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 3gxt_1_A DATA FIRST_RESID 32 DATA SEQUENCE LDNGLARTPT MGWLHWERFM cNLDcQEEPD ScISEKLFME MAELMVSEGW DATA SEQUENCE KDAGYEYLCI DDcWMAPQRD SEGRLQADPQ RFPHGIRQLA NYVHSKGLKL DATA SEQUENCE GIYADVGNKT cAGFPGSFGY YDIDAQTFAD WGVDLLKFDG cYCDSLENLA DATA SEQUENCE DGYKHMSLAL NRTGRSIVYS cEWPLYMWPF QKPNYTEIRQ YcNHWRNFAD DATA SEQUENCE IDDSWKSIKS ILDWTSFNQE RIVDVAGPGG WNDPDMLVIG NFGLSWNQQV DATA SEQUENCE TQMALWAIMA APLFMSNDLR HISPQAKALL QDKDVIAINQ DPLGKQGYQL DATA SEQUENCE RQGDNFEVWE RPLSGLAWAV AMINRQEIGG PRSYTIAVAS LGKGVAcNPA DATA SEQUENCE cFITQLLPVK RKLGFYEWTS RLRSHINPTG TVLLQLENTM 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 32 L HA 0.000 nan 4.340 nan 0.000 0.249 32 L C 0.000 176.880 176.870 0.016 0.000 1.165 32 L CA 0.000 54.873 54.840 0.055 0.000 0.813 32 L CB 0.000 42.133 42.059 0.123 0.000 0.961 33 D N 2.613 123.002 120.400 -0.018 0.000 2.736 33 D HA 0.125 4.765 4.640 -0.000 0.000 0.228 33 D C 0.713 177.009 176.300 -0.007 0.000 1.077 33 D CA 0.567 54.556 54.000 -0.018 0.000 1.096 33 D CB 0.167 40.943 40.800 -0.039 0.000 1.138 33 D HN 0.555 nan 8.370 nan 0.000 0.461 34 N N 0.525 119.235 118.700 0.016 0.000 2.200 34 N HA 0.137 4.877 4.740 -0.000 0.000 0.224 34 N C 1.334 176.867 175.510 0.038 0.000 1.179 34 N CA 0.202 53.266 53.050 0.024 0.000 0.877 34 N CB 0.405 38.911 38.487 0.032 0.000 1.072 34 N HN 0.206 nan 8.380 nan 0.000 0.519 35 G N 0.181 109.006 108.800 0.041 0.000 2.234 35 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.260 35 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.260 35 G C -0.240 174.708 174.900 0.080 0.000 0.987 35 G CA 0.626 45.757 45.100 0.052 0.000 0.625 35 G HN 0.339 nan 8.290 nan 0.000 0.532 36 L N -0.414 120.864 121.223 0.093 0.000 2.400 36 L HA 0.664 5.004 4.340 -0.000 0.000 0.264 36 L C 1.715 178.687 176.870 0.169 0.000 1.061 36 L CA -0.441 54.477 54.840 0.129 0.000 0.799 36 L CB 1.338 43.471 42.059 0.123 0.000 1.240 36 L HN 1.194 nan 8.230 nan 0.000 0.461 37 A N 0.782 123.735 122.820 0.222 0.000 2.640 37 A HA -0.202 4.118 4.320 -0.000 0.000 0.300 37 A C 1.668 179.516 177.584 0.439 0.000 1.499 37 A CA 0.636 52.891 52.037 0.364 0.000 0.759 37 A CB -1.200 18.095 19.000 0.493 0.000 1.048 37 A HN 0.775 nan 8.150 nan 0.000 0.450 38 R N -0.216 120.456 120.500 0.287 0.000 2.115 38 R HA -0.065 4.275 4.340 -0.000 0.000 0.230 38 R C 1.277 177.816 176.300 0.399 0.000 1.111 38 R CA 1.704 57.966 56.100 0.269 0.000 0.976 38 R CB -0.555 29.840 30.300 0.159 0.000 0.870 38 R HN 1.139 nan 8.270 nan 0.000 0.445 39 T N -1.466 113.269 114.554 0.302 0.000 2.930 39 T HA 0.468 4.818 4.350 -0.000 0.000 0.290 39 T C -2.873 171.721 174.700 -0.176 0.000 1.052 39 T CA -2.374 59.798 62.100 0.121 0.000 1.017 39 T CB 2.960 71.812 68.868 -0.027 0.000 1.137 39 T HN -0.173 nan 8.240 nan 0.000 0.511 40 P HA 0.150 nan 4.420 nan 0.000 0.267 40 P C -0.020 176.974 177.300 -0.509 0.000 1.205 40 P CA -0.024 62.374 63.100 -1.170 0.000 0.765 40 P CB -0.094 30.799 31.700 -1.345 0.000 0.828 41 T N 4.611 118.971 114.554 -0.323 0.000 2.934 41 T HA 0.122 4.472 4.350 -0.000 0.000 0.306 41 T C 0.667 175.088 174.700 -0.465 0.000 1.042 41 T CA 0.494 62.463 62.100 -0.218 0.000 1.145 41 T CB -0.258 68.559 68.868 -0.086 0.000 0.982 41 T HN 0.330 nan 8.240 nan 0.000 0.544 42 M N 2.319 121.763 119.600 -0.261 0.000 2.456 42 M HA 0.653 5.133 4.480 -0.000 0.000 0.324 42 M C 0.697 177.028 176.300 0.052 0.000 1.124 42 M CA -0.479 54.637 55.300 -0.308 0.000 0.959 42 M CB 2.430 34.791 32.600 -0.399 0.000 1.692 42 M HN 0.896 nan 8.290 nan 0.000 0.444 43 G N 1.138 110.082 108.800 0.240 0.000 2.485 43 G HA2 0.358 4.318 3.960 -0.000 0.000 0.182 43 G HA3 0.358 4.318 3.960 -0.000 0.000 0.182 43 G C -2.844 172.558 174.900 0.837 0.000 1.172 43 G CA -0.674 44.842 45.100 0.693 0.000 0.996 43 G HN 0.775 nan 8.290 nan 0.000 0.496 44 W N -0.117 121.515 121.300 0.553 0.000 3.107 44 W HA 0.796 5.456 4.660 -0.000 0.000 0.331 44 W C -1.920 174.748 176.519 0.249 0.000 1.204 44 W CA -0.932 56.614 57.345 0.334 0.000 1.184 44 W CB 1.693 31.202 29.460 0.082 0.000 1.421 44 W HN 0.480 nan 8.180 nan 0.000 0.544 45 L N 5.514 126.533 121.223 -0.339 0.000 2.470 45 L HA 0.162 4.502 4.340 -0.000 0.000 0.268 45 L C 0.977 177.396 176.870 -0.752 0.000 0.964 45 L CA -0.633 53.985 54.840 -0.370 0.000 0.839 45 L CB 1.781 43.672 42.059 -0.280 0.000 1.276 45 L HN 0.967 nan 8.230 nan 0.000 0.403 46 H N 3.204 122.053 119.070 -0.369 0.000 2.421 46 H HA -0.197 4.359 4.556 -0.000 0.000 0.298 46 H C 1.608 176.951 175.328 0.025 0.000 1.087 46 H CA 1.703 57.601 56.048 -0.250 0.000 1.330 46 H CB -0.148 29.713 29.762 0.165 0.000 1.388 46 H HN 0.705 nan 8.280 nan 0.000 0.526 47 W N 2.000 123.229 121.300 -0.120 0.000 2.292 47 W HA -0.255 4.405 4.660 -0.000 0.000 0.330 47 W C 2.265 178.856 176.519 0.120 0.000 1.264 47 W CA 2.202 59.580 57.345 0.055 0.000 1.235 47 W CB -0.309 29.101 29.460 -0.083 0.000 1.164 47 W HN 0.391 nan 8.180 nan 0.000 0.461 48 E N 0.840 121.102 120.200 0.104 0.000 2.070 48 E HA -0.294 