44.268 45.100 -0.567 0.000 0.885 158 G HN 0.584 nan 8.290 nan 0.000 0.467 159 V N 3.108 122.309 119.914 -1.188 0.000 2.284 159 V HA 0.434 4.554 4.120 0.000 0.000 0.274 159 V C -0.974 174.603 176.094 -0.862 0.000 1.023 159 V CA -0.568 61.190 62.300 -0.903 0.000 0.808 159 V CB -0.207 31.189 31.823 -0.712 0.000 1.035 159 V HN 0.520 nan 8.190 nan 0.000 0.445 160 F N 1.371 121.336 119.950 0.025 0.000 2.546 160 F HA 0.542 5.069 4.527 0.000 0.000 0.320 160 F C 0.906 176.835 175.800 0.215 0.000 1.076 160 F CA -1.313 56.737 58.000 0.084 0.000 0.928 160 F CB 1.579 40.604 39.000 0.043 0.000 1.189 160 F HN 0.408 nan 8.300 nan 0.000 0.465 161 Q N 0.474 120.450 119.800 0.293 0.000 2.481 161 Q HA -0.243 4.097 4.340 0.000 0.000 0.272 161 Q C 0.702 176.748 176.000 0.077 0.000 1.157 161 Q CA 0.789 56.682 55.803 0.149 0.000 0.935 161 Q CB -1.286 27.515 28.738 0.106 0.000 1.338 161 Q HN 0.815 nan 8.270 nan 0.000 0.494 162 H N -1.744 117.254 119.070 -0.119 0.000 2.439 162 H HA 0.203 4.759 4.556 0.000 0.000 0.299 162 H C 1.541 176.516 175.328 -0.588 0.000 1.033 162 H CA 0.885 56.745 56.048 -0.313 0.000 1.348 162 H CB 0.795 30.324 29.762 -0.390 0.000 1.449 162 H HN 0.524 nan 8.280 nan 0.000 0.544 163 G N 0.037 108.659 108.800 -0.296 0.000 2.482 163 G HA2 -0.269 3.691 3.960 0.000 0.000 0.214 163 G HA3 -0.269 3.691 3.960 0.000 0.000 0.214 163 G C 0.955 175.611 174.900 -0.407 0.000 1.271 163 G CA -0.158 44.773 45.100 -0.281 0.000 0.944 163 G HN 0.367 nan 8.290 nan 0.000 0.568 164 C N 0.733 119.844 119.300 -0.315 0.000 2.409 164 C HA 0.083 4.544 4.460 0.000 0.000 0.284 164 C C 2.492 177.207 174.990 -0.458 0.000 1.354 164 C CA 2.002 60.793 59.018 -0.380 0.000 1.787 164 C CB -2.093 25.504 27.740 -0.239 0.000 1.900 164 C HN 0.632 nan 8.230 nan 0.000 0.520 165 F N 0.507 120.342 119.950 -0.191 0.000 2.776 165 F HA 0.461 4.989 4.527 0.000 0.000 0.300 165 F C 1.881 177.604 175.800 -0.129 0.000 1.116 165 F CA 0.232 58.133 58.000 -0.165 0.000 1.375 165 F CB -1.100 37.874 39.000 -0.044 0.000 1.109 165 F HN -0.010 nan 8.300 nan 0.000 0.585 166 A N 1.395 123.988 122.820 -0.377 0.000 2.125 166 A HA 0.070 4.390 4.320 0.000 0.000 0.219 166 A C 2.423 179.929 177.584 -0.131 0.000 1.156 166 A CA 1.316 53.209 52.037 -0.240 0.000 0.671 166 A CB -1.626 17.168 19.000 -0.344 0.000 0.794 166 A HN 0.531 nan 8.150 nan 0.000 0.459 167 G N -0.384 108.344 108.800 -0.120 0.000 2.422 167 G HA2 0.031 3.991 3.960 0.000 0.000 0.218 167 G HA3 0.031 3.991 3.960 0.000 0.000 0.218 167 G C 1.444 176.302 174.900 -0.071 0.000 1.146 167 G CA 1.128 46.176 45.100 -0.087 0.000 0.769 167 G HN 0.636 nan 8.290 nan 0.000 0.547 168 G N 0.149 108.922 108.800 -0.045 0.000 2.403 168 G HA2 -0.071 3.889 3.960 0.000 0.000 0.216 168 G HA3 -0.071 3.889 3.960 0.000 0.000 0.216 168 G C 1.828 176.706 174.900 -0.037 0.000 1.154 168 G CA 1.606 46.677 45.100 -0.048 0.000 0.784 168 G HN 0.358 nan 8.290 nan 0.000 0.538 169 T N 1.425 115.992 114.554 0.021 0.000 2.684 169 T HA -0.185 4.166 4.350 0.000 0.000 0.267 169 T C 2.700 177.351 174.700 -0.081 0.000 1.036 169 T CA 2.034 64.138 62.100 0.008 0.000 1.148 169 T CB -0.545 68.365 68.868 0.070 0.000 0.863 169 T HN 0.328 nan 8.240 nan 0.000 0.436 170 V N 0.219 120.065 119.914 -0.113 0.000 2.515 170 V HA -0.022 4.098 4.120 0.000 0.000 0.250 170 V C 2.285 178.312 176.094 -0.112 0.000 1.058 170 V CA 1.347 63.568 62.300 -0.131 0.000 1.064 170 V CB -1.172 30.567 31.823 -0.139 0.000 0.675 170 V HN 0.411 nan 8.190 nan 0.000 0.461 171 L N -0.068 121.094 121.223 -0.101 0.000 2.109 171 L HA -0.055 4.285 4.340 0.000 0.000 0.207 171 L C 2.978 179.784 176.870 -0.106 0.000 1.086 171 L CA 2.073 56.853 54.840 -0.099 0.000 0.760 171 L CB -0.544 41.457 42.059 -0.097 0.000 0.910 171 L HN 0.306 nan 8.230 nan 0.000 0.437 172 R N 0.460 120.894 120.500 -0.110 0.000 2.081 172 R HA -0.159 4.182 4.340 0.000 0.000 0.235 172 R C 2.258 178.489 176.300 -0.114 0.000 1.131 172 R CA 1.375 57.401 56.100 -0.123 0.000 0.960 172 R CB -0.153 30.073 30.300 -0.123 0.000 0.856 172 R HN 0.275 nan 8.270 nan 0.000 0.436 173 L N -0.057 121.101 121.223 -0.107 0.000 2.044 173 L HA -0.035 4.305 4.340 0.000 0.000 0.205 173 L C 2.698 179.499 176.870 -0.114 0.000 1.075 173 L CA 1.158 55.935 54.840 -0.105 0.000 0.747 173 L CB -0.572 41.422 42.059 -0.109 0.000 0.903 173 L HN 0.324 nan 8.230 nan 0.000 0.435 174 A N 0.088 122.838 122.820 -0.118 0.000 1.948 174 A HA -0.289 4.032 4.320 0.000 0.000 0.220 174 A C 2.371 179.880 177.584 -0.125 0.000 1.177 174 A CA 2.129 54.089 52.037 -0.127 0.000 0.636 174 A CB -0.517 18.412 19.000 -0.118 0.000 0.815 174 A HN 0.355 nan 8.150 nan 0.000 0.449 175 K N -0.618 119.717 120.400 -0.107 0.000 2.032 175 K HA -0.212 4.109 4.320 0.000 0.000 0.209 175 K C 1.300 177.843 176.600 -0.095 0.000 1.048 175 K CA 1.805 58.036 56.287 -0.093 0.000 0.927 175 K CB -0.210 32.237 32.500 -0.088 0.000 0.712 175 K HN 0.395 nan 8.250 nan 0.000 0.441 176 D N 0.692 121.031 120.400 -0.102 0.000 2.149 176 D HA -0.099 4.541 4.640 0.000 0.000 0.201 176 D C 2.002 178.233 176.300 -0.115 0.000 0.972 176 D CA 0.812 54.756 54.000 -0.093 0.000 0.835 176 D CB 0.008 40.758 40.800 -0.084 0.000 0.966 176 D HN 0.250 nan 8.370 nan 0.000 0.476 177 L N 0.540 121.666 121.223 -0.161 0.000 2.056 177 L HA -0.085 4.255 4.340 0.000 0.000 0.207 177 L C 2.518 179.208 176.870 -0.300 0.000 1.078 177 L CA 1.097 55.774 54.840 -0.272 0.000 0.749 177 L CB -0.536 41.296 42.059 -0.378 0.000 0.901 177 L HN -0.030 nan 8.230 nan 0.000 0.433 178 A N 0.104 122.794 122.820 -0.217 0.000 1.897 178 A HA -0.159 4.161 4.320 0.000 0.000 0.215 178 A C 2.141 179.671 177.584 -0.091 0.000 1.181 178 A CA 1.198 53.142 52.037 -0.154 0.000 0.620 178 A CB -0.331 18.599 19.000 -0.117 0.000 0.821 178 A HN 0.402 nan 8.150 nan 0.000 0.443 179 E N -0.668 119.486 120.200 -0.076 0.000 2.208 179 E HA -0.138 4.212 4.350 0.000 0.000 0.193 179 E C 1.166 177.746 176.600 -0.034 0.000 0.988 179 E CA 0.996 57.370 56.400 -0.043 0.000 0.828 179 E CB -0.092 29.587 29.700 -0.035 0.000 0.763 179 E HN 0.601 nan 8.360 nan 0.000 0.478 180 N N 0.527 119.199 118.700 -0.047 0.000 2.270 180 N HA 0.008 4.748 4.740 0.000 0.000 0.198 180 N C -1.015 174.488 175.510 -0.012 0.000 1.117 180 N CA 0.073 53.108 53.050 -0.026 0.000 0.845 180 N CB 0.473 38.943 38.487 -0.028 0.000 0.980 180 N HN -0.046 nan 8.380 nan 0.000 0.486 181 N N 0.767 119.458 118.700 -0.016 0.000 2.558 181 N HA 0.035 4.776 4.740 0.000 0.000 0.285 181 N C -1.419 174.108 175.510 0.029 0.000 1.112 181 N CA -0.444 52.618 53.050 0.020 0.000 0.857 181 N CB 1.809 40.325 38.487 0.048 0.000 1.376 181 N HN 0.145 nan 8.380 nan 0.000 0.526 182 K N 0.550 120.971 120.400 0.035 0.000 2.451 182 K HA 0.133 4.453 4.320 0.000 0.000 0.280 182 K C 1.076 177.709 176.600 0.055 0.000 1.020 182 K CA 1.227 57.537 56.287 0.037 0.000 1.008 182 K CB 0.143 32.663 32.500 0.033 0.000 0.917 182 K HN 0.745 nan 8.250 nan 0.000 0.478 183 G N 2.018 110.852 108.800 0.057 0.000 2.179 183 G HA2 -0.316 3.645 3.960 0.000 0.000 0.260 183 G HA3 -0.316 3.645 3.960 0.000 0.000 0.260 183 G C 0.140 175.100 174.900 0.101 0.000 0.977 183 G CA 0.163 45.309 45.100 0.078 0.000 0.641 183 G HN 0.941 nan 8.290 nan 0.000 0.533 184 A N 0.421 123.295 122.820 0.091 0.000 2.477 184 A HA 0.653 4.973 4.320 0.000 0.000 0.246 184 A C 0.635 178.260 177.584 0.067 0.000 1.078 184 A CA 0.330 52.437 52.037 0.117 0.000 0.770 184 A CB 0.301 19.327 19.000 0.044 0.000 1.011 184 A HN 0.354 nan 8.150 nan 0.000 0.494 185 R N 2.245 122.800 120.500 0.091 0.000 2.473 185 R HA 0.397 4.737 4.340 0.000 0.000 0.303 185 R C -1.522 174.736 176.300 -0.071 0.000 1.002 185 R CA -0.509 55.578 56.100 -0.023 0.000 0.884 185 R CB 1.493 31.817 30.300 0.040 0.000 1.173 185 R HN 0.463 nan 8.270 nan 0.000 0.464 186 V N 4.669 124.498 119.914 -0.142 0.000 2.383 186 V HA 0.273 4.393 4.120 0.000 0.000 0.275 186 V C 0.116 176.096 176.094 -0.190 0.000 1.036 186 V CA -0.914 61.313 62.300 -0.121 0.000 0.889 186 V CB 1.422 33.166 31.823 -0.132 0.000 0.985 186 V HN 0.451 nan 8.190 nan 0.000 0.459 187 L N 7.401 128.532 121.223 -0.154 0.000 2.265 187 L HA 0.581 4.922 4.340 0.000 0.000 0.288 187 L C -0.288 176.510 176.870 -0.121 0.000 1.058 187 L CA 0.374 55.114 54.840 -0.166 0.000 0.809 187 L CB 1.331 43.311 42.059 -0.132 0.000 1.179 187 L HN 0.442 nan 8.230 nan 0.000 0.429 188 V N 6.036 125.874 119.914 -0.127 0.000 2.448 188 V HA 0.609 4.730 4.120 0.000 0.000 0.295 188 V C -0.528 175.510 176.094 -0.093 0.000 1.025 188 V CA -0.619 61.616 62.300 -0.108 0.000 0.859 188 V CB 1.847 33.603 31.823 -0.112 0.000 0.988 188 V HN 0.541 nan 8.190 nan 0.000 0.431 189 V N 3.650 123.515 119.914 -0.081 0.000 2.525 189 V HA 0.403 4.523 4.120 0.000 0.000 0.299 189 V C -0.510 175.552 176.094 -0.053 0.000 1.034 189 V CA -0.452 61.812 62.300 -0.060 0.000 0.863 189 V CB 1.900 33.697 31.823 -0.045 0.000 0.999 189 V HN 0.950 nan 8.190 nan 0.000 0.423 190 C N 3.397 122.676 119.300 -0.036 0.000 2.298 190 C HA 0.755 5.215 4.460 0.000 0.000 0.323 190 C C 0.503 175.499 174.990 0.009 0.000 1.284 190 C CA -0.347 58.656 59.018 -0.025 0.000 1.577 190 C CB 0.889 28.615 27.740 -0.023 0.000 2.249 190 C HN 0.871 nan 8.230 nan 0.000 0.497 191 S N 3.282 118.989 115.700 0.013 0.000 2.733 191 S HA 0.503 4.973 4.470 0.000 0.000 0.294 191 S C -1.107 173.505 174.600 0.020 0.000 1.149 191 S CA -0.346 57.869 58.200 0.025 0.000 1.034 191 S CB 0.394 63.606 63.200 0.021 0.000 1.015 191 S HN 0.755 nan 8.310 nan 0.000 0.486 192 E N 2.975 123.186 120.200 0.018 0.000 2.210 192 E HA 0.521 4.871 4.350 0.000 0.000 0.266 192 E C -1.167 175.450 176.600 0.027 0.000 0.883 192 E CA -0.720 55.686 56.400 0.010 0.000 0.761 192 E CB 2.096 31.787 29.700 -0.016 0.000 1.156 192 E HN 0.397 nan 8.360 nan 0.000 0.412 193 V N 1.939 121.872 119.914 0.031 0.000 2.525 193 V HA 0.127 4.247 4.120 0.000 0.000 0.299 193 V C 1.131 177.284 176.094 0.100 0.000 1.034 193 V CA -0.685 61.649 62.300 0.057 0.000 0.863 193 V CB 1.712 33.526 31.823 -0.015 0.000 0.999 193 V HN 0.853 nan 8.190 nan 0.000 0.423 194 T N 0.518 115.172 114.554 0.167 0.000 3.155 194 T HA -0.021 4.329 4.350 0.000 0.000 0.264 194 T C 1.644 176.500 174.700 0.259 0.000 1.160 194 T CA 0.893 63.135 62.100 0.237 0.000 1.075 194 T CB 0.035 69.091 68.868 0.313 0.000 0.921 194 T HN 0.799 nan 8.240 nan 0.000 0.533 195 A N 0.773 123.717 122.820 0.206 0.000 2.070 195 A HA 0.081 4.401 4.320 0.000 0.000 0.220 195 A C 2.409 180.092 177.584 0.164 0.000 1.159 195 A CA 1.175 53.332 52.037 0.200 0.000 0.656 195 A CB -0.831 18.268 19.000 0.165 0.000 0.800 195 A HN 0.477 nan 8.150 nan 0.000 0.453 196 V N 0.130 120.123 119.914 0.133 0.000 3.129 196 V HA -0.064 4.056 4.120 0.000 0.000 0.259 196 V C 2.281 178.448 176.094 0.121 0.000 1.116 196 V CA 2.362 64.719 62.300 0.095 0.000 1.127 196 V CB -0.209 31.645 31.823 0.053 0.000 0.742 196 V HN 0.824 nan 8.190 nan 0.000 0.474 197 T N -3.746 110.932 114.554 0.205 0.000 2.971 197 T HA 0.200 4.550 4.350 0.000 0.000 0.252 197 T C 0.493 175.343 174.700 0.249 0.000 1.022 197 T CA -0.250 61.994 62.100 0.240 0.000 0.980 197 T CB -0.277 68.830 68.868 0.397 0.000 1.044 197 T HN 0.223 nan 8.240 nan 0.000 0.501 198 F N 4.753 124.797 119.950 0.156 0.000 2.572 198 F HA 0.435 4.962 4.527 0.001 0.000 0.370 198 F C 0.588 176.441 175.800 0.088 0.000 1.103 198 F CA -0.523 57.568 58.000 0.152 0.000 1.286 198 F CB 0.461 39.569 39.000 0.179 0.000 1.105 198 F HN 0.387 nan 8.300 nan 0.000 0.583 199 R N 3.861 124.091 120.500 -0.449 0.000 2.728 199 R HA 0.560 4.901 4.340 0.000 0.000 0.274 199 R C -0.702 175.388 176.300 -0.351 0.000 1.032 199 R CA -0.814 55.138 56.100 -0.247 0.000 0.866 199 R CB 0.258 30.419 30.300 -0.231 0.000 1.263 199 R HN 0.854 nan 8.270 nan 0.000 0.475 200 G N 1.155 109.850 108.800 -0.176 0.000 2.664 200 G HA2 0.369 4.329 3.960 0.000 0.000 0.242 200 G HA3 0.369 4.329 3.960 0.000 0.000 0.242 200 G C -2.123 172.707 174.900 -0.118 0.000 1.225 200 G CA -0.994 43.962 45.100 -0.239 0.000 0.849 200 G HN 0.549 nan 8.290 nan 0.000 0.581 201 P HA 0.312 nan 4.420 nan 0.000 0.277 201 P C -0.736 176.463 177.300 -0.168 0.000 1.240 201 P CA -0.278 62.674 63.100 -0.246 0.000 0.798 201 P CB 1.851 33.211 31.700 -0.567 0.000 0.979 202 S N 0.532 116.135 115.700 -0.161 0.000 2.652 202 S HA 0.235 4.706 4.470 0.000 0.000 0.273 202 S C 0.373 174.904 174.600 -0.116 0.000 1.172 202 S CA -0.597 57.485 58.200 -0.197 0.000 1.009 202 S CB 0.210 63.117 63.200 -0.487 0.000 1.094 202 S HN 0.459 nan 8.310 nan 0.000 0.471 203 D N 3.135 123.495 120.400 -0.067 0.000 2.403 203 D HA -0.087 4.554 4.640 0.000 0.000 0.227 203 D C 1.557 177.817 176.300 -0.066 0.000 0.995 203 D CA 1.577 55.554 54.000 -0.039 0.000 0.928 203 D CB -0.287 40.499 40.800 -0.024 0.000 0.887 203 D HN 0.575 nan 8.370 nan 0.000 0.529 204 T N -2.303 112.184 114.554 -0.111 0.000 2.914 204 T HA -0.038 4.312 4.350 0.000 0.000 0.240 204 T C 0.668 175.213 174.700 -0.258 0.000 1.025 204 T CA 0.213 62.195 62.100 -0.197 0.000 1.198 204 T CB -0.904 67.800 68.868 -0.272 0.000 0.892 204 T HN 0.138 nan 8.240 nan 0.000 0.417 205 H N 2.026 120.952 119.070 -0.241 0.000 3.045 205 H HA 0.449 5.005 4.556 0.000 0.000 0.254 205 H C 1.061 176.322 175.328 -0.112 0.000 1.747 205 H CA -0.418 55.525 56.048 -0.175 0.000 1.444 205 H CB -0.627 28.951 29.762 -0.307 0.000 1.778 205 H HN 0.225 nan 8.280 nan 0.000 0.544 206 L N 0.591 121.825 121.223 0.018 0.000 2.056 206 L HA -0.171 4.169 4.340 0.000 0.000 0.207 206 L C 1.745 178.653 176.870 0.062 0.000 1.078 206 L CA 1.483 56.345 54.840 0.037 0.000 0.749 206 L CB -0.222 41.853 42.059 0.027 0.000 0.901 206 L HN 0.574 nan 8.230 nan 0.000 0.433 207 D N -1.574 118.869 120.400 0.070 0.000 2.309 207 D HA -0.201 4.439 4.640 0.000 0.000 0.212 207 D C 2.063 178.401 176.300 0.064 0.000 0.968 207 D CA 1.064 55.105 54.000 0.068 0.000 0.882 207 D CB -0.281 40.572 40.800 0.088 0.000 0.918 207 D HN 0.106 nan 8.370 nan 0.000 0.503 208 S N -0.878 114.876 115.700 0.091 0.000 2.453 208 S HA -0.019 4.451 4.470 0.000 0.000 0.231 208 S C 1.584 176.215 174.600 0.052 0.000 1.005 208 S CA -0.014 58.252 58.200 0.109 0.000 0.949 208 S CB -0.340 63.003 63.200 0.238 0.000 0.774 208 S HN 0.248 nan 8.310 nan 0.000 0.510 209 L N 1.335 122.592 121.223 0.057 0.000 2.156 209 L HA 0.143 4.483 4.340 0.000 0.000 0.208 209 L C 2.355 179.261 176.870 0.060 0.000 1.095 209 L CA 1.354 56.232 54.840 0.063 0.000 0.770 209 L CB -0.834 41.306 42.059 0.134 0.000 0.914 209 L HN 0.265 nan 8.230 nan 0.000 0.439 210 V N -0.342 119.570 119.914 -0.003 0.000 2.490 210 V HA -0.166 3.954 4.120 0.000 0.000 0.250 210 V C 2.336 178.251 176.094 -0.298 0.000 1.061 210 V CA 1.848 64.100 62.300 -0.081 0.000 1.064 210 V CB -0.693 31.089 31.823 -0.069 0.000 0.670 210 V HN 0.594 nan 8.190 nan 0.000 0.461 211 G N -1.294 107.218 108.800 -0.480 0.000 2.422 211 G HA2 -0.202 3.758 3.960 0.000 0.000 0.218 211 G HA3 -0.202 3.758 3.960 0.000 0.000 0.218 211 G C 1.373 175.776 174.900 -0.828 0.000 1.140 211 G CA 0.566 44.901 45.100 -1.275 0.000 0.775 211 G HN 0.533 nan 8.290 nan 0.000 0.545 212 Q N 0.378 119.980 119.800 -0.329 0.000 2.297 212 Q HA 0.125 4.465 4.340 0.000 0.000 0.204 212 Q C 2.555 178.566 176.000 0.018 0.000 0.962 212 Q CA 1.084 56.781 55.803 -0.177 0.000 0.879 212 Q CB -0.236 28.265 28.738 -0.396 0.000 0.947 212 Q HN 0.501 nan 8.270 nan 0.000 0.462 213 A N -0.406 122.418 122.820 0.008 0.000 2.095 213 A HA 0.148 4.468 4.320 0.000 0.000 0.212 213 A C 1.884 179.380 177.584 -0.145 0.000 1.162 213 A CA 0.284 52.282 52.037 -0.065 0.000 0.753 213 A CB 0.095 18.976 19.000 -0.199 0.000 0.840 213 A HN 0.258 nan 8.150 nan 0.000 0.468 214 L N -1.719 119.388 121.223 -0.192 0.000 2.445 214 L HA 0.291 4.631 4.340 0.000 0.000 0.207 214 L C -0.159 176.785 176.870 0.123 0.000 1.053 214 L CA -0.316 54.478 54.840 -0.077 0.000 0.841 214 L CB -0.251 41.772 42.059 -0.061 0.000 1.074 214 L HN 0.155 nan 8.230 nan 0.000 0.479 215 F N 1.561 121.507 119.950 -0.007 0.000 2.538 215 F HA 0.469 4.996 4.527 0.000 0.000 0.371 215 F C 0.964 176.774 175.800 0.017 0.000 1.087 215 F CA -0.937 57.073 58.000 0.016 0.000 1.250 215 F CB -0.263 38.770 39.000 0.056 0.000 1.110 215 