4.056 4.350 -0.000 0.000 0.197 48 E C 2.120 178.640 176.600 -0.133 0.000 1.004 48 E CA 2.094 58.471 56.400 -0.040 0.000 0.805 48 E CB -0.414 29.316 29.700 0.050 0.000 0.744 48 E HN 0.156 nan 8.360 nan 0.000 0.451 49 R N -0.572 119.893 120.500 -0.059 0.000 2.062 49 R HA -0.017 4.323 4.340 -0.000 0.000 0.226 49 R C 2.238 178.371 176.300 -0.278 0.000 1.125 49 R CA 1.610 57.622 56.100 -0.148 0.000 0.966 49 R CB -0.766 29.451 30.300 -0.137 0.000 0.861 49 R HN 0.213 nan 8.270 nan 0.000 0.433 50 F N 0.183 120.069 119.950 -0.107 0.000 2.714 50 F HA 0.300 4.827 4.527 -0.000 0.000 0.294 50 F C 1.068 176.712 175.800 -0.260 0.000 1.120 50 F CA -0.113 57.808 58.000 -0.131 0.000 1.398 50 F CB 0.024 38.962 39.000 -0.104 0.000 1.120 50 F HN -0.119 nan 8.300 nan 0.000 0.589 51 M N -0.765 118.645 119.600 -0.316 0.000 7.319 51 M HA -0.418 4.062 4.480 -0.000 0.000 0.086 51 M C 0.708 176.764 176.300 -0.407 0.000 0.480 51 M CA 1.346 56.103 55.300 -0.905 0.000 1.311 51 M CB -1.418 30.731 32.600 -0.751 0.000 0.421 51 M HN 0.228 nan 8.290 nan 0.000 0.161 52 c N 2.334 120.765 118.600 -0.282 0.000 2.306 52 c HA 0.275 4.844 4.570 -0.000 0.000 0.341 52 c C 0.533 174.664 174.090 0.069 0.000 1.381 52 c CA -0.485 55.897 56.329 0.087 0.000 1.784 52 c CB -2.193 40.492 42.510 0.292 0.000 2.555 52 c HN 0.543 nan 8.230 nan 0.000 0.565 53 N N 1.469 120.170 118.700 0.000 0.000 2.400 53 N HA 0.081 4.821 4.740 -0.000 0.000 0.278 53 N C 0.246 175.783 175.510 0.045 0.000 1.247 53 N CA 0.082 53.141 53.050 0.015 0.000 0.970 53 N CB 0.332 38.815 38.487 -0.008 0.000 1.312 53 N HN 0.493 nan 8.380 nan 0.000 0.488 54 L N 1.445 122.710 121.223 0.071 0.000 2.872 54 L HA 0.375 4.714 4.340 -0.000 0.000 0.245 54 L C 0.275 177.174 176.870 0.048 0.000 1.211 54 L CA -0.374 54.512 54.840 0.077 0.000 1.013 54 L CB -0.579 41.560 42.059 0.133 0.000 1.326 54 L HN 0.311 nan 8.230 nan 0.000 0.525 55 D N -1.053 119.364 120.400 0.027 0.000 2.479 55 D HA 0.214 4.853 4.640 -0.000 0.000 0.218 55 D C 0.820 177.120 176.300 0.001 0.000 1.131 55 D CA -0.063 53.945 54.000 0.014 0.000 0.916 55 D CB 0.729 41.533 40.800 0.008 0.000 1.022 55 D HN 0.191 nan 8.370 nan 0.000 0.515 56 c N 2.645 121.242 118.600 -0.004 0.000 2.495 56 c HA 0.009 4.579 4.570 -0.000 0.000 0.275 56 c C 2.267 176.346 174.090 -0.018 0.000 1.392 56 c CA -0.142 56.175 56.329 -0.019 0.000 1.766 56 c CB -0.552 41.938 42.510 -0.033 0.000 1.933 56 c HN 0.686 nan 8.230 nan 0.000 0.519 57 Q N 1.503 121.296 119.800 -0.011 0.000 2.002 57 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 57 Q C 2.112 178.105 176.000 -0.012 0.000 0.988 57 Q CA 1.944 57.741 55.803 -0.011 0.000 0.843 57 Q CB -0.074 28.660 28.738 -0.007 0.000 0.908 57 Q HN 0.586 nan 8.270 nan 0.000 0.420 58 E N -0.407 119.786 120.200 -0.011 0.000 2.307 58 E HA 0.031 4.381 4.350 -0.000 0.000 0.195 58 E C -0.197 176.393 176.600 -0.016 0.000 0.975 58 E CA 0.345 56.736 56.400 -0.014 0.000 0.878 58 E CB 0.540 30.231 29.700 -0.015 0.000 0.845 58 E HN 0.326 nan 8.360 nan 0.000 0.488 59 E N 1.569 121.760 120.200 -0.015 0.000 2.916 59 E HA 0.160 4.510 4.350 -0.000 0.000 0.217 59 E C -2.048 174.547 176.600 -0.008 0.000 1.100 59 E CA -1.559 54.832 56.400 -0.014 0.000 0.891 59 E CB 1.536 31.224 29.700 -0.019 0.000 1.311 59 E HN 0.052 nan 8.360 nan 0.000 0.421 60 P HA -0.032 nan 4.420 nan 0.000 0.221 60 P C 0.590 177.886 177.300 -0.007 0.000 1.155 60 P CA 0.589 63.679 63.100 -0.017 0.000 0.812 60 P CB 0.548 32.236 31.700 -0.019 0.000 0.801 61 D N -0.005 120.404 120.400 0.015 0.000 2.378 61 D HA -0.034 4.605 4.640 -0.000 0.000 0.222 61 D C 1.084 177.453 176.300 0.115 0.000 0.980 61 D CA 1.146 55.177 54.000 0.052 0.000 0.907 61 D CB 0.052 40.891 40.800 0.064 0.000 0.899 61 D HN 0.325 nan 8.370 nan 0.000 0.527 62 S N -0.959 114.803 115.700 0.103 0.000 2.893 62 S HA 0.071 4.541 4.470 -0.000 0.000 0.258 62 S C 0.816 175.503 174.600 0.144 0.000 1.034 62 S CA -0.696 57.644 58.200 0.234 0.000 1.167 62 S CB -0.803 62.476 63.200 0.133 0.000 1.137 62 S HN 0.317 nan 8.310 nan 0.000 0.650 63 c N 2.420 121.035 118.600 0.025 0.000 2.605 63 c HA 0.666 5.236 4.570 -0.000 0.000 0.404 63 c C 0.708 174.744 174.090 -0.090 0.000 1.284 63 c CA -1.227 55.091 56.329 -0.018 0.000 2.199 63 c CB -0.778 41.717 42.510 -0.025 0.000 2.647 63 c HN 0.464 nan 8.230 nan 0.000 0.604 64 I N 4.753 125.277 120.570 -0.075 0.000 2.460 64 I HA 0.205 4.375 4.170 -0.000 0.000 0.297 64 I C 0.845 176.867 176.117 -0.159 0.000 1.139 64 I CA 1.007 62.260 61.300 -0.079 0.000 1.340 64 I CB -1.425 36.636 38.000 0.101 0.000 1.444 64 I HN 0.975 nan 8.210 nan 0.000 0.557 65 S N 4.147 119.641 115.700 -0.343 0.000 2.599 65 S HA 0.408 4.877 4.470 -0.000 0.000 0.287 65 S C 0.916 175.184 174.600 -0.555 0.000 1.105 65 S CA -0.800 57.057 58.200 -0.572 0.000 0.899 65 S CB 2.569 65.571 63.200 -0.329 0.000 1.100 65 S HN 0.626 nan 8.310 nan 0.000 0.482 66 E N 1.667 121.462 120.200 -0.675 0.000 2.085 66 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 66 E C 1.275 177.816 176.600 -0.099 0.000 0.994 66 E CA 