F HN -0.144 nan 8.300 nan 0.000 0.570 216 G N 1.708 110.635 108.800 0.212 0.000 2.733 216 G HA2 0.531 4.491 3.960 0.000 0.000 0.288 216 G HA3 0.531 4.491 3.960 0.000 0.000 0.288 216 G C -1.696 173.275 174.900 0.118 0.000 1.373 216 G CA -0.861 44.322 45.100 0.138 0.000 0.895 216 G HN 0.362 nan 8.290 nan 0.000 0.479 217 D N -0.845 119.638 120.400 0.138 0.000 2.229 217 D HA 0.712 5.352 4.640 0.000 0.000 0.249 217 D C 0.468 176.816 176.300 0.079 0.000 1.027 217 D CA 0.383 54.454 54.000 0.118 0.000 0.923 217 D CB 1.784 42.683 40.800 0.166 0.000 1.174 217 D HN 0.836 nan 8.370 nan 0.000 0.443 218 G N -1.149 107.678 108.800 0.045 0.000 2.355 218 G HA2 0.624 4.584 3.960 0.000 0.000 0.296 218 G HA3 0.624 4.584 3.960 0.000 0.000 0.296 218 G C -1.980 172.989 174.900 0.114 0.000 1.507 218 G CA -0.325 44.804 45.100 0.048 0.000 0.823 218 G HN 0.596 nan 8.290 nan 0.000 0.569 219 A N -0.929 122.027 122.820 0.227 0.000 2.549 219 A HA 1.087 5.407 4.320 0.000 0.000 0.297 219 A C -0.315 177.357 177.584 0.147 0.000 1.061 219 A CA 0.176 52.309 52.037 0.159 0.000 0.690 219 A CB 1.648 20.687 19.000 0.065 0.000 1.287 219 A HN 2.536 nan 8.150 nan 0.000 0.402 220 A N 0.357 123.212 122.820 0.059 0.000 2.449 220 A HA 0.960 5.280 4.320 0.000 0.000 0.302 220 A C -0.364 177.171 177.584 -0.083 0.000 1.048 220 A CA 0.058 52.035 52.037 -0.099 0.000 0.708 220 A CB 1.465 20.407 19.000 -0.096 0.000 1.274 220 A HN 2.529 nan 8.150 nan 0.000 0.410 221 A N 1.380 124.130 122.820 -0.117 0.000 2.435 221 A HA 0.883 5.204 4.320 0.000 0.000 0.304 221 A C -1.052 176.466 177.584 -0.110 0.000 1.064 221 A CA -0.461 51.517 52.037 -0.099 0.000 0.727 221 A CB 0.997 19.945 19.000 -0.086 0.000 1.284 221 A HN 1.000 nan 8.150 nan 0.000 0.415 222 L N 1.455 122.608 121.223 -0.116 0.000 2.376 222 L HA 0.635 4.975 4.340 0.000 0.000 0.258 222 L C -1.097 175.657 176.870 -0.194 0.000 1.013 222 L CA -0.835 53.926 54.840 -0.130 0.000 0.822 222 L CB 1.968 43.963 42.059 -0.107 0.000 1.388 222 L HN 0.449 nan 8.230 nan 0.000 0.413 223 I N 2.165 122.582 120.570 -0.254 0.000 2.418 223 I HA 0.491 4.661 4.170 0.000 0.000 0.287 223 I C -0.548 175.377 176.117 -0.320 0.000 1.008 223 I CA -0.499 60.541 61.300 -0.433 0.000 1.104 223 I CB 2.007 39.527 38.000 -0.800 0.000 1.264 223 I HN 0.189 nan 8.210 nan 0.000 0.438 224 V N 5.031 124.780 119.914 -0.275 0.000 2.604 224 V HA 0.956 5.076 4.120 0.000 0.000 0.305 224 V C 0.230 176.229 176.094 -0.159 0.000 1.043 224 V CA -0.423 61.772 62.300 -0.175 0.000 0.888 224 V CB 1.992 33.735 31.823 -0.134 0.000 0.995 224 V HN 0.957 nan 8.190 nan 0.000 0.429 225 G N 2.057 110.798 108.800 -0.098 0.000 2.632 225 G HA2 0.558 4.518 3.960 0.000 0.000 0.292 225 G HA3 0.558 4.518 3.960 0.000 0.000 0.292 225 G C -1.228 173.660 174.900 -0.020 0.000 1.465 225 G CA -0.444 44.622 45.100 -0.056 0.000 0.824 225 G HN 0.568 nan 8.290 nan 0.000 0.509 226 S N 0.190 115.884 115.700 -0.009 0.000 2.654 226 S HA 0.557 5.027 4.470 0.000 0.000 0.283 226 S C -0.509 174.104 174.600 0.021 0.000 1.180 226 S CA -0.302 57.900 58.200 0.003 0.000 1.021 226 S CB 1.025 64.223 63.200 -0.003 0.000 1.018 226 S HN 0.705 nan 8.310 nan 0.000 0.532 227 D N 0.942 121.355 120.400 0.022 0.000 2.927 227 D HA -0.094 4.546 4.640 0.000 0.000 0.236 227 D C -2.564 173.759 176.300 0.038 0.000 1.163 227 D CA 0.135 54.151 54.000 0.027 0.000 0.801 227 D CB -1.521 39.295 40.800 0.026 0.000 0.975 227 D HN 0.241 nan 8.370 nan 0.000 0.413 228 P HA 0.074 nan 4.420 nan 0.000 0.266 228 P C 0.081 177.407 177.300 0.044 0.000 1.195 228 P CA -0.452 62.681 63.100 0.054 0.000 0.768 228 P CB 0.727 32.452 31.700 0.042 0.000 0.838 229 V N 6.313 126.258 119.914 0.052 0.000 2.427 229 V HA 0.137 4.257 4.120 0.000 0.000 0.268 229 V C -1.907 174.196 176.094 0.016 0.000 1.046 229 V CA -1.572 60.745 62.300 0.028 0.000 0.970 229 V CB 0.342 32.178 31.823 0.021 0.000 1.001 229 V HN 0.570 nan 8.190 nan 0.000 0.476 230 P HA 0.001 nan 4.420 nan 0.000 0.260 230 P C 0.619 177.915 177.300 -0.007 0.000 1.172 230 P CA 0.706 63.805 63.100 -0.001 0.000 0.760 230 P CB 0.276 31.974 31.700 -0.003 0.000 0.773 231 E N 1.323 121.517 120.200 -0.009 0.000 5.052 231 E HA -0.274 4.076 4.350 0.000 0.000 0.167 231 E C 1.463 178.051 176.600 -0.020 0.000 1.146 231 E CA 1.804 58.195 56.400 -0.016 0.000 2.262 231 E CB -1.987 27.702 29.700 -0.019 0.000 1.785 231 E HN 0.461 nan 8.360 nan 0.000 0.455 232 I N 1.358 121.914 120.570 -0.024 0.000 2.315 232 I HA -0.160 4.010 4.170 0.000 0.000 0.248 232 I C 0.968 177.065 176.117 -0.033 0.000 1.117 232 I CA 1.337 62.610 61.300 -0.045 0.000 1.404 232 I CB -0.078 37.886 38.000 -0.059 0.000 1.071 232 I HN 0.096 nan 8.210 nan 0.000 0.419 233 E N 1.099 121.307 120.200 0.013 0.000 2.227 233 E HA 0.362 4.712 4.350 0.000 0.000 0.268 233 E C -0.696 175.936 176.600 0.054 0.000 0.907 233 E CA -0.785 55.661 56.400 0.077 0.000 0.786 233 E CB 1.592 31.383 29.700 0.152 0.000 1.191 233 E HN -0.095 nan 8.360 nan 0.000 0.411 234 K N 2.733 123.171 120.400 0.062 0.000 2.572 234 K HA 0.373 4.693 4.320 0.000 0.000 0.244 234 K C -2.693 173.906 176.600 -0.001 0.000 0.965 234 K CA -2.161 54.135 56.287 0.015 0.000 0.943 234 K CB 1.296 33.795 32.500 -0.002 0.000 1.154 234 K HN 0.275 nan 8.250 nan 0.000 0.447 235 P HA 0.178 nan 4.420 nan 0.000 0.267 235 P C 0.468 177.705 177.300 -0.104 0.000 1.200 235 P CA 0.014 63.092 63.100 -0.038 0.000 0.772 235 P CB 0.786 32.466 31.700 -0.033 0.000 0.855 236 I N -0.120 120.372 120.570 -0.130 0.000 3.673 236 I HA 0.200 4.370 4.170 0.000 0.000 0.281 236 I C 0.076 175.850 176.117 -0.571 0.000 1.182 236 I CA 0.535 61.639 61.300 -0.326 0.000 1.391 236 I CB 0.229 38.100 38.000 -0.215 0.000 1.383 236 I HN 0.175 nan 8.210 nan 0.000 0.456 237 F N 0.585 120.526 119.950 -0.015 0.000 2.619 237 F HA 0.422 4.949 4.527 0.000 0.000 0.308 237 F C -0.534 175.274 175.800 0.014 0.000 1.097 237 F CA -0.908 57.101 58.000 0.015 0.000 0.953 237 F CB 1.666 40.697 39.000 0.052 0.000 1.287 237 F HN -0.200 nan 8.300 nan 0.000 0.446 238 E N 2.642 122.986 120.200 0.239 0.000 2.183 238 E HA 0.527 4.877 4.350 0.000 0.000 0.271 238 E C -0.951 175.727 176.600 0.131 0.000 0.919 238 E CA -0.831 55.647 56.400 0.131 0.000 0.781 238 E CB 2.324 32.070 29.700 0.077 0.000 1.140 238 E HN 0.471 nan 8.360 nan 0.000 0.402 239 M N 2.293 121.942 119.600 0.082 0.000 2.277 239 M HA 0.176 4.656 4.480 0.000 0.000 0.350 239 M C 0.399 176.749 176.300 0.084 0.000 1.180 239 M CA -0.196 55.139 55.300 0.060 0.000 1.103 239 M CB 1.461 34.066 32.600 0.009 0.000 1.577 239 M HN 0.400 nan 8.290 nan 0.000 0.459 240 V N 1.512 121.494 119.914 0.113 0.000 3.090 240 V HA 0.233 4.353 4.120 0.000 0.000 0.237 240 V C -0.492 175.723 176.094 0.201 0.000 1.209 240 V CA 0.254 62.653 62.300 0.165 0.000 1.209 240 V CB 0.532 32.504 31.823 0.249 0.000 0.971 240 V HN 0.913 nan 8.190 nan 0.000 0.477 241 W N 0.310 121.560 121.300 -0.083 0.000 3.248 241 W HA 0.568 5.228 4.660 0.000 0.000 0.311 241 W C -0.998 175.436 176.519 -0.142 0.000 1.258 241 W CA 0.030 57.305 57.345 -0.117 0.000 1.191 241 W CB 1.562 30.924 29.460 -0.163 0.000 1.389 241 W HN 0.073 nan 8.180 nan 0.000 0.561 242 T N 1.383 115.473 114.554 -0.773 0.000 2.896 242 T HA 0.938 5.288 4.350 0.000 0.000 0.297 242 T C -0.938 173.036 174.700 -1.211 0.000 1.108 242 T CA -0.371 61.276 62.100 -0.756 0.000 1.004 242 T CB 1.670 70.289 68.868 -0.415 0.000 1.159 242 T HN 1.426 nan 8.240 nan 0.000 0.499 243 A N 0.887 123.249 122.820 -0.764 0.000 2.608 243 A HA 0.804 5.124 4.320 0.000 0.000 0.292 243 A C -1.528 175.895 177.584 -0.270 0.000 1.066 243 A CA -0.831 50.859 52.037 -0.578 0.000 0.676 243 A CB 1.946 20.580 19.000 -0.611 0.000 1.277 243 A HN 1.012 nan 8.150 nan 0.000 0.413 244 Q N 0.318 120.002 119.800 -0.193 0.000 2.315 244 Q HA 0.693 5.034 4.340 0.000 0.000 0.273 244 Q C -1.459 174.474 176.000 -0.112 0.000 1.053 244 Q CA -0.302 55.413 55.803 -0.147 0.000 0.817 244 Q CB 2.454 31.092 28.738 -0.166 0.000 1.326 244 Q HN 0.973 nan 8.270 nan 0.000 0.423 245 T N 2.610 117.105 114.554 -0.097 0.000 2.821 245 T HA 0.613 4.964 4.350 0.000 0.000 