1.160 57.451 56.400 -0.182 0.000 0.801 66 E CB -0.485 29.172 29.700 -0.071 0.000 0.743 66 E HN 0.709 nan 8.360 nan 0.000 0.453 67 K N 0.159 120.452 120.400 -0.178 0.000 2.286 67 K HA -0.144 4.175 4.320 -0.000 0.000 0.203 67 K C 2.075 178.557 176.600 -0.196 0.000 1.045 67 K CA 0.995 57.183 56.287 -0.165 0.000 0.935 67 K CB -0.162 32.254 32.500 -0.141 0.000 0.737 67 K HN 0.113 nan 8.250 nan 0.000 0.460 68 L N 0.019 121.072 121.223 -0.284 0.000 1.988 68 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 68 L C 1.703 178.280 176.870 -0.488 0.000 1.071 68 L CA 1.720 56.287 54.840 -0.456 0.000 0.744 68 L CB -0.463 41.170 42.059 -0.710 0.000 0.893 68 L HN 0.027 nan 8.230 nan 0.000 0.433 69 F N -1.197 118.655 119.950 -0.163 0.000 2.216 69 F HA -0.194 4.333 4.527 -0.000 0.000 0.300 69 F C 2.564 178.287 175.800 -0.128 0.000 1.085 69 F CA 1.237 59.156 58.000 -0.134 0.000 1.326 69 F CB -0.760 38.243 39.000 0.005 0.000 1.027 69 F HN 0.063 nan 8.300 nan 0.000 0.497 70 M N -0.327 119.272 119.600 -0.003 0.000 2.149 70 M HA -0.236 4.243 4.480 -0.000 0.000 0.261 70 M C 2.205 178.478 176.300 -0.045 0.000 1.064 70 M CA 1.733 56.965 55.300 -0.112 0.000 1.102 70 M CB -0.283 32.148 32.600 -0.281 0.000 1.369 70 M HN 0.243 nan 8.290 nan 0.000 0.408 71 E N -0.434 119.697 120.200 -0.114 0.000 2.060 71 E HA -0.128 4.222 4.350 -0.000 0.000 0.189 71 E C 2.020 178.526 176.600 -0.157 0.000 0.974 71 E CA 0.634 56.967 56.400 -0.112 0.000 0.808 71 E CB 0.239 29.864 29.700 -0.124 0.000 0.768 71 E HN 0.299 nan 8.360 nan 0.000 0.453 72 M N 0.775 120.196 119.600 -0.299 0.000 2.082 72 M HA -0.188 4.292 4.480 -0.000 0.000 0.258 72 M C 2.396 178.522 176.300 -0.291 0.000 1.069 72 M CA 1.599 56.616 55.300 -0.472 0.000 1.102 72 M CB -1.415 30.586 32.600 -0.999 0.000 1.336 72 M HN 0.161 nan 8.290 nan 0.000 0.404 73 A N 0.003 122.746 122.820 -0.129 0.000 1.849 73 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 73 A C 2.130 179.723 177.584 0.016 0.000 1.202 73 A CA 2.284 54.320 52.037 -0.001 0.000 0.629 73 A CB -1.154 17.939 19.000 0.155 0.000 0.834 73 A HN 0.553 nan 8.150 nan 0.000 0.447 74 E N -1.137 119.102 120.200 0.065 0.000 2.169 74 E HA -0.255 4.095 4.350 -0.000 0.000 0.202 74 E C 1.782 178.402 176.600 0.032 0.000 1.016 74 E CA 1.638 58.075 56.400 0.060 0.000 0.817 74 E CB -0.204 29.543 29.700 0.079 0.000 0.736 74 E HN 0.506 nan 8.360 nan 0.000 0.462 75 L N -0.620 120.609 121.223 0.010 0.000 2.084 75 L HA -0.080 4.260 4.340 -0.000 0.000 0.202 75 L C 2.282 179.257 176.870 0.176 0.000 1.074 75 L CA 1.262 56.138 54.840 0.059 0.000 0.757 75 L CB -0.430 41.641 42.059 0.021 0.000 0.918 75 L HN 0.198 nan 8.230 nan 0.000 0.444 76 M N -1.261 118.427 119.600 0.147 0.000 2.146 76 M HA -0.339 4.141 4.480 -0.000 0.000 0.251 76 M C 2.163 178.630 176.300 0.280 0.000 1.083 76 M CA 1.787 57.268 55.300 0.302 0.000 1.076 76 M CB -1.048 31.621 32.600 0.116 0.000 1.332 76 M HN 0.135 nan 8.290 nan 0.000 0.400 77 V N 0.579 120.577 119.914 0.139 0.000 2.220 77 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 77 V C 2.576 178.709 176.094 0.064 0.000 1.049 77 V CA 2.504 64.853 62.300 0.082 0.000 1.003 77 V CB -1.075 30.767 31.823 0.033 0.000 0.634 77 V HN 0.671 nan 8.190 nan 0.000 0.444 78 S N -0.766 114.968 115.700 0.057 0.000 2.428 78 S HA -0.084 4.386 4.470 -0.000 0.000 0.230 78 S C 1.598 176.195 174.600 -0.006 0.000 1.014 78 S CA 0.857 59.070 58.200 0.021 0.000 0.957 78 S CB -0.253 62.960 63.200 0.022 0.000 0.784 78 S HN 0.592 nan 8.310 nan 0.000 0.499 79 E N 1.007 121.212 120.200 0.008 0.000 2.479 79 E HA 0.231 4.581 4.350 -0.000 0.000 0.193 79 E C 1.289 177.676 176.600 -0.355 0.000 1.049 79 E CA 0.523 56.849 56.400 -0.123 0.000 0.870 79 E CB 0.026 29.733 29.700 0.011 0.000 0.944 79 E HN 0.712 nan 8.360 nan 0.000 0.492 80 G N 0.742 109.414 108.800 -0.213 0.000 2.132 80 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.234 80 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.234 80 G C 0.688 175.477 174.900 -0.185 0.000 0.989 80 G CA 0.308 45.290 45.100 -0.197 0.000 0.676 80 G HN 0.327 nan 8.290 nan 0.000 0.522 81 W N 0.193 121.536 121.300 0.072 0.000 2.402 81 W HA 0.127 4.787 4.660 -0.000 0.000 0.286 81 W C 2.527 179.192 176.519 0.243 0.000 1.221 81 W CA 1.401 58.833 57.345 0.145 0.000 1.257 81 W CB -0.064 29.415 29.460 0.033 0.000 1.120 81 W HN 0.376 nan 8.180 nan 0.000 0.551 82 K N 0.825 121.419 120.400 0.324 0.000 1.973 82 K HA -0.186 4.133 4.320 -0.000 0.000 0.210 82 K C 1.563 178.255 176.600 0.153 0.000 1.045 82 K CA 2.076 58.494 56.287 0.219 0.000 0.937 82 K CB -0.386 32.192 32.500 0.131 0.000 0.721 82 K HN -0.087 nan 8.250 nan 0.000 0.438 83 D N 0.727 121.184 120.400 0.094 0.000 2.172 83 D HA -0.223 4.417 4.640 -0.000 0.000 0.196 83 D C 1.702 178.042 176.300 0.067 0.000 0.999 83 D CA 1.488 55.519 54.000 0.052 0.000 0.856 83 D CB -0.458 40.351 40.800 0.015 0.000 0.934 83 D HN 0.391 nan 8.370 nan 0.000 0.453 84 A N -0.307 122.588 122.820 0.126 0.000 1.972 84 A HA 0.216 4.536 4.320 -0.000 0.000 0.219 84 A C 2.017 