0.306 245 T C -1.503 173.149 174.700 -0.081 0.000 1.313 245 T CA -0.436 61.624 62.100 -0.067 0.000 1.012 245 T CB 1.131 69.990 68.868 -0.015 0.000 1.298 245 T HN 0.527 nan 8.240 nan 0.000 0.502 246 I N 2.651 123.186 120.570 -0.059 0.000 2.362 246 I HA 0.583 4.753 4.170 0.000 0.000 0.289 246 I C 0.653 176.756 176.117 -0.024 0.000 0.994 246 I CA -1.051 60.218 61.300 -0.051 0.000 1.158 246 I CB 1.606 39.578 38.000 -0.046 0.000 1.315 246 I HN 0.780 nan 8.210 nan 0.000 0.451 247 A N 9.100 131.910 122.820 -0.017 0.000 2.462 247 A HA 0.429 4.749 4.320 0.000 0.000 0.243 247 A C -2.225 175.355 177.584 -0.007 0.000 1.076 247 A CA -0.934 51.096 52.037 -0.011 0.000 0.773 247 A CB -0.467 18.524 19.000 -0.016 0.000 1.010 247 A HN 0.456 nan 8.150 nan 0.000 0.493 248 P HA 0.190 nan 4.420 nan 0.000 0.272 248 P C -0.676 176.623 177.300 -0.001 0.000 1.223 248 P CA 0.219 63.318 63.100 -0.002 0.000 0.784 248 P CB 0.311 32.010 31.700 -0.002 0.000 0.923 249 D N 0.060 120.461 120.400 0.002 0.000 2.689 249 D HA -0.146 4.494 4.640 0.000 0.000 0.237 249 D C 0.375 176.679 176.300 0.007 0.000 1.148 249 D CA 1.718 55.721 54.000 0.005 0.000 0.656 249 D CB -1.804 38.998 40.800 0.003 0.000 1.050 249 D HN 0.424 nan 8.370 nan 0.000 0.426 250 S N -1.768 113.938 115.700 0.011 0.000 2.847 250 S HA 0.086 4.556 4.470 0.000 0.000 0.254 250 S C 0.423 175.041 174.600 0.030 0.000 1.039 250 S CA -0.677 57.533 58.200 0.017 0.000 1.113 250 S CB 0.478 63.684 63.200 0.011 0.000 1.092 250 S HN 0.337 nan 8.310 nan 0.000 0.620 251 E N 1.346 121.563 120.200 0.028 0.000 2.480 251 E HA 0.349 4.699 4.350 0.000 0.000 0.258 251 E C 1.238 177.866 176.600 0.048 0.000 0.984 251 E CA 1.191 57.613 56.400 0.037 0.000 0.930 251 E CB -0.210 29.508 29.700 0.030 0.000 0.936 251 E HN 0.656 nan 8.360 nan 0.000 0.466 252 G N 3.000 111.838 108.800 0.064 0.000 2.199 252 G HA2 -0.394 3.566 3.960 0.000 0.000 0.254 252 G HA3 -0.394 3.566 3.960 0.000 0.000 0.254 252 G C 0.969 175.926 174.900 0.094 0.000 0.982 252 G CA 0.530 45.677 45.100 0.078 0.000 0.632 252 G HN 0.798 nan 8.290 nan 0.000 0.529 253 A N -0.418 122.450 122.820 0.081 0.000 1.908 253 A HA 0.378 4.698 4.320 0.000 0.000 0.218 253 A C 1.212 178.863 177.584 0.111 0.000 1.181 253 A CA 1.708 53.793 52.037 0.080 0.000 0.627 253 A CB -0.101 18.934 19.000 0.058 0.000 0.818 253 A HN 1.060 nan 8.150 nan 0.000 0.445 254 I N 0.275 120.924 120.570 0.132 0.000 2.540 254 I HA 0.270 4.441 4.170 0.000 0.000 0.280 254 I C -1.795 174.451 176.117 0.214 0.000 1.083 254 I CA -0.593 60.812 61.300 0.175 0.000 1.080 254 I CB 1.738 39.829 38.000 0.151 0.000 1.205 254 I HN 0.036 nan 8.210 nan 0.000 0.459 255 D N 4.142 124.691 120.400 0.248 0.000 2.350 255 D HA 0.745 5.385 4.640 0.000 0.000 0.238 255 D C -0.158 176.206 176.300 0.107 0.000 0.989 255 D CA -0.222 53.859 54.000 0.135 0.000 0.921 255 D CB 2.872 43.696 40.800 0.040 0.000 1.297 255 D HN 0.616 nan 8.370 nan 0.000 0.490 256 G N 0.168 108.819 108.800 -0.248 0.000 2.682 256 G HA2 0.501 4.461 3.960 0.000 0.000 0.300 256 G HA3 0.501 4.461 3.960 0.000 0.000 0.300 256 G C -1.460 173.085 174.900 -0.591 0.000 1.391 256 G CA -0.513 44.255 45.100 -0.554 0.000 0.990 256 G HN 0.372 nan 8.290 nan 0.000 0.501 257 H N 2.216 121.208 119.070 -0.130 0.000 2.744 257 H HA 0.272 4.828 4.556 0.000 0.000 0.339 257 H C -0.897 174.374 175.328 -0.095 0.000 1.004 257 H CA -0.765 55.247 56.048 -0.059 0.000 1.257 257 H CB 2.441 32.215 29.762 0.020 0.000 1.552 257 H HN 0.353 nan 8.280 nan 0.000 0.522 258 L N 4.787 126.030 121.223 0.033 0.000 2.283 258 L HA 0.313 4.653 4.340 0.000 0.000 0.287 258 L C -0.320 176.557 176.870 0.010 0.000 1.073 258 L CA 0.161 54.994 54.840 -0.011 0.000 0.822 258 L CB -0.238 41.809 42.059 -0.020 0.000 1.186 258 L HN 0.595 nan 8.230 nan 0.000 0.436 259 R N 3.121 123.621 120.500 -0.001 0.000 3.045 259 R HA 0.287 4.627 4.340 0.000 0.000 0.245 259 R C 0.650 176.940 176.300 -0.016 0.000 1.333 259 R CA -0.710 55.387 56.100 -0.004 0.000 1.036 259 R CB 0.548 30.850 30.300 0.004 0.000 1.340 259 R HN 0.476 nan 8.270 nan 0.000 0.488 260 E N 0.713 120.903 120.200 -0.016 0.000 2.401 260 E HA -0.071 4.280 4.350 0.000 0.000 0.199 260 E C 0.845 177.429 176.600 -0.026 0.000 1.023 260 E CA 1.292 57.681 56.400 -0.018 0.000 0.859 260 E CB 0.126 29.818 29.700 -0.014 0.000 0.780 260 E HN 0.520 nan 8.360 nan 0.000 0.523 261 A N 0.464 123.260 122.820 -0.039 0.000 2.423 261 A HA 0.493 4.813 4.320 0.000 0.000 0.246 261 A C 0.891 178.434 177.584 -0.068 0.000 1.278 261 A CA 0.485 52.483 52.037 -0.065 0.000 0.903 261 A CB 0.066 19.003 19.000 -0.105 0.000 0.997 261 A HN 0.257 nan 8.150 nan 0.000 0.510 262 G N -0.899 107.875 108.800 -0.044 0.000 2.512 262 G HA2 0.093 4.053 3.960 0.000 0.000 0.210 262 G HA3 0.093 4.053 3.960 0.000 0.000 0.210 262 G C -0.699 174.170 174.900 -0.053 0.000 1.295 262 G CA -0.236 44.843 45.100 -0.035 0.000 0.934 262 G HN 1.167 nan 8.290 nan 0.000 0.554 263 L N 1.672 122.858 121.223 -0.061 0.000 2.272 263 L HA 0.751 5.091 4.340 0.000 0.000 0.289 263 L C 0.963 177.733 176.870 -0.167 0.000 1.032 263 L CA 0.542 55.301 54.840 -0.134 0.000 0.810 263 L CB 1.164 43.126 42.059 -0.163 0.000 1.205 263 L HN 1.306 nan 8.230 nan 0.000 0.422 264 T N 1.379 115.814 114.554 -0.198 0.000 2.888 264 T HA 0.664 5.014 4.350 0.000 0.000 0.284 264 T C -0.395 174.139 174.700 -0.278 0.000 1.017 264 T CA -0.494 61.515 62.100 -0.151 0.000 1.022 264 T CB 1.029 69.865 68.868 -0.053 0.000 1.013 264 T HN 0.249 nan 8.240 nan 0.000 0.465 265 F N 0.837 120.758 119.950 -0.049 0.000 2.507 265 F HA 0.459 4.986 4.527 0.000 0.000 0.327 265 F C 0.773 176.444 175.800 -0.214 0.000 1.068 265 F CA -0.919 57.060 58.000 -0.035 0.000 0.965 265 F CB 1.856 40.920 39.000 0.108 0.000 1.192 265 F HN 0.653 nan 8.300 nan 0.000 0.476 266 H N 4.384 123.644 119.070 0.317 0.000 2.569 266 H HA 0.322 4.878 4.556 0.000 0.000 0.247 266 H C -1.346 174.093 175.328 0.186 0.000 1.346 266 H CA -0.563 55.616 56.048 0.218 0.000 1.502 266 H CB 0.984 30.851 29.762 0.175 0.000 1.512 266 H HN 0.396 nan 8.280 nan 0.000 0.502 267 L N 0.630 121.987 121.223 0.222 0.000 2.280 267 L HA 0.454 4.794 4.340 0.000 0.000 0.287 267 L C 0.459 177.397 176.870 0.114 0.000 1.023 267 L CA -0.909 54.022 54.840 0.153 0.000 0.819 267 L CB 1.188 43.309 42.059 0.104 0.000 1.212 267 L HN 0.198 nan 8.230 nan 0.000 0.420 268 K N 1.560 122.021 120.400 0.101 0.000 2.273 268 K HA 0.550 4.870 4.320 0.000 0.000 0.240 268 K C 0.914 177.542 176.600 0.047 0.000 1.056 268 K CA -0.189 56.142 56.287 0.074 0.000 0.910 268 K CB 0.219 32.759 32.500 0.067 0.000 1.196 268 K HN 0.646 nan 8.250 nan 0.000 0.509 269 G N -0.925 107.895 108.800 0.033 0.000 2.985 269 G HA2 0.036 3.996 3.960 0.000 0.000 0.209 269 G HA3 0.036 3.996 3.960 0.000 0.000 0.209 269 G C 1.093 175.996 174.900 0.006 0.000 1.165 269 G CA 0.204 45.315 45.100 0.017 0.000 0.776 269 G HN 0.655 nan 8.290 nan 0.000 0.541 270 A N 0.087 122.913 122.820 0.009 0.000 2.208 270 A HA 0.358 4.678 4.320 0.000 0.000 0.209 270 A C 2.303 179.879 177.584 -0.015 0.000 1.161 270 A CA 0.576 52.612 52.037 -0.003 0.000 0.782 270 A CB -0.086 18.916 19.000 0.003 0.000 0.816 270 A HN 0.156 nan 8.150 nan 0.000 0.477 271 V N 1.010 120.919 119.914 -0.009 0.000 2.250 271 V HA -0.229 3.892 4.120 0.000 0.000 0.250 271 V C 0.004 176.057 176.094 -0.067 0.000 1.060 271 V CA 2.801 65.086 62.300 -0.024 0.000 1.030 271 V CB -1.559 30.263 31.823 -0.002 0.000 0.643 271 V HN 0.390 nan 8.190 nan 0.000 0.445 272 P HA -0.113 nan 4.420 nan 0.000 0.215 272 P C 1.083 178.325 177.300 -0.097 0.000 1.153 272 P CA 1.566 64.613 63.100 -0.089 0.000 0.853 272 P CB -0.094 31.570 31.700 -0.060 0.000 0.788 273 D N -0.693 119.666 120.400 -0.068 0.000 2.097 273 D HA -0.110 4.530 4.640 0.000 0.000 0.195 273 D C 2.018 178.274 176.300 -0.072 0.000 0.989 273 D CA 1.055 55.019 54.000 -0.061 0.000 0.827 273 D CB -0.798 39.979 40.800 -0.039 0.000 0.966 273 D HN 0.209 nan 8.370 nan 0.000 0.456 274 I N 0.539 121.066 120.570 -0.072 0.000 2.226 274 I HA -0.210 3.960 4.170 0.000 0.000 0.245 274 I C 2.419 178.465 176.117 -0.120 0.000 1.100 274 I CA 0.577 61.832 61.300 -0.074 0.000 1.374 274 I CB -0.246 37.723 38.000 -0.052 0.000 1.057 274 I HN -0.113 nan 8.210 nan 0.000 0.413 275 V N 1.098 120.898 119.914 -0.188 0.000 2.261 275 V HA -0.285 3.836 4.120 0.000 0.000 0.246 275 V C 2.712 178.640 176.094 -0.277 0.000 1.047 275 V CA 2.378 64.482 62.300 -0.328 0.000 1.015 275 V CB -0.885 30.587 31.823 -0.584 0.000 0.642 275 V HN 0.609 nan 8.190 nan 0.000 0.446 276 S N 0.114 115.686 115.700 -0.213 0.000 2.382 276 S HA -0.229 4.241 4.470 0.000 0.000 0.228 276 S C 1.898 176.438 174.600 -0.100 0.000 1.027 276 S CA 1.450 59.561 58.200 -0.149 0.000 0.991 276 S CB -0.470 62.662 63.200 -0.113 0.000 0.823 276 S HN 0.626 nan 8.310 nan 0.000 0.469 277 K N 1.175 121.523 120.400 -0.085 0.000 2.288 277 K HA 0.155 4.475 4.320 0.000 0.000 0.201 277 K C 1.323 177.894 176.600 -0.048 0.000 1.048 277 K CA 0.879 57.134 56.287 -0.054 0.000 0.956 277 K CB -0.129 32.346 32.500 -0.043 0.000 0.746 277 K HN 0.397 nan 8.250 nan 0.000 0.461 278 N N 0.479 119.137 118.700 -0.070 0.000 2.236 278 N HA 0.006 4.746 4.740 0.000 0.000 0.196 278 N C 1.331 176.803 175.510 -0.064 0.000 1.114 278 N CA 0.221 53.239 53.050 -0.053 0.000 0.859 278 N CB 0.430 38.887 38.487 -0.050 0.000 0.982 278 N HN 0.065 nan 8.380 nan 0.000 0.493 279 I N 1.291 121.798 120.570 -0.105 0.000 2.394 279 I HA -0.154 4.016 4.170 0.000 0.000 0.251 279 I C 1.937 178.009 176.117 -0.074 0.000 1.136 279 I CA 1.393 62.604 61.300 -0.148 0.000 1.425 279 I CB -0.280 37.620 38.000 -0.167 0.000 1.079 279 I HN -0.040 nan 8.210 nan 0.000 0.425 280 T N 0.455 114.991 114.554 -0.030 0.000 2.708 280 T HA -0.224 4.126 4.350 0.000 0.000 0.266 280 T C 1.989 176.711 174.700 0.036 0.000 1.037 280 T CA 1.617 63.721 62.100 0.006 0.000 1.146 280 T CB -0.206 68.687 68.868 0.041 0.000 0.865 280 T HN 0.331 nan 8.240 nan 0.000 0.435 281 K N 0.891 121.311 120.400 0.034 0.000 2.057 281 K HA -0.068 4.252 4.320 0.000 0.000 0.207 281 K C 2.488 179.133 176.600 0.076 0.000 1.049 281 K CA 1.304 57.621 56.287 0.051 0.000 0.931 281 K CB -0.311 32.212 32.500 0.038 0.000 0.714 281 K HN 0.281 nan 8.250 nan 0.000 0.440 282 A N 1.351 124.224 122.820 0.089 0.000 1.902 282 A HA -0.130 4.190 4.320 0.000 0.000 0.217 282 A C 2.140 179.848 177.584 0.206 0.000 1.181 282 A CA 1.251 53.393 52.037 0.176 0.000 0.623 282 A CB -0.547 18.588 19.000 0.226 0.000 0.818 282 A HN 0.318 nan 8.150 nan 0.000 0.443 283 L N -0.671 120.654 121.223 0.169 0.000 2.056 283 L HA -0.148 4.192 4.340 0.000 0.000 0.207 283 L C 2.533 179.519 176.870 0.194 0.000 1.078 283 L CA 0.996 55.940 54.840 0.174 0.000 0.749 283 L CB -0.479 41.483 42.059 -0.161 0.000 0.901 283 L HN 0.248 nan 8.230 nan 0.000 0.433 284 V N -0.314 119.689 119.914 0.148 0.000 2.343 284 V HA -0.278 3.843 4.120 0.000 0.000 0.247 284 V C 2.467 178.567 176.094 0.011 0.000 1.051 284 V CA 1.857 64.236 62.300 0.131 0.000 1.036 284 V CB -0.390 31.496 31.823 0.105 0.000 0.654 284 V HN 0.405 nan 8.190 nan 0.000 0.451 285 E N 0.396 120.592 120.200 -0.007 0.000 2.110 285 E HA -0.173 4.177 4.350 0.000 0.000 0.193 285 E C 2.076 178.431 176.600 -0.408 0.000 0.988 285 E CA 1.587 57.934 56.400 -0.088 0.000 0.804 285 E CB -0.328 29.416 29.700 0.074 0.000 0.745 285 E HN 0.570 nan 8.360 nan 0.000 0.458 286 A N -1.246 121.310 122.820 -0.439 0.000 1.943 286 A HA 0.054 4.374 4.320 0.000 0.000 0.213 286 A C 1.603 178.591 177.584 -0.994 0.000 1.181 286 A CA 0.716 52.179 52.037 -0.955 0.000 0.653 286 A CB -0.257 18.333 19.000 -0.683 0.000 0.833 286 A HN 0.292 nan 8.150 nan 0.000 0.451 287 F N -0.697 119.082 119.950 -0.283 0.000 2.717 287 F HA 0.209 4.736 4.527 0.000 0.000 0.295 287 F C 1.962 177.630 175.800 -0.220 0.000 1.117 287 F CA 0.474 58.325 58.000 -0.248 0.000 1.361 287 F CB 0.059 39.006 39.000 -0.088 0.000 1.112 287 F HN 0.299 nan 8.300 nan 0.000 0.594 288 E N 1.276 121.456 120.200 -0.033 0.000 2.118 288 E HA -0.184 4.166 4.350 0.000 0.000 0.195 288 E C -0.757 175.768 176.600 -0.126 0.000 0.992 288 E CA 1.318 57.686 56.400 -0.054 0.000 0.804 288 E CB -0.760 28.914 29.700 -0.044 0.000 0.741 288 E HN 0.192 nan 8.360 nan 0.000 0.458 289 P HA -0.115 nan 4.420 nan 0.000 0.225 289 P C 0.587 177.752 177.300 -0.225 0.000 1.148 289 P CA 1.029 63.991 63.100 -0.230 0.000 0.779 289 P CB 0.089 31.587 31.700 -0.336 0.000 0.780 290 L N -3.018 118.053 121.223 -0.253 0.000 2.640 290 L HA 0.342 4.682 4.340 0.000 0.000 0.230 290 L C 1.332 178.090 176.870 -0.186 0.000 1.123 290 L CA 0.388 55.058 54.840 -0.283 0.000 0.900 290 L CB -0.656 41.111 42.059 -0.486 0.000 1.146 290 L HN 0.067 nan 8.230 nan 0.000 0.484 291 G N 1.431 110.157 108.800 -0.124 0.000 2.153 291 G HA2 -0.292 3.668 3.960 0.000 0.000 0.252 291 G HA3 -0.292 3.668 3.960 0.000 0.000 0.252 291 G C 0.160 175.008 174.900 -0.086 0.000 0.994 291 G CA -0.020 45.028 45.100 -0.087 0.000 0.698 291 G HN 0.331 nan 8.290 nan 0.000 0.521 292 I N 1.573 122.092 120.570 -0.085 0.000 2.315 292 I HA 0.379 4.549 4.170 0.000 0.000 0.291 292 I C 1.363 177.396 176.117 -0.141 0.000 1.006 292 I CA 0.264 61.496 61.300 -0.113 0.000 1.265 292 I CB 1.632 39.544 38.000 -0.147 0.000 1.387 292 I HN 0.227 nan 8.210 nan 0.000 0.475 293 S N 1.940 117.495 115.700 -0.241 0.000 2.589 293 S HA 0.084 4.554 4.470 0.000 0.000 0.235 293 S C 0.318 174.503 174.600 -0.690 0.000 1.051 293 S CA -0.371 57.588 58.200 -0.402 0.000 0.978 293 S CB 0.160 63.226 63.200 -0.224 0.000 0.929 293 S HN 0.610 nan 8.310 nan 0.000 0.523 294 D N 1.273 121.406 120.400 -0.446 0.000 2.411 294 D HA 0.241 4.881 4.640 0.000 0.000 0.225 294 D C -0.207 175.930 176.300 -0.272 0.000 1.156 294 D CA -0.643 53.156 54.000 -0.334 0.000 0.874 294 D CB 0.228 40.944 40.800 -0.141 0.000 1.034 294 D HN 0.197 nan 8.370 nan 0.000 0.502 295 Y N 2.070 122.396 120.300 0.042 0.000 2.632 295 Y HA 0.058 4.608 4.550 0.000 0.000 0.301 295 Y C 1.721 177.764 175.900 0.239 0.000 1.172 295 Y CA 0.088 58.271 58.100 0.140 0.000 1.328 295 Y CB -0.280 38.347 38.460 0.279 0.000 1.016 295 Y HN 0.432 nan 8.280 nan 0.000 0.529 296 N N -0.849 117.978 118.700 0.213 0.000 2.353 296 N HA -0.049 4.691 4.740 0.000 0.000 0.185 296 N C 1.514 177.121 175.510 0.162 0.000 1.098 296 N CA 0.875 54.029 53.050 0.173 0.000 0.872 296 N CB 0.102 38.642 38.487 0.087 0.000 0.970 296 N HN 0.339 nan 8.380 nan 0.000 0.467 297 S N 0.090 115.866 115.700 0.125 0.000 2.575 297 S HA 0.155 4.625 4.470 0.000 0.000 0.215 297 S C 0.827 175.514 174.600 0.146 0.000 0.966 297 S CA -0.520 57.746 58.200 0.110 0.000 0.911 297 S CB -0.405 62.827 63.200 0.053 0.000 0.780 297 S HN 0.279 nan 8.310 nan 0.000 0.514 298 I N -1.432 119.231 120.570 0.154 0.000 2.797 298 I HA 0.792 4.962 4.170 0.000 0.000 0.307 298 I C -0.462 175.809 176.117 0.257 0.000 1.033 298 I CA -1.860 59.498 61.300 0.097 0.000 1.071 298 I CB 1.392 39.239 38.000 -0.255 0.000 1.255 298 I HN 0.054 nan 8.210 nan 0.000 0.445 299 F N 0.714 120.766 119.950 0.171 0.000 2.375 299 F HA 0.701 5.228 4.527 0.000 0.000 0.333 299 F C -1.155 174.758 175.800 0.188 0.000 1.104 299 F CA -0.858 57.280 58.000 0.230 0.000 1.149 299 F CB 0.335 39.446 39.000 0.185 0.000 1.190 299 F HN 0.425 nan 8.300 nan 0.000 0.533 300 W N 3.278 124.716 121.300 0.230 0.000 2.606 300 W HA 0.719 5.379 4.660 0.000 0.000 0.332 300 W C -1.409 175.204 176.519 0.157 0.000 1.052 300 W CA -0.743 56.688 57.345 0.143 0.000 1.223 300 W CB 1.920 31.472 29.460 0.154 0.000 1.383 300 W HN 0.305 nan 8.180 nan 0.000 0.524 301 I N 3.161 123.914 120.570 0.305 0.000 2.529 301 I HA 0.566 4.737 4.170 0.000 0.000 0.284 301 I C -0.442 175.825 176.117 0.250 0.000 1.088 301 I CA -0.577 60.854 61.300 0.217 0.000 1.062 301 I CB 1.493 39.532 38.000 0.065 0.000 1.218 301 I HN 0.425 nan 8.210 nan 0.000 0.442 302 A N 3.781 126.782 122.820 0.302 0.000 2.374 302 A HA 0.626 4.946 4.320 0.000 0.000 0.305 302 A C -0.971 176.744 177.584 0.218 0.000 1.053 302 A CA -0.683 51.544 52.037 0.316 0.000 0.726 302 A CB 0.610 19.926 19.000 0.525 0.000 1.229 302 A HN 0.742 nan 8.150 nan 0.000 0.431 303 H N 4.175 123.239 119.070 -0.010 0.000 3.145 303 H HA 