179.628 177.584 0.046 0.000 1.169 84 A CA 2.162 54.286 52.037 0.145 0.000 0.635 84 A CB -0.363 18.838 19.000 0.335 0.000 0.810 84 A HN 0.444 nan 8.150 nan 0.000 0.446 85 G N -3.778 105.057 108.800 0.058 0.000 2.198 85 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.156 85 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.156 85 G C -0.198 174.625 174.900 -0.128 0.000 1.012 85 G CA -0.161 44.896 45.100 -0.072 0.000 0.692 85 G HN 0.345 nan 8.290 nan 0.000 0.492 86 Y N 0.580 120.981 120.300 0.167 0.000 2.365 86 Y HA 0.577 5.127 4.550 -0.000 0.000 0.340 86 Y C 1.258 177.257 175.900 0.165 0.000 1.016 86 Y CA 0.193 58.408 58.100 0.193 0.000 1.196 86 Y CB 1.657 40.279 38.460 0.270 0.000 1.167 86 Y HN 0.198 nan 8.280 nan 0.000 0.509 87 E N 1.291 121.650 120.200 0.264 0.000 2.467 87 E HA 0.142 4.492 4.350 -0.000 0.000 0.213 87 E C -1.233 175.372 176.600 0.008 0.000 0.823 87 E CA 0.189 56.631 56.400 0.071 0.000 1.233 87 E CB 0.304 29.958 29.700 -0.077 0.000 1.233 87 E HN 0.568 nan 8.360 nan 0.000 0.585 88 Y N 0.810 121.298 120.300 0.314 0.000 2.434 88 Y HA 0.392 4.942 4.550 -0.000 0.000 0.341 88 Y C -0.601 175.541 175.900 0.404 0.000 0.965 88 Y CA -0.949 57.367 58.100 0.360 0.000 1.205 88 Y CB 1.073 39.809 38.460 0.461 0.000 1.121 88 Y HN -0.006 nan 8.280 nan 0.000 0.507 89 L N 4.843 126.297 121.223 0.385 0.000 2.283 89 L HA 0.393 4.732 4.340 -0.000 0.000 0.287 89 L C -0.926 176.149 176.870 0.342 0.000 1.073 89 L CA -0.066 54.994 54.840 0.367 0.000 0.822 89 L CB -0.261 41.928 42.059 0.215 0.000 1.186 89 L HN 0.688 nan 8.230 nan 0.000 0.436 90 C N 6.065 125.628 119.300 0.438 0.000 2.301 90 C HA 0.490 4.950 4.460 -0.000 0.000 0.323 90 C C 0.440 175.586 174.990 0.260 0.000 1.265 90 C CA -1.418 57.733 59.018 0.222 0.000 1.503 90 C CB -0.095 27.669 27.740 0.040 0.000 2.195 90 C HN 0.646 nan 8.230 nan 0.000 0.477 91 I N 3.189 123.756 120.570 -0.004 0.000 2.648 91 I HA 0.118 4.288 4.170 -0.000 0.000 0.284 91 I C 0.739 176.906 176.117 0.084 0.000 1.153 91 I CA 0.871 62.169 61.300 -0.004 0.000 1.426 91 I CB 0.310 38.014 38.000 -0.493 0.000 1.381 91 I HN 0.682 nan 8.210 nan 0.000 0.571 92 D N 3.643 124.075 120.400 0.053 0.000 2.570 92 D HA 0.100 4.740 4.640 -0.000 0.000 0.266 92 D C -0.526 175.818 176.300 0.073 0.000 1.182 92 D CA -0.461 53.461 54.000 -0.130 0.000 1.088 92 D CB 1.155 41.625 40.800 -0.549 0.000 1.186 92 D HN 0.437 nan 8.370 nan 0.000 0.618 93 D N -0.736 119.325 120.400 -0.565 0.000 2.406 93 D HA -0.036 4.604 4.640 -0.000 0.000 0.234 93 D C 0.030 176.513 176.300 0.304 0.000 1.196 93 D CA 0.363 53.994 54.000 -0.614 0.000 0.881 93 D CB 0.194 40.458 40.800 -0.893 0.000 1.205 93 D HN 0.506 nan 8.370 nan 0.000 0.453 94 c N 2.515 121.243 118.600 0.213 0.000 4.623 94 c HA -0.105 4.465 4.570 -0.000 0.000 0.294 94 c C 1.183 175.334 174.090 0.102 0.000 1.274 94 c CA 0.099 56.536 56.329 0.181 0.000 2.099 94 c CB -2.262 40.519 42.510 0.450 0.000 1.221 94 c HN 0.771 nan 8.230 nan 0.000 0.767 95 W N -2.083 119.171 121.300 -0.077 0.000 3.008 95 W HA 0.614 5.273 4.660 -0.000 0.000 0.355 95 W C 0.306 176.627 176.519 -0.331 0.000 1.095 95 W CA -0.513 56.729 57.345 -0.172 0.000 1.738 95 W CB -0.556 28.699 29.460 -0.341 0.000 1.091 95 W HN 0.319 nan 8.180 nan 0.000 0.574 96 M N 2.088 121.032 119.600 -1.093 0.000 2.247 96 M HA 0.442 4.921 4.480 -0.000 0.000 0.326 96 M C 0.657 176.620 176.300 -0.561 0.000 1.134 96 M CA 0.102 54.803 55.300 -0.998 0.000 1.136 96 M CB 1.183 33.222 32.600 -0.936 0.000 1.454 96 M HN 0.003 nan 8.290 nan 0.000 0.467 97 A N 2.718 125.360 122.820 -0.297 0.000 2.340 97 A HA 0.465 4.785 4.320 -0.000 0.000 0.268 97 A C -1.710 175.846 177.584 -0.047 0.000 1.100 97 A CA -1.388 50.571 52.037 -0.130 0.000 0.803 97 A CB -0.525 18.448 19.000 -0.045 0.000 1.043 97 A HN 0.720 nan 8.150 nan 0.000 0.488 98 P HA -0.269 nan 4.420 nan 0.000 0.230 98 P C 0.367 177.695 177.300 0.046 0.000 1.124 98 P CA 2.395 65.563 63.100 0.114 0.000 0.985 98 P CB -0.028 31.714 31.700 0.069 0.000 0.774 99 Q N -2.539 117.260 119.800 -0.001 0.000 2.857 99 Q HA 0.425 4.765 4.340 -0.000 0.000 0.319 99 Q C -0.312 175.652 176.000 -0.061 0.000 0.963 99 Q CA -0.966 54.813 55.803 -0.040 0.000 0.770 99 Q CB 1.241 29.956 28.738 -0.038 0.000 1.492 99 Q HN 0.022 nan 8.270 nan 0.000 0.493 100 R N 0.629 121.069 120.500 -0.100 0.000 2.637 100 R HA 0.254 4.594 4.340 -0.000 0.000 0.269 100 R C -0.088 176.184 176.300 -0.046 0.000 1.089 100 R CA -0.106 55.933 56.100 -0.102 0.000 1.177 100 R CB 0.016 30.192 30.300 -0.206 0.000 1.091 100 R HN 0.733 nan 8.270 nan 0.000 0.540 101 D N -0.181 120.208 120.400 -0.018 0.000 2.346 101 D HA 0.002 4.642 4.640 -0.000 0.000 0.249 101 D C -0.532 175.767 176.300 -0.001 0.000 1.308 101 D CA -0.571 53.433 54.000 0.006 0.000 0.987 101 D CB 0.410 41.230 40.800 0.033 0.000 1.114 101 D HN 0.449 nan 8.370 nan 0.000 0.529 102 S N -1.508 114.198 115.700 0.010 0.000 2.399 102 S HA 0.351 4.821 4.470 -0.000 0.000 0.215 102 S C 0.241 174.850 174.600 0.015 0.000 1.456 102 S CA -0.815 57.392 58.200 0.012 0.000 1.199 102 S CB 0.813 64.020 63.200 0.011 0.000 1.063 102 S HN 0.452 nan 8.310 nan 0.000 0.476 103 E N 2.690 122.900 120.200 0.016 0.000 2.879 103 E HA 0.012 4.362 4.350 -0.000 0.000 0.329 103 E C 1.459 178.077 176.600 0.029 0.000 1.106 103 E CA 2.999 59.410 56.400 0.018 0.000 1.303 103 E CB -0.751 28.955 29.700 0.010 0.000 1.056 103 E HN 1.052 nan 8.360 nan 0.000 0.471 104 G N -1.997 106.823 108.800 0.033 0.000 2.191 104 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.090 104 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.090 104 G C -0.864 174.001 174.900 -0.058 0.000 1.980 104 G CA -0.086 45.037 45.100 0.038 0.000 1.116 104 G HN 0.256 nan 8.290 nan 0.000 0.313 105 R N 0.414 120.875 120.500 -0.065 0.000 2.540 105 R HA 0.679 5.019 4.340 -0.000 0.000 0.287 105 R C -0.193 176.059 176.300 -0.079 0.000 0.980 105 R CA -0.754 55.285 56.100 -0.103 0.000 0.966 105 R CB 1.738 31.990 30.300 -0.079 0.000 1.106 105 R HN 0.315 nan 8.270 nan 0.000 0.480 106 L N 2.416 123.582 121.223 -0.095 0.000 2.559 106 L HA -0.056 4.284 4.340 -0.000 0.000 0.282 106 L C 0.461 177.474 176.870 0.240 0.000 1.232 106 L CA 0.847 55.700 54.840 0.020 0.000 0.885 106 L CB -0.092 42.028 42.059 0.101 0.000 1.131 106 L HN 0.402 nan 8.230 nan 0.000 0.498 107 Q N 1.517 121.409 119.800 0.153 0.000 2.351 107 Q HA 0.694 5.034 4.340 -0.000 0.000 0.273 107 Q C -0.359 175.723 176.000 0.137 0.000 1.077 107 Q CA -0.916 55.011 55.803 0.207 0.000 0.843 107 Q CB 2.164 30.963 28.738 0.102 0.000 1.367 107 Q HN 0.769 nan 8.270 nan 0.000 0.449 108 A N 0.910 123.825 122.820 0.158 0.000 2.310 108 A HA 0.125 4.445 4.320 -0.000 0.000 0.260 108 A C -0.456 177.166 177.584 0.064 0.000 1.112 108 A CA -0.202 51.893 52.037 0.097 0.000 0.804 108 A CB 0.145 19.146 19.000 0.001 0.000 1.081 108 A HN 0.759 nan 8.150 nan 0.000 0.499 109 D N -0.247 120.239 120.400 0.144 0.000 2.390 109 D HA 0.320 4.960 4.640 -0.000 0.000 0.249 109 D C -1.630 174.755 176.300 0.143 0.000 1.144 109 D CA -1.076 53.007 54.000 0.139 0.000 0.880 109 D CB 0.947 41.864 40.800 0.196 0.000 1.182 109 D HN 0.111 nan 8.370 nan 0.000 0.451 110 P HA -0.108 nan 4.420 nan 0.000 0.219 110 P C 0.687 178.002 177.300 0.025 0.000 1.150 110 P CA 1.194 64.320 63.100 0.044 0.000 0.814 110 P CB 0.319 32.033 31.700 0.023 0.000 0.787 111 Q N -0.636 119.181 119.800 0.030 0.000 2.061 111 Q HA 0.047 4.387 4.340 -0.000 0.000 0.195 111 Q C 2.132 178.117 176.000 -0.025 0.000 0.967 111 Q CA 1.217 57.019 55.803 -0.002 0.000 0.829 111 Q CB -0.319 28.421 28.738 0.003 0.000 0.900 111 Q HN 0.190 nan 8.270 nan 0.000 0.450 112 R N -0.984 119.518 120.500 0.003 0.000 2.280 112 R HA 0.148 4.488 4.340 -0.000 0.000 0.195 112 R C -0.142 175.947 176.300 -0.352 0.000 0.935 112 R CA 0.339 56.359 56.100 -0.133 0.000 1.033 112 R CB 0.489 30.739 30.300 -0.083 0.000 0.964 112 R HN 0.107 nan 8.270 nan 0.000 0.489 113 F N 0.831 120.785 119.950 0.008 0.000 2.577 113 F HA 0.295 4.822 4.527 -0.000 0.000 0.342 113 F C -1.696 174.078 175.800 -0.043 0.000 1.479 113 F CA -2.204 55.800 58.000 0.006 0.000 1.110 113 F CB 1.532 40.556 39.000 0.039 0.000 1.306 113 F HN -0.155 nan 8.300 nan 0.000 0.554 114 P HA -0.202 nan 4.420 nan 0.000 0.218 114 P C 1.252 178.477 177.300 -0.125 0.000 1.149 114 P CA 1.714 64.747 63.100 -0.112 0.000 0.817 114 P CB 0.170 31.706 31.700 -0.272 0.000 0.785 115 H N -0.541 118.544 119.070 0.024 0.000 2.551 115 H HA 0.222 4.778 4.556 -0.000 0.000 0.266 115 H C 1.381 176.694 175.328 -0.024 0.000 0.977 115 H CA 1.100 57.146 56.048 -0.003 0.000 1.163 115 H CB -0.386 29.363 29.762 -0.022 0.000 1.381 115 H HN 0.182 nan 8.280 nan 0.000 0.581 116 G N 0.642 109.484 108.800 0.070 0.000 2.814 116 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.677 116 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.677 116 G C 0.784 175.556 174.900 -0.213 0.000 1.429 116 G CA -0.148 44.894 45.100 -0.097 0.000 0.868 116 G HN 0.183 nan 8.290 nan 0.000 0.553 117 I N 0.267 120.491 120.570 -0.577 0.000 2.406 117 I HA -0.028 4.142 4.170 -0.000 0.000 0.249 117 I C 2.946 178.789 176.117 -0.457 0.000 1.122 117 I CA 1.049 61.976 61.300 -0.622 0.000 1.431 117 I CB -1.007 36.369 38.000 -1.041 0.000 1.087 117 I HN 0.593 nan 8.210 nan 0.000 0.424 118 R N 1.309 121.466 120.500 -0.571 0.000 2.162 118 R HA -0.275 4.065 4.340 -0.000 0.000 0.245 118 R C 2.172 178.432 176.300 -0.067 0.000 1.129 118 R CA 2.147 58.133 56.100 -0.189 0.000 0.940 118 R CB -0.648 29.596 30.300 -0.093 0.000 0.875 118 R HN 0.429 nan 8.270 nan 0.000 0.437 119 Q N -0.457 119.302 119.800 -0.068 0.000 2.123 119 Q HA -0.065 4.275 4.340 -0.000 0.000 0.199 119 Q C 1.955 177.948 176.000 -0.012 0.000 0.966 119 Q CA 0.911 56.702 55.803 -0.020 0.000 0.845 119 Q CB -0.212 28.512 28.738 -0.024 0.000 0.907 119 Q HN 0.161 nan 8.270 nan 0.000 0.439 120 L N 0.388 121.585 121.223 -0.042 0.000 1.989 120 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 120 L C 1.987 178.831 176.870 -0.045 0.000 1.071 120 L CA 2.250 57.077 54.840 -0.022 0.000 0.749 120 L CB -1.205 40.831 42.059 -0.040 0.000 0.890 120 L HN 0.201 nan 8.230 nan 0.000 0.431 121 A N -0.249 122.496 122.820 -0.125 0.000 1.859 121 A HA -0.363 3.957 4.320 -0.000 0.000 0.218 121 A C 2.170 179.584 177.584 -0.283 0.000 1.209 121 A CA 2.551 54.428 52.037 -0.267 0.000 0.639 121 A CB -1.330 17.616 19.000 -0.090 0.000 0.835 121 A HN 0.713 nan 8.150 nan 0.000 0.450 122 N N -2.022 116.664 118.700 -0.024 0.000 2.049 122 N HA -0.295 4.444 4.740 -0.000 0.000 0.198 122 N C 1.801 177.345 175.510 0.056 0.000 1.030 122 N CA 2.062 55.157 53.050 0.075 0.000 0.870 122 N CB -0.391 38.148 38.487 0.086 0.000 1.045 122 N HN 0.642 nan 8.380 nan 0.000 0.434 123 Y N 2.107 122.369 120.300 -0.063 0.000 2.053 123 Y HA -0.274 4.276 4.550 -0.000 0.000 0.277 123 Y C 2.311 178.176 175.900 -0.058 0.000 1.159 123 Y CA 1.484 59.553 58.100 -0.052 0.000 1.125 123 Y CB -0.597 37.828 38.460 -0.058 0.000 0.969 123 Y HN -0.161 nan 8.280 nan 0.000 0.492 124 V N 0.451 120.378 119.914 0.022 0.000 2.324 124 V HA -0.383 3.737 4.120 -0.000 0.000 0.250 124 V C 2.378 178.401 176.094 -0.118 0.000 1.060 124 V CA 2.377 64.634 62.300 -0.071 0.000 1.042 124 V CB -0.927 30.826 31.823 -0.117 0.000 0.650 124 V HN 0.540 nan 8.190 nan 0.000 0.450 125 H N 0.795 119.847 119.070 -0.030 0.000 2.357 125 H HA -0.087 4.468 4.556 -0.000 0.000 0.301 125 H C 2.666 177.945 175.328 -0.081 0.000 1.082 125 H CA 1.829 57.853 56.048 -0.039 0.000 1.342 125 H CB -0.780 28.978 29.762 -0.007 0.000 1.389 125 H HN 0.641 nan 8.280 nan 0.000 0.511 126 S N 0.951 116.650 115.700 -0.002 0.000 2.419 126 S HA -0.120 4.350 4.470 -0.000 0.000 0.235 126 S C 1.773 176.293 174.600 -0.134 0.000 1.019 126 S CA 0.938 59.090 58.200 -0.079 0.000 0.982 126 S CB -0.035 63.091 63.200 -0.123 0.000 0.789 126 S HN 0.198 nan 8.310 nan 0.000 0.490 127 K N 1.034 121.316 120.400 -0.196 0.000 2.439 127 K HA 0.120 4.440 4.320 -0.000 0.000 0.197 127 K C 1.383 177.947 176.600 -0.061 0.000 1.041 127 K CA 0.698 56.891 56.287 -0.156 0.000 0.970 127 K CB -0.644 31.735 32.500 -0.200 0.000 0.773 127 K HN 0.683 nan 8.250 nan 0.000 0.479 128 G N 1.267 110.051 108.800 -0.027 0.000 2.142 128 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.225 128 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.225 128 G C -0.122 174.780 174.900 0.004 0.000 1.015 128 G CA -0.001 45.096 45.100 -0.004 0.000 0.716 128 G HN 0.185 nan 8.290 nan 0.000 0.508 129 L N -1.227 120.008 121.223 0.021 0.000 2.256 129 L HA 0.783 5.123 4.340 -0.000 0.000 0.261 129 L C 0.324 177.229 176.870 0.059 0.000 1.022 129 L CA -1.225 53.622 54.840 0.012 0.000 0.828 129 L CB 1.787 43.858 42.059 0.020 0.000 1.374 129 L HN -0.027 nan 8.230 nan 0.000 0.436 130 K N 1.369 121.746 120.400 -0.037 0.000 2.345 130 K HA 0.510 4.830 4.320 -0.000 0.000 0.255 130 K C -1.476 175.185 176.600 0.101 0.000 0.934 130 K CA -0.833 55.458 56.287 0.008 0.000 0.801 130 K CB 2.609 34.886 32.500 -0.371 0.000 1.137 130 K HN 0.245 nan 8.250 nan 0.000 0.424 131 L N 1.508 122.819 121.223 0.147 0.000 2.312 131 L HA 0.531 4.871 4.340 -0.000 0.000 0.281 131 L C -0.152 176.823 176.870 0.176 0.000 1.070 131 L CA 0.366 55.267 54.840 0.103 0.000 0.805 131 L CB 1.311 43.341 42.059 -0.049 0.000 1.174 131 L HN 0.692 nan 8.230 nan 0.000 0.434 132 G N 4.936 113.824 108.800 0.146 0.000 2.432 132 G HA2 0.637 4.596 3.960 -0.000 0.000 0.331 132 G HA3 0.637 4.596 3.960 -0.000 0.000 0.331 132 G C -1.305 173.535 174.900 -0.100 0.000 1.170 132 G CA -0.515 44.628 45.100 0.072 0.000 0.943 132 G HN 0.822 nan 8.290 nan 0.000 0.483 133 I N -0.604 119.864 120.570 -0.170 0.000 3.445 133 I HA 0.796 4.966 4.170 -0.000 0.000 0.303 133 I C -1.640 174.426 176.117 -0.084 0.000 1.129 133 I CA -1.596 59.521 61.300 -0.305 0.000 0.989 133 I CB 2.536 40.219 38.000 -0.529 0.000 1.314 133 I HN 0.539 nan 8.210 nan 0.000 0.488 134 Y N 2.374 122.634 120.300 -0.068 0.000 2.512 134 Y HA 0.809 5.359 4.550 -0.000 0.000 0.348 134 Y C -0.942 175.251 175.900 0.488 0.000 0.990 134 Y CA -0.299 57.933 58.100 0.220 0.000 1.033 134 Y CB 1.739 40.377 38.460 0.296 0.000 1.259 134 Y HN 0.717 nan 8.280 nan 0.000 0.461 135 A N 3.651 126.437 122.820 -0.056 0.000 2.557 135 A HA 0.544 4.863 4.320 -0.000 0.000 0.292 135 A C -2.157 175.185 177.584 -0.403 0.000 1.139 135 A CA -0.737 51.363 52.037 0.105 0.000 0.665 135 A CB 1.666 20.998 19.000 0.553 0.000 1.285 135 A HN 0.713 nan 8.150 nan 0.000 0.433 136 D N -1.079 119.173 120.400 -0.247 0.000 2.342 136 D HA 0.449 5.089 4.640 -0.000 0.000 0.243 136 D C 0.590 176.470 176.300 -0.701 0.000 1.019 136 D CA -0.142 53.551 54.000 -0.511 0.000 0.864 136 D CB 2.191 42.891 40.800 -0.166 0.000 1.315 136 D HN 0.316 nan 8.370 nan 0.000 0.468 137 V N 2.718 122.011 119.914 -1.035 0.000 2.867 137 V HA 0.116 4.235 4.120 -0.000 0.000 0.260 137 V C 1.191 177.170 176.094 -0.192 0.000 1.099 137 V CA 2.075 63.975 62.300 -0.666 0.000 1.122 137 V CB -0.600 30.719 31.823 -0.839 0.000 0.708 137 V HN 0.599 nan 8.190 nan 0.000 0.490 138 G N -0.779 107.904 108.800 -0.196 0.000 3.182 138 G HA2 0.090 4.049 3.960 -0.000 0.000 