0.241 4.797 4.556 0.000 0.000 0.288 303 H C -1.967 173.496 175.328 0.226 0.000 0.969 303 H CA -0.983 55.095 56.048 0.051 0.000 1.444 303 H CB 0.673 30.403 29.762 -0.053 0.000 1.500 303 H HN 0.324 nan 8.280 nan 0.000 0.552 304 P HA 0.092 nan 4.420 nan 0.000 0.225 304 P C 0.950 178.049 177.300 -0.334 0.000 1.813 304 P CA 0.106 63.099 63.100 -0.179 0.000 1.013 304 P CB 0.099 31.754 31.700 -0.074 0.000 1.961 305 G N 1.285 109.896 108.800 -0.315 0.000 2.450 305 G HA2 0.040 4.000 3.960 0.000 0.000 0.220 305 G HA3 0.040 4.000 3.960 0.000 0.000 0.220 305 G C 0.713 175.613 174.900 0.000 0.000 1.130 305 G CA 0.655 45.696 45.100 -0.098 0.000 0.760 305 G HN 0.647 nan 8.290 nan 0.000 0.557 306 G N -1.855 106.939 108.800 -0.010 0.000 2.523 306 G HA2 0.509 4.469 3.960 0.000 0.000 0.291 306 G HA3 0.509 4.469 3.960 0.000 0.000 0.291 306 G C -2.193 172.700 174.900 -0.013 0.000 1.450 306 G CA 0.033 45.128 45.100 -0.007 0.000 0.790 306 G HN -0.133 nan 8.290 nan 0.000 0.496 307 P HA -0.023 nan 4.420 nan 0.000 0.219 307 P C 1.883 179.170 177.300 -0.022 0.000 1.150 307 P CA 1.579 64.667 63.100 -0.019 0.000 0.814 307 P CB 0.256 31.941 31.700 -0.025 0.000 0.787 308 A N 0.424 123.227 122.820 -0.027 0.000 1.902 308 A HA -0.153 4.167 4.320 0.000 0.000 0.217 308 A C 2.378 179.935 177.584 -0.045 0.000 1.181 308 A CA 1.363 53.380 52.037 -0.035 0.000 0.623 308 A CB -1.570 17.409 19.000 -0.034 0.000 0.818 308 A HN 0.124 nan 8.150 nan 0.000 0.443 309 I N -0.276 120.266 120.570 -0.047 0.000 2.208 309 I HA -0.283 3.887 4.170 0.000 0.000 0.245 309 I C 2.335 178.419 176.117 -0.054 0.000 1.097 309 I CA 1.233 62.485 61.300 -0.080 0.000 1.363 309 I CB -0.328 37.623 38.000 -0.082 0.000 1.051 309 I HN 0.320 nan 8.210 nan 0.000 0.413 310 L N -0.054 121.162 121.223 -0.012 0.000 2.056 310 L HA -0.197 4.143 4.340 0.000 0.000 0.207 310 L C 2.165 179.012 176.870 -0.040 0.000 1.078 310 L CA 1.129 55.968 54.840 -0.002 0.000 0.749 310 L CB -0.783 41.286 42.059 0.017 0.000 0.901 310 L HN 0.232 nan 8.230 nan 0.000 0.433 311 D N 0.020 120.396 120.400 -0.040 0.000 2.117 311 D HA -0.192 4.448 4.640 0.000 0.000 0.197 311 D C 2.314 178.580 176.300 -0.057 0.000 0.987 311 D CA 1.214 55.186 54.000 -0.047 0.000 0.829 311 D CB -0.141 40.636 40.800 -0.038 0.000 0.961 311 D HN 0.396 nan 8.370 nan 0.000 0.460 312 Q N 0.082 119.846 119.800 -0.060 0.000 2.123 312 Q HA -0.048 4.292 4.340 0.000 0.000 0.199 312 Q C 2.370 178.325 176.000 -0.074 0.000 0.966 312 Q CA 0.524 56.289 55.803 -0.064 0.000 0.845 312 Q CB 0.209 28.906 28.738 -0.068 0.000 0.907 312 Q HN 0.130 nan 8.270 nan 0.000 0.439 313 V N 1.155 121.017 119.914 -0.087 0.000 2.358 313 V HA -0.268 3.852 4.120 0.000 0.000 0.246 313 V C 2.171 178.189 176.094 -0.126 0.000 1.047 313 V CA 2.061 64.305 62.300 -0.095 0.000 1.035 313 V CB -0.489 31.291 31.823 -0.072 0.000 0.658 313 V HN 0.414 nan 8.190 nan 0.000 0.452 314 E N -0.333 119.784 120.200 -0.139 0.000 2.051 314 E HA -0.284 4.066 4.350 0.000 0.000 0.192 314 E C 2.349 178.890 176.600 -0.098 0.000 0.991 314 E CA 1.402 57.708 56.400 -0.156 0.000 0.799 314 E CB -0.161 29.461 29.700 -0.130 0.000 0.748 314 E HN 0.527 nan 8.360 nan 0.000 0.449 315 Q N 0.824 120.583 119.800 -0.070 0.000 2.046 315 Q HA -0.177 4.163 4.340 0.000 0.000 0.200 315 Q C 2.053 178.033 176.000 -0.034 0.000 0.975 315 Q CA 1.312 57.087 55.803 -0.046 0.000 0.836 315 Q CB -0.048 28.666 28.738 -0.039 0.000 0.896 315 Q HN 0.132 nan 8.270 nan 0.000 0.428 316 K N 0.363 120.741 120.400 -0.037 0.000 2.044 316 K HA -0.114 4.206 4.320 0.000 0.000 0.210 316 K C 2.124 178.728 176.600 0.006 0.000 1.049 316 K CA 1.166 57.442 56.287 -0.018 0.000 0.927 316 K CB -0.210 32.273 32.500 -0.028 0.000 0.713 316 K HN 0.310 nan 8.250 nan 0.000 0.443 317 L N -0.143 121.082 121.223 0.003 0.000 2.607 317 L HA 0.198 4.538 4.340 0.000 0.000 0.228 317 L C 0.629 177.528 176.870 0.047 0.000 1.123 317 L CA 0.123 54.999 54.840 0.059 0.000 0.890 317 L CB -0.048 42.059 42.059 0.080 0.000 1.103 317 L HN 0.081 nan 8.230 nan 0.000 0.468 318 A N 0.909 123.728 122.820 -0.000 0.000 2.739 318 A HA -0.193 4.127 4.320 0.000 0.000 0.296 318 A C 0.228 177.801 177.584 -0.017 0.000 1.488 318 A CA 0.415 52.448 52.037 -0.007 0.000 0.746 318 A CB -2.385 16.622 19.000 0.012 0.000 1.047 318 A HN 0.335 nan 8.150 nan 0.000 0.477 319 L N -0.208 120.975 121.223 -0.067 0.000 2.417 319 L HA 0.271 4.611 4.340 0.000 0.000 0.268 319 L C 1.149 177.969 176.870 -0.082 0.000 1.158 319 L CA -0.369 54.408 54.840 -0.105 0.000 0.819 319 L CB 0.611 42.502 42.059 -0.280 0.000 1.112 319 L HN 0.398 nan 8.230 nan 0.000 0.458 320 K N 2.662 123.029 120.400 -0.056 0.000 2.355 320 K HA 0.081 4.402 4.320 0.000 0.000 0.270 320 K C -1.608 174.960 176.600 -0.053 0.000 1.003 320 K CA -1.309 54.958 56.287 -0.034 0.000 0.957 320 K CB 0.492 32.989 32.500 -0.006 0.000 0.939 320 K HN 0.283 nan 8.250 nan 0.000 0.482 321 P HA -0.254 nan 4.420 nan 0.000 0.217 321 P C 0.803 178.089 177.300 -0.023 0.000 1.148 321 P CA 1.339 64.418 63.100 -0.035 0.000 0.828 321 P CB 0.103 31.791 31.700 -0.020 0.000 0.783 322 E N -0.148 120.049 120.200 -0.005 0.000 2.265 322 E HA -0.190 4.160 4.350 0.000 0.000 0.196 322 E C 1.399 178.018 176.600 0.031 0.000 0.996 322 E CA 0.809 57.221 56.400 0.020 0.000 0.832 322 E CB -0.540 29.180 29.700 0.034 0.000 0.756 322 E HN 0.107 nan 8.360 nan 0.000 0.491 323 K N 0.616 121.011 120.400 -0.009 0.000 2.103 323 K HA -0.051 4.269 4.320 0.000 0.000 0.207 323 K C 1.746 178.356 176.600 0.016 0.000 1.048 323 K CA 1.068 57.346 56.287 -0.014 0.000 0.930 323 K CB -0.186 32.175 32.500 -0.231 0.000 0.716 323 K HN 0.329 nan 8.250 nan 0.000 0.444 324 M N 1.159 120.740 119.600 -0.032 0.000 2.505 324 M HA 0.016 4.497 4.480 0.000 0.000 0.230 324 M C 1.417 177.757 176.300 0.066 0.000 1.153 324 M CA 0.141 55.456 55.300 0.024 0.000 0.997 324 M CB -0.781 31.803 32.600 -0.026 0.000 1.606 324 M HN 0.240 nan 8.290 nan 0.000 0.481 325 N N 1.447 120.190 118.700 0.071 0.000 2.025 325 N HA -0.171 4.569 4.740 0.000 0.000 0.194 325 N C 1.598 177.167 175.510 0.098 0.000 1.044 325 N CA 1.997 55.092 53.050 0.074 0.000 0.851 325 N CB 0.270 38.800 38.487 0.071 0.000 1.036 325 N HN 0.338 nan 8.380 nan 0.000 0.422 326 A N 0.269 123.164 122.820 0.126 0.000 1.908 326 A HA -0.136 4.185 4.320 0.000 0.000 0.218 326 A C 2.374 180.047 177.584 0.147 0.000 1.181 326 A CA 2.203 54.325 52.037 0.142 0.000 0.627 326 A CB -1.163 17.935 19.000 0.163 0.000 0.818 326 A HN 0.495 nan 8.150 nan 0.000 0.445 327 T N -0.360 114.284 114.554 0.150 0.000 2.708 327 T HA -0.143 4.207 4.350 0.000 0.000 0.266 327 T C 2.047 176.812 174.700 0.110 0.000 1.037 327 T CA 1.643 63.828 62.100 0.142 0.000 1.146 327 T CB -0.237 68.727 68.868 0.159 0.000 0.865 327 T HN 0.540 nan 8.240 nan 0.000 0.435 328 R N 0.717 121.270 120.500 0.088 0.000 2.148 328 R HA 0.000 4.340 4.340 0.000 0.000 0.227 328 R C 2.514 178.855 176.300 0.068 0.000 1.103 328 R CA 0.771 56.908 56.100 0.062 0.000 0.983 328 R CB -0.068 30.257 30.300 0.041 0.000 0.874 328 R HN 0.352 nan 8.270 nan 0.000 0.451 329 E N 0.420 120.673 120.200 0.088 0.000 2.072 329 E HA -0.125 4.226 4.350 0.000 0.000 0.191 329 E C 2.130 178.810 176.600 0.132 0.000 0.985 329 E CA 1.004 57.461 56.400 0.094 0.000 0.801 329 E CB -0.094 29.670 29.700 0.107 0.000 0.750 329 E HN 0.124 nan 8.360 nan 0.000 0.452 330 V N 1.552 121.578 119.914 0.186 0.000 2.358 330 V HA -0.219 3.901 4.120 0.000 0.000 0.246 330 V C 2.470 178.693 176.094 0.214 0.000 1.047 330 V CA 1.300 63.775 62.300 0.292 0.000 1.035 330 V CB -0.477 31.496 31.823 0.251 0.000 0.658 330 V HN 0.167 nan 8.190 nan 0.000 0.452 331 L N 0.147 121.438 121.223 0.113 0.000 2.046 331 L HA -0.141 4.200 4.340 0.000 0.000 0.208 331 L C 2.599 179.491 176.870 0.037 0.000 1.077 331 L CA 2.446 57.323 54.840 0.061 0.000 0.747 331 L CB -0.799 41.277 42.059 0.029 0.000 0.896 331 L HN 0.331 nan 8.230 nan 0.000 0.432 332 S N -0.964 114.752 115.700 0.026 0.000 2.356 332 S HA -0.138 4.332 4.470 0.000 0.000 0.223 332 S C 1.765 176.329 174.600 -0.059 0.000 1.032 332 S CA 1.386 59.578 58.200 -0.014 0.000 1.005 332 S CB -0.273 62.921 63.200 -0.009 0.000 0.867 332 S HN 0.605 nan 8.310 nan 0.000 0.449 333 E N -0.810 119.333 120.200 -0.096 0.000 2.447 333 E HA 0.105 4.455 4.350 0.000 0.000 0.195 333 E C 0.447 176.783 176.600 -0.439 0.000 1.028 333 E CA 0.502 56.724 56.400 -0.296 0.000 0.876 333 E CB 0.075 29.518 29.700 -0.429 0.000 0.885 333 E HN 0.746 nan 8.360 nan 0.000 0.500 334 Y N -0.773 119.565 120.300 0.062 0.000 2.437 334 Y HA 0.345 4.895 4.550 0.000 0.000 0.266 334 Y C 1.269 177.159 175.900 -0.017 0.000 1.077 334 Y CA 0.190 58.322 58.100 0.053 0.000 1.235 334 Y CB 0.819 39.225 38.460 -0.090 0.000 1.303 334 Y HN 0.052 nan 8.280 nan 0.000 0.536 335 G N 1.594 110.455 108.800 0.101 0.000 2.693 335 G HA2 -0.302 3.658 3.960 0.000 0.000 0.226 335 G HA3 -0.302 3.658 3.960 0.000 0.000 0.226 335 G C -0.644 174.284 174.900 0.047 0.000 1.354 335 G CA -0.357 44.772 45.100 0.049 0.000 0.873 335 G HN 0.263 nan 8.290 nan 0.000 0.562 336 N N 0.682 119.426 118.700 0.072 0.000 2.482 336 N HA 0.393 5.133 4.740 0.000 0.000 0.242 336 N C 1.078 176.623 175.510 0.058 0.000 1.100 336 N CA -0.181 52.913 53.050 0.073 0.000 0.946 336 N CB -0.057 38.533 38.487 0.173 0.000 1.227 336 N HN 0.474 nan 8.380 nan 0.000 0.508 337 M N 2.052 121.643 119.600 -0.015 0.000 2.723 337 M HA 0.068 4.548 4.480 0.000 0.000 0.270 337 M C 1.037 177.312 176.300 -0.042 0.000 1.282 337 M CA -0.237 55.026 55.300 -0.060 0.000 0.995 337 M CB -0.431 32.050 32.600 -0.199 0.000 1.430 337 M HN 0.612 nan 8.290 nan 0.000 0.477 338 S N 1.059 116.756 115.700 -0.005 0.000 3.938 338 S HA -0.315 4.155 4.470 0.000 0.000 0.624 338 S C 1.523 176.097 174.600 -0.043 0.000 2.186 338 S CA 2.106 60.283 58.200 -0.039 0.000 4.144 338 S CB -1.281 61.823 63.200 -0.160 0.000 0.230 338 S HN 0.753 nan 8.310 nan 0.000 0.755 339 S N 1.653 117.279 115.700 -0.125 0.000 2.420 339 S HA -0.012 4.459 4.470 0.000 0.000 0.237 339 S C 1.967 176.545 174.600 -0.037 0.000 1.023 339 S CA 2.060 60.184 58.200 -0.127 0.000 0.991 339 S CB -1.056 62.059 63.200 -0.142 0.000 0.792 339 S HN 1.623 nan 8.310 nan 0.000 0.488 340 A N 0.543 123.366 122.820 0.005 0.000 2.014 340 A HA 0.069 4.389 4.320 0.000 0.000 0.218 340 A C 2.417 180.092 177.584 0.152 0.000 1.163 340 A CA 0.962 53.055 52.037 0.093 0.000 0.652 340 A CB -1.449 17.625 19.000 0.123 0.000 0.808 340 A HN 0.695 nan 8.150 nan 0.000 0.449 341 C N -0.612 118.733 119.300 0.075 0.000 2.367 341 C HA -0.204 4.256 4.460 0.000 0.000 0.276 341 C C 2.830 177.917 174.990 0.162 0.000 1.195 341 C CA 1.693 60.764 59.018 0.089 0.000 1.756 341 C CB -1.511 26.322 27.740 0.155 0.000 2.046 341 C HN 0.701 nan 8.230 nan 0.000 0.453 342 V N -0.106 119.896 119.914 0.146 0.000 2.568 342 V HA -0.174 3.946 4.120 0.000 0.000 0.253 342 V C 1.980 178.124 176.094 0.083 0.000 1.072 342 V CA 2.027 64.387 62.300 0.101 0.000 1.084 342 V CB -1.001 30.846 31.823 0.041 0.000 0.676 342 V HN 0.637 nan 8.190 nan 0.000 0.469 343 L N -1.896 119.386 121.223 0.098 0.000 2.131 343 L HA 0.044 4.384 4.340 0.000 0.000 0.206 343 L C 2.562 179.474 176.870 0.070 0.000 1.087 343 L CA 1.407 56.280 54.840 0.055 0.000 0.767 343 L CB -0.619 41.454 42.059 0.025 0.000 0.917 343 L HN 0.254 nan 8.230 nan 0.000 0.441 344 F N 0.463 120.382 119.950 -0.053 0.000 2.186 344 F HA -0.156 4.371 4.527 0.000 0.000 0.299 344 F C 2.346 178.143 175.800 -0.005 0.000 1.090 344 F CA 1.305 59.257 58.000 -0.081 0.000 1.307 344 F CB -0.311 38.581 39.000 -0.180 0.000 1.019 344 F HN -0.069 nan 8.300 nan 0.000 0.489 345 I N -0.704 119.995 120.570 0.215 0.000 2.315 345 I HA -0.288 3.882 4.170 0.000 0.000 0.248 345 I C 2.211 178.407 176.117 0.131 0.000 1.117 345 I CA 1.022 62.424 61.300 0.170 0.000 1.404 345 I CB -0.470 37.622 38.000 0.154 0.000 1.071 345 I HN 0.099 nan 8.210 nan 0.000 0.419 346 L N 0.298 121.572 121.223 0.086 0.000 2.083 346 L HA -0.249 4.091 4.340 0.000 0.000 0.209 346 L C 2.232 179.209 176.870 0.179 0.000 1.083 346 L CA 1.406 56.293 54.840 0.079 0.000 0.752 346 L CB -0.564 41.495 42.059 -0.000 0.000 0.899 346 L HN 0.261 nan 8.230 nan 0.000 0.433 347 D N -0.091 120.367 120.400 0.096 0.000 2.097 347 D HA -0.237 4.404 4.640 0.000 0.000 0.197 347 D C 2.033 178.381 176.300 0.079 0.000 0.984 347 D CA 1.158 55.190 54.000 0.054 0.000 0.826 347 D CB 0.170 40.928 40.800 -0.070 0.000 0.973 347 D HN 0.215 nan 8.370 nan 0.000 0.460 348 E N 0.016 120.281 120.200 0.108 0.000 2.058 348 E HA -0.203 4.147 4.350 0.000 0.000 0.194 348 E C 2.185 178.855 176.600 0.116 0.000 0.997 348 E CA 1.216 57.692 56.400 0.127 0.000 0.801 348 E CB -0.506 29.297 29.700 0.171 0.000 0.746 348 E HN 0.399 nan 8.360 nan 0.000 0.450 349 M N 0.229 119.913 119.600 0.140 0.000 2.086 349 M HA -0.203 4.277 4.480 0.000 0.000 0.261 349 M C 2.279 178.641 176.300 0.104 0.000 1.067 349 M CA 2.366 57.749 55.300 0.139 0.000 1.116 349 M CB -0.184 32.527 32.600 0.185 0.000 1.348 349 M HN 0.159 nan 8.290 nan 0.000 0.407 350 R N 0.072 120.648 120.500 0.126 0.000 2.092 350 R HA -0.075 4.266 4.340 0.000 0.000 0.231 350 R C 1.802 178.092 176.300 -0.018 0.000 1.119 350 R CA 1.647 57.749 56.100 0.002 0.000 0.970 350 R CB -0.706 29.558 30.300 -0.059 0.000 0.864 350 R HN 0.333 nan 8.270 nan 0.000 0.440 351 K N 0.715 121.124 120.400 0.016 0.000 2.057 351 K HA -0.083 4.237 4.320 0.000 0.000 0.206 351 K C 2.092 178.700 176.600 0.013 0.000 1.050 351 K CA 1.581 57.873 56.287 0.009 0.000 0.935 351 K CB -0.090 32.424 32.500 0.024 0.000 0.715 351 K HN 0.194 nan 8.250 nan 0.000 0.439 352 K N 0.721 121.140 120.400 0.032 0.000 2.057 352 K HA -0.095 4.225 4.320 0.000 0.000 0.207 352 K C 2.072 178.680 176.600 0.014 0.000 1.049 352 K CA 1.577 57.883 56.287 0.032 0.000 0.931 352 K CB 0.067 32.598 32.500 0.052 0.000 0.714 352 K HN -0.056 nan 8.250 nan 0.000 0.440 353 S N -0.038 115.663 115.700 0.002 0.000 2.368 353 S HA -0.115 4.356 4.470 0.000 0.000 0.225 353 S C 1.853 176.434 174.600 -0.031 0.000 1.030 353 S CA 1.773 59.960 58.200 -0.021 0.000 0.999 353 S CB -0.335 62.833 63.200 -0.054 0.000 0.844 353 S HN 0.443 nan 8.310 nan 0.000 0.459 354 T N 1.880 116.411 114.554 -0.038 0.000 2.777 354 T HA -0.128 4.222 4.350 0.000 0.000 0.266 354 T C 1.935 176.622 174.700 -0.022 0.000 1.040 354 T CA 1.273 63.349 62.100 -0.039 0.000 1.141 354 T CB -0.284 68.558 68.868 -0.044 0.000 0.868 354 T HN 0.454 nan 8.240 nan 0.000 0.444 355 Q N 1.057 120.850 119.800 -0.011 0.000 2.061 355 Q HA -0.150 4.191 4.340 0.000 0.000 0.204 355 Q C 1.190 177.189 176.000 -0.001 0.000 0.984 355 Q CA 1.583 57.385 55.803 -0.002 0.000 0.846 355 Q CB -0.122 28.621 28.738 0.008 0.000 0.902 355 Q HN 0.410 nan 8.270 nan 0.000 0.421 356 N N -0.575 118.125 118.700 0.000 0.000 2.383 356 N HA 0.136 4.877 4.740 0.000 0.000 0.192 356 N C 0.106 175.613 175.510 -0.004 0.000 1.141 356 N CA 0.805 53.856 53.050 0.002 0.000 0.851 356 N CB 0.751 39.243 38.487 0.008 0.000 0.976 356 N HN 0.434 nan 8.380 nan 0.000 0.465 357 G N 0.160 108.953 108.800 -0.011 0.000 2.221 357 G HA2 -0.242 3.718 3.960 0.000 0.000 0.265 357 G HA3 -0.242 3.718 3.960 0.000 0.000 0.265 357 G C -0.113 174.777 174.900 -0.018 0.000 1.041 357 G CA -0.152 44.939 45.100 -0.015 0.000 0.807 357 G HN 0.121 nan 8.290 nan 0.000 0.502 358 L N -0.782 120.428 121.223 -0.022 0.000 2.475 358 L HA 0.371 4.711 4.340 0.000 0.000 0.253 358 L C 1.671 178.519 176.870 -0.037 0.000 1.198 358 L CA 0.005 54.830 54.840 -0.024 0.000 0.814 358 L CB 0.404 42.449 42.059 -0.024 0.000 1.134 358 L HN -0.014 nan 8.230 nan 0.000 0.478 359 K N 0.038 120.416 120.400 -0.036 0.000 2.400 359 K HA 0.062 4.382 4.320 0.000 0.000 0.194 359 K C 0.571 177.130 176.600 -0.068 0.000 1.033 359 K CA 0.289 56.549 56.287 -0.044 0.000 1.021 359 K CB 0.011 32.493 32.500 -0.030 0.000 0.808 359 K HN 0.854 nan 8.250 nan 0.000 0.505 360 T N -3.158 111.343 114.554 -0.088 0.000 2.883 360 T HA 0.176 4.526 4.350 0.000 0.000 0.301 360 T C 0.980 175.565 174.700 -0.192 0.000 1.158 360 T CA -0.503 61.515 62.100 -0.137 0.000 1.007 360 T CB 1.690 70.482 68.868 -0.127 0.000 1.186 360 T HN 0.025 nan 8.240 nan 0.000 0.499 361 T N -1.496 112.883 114.554 -0.291 0.000 3.051 361 T HA 0.160 4.510 4.350 0.000 0.000 0.269 361 T C 1.434 175.930 174.700 -0.341 0.000 1.127 361 T CA 0.763 62.633 62.100 -0.384 0.000 1.107 361 T CB -0.582 67.844 68.868 -0.736 0.000 0.898 361 T HN 1.056 nan 8.240 nan 0.000 0.517 362 G N 1.073 109.613 108.800 -0.434 0.000 4.178 362 G HA2 0.429 4.389 3.960 0.000 0.000 0.287 362 G HA3 0.429 4.389 3.960 0.000 0.000 0.287 362 G C -0.109 174.584 174.900 -0.344 0.000 1.293 362 G CA -0.737 43.882 45.100 -0.802 0.000 1.393 362 G HN 0.512 nan 8.290 nan 0.000 0.623 363 E N -0.971 119.145 120.200 -0.140 0.000 2.586 363 E HA -0.284 4.066 4.350 0.000 0.000 0.259 363 E C 1.514 178.115 176.600 0.001 0.000 1.107 363 E CA 0.543 56.932 56.400 -0.018 0.000 0.754 363 E CB -1.470 28.270 29.700 0.067 0.000 1.335 363 E HN 1.302 nan 8.360 nan 0.000 0.411 364 G N -0.707 108.070 108.800 -0.039 0.000 2.179 364 G HA2 -0.333 3.627 3.960 0.000 0.000 0.260 364 G HA3 -0.333 3.627 3.960 0.000 0.000 0.260 364 G C 0.311 175.227 174.900 0.027 0.000 0.977 364 G CA 0.591 45.685 45.100 -0.011 0.000 0.641 364 G HN 0.260 nan 8.290 nan 0.000 0.533 365 L N -0.283 120.981 121.223 0.069 0.000 2.400 365 L HA 0.572 4.912 4.340 0.000 0.000 0.264 365 L C 1.572 178.548 176.870 0.176 0.000 1.061 365 L CA -0.493 54.449 54.840 0.169 0.000 0.799 365 L CB 1.142 43.390 42.059 0.316 0.000 1.240 365 L HN 0.205 nan 8.230 nan 0.000 0.461 366 E N 0.564 120.865 120.200 0.169 0.000 2.045 366 E HA -0.014 4.336 4.350 0.000 0.000 0.190 366 E C -0.453 176.169 176.600 0.036 0.000 0.968 366 E CA 0.514 56.907 56.400 -0.012 0.000 0.813 366 E CB 0.205 29.790 29.700 -0.191 0.000 0.780 366 E HN 0.465 nan 8.360 nan 0.000 0.455 367 W N -0.256 121.202 121.300 0.263 0.000 2.516 367 W HA 0.603 5.264 4.660 0.000 0.000 0.343 367 W C 0.311 176.645 176.519 -0.310 0.000 1.094 367 W CA -0.428 56.991 57.345 0.123 0.000 1.250 367 W CB 1.514 31.046 29.460 0.120 0.000 1.308 367 W HN 0.087 nan 8.180 nan 0.000 0.588 368 G N -0.266 108.238 108.800 -0.493 0.000 2.682 368 G HA2 0.610 4.570 3.960 0.000 0.000 0.290 368 G HA3 0.610 4.570 3.960 0.000 0.000 0.290 368 G C -2.231 172.334 174.900 -0.558 0.000 1.425 368 G CA -0.807 43.480 45.100 -1.355 0.000 0.807 368 G HN 0.558 nan 8.290 nan 0.000 0.482 369 V N -0.183 119.349 119.914 -0.638 0.000 2.888 369 V HA 0.829 4.949 4.120 0.000 0.000 0.309 369 V C -1.451 174.286 176.094 -0.596 0.000 1.114 369 V CA -0.862 61.105 62.300 -0.556 0.000 0.940 369 V CB 1.864 33.317 31.823 -0.616 0.000 1.021 369 V HN 0.920 nan 8.190 nan 0.000 0.426 370 L N 5.679 126.539 121.223 -0.604 0.000 2.385 370 L HA 0.752 5.093 4.340 0.000 0.000 0.273 370 L C -1.894 174.643 176.870 -0.555 0.000 0.990 370 L CA -0.293 54.297 54.840 -0.418 0.000 0.821 370 L CB 1.742 43.642 42.059 -0.264 0.000 1.279 370 L HN 0.643 nan 8.230 nan 0.000 0.412 371 F N 2.599 122.436 119.950 -0.188 0.000 2.520 371 F HA 0.735 5.262 4.527 0.000 0.000 0.322 371 F C 0.655 176.114 175.800 -0.567 0.000 1.103 371 F CA -0.675 57.122 58.000 -0.339 0.000 0.926 371 F CB 2.268 41.064 39.000 -0.341 0.000 1.154 371 F HN 0.446 nan 8.300 nan 0.000 0.453 372 G N 2.364 110.993 108.800 -0.286 0.000 2.461 372 G HA2 0.672 4.633 3.960 0.000 0.000 0.323 372 G HA3 0.672 4.633 3.960 0.000 0.000 0.323 372 G C -1.859 172.878 174.900 -0.273 0.000 1.229 372 G CA -0.405 44.520 45.100 -0.292 0.000 0.941 372 G HN 0.284 nan 8.290 nan 0.000 0.477 373 F N 0.506 120.561 119.950 0.175 0.000 2.551 373 F HA 0.875 5.402 4.527 0.000 0.000 0.316 373 F C 0.654 176.566 175.800 0.186 0.000 1.089 373 F CA -0.810 57.300 58.000 0.183 0.000 0.915 373 F CB 2.505 41.630 39.000 0.208 0.000 1.186 373 F HN 0.864 nan 8.300 nan 0.000 0.456 374 G N 1.133 110.196 108.800 0.438 0.000 2.427 374 G HA2 0.508 4.468 3.960 0.000 0.000 0.306 374 G HA3 0.508 4.468 3.960 0.000 0.000 0.306 374 G C -3.403 171.727 174.900 0.384 0.000 1.280 374 G CA -1.233 44.112 45.100 0.408 0.000 0.837 374 G HN 0.262 nan 8.290 nan 0.000 0.482 375 P HA 0.247 nan 4.420 nan 0.000 0.264 375 P C 0.964 178.416 177.300 0.253 0.000 1.173 375 P CA 2.311 65.587 63.100 0.293 0.000 0.761 375 P CB 0.558 32.432 31.700 0.290 0.000 0.794 376 G N 2.440 111.331 108.800 0.152 0.000 2.160 376 G HA2 -0.317 3.643 3.960 0.000 0.000 0.251 376 G HA3 -0.317 3.643 3.960 0.000 0.000 0.251 376 G C 0.344 175.270 174.900 0.044 0.000 1.008 376 G CA -0.021 45.129 45.100 0.083 0.000 0.724 376 G HN 0.725 nan 8.290 nan 0.000 0.514 377 L N -0.164 121.105 121.223 0.077 0.000 3.927 377 L HA -0.186 4.154 4.340 0.000 0.000 0.540 377 L C 0.458 177.330 176.870 0.004 0.000 1.118 377 L CA 1.207 56.082 54.840 0.058 0.000 0.761 377 L CB -0.882 41.198 42.059 0.035 0.000 1.212 377 L HN 0.412 nan 8.230 nan 0.000 0.771 378 T N 3.670 118.201 114.554 -0.038 0.000 2.867 378 T HA 0.665 5.015 4.350 0.000 0.000 0.282 378 T C 0.177 174.830 174.700 -0.078 0.000 1.000 378 T CA -0.384 61.581 62.100 -0.225 0.000 1.042 378 T CB 1.820 70.206 68.868 -0.802 0.000 0.973 378 T HN 0.273 nan 8.240 nan 0.000 0.465 379 I N 2.588 123.130 120.570 -0.046 0.000 2.447 379 I HA 0.321 4.491 4.170 0.000 0.000 0.287 379 I C -0.031 176.109 176.117 0.038 0.000 1.023 379 I CA -0.776 60.602 61.300 0.129 0.000 1.083 379 I CB 1.728 39.844 38.000 0.195 0.000 1.245 379 I HN 0.420 nan 8.210 nan 0.000 0.434 380 E N 4.748 124.979 120.200 0.050 0.000 2.175 380 E HA 0.470 4.821 4.350 0.000 0.000 0.278 380 E C -0.896 175.733 176.600 0.049 0.000 0.969 380 E CA -0.405 55.992 56.400 -0.004 0.000 0.796 380 E CB 2.505 32.203 29.700 -0.003 0.000 1.104 380 E HN 0.438 nan 8.360 nan 0.000 0.395 381 T N 1.422 115.957 114.554 -0.032 0.000 2.841 381 T HA 0.455 4.805 4.350 0.000 0.000 0.283 381 T C -0.509 174.057 174.700 -0.223 0.000 1.000 381 T CA -0.575 61.447 62.100 -0.130 0.000 0.977 381 T CB 1.468 70.361 68.868 0.040 0.000 0.979 381 T HN 0.101 nan 8.240 nan 0.000 0.446 382 V N 3.399 123.134 119.914 -0.298 0.000 2.524 382 V HA 0.372 4.493 4.120 0.000 0.000 0.297 382 V C -0.201 175.762 176.094 -0.218 0.000 1.035 382 V CA -0.865 61.306 62.300 -0.215 0.000 0.867 382 V CB 1.870 33.578 31.823 -0.192 0.000 1.004 382 V HN 0.744 nan 8.190 nan 0.000 0.426 383 V N 6.760 126.614 119.914 -0.100 0.000 2.498 383 V HA 0.495 4.615 4.120 0.000 0.000 0.279 383 V C 0.021 176.116 176.094 0.001 0.000 1.048 383 V CA -0.102 62.131 62.300 -0.111 0.000 0.967 383 V CB 1.335 33.068 31.823 -0.149 0.000 0.988 383 V HN 0.640 nan 8.190 nan 0.000 0.473 384 L N 4.740 125.972 121.223 0.015 0.000 2.309 384 L HA 0.752 5.093 4.340 0.000 0.000 0.261 384 L C -0.259 176.763 176.870 0.254 0.000 1.021 384 L CA -0.878 54.028 54.840 0.110 0.000 0.823 384 L CB 2.230 44.311 42.059 0.036 0.000 1.366 384 L HN 0.530 nan 8.230 nan 0.000 0.423 385 R N 0.139 120.810 120.500 0.284 0.000 2.628 385 R HA 0.527 4.867 4.340 0.000 0.000 0.288 385 R C -0.563 175.921 176.300 0.307 0.000 0.980 385 R CA -0.381 55.808 56.100 0.149 0.000 0.891 385 R CB 2.094 32.283 30.300 -0.185 0.000 1.188 385 R HN 0.848 nan 8.270 nan 0.000 0.450 386 S N 1.474 117.329 115.700 0.258 0.000 2.641 386 S HA 0.487 4.957 4.470 0.000 0.000 0.261 386 S C -0.189 174.354 174.600 -0.095 0.000 1.257 386 S CA -0.644 57.595 58.200 0.065 0.000 0.983 386 S CB 1.416 64.556 63.200 -0.101 0.000 0.990 386 S HN 0.270 nan 8.310 nan 0.000 0.572 387 V N 0.761 120.549 119.914 -0.211 0.000 2.656 387 V HA 0.694 4.815 4.120 0.000 0.000 0.307 387 V C 0.485 176.478 176.094 -0.168 0.000 1.051 387 V CA -0.826 61.367 62.300 -0.179 0.000 0.893 387 V CB 1.341 33.042 31.823 -0.203 0.000 0.999 387 V HN 1.240 nan 8.190 nan 0.000 0.426 388 A N 5.396 128.144 122.820 -0.120 0.000 2.567 388 A HA 0.459 4.779 4.320 0.000 0.000 0.240 388 A C 0.438 177.961 177.584 -0.102 0.000 1.053 388 A CA 0.196 52.173 52.037 -0.099 0.000 0.755 388 A CB -0.531 18.426 19.000 -0.072 0.000 0.978 388 A HN 0.914 nan 8.150 nan 0.000 0.507 389 I N 0.000 120.513 120.570 -0.094 0.000 2.984 389 I HA 0.000 4.170 4.170 0.000 0.000 0.288 389 I CA 0.000 61.248 61.300 -0.087 0.000 1.566 389 I CB 0.000 37.961 38.000 -0.065 0.000 1.214 389 I HN 0.000 nan 8.210 nan 0.000 0.494