0.167 138 G HA3 0.090 4.049 3.960 -0.000 0.000 0.167 138 G C 0.643 175.521 174.900 -0.036 0.000 1.537 138 G CA 0.284 45.314 45.100 -0.116 0.000 1.046 138 G HN 0.343 nan 8.290 nan 0.000 0.580 139 N N -0.384 118.301 118.700 -0.024 0.000 2.273 139 N HA 0.178 4.918 4.740 -0.000 0.000 0.192 139 N C -0.035 175.433 175.510 -0.070 0.000 1.132 139 N CA 0.449 53.484 53.050 -0.025 0.000 0.887 139 N CB 1.059 39.503 38.487 -0.073 0.000 1.048 139 N HN 0.317 nan 8.380 nan 0.000 0.490 140 K N 0.179 120.541 120.400 -0.064 0.000 2.532 140 K HA 0.252 4.572 4.320 -0.000 0.000 0.265 140 K C -0.355 176.333 176.600 0.146 0.000 0.948 140 K CA -0.608 55.636 56.287 -0.072 0.000 0.842 140 K CB 2.171 34.420 32.500 -0.420 0.000 1.392 140 K HN -0.076 nan 8.250 nan 0.000 0.436 141 T N -2.490 112.166 114.554 0.171 0.000 2.748 141 T HA 0.019 4.369 4.350 -0.000 0.000 0.304 141 T C 1.394 176.277 174.700 0.304 0.000 1.041 141 T CA -0.435 61.834 62.100 0.280 0.000 1.033 141 T CB 0.475 69.584 68.868 0.401 0.000 0.995 141 T HN 0.682 nan 8.240 nan 0.000 0.536 142 c N 0.923 119.668 118.600 0.241 0.000 2.401 142 c HA 0.039 4.609 4.570 -0.000 0.000 0.286 142 c C 3.092 177.286 174.090 0.173 0.000 1.332 142 c CA 0.916 57.337 56.329 0.153 0.000 1.795 142 c CB -2.163 40.389 42.510 0.070 0.000 1.922 142 c HN 0.987 nan 8.230 nan 0.000 0.520 143 A N -1.199 121.706 122.820 0.142 0.000 1.984 143 A HA 0.434 4.754 4.320 -0.000 0.000 0.214 143 A C 1.922 179.397 177.584 -0.181 0.000 1.173 143 A CA 1.615 53.673 52.037 0.035 0.000 0.673 143 A CB -0.393 18.671 19.000 0.107 0.000 0.830 143 A HN 1.060 nan 8.150 nan 0.000 0.453 144 G N -2.553 106.137 108.800 -0.184 0.000 2.273 144 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.162 144 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.162 144 G C -0.076 174.584 174.900 -0.400 0.000 1.006 144 G CA -0.232 44.668 45.100 -0.333 0.000 0.704 144 G HN 0.255 nan 8.290 nan 0.000 0.487 145 F N 2.563 122.495 119.950 -0.029 0.000 2.399 145 F HA 0.509 5.036 4.527 -0.000 0.000 0.342 145 F C -1.323 174.423 175.800 -0.090 0.000 1.106 145 F CA -2.527 55.422 58.000 -0.084 0.000 1.196 145 F CB 0.204 39.124 39.000 -0.134 0.000 1.163 145 F HN -0.175 nan 8.300 nan 0.000 0.547 146 P HA -0.101 nan 4.420 nan 0.000 0.265 146 P C 0.232 177.529 177.300 -0.005 0.000 1.151 146 P CA 0.336 63.416 63.100 -0.033 0.000 0.755 146 P CB 0.178 31.814 31.700 -0.106 0.000 0.756 147 G N 1.611 110.405 108.800 -0.011 0.000 2.535 147 G HA2 0.283 4.243 3.960 -0.000 0.000 0.282 147 G HA3 0.283 4.243 3.960 -0.000 0.000 0.282 147 G C 0.685 175.595 174.900 0.018 0.000 1.350 147 G CA -0.402 44.705 45.100 0.012 0.000 1.039 147 G HN 0.408 nan 8.290 nan 0.000 0.509 148 S N -1.152 114.562 115.700 0.023 0.000 2.523 148 S HA 0.158 4.628 4.470 -0.000 0.000 0.217 148 S C 0.339 174.761 174.600 -0.297 0.000 0.996 148 S CA -0.573 57.640 58.200 0.021 0.000 0.921 148 S CB -0.030 63.350 63.200 0.300 0.000 0.829 148 S HN 0.430 nan 8.310 nan 0.000 0.495 149 F N 3.033 122.713 119.950 -0.450 0.000 2.607 149 F HA 0.422 4.949 4.527 -0.000 0.000 0.374 149 F C 1.432 176.955 175.800 -0.463 0.000 1.104 149 F CA 0.969 58.560 58.000 -0.681 0.000 1.296 149 F CB -0.046 38.786 39.000 -0.278 0.000 1.085 149 F HN 0.309 nan 8.300 nan 0.000 0.584 150 G N 4.488 112.443 108.800 -1.409 0.000 2.377 150 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.250 150 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.250 150 G C 0.536 174.934 174.900 -0.838 0.000 1.039 150 G CA 0.677 45.116 45.100 -1.102 0.000 0.625 150 G HN 0.728 nan 8.290 nan 0.000 0.526 151 Y N 0.248 120.239 120.300 -0.514 0.000 2.571 151 Y HA 0.459 5.009 4.550 -0.000 0.000 0.275 151 Y C 2.148 177.926 175.900 -0.203 0.000 1.179 151 Y CA -0.383 57.538 58.100 -0.298 0.000 1.242 151 Y CB -0.078 38.244 38.460 -0.230 0.000 1.126 151 Y HN 0.299 nan 8.280 nan 0.000 0.524 152 Y N 0.545 120.838 120.300 -0.012 0.000 2.097 152 Y HA -0.295 4.255 4.550 -0.000 0.000 0.282 152 Y C 2.012 177.924 175.900 0.021 0.000 1.152 152 Y CA 1.419 59.543 58.100 0.040 0.000 1.136 152 Y CB -0.500 37.990 38.460 0.050 0.000 0.975 152 Y HN 0.189 nan 8.280 nan 0.000 0.498 153 D N -0.280 120.227 120.400 0.179 0.000 2.144 153 D HA -0.139 4.500 4.640 -0.000 0.000 0.199 153 D C 2.022 178.321 176.300 -0.002 0.000 0.984 153 D CA 1.571 55.618 54.000 0.079 0.000 0.834 153 D CB -0.243 40.592 40.800 0.058 0.000 0.955 153 D HN 0.323 nan 8.370 nan 0.000 0.465 154 I N 1.135 121.694 120.570 -0.018 0.000 2.480 154 I HA -0.127 4.043 4.170 -0.000 0.000 0.251 154 I C 1.829 177.834 176.117 -0.186 0.000 1.124 154 I CA 0.766 62.022 61.300 -0.072 0.000 1.444 154 I CB -0.248 37.743 38.000 -0.016 0.000 1.098 154 I HN -0.230 nan 8.210 nan 0.000 0.428 155 D N 1.310 121.603 120.400 -0.178 0.000 2.084 155 D HA -0.168 4.471 4.640 -0.000 0.000 0.194 155 D C 2.388 178.327 176.300 -0.602 0.000 0.990 155 D CA 1.788 55.510 54.000 -0.464 0.000 0.826 155 D CB -0.558 40.126 40.800 -0.193 0.000 0.971 155 D HN 0.279 nan 8.370 nan 0.000 0.453 156 A N 0.644 123.387 122.820 -0.127 0.000 1.896 156 A HA -0.349 3.971 4.320 -0.000 0.000 0.220 156 A C 2.209 179.760 177.584 -0.055 0.000 1.206 156 A CA 2.660 54.718 52.037 0.035 0.000 0.647 156 A CB -0.980 18.024 19.000 0.006 0.000 0.828 156 A HN 0.238 nan 8.150 nan 0.000 0.455 157 Q N -1.173 118.545 119.800 -0.137 0.000 2.046 157 Q HA -0.094 4.245 4.340 -0.000 0.000 0.200 157 Q C 2.173 178.022 176.000 -0.251 0.000 0.975 157 Q CA 2.295 58.015 55.803 -0.138 0.000 0.836 157 Q CB -0.643 28.024 28.738 -0.119 0.000 0.896 157 Q HN 0.661 nan 8.270 nan 0.000 0.428 158 T N 0.458 114.747 114.554 -0.443 0.000 2.597 158 T HA -0.207 4.142 4.350 -0.000 0.000 0.267 158 T C 1.306 175.469 174.700 -0.895 0.000 1.053 158 T CA 1.825 63.467 62.100 -0.764 0.000 1.165 158 T CB -0.553 67.747 68.868 -0.947 0.000 0.863 158 T HN 0.230 nan 8.240 nan 0.000 0.427 159 F N 1.742 121.384 119.950 -0.514 0.000 2.095 159 F HA -0.010 4.517 4.527 -0.000 0.000 0.298 159 F C 2.745 178.490 175.800 -0.091 0.000 1.104 159 F CA 0.462 58.303 58.000 -0.264 0.000 1.232 159 F CB -1.437 37.517 39.000 -0.076 0.000 0.987 159 F HN 0.169 nan 8.300 nan 0.000 0.475 160 A N -0.088 122.795 122.820 0.105 0.000 1.972 160 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 160 A C 1.881 179.506 177.584 0.069 0.000 1.169 160 A CA 1.958 54.046 52.037 0.085 0.000 0.635 160 A CB -0.828 18.195 19.000 0.040 0.000 0.810 160 A HN 0.302 nan 8.150 nan 0.000 0.446 161 D N -1.295 119.094 120.400 -0.017 0.000 2.178 161 D HA -0.132 4.508 4.640 -0.000 0.000 0.202 161 D C 1.439 177.875 176.300 0.227 0.000 0.974 161 D CA 0.770 54.794 54.000 0.040 0.000 0.841 161 D CB -0.244 40.526 40.800 -0.049 0.000 0.953 161 D HN 0.694 nan 8.370 nan 0.000 0.478 162 W N 0.205 121.569 121.300 0.107 0.000 2.658 162 W HA 0.286 4.946 4.660 -0.000 0.000 0.263 162 W C 1.466 178.059 176.519 0.123 0.000 1.274 162 W CA 1.064 58.471 57.345 0.103 0.000 1.343 162 W CB -0.446 29.077 29.460 0.104 0.000 1.106 162 W HN 0.129 nan 8.180 nan 0.000 0.615 163 G N -0.019 108.996 108.800 0.360 0.000 2.131 163 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.201 163 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.201 163 G C -0.054 175.053 174.900 0.344 0.000 1.000 163 G CA -0.134 45.167 45.100 0.334 0.000 0.680 163 G HN -0.031 nan 8.290 nan 0.000 0.514 164 V N 0.379 120.466 119.914 0.288 0.000 2.694 164 V HA 0.235 4.355 4.120 -0.000 0.000 0.306 164 V C 1.212 177.427 176.094 0.202 0.000 1.054 164 V CA 1.551 63.972 62.300 0.202 0.000 1.161 164 V CB 1.064 32.962 31.823 0.125 0.000 0.916 164 V HN 0.447 nan 8.190 nan 0.000 0.490 165 D N 2.973 123.515 120.400 0.236 0.000 2.407 165 D HA 0.345 4.985 4.640 -0.000 0.000 0.208 165 D C -0.017 176.452 176.300 0.281 0.000 1.083 165 D CA 0.037 54.217 54.000 0.300 0.000 0.844 165 D CB 0.720 41.775 40.800 0.425 0.000 0.967 165 D HN 0.388 nan 8.370 nan 0.000 0.506 166 L N 0.372 121.701 121.223 0.177 0.000 2.424 166 L HA 0.577 4.917 4.340 -0.000 0.000 0.258 166 L C -2.170 174.696 176.870 -0.007 0.000 0.995 166 L CA -1.200 53.687 54.840 0.077 0.000 0.821 166 L CB 2.469 44.554 42.059 0.043 0.000 1.383 166 L HN -0.138 nan 8.230 nan 0.000 0.410 167 L N 3.276 124.509 121.223 0.016 0.000 2.409 167 L HA 0.497 4.836 4.340 -0.000 0.000 0.272 167 L C -0.971 175.945 176.870 0.077 0.000 0.980 167 L CA -0.203 54.633 54.840 -0.008 0.000 0.826 167 L CB 1.630 43.704 42.059 0.026 0.000 1.268 167 L HN 0.539 nan 8.230 nan 0.000 0.407 168 K N 4.289 124.719 120.400 0.050 0.000 2.262 168 K HA 0.309 4.629 4.320 -0.000 0.000 0.282 168 K C -1.494 175.138 176.600 0.054 0.000 1.066 168 K CA -0.470 55.856 56.287 0.064 0.000 0.901 168 K CB 0.572 33.108 32.500 0.060 0.000 1.089 168 K HN 0.489 nan 8.250 nan 0.000 0.476 169 F N 4.247 124.160 119.950 -0.062 0.000 2.334 169 F HA 0.207 4.734 4.527 -0.000 0.000 0.367 169 F C 0.098 175.875 175.800 -0.038 0.000 1.115 169 F CA -1.064 56.900 58.000 -0.060 0.000 1.116 169 F CB 0.605 39.687 39.000 0.138 0.000 1.230 169 F HN 0.546 nan 8.300 nan 0.000 0.484 170 D N 2.560 122.702 120.400 -0.430 0.000 2.312 170 D HA 0.412 5.052 4.640 -0.000 0.000 0.248 170 D C 0.478 176.514 176.300 -0.440 0.000 1.086 170 D CA -0.147 53.705 54.000 -0.247 0.000 0.948 170 D CB 1.800 42.480 40.800 -0.199 0.000 1.162 170 D HN 0.693 nan 8.370 nan 0.000 0.446 171 G N 0.907 109.438 108.800 -0.448 0.000 4.547 171 G HA2 0.204 4.164 3.960 -0.000 0.000 0.301 171 G HA3 0.204 4.164 3.960 -0.000 0.000 0.301 171 G C 0.278 174.298 174.900 -1.466 0.000 1.240 171 G CA -0.220 44.291 45.100 -0.981 0.000 0.970 171 G HN 0.504 nan 8.290 nan 0.000 0.574 172 c N -0.203 117.953 118.600 -0.740 0.000 2.705 172 c HA 0.323 4.893 4.570 -0.000 0.000 0.382 172 c C 0.470 174.372 174.090 -0.314 0.000 1.322 172 c CA 0.361 56.419 56.329 -0.452 0.000 2.290 172 c CB -0.594 41.756 42.510 -0.267 0.000 2.650 172 c HN 0.706 nan 8.230 nan 0.000 0.695 173 Y N -0.692 119.525 120.300 -0.139 0.000 3.018 173 Y HA -0.180 4.369 4.550 -0.000 0.000 0.181 173 Y C 0.292 176.079 175.900 -0.188 0.000 1.542 173 Y CA 0.375 58.397 58.100 -0.130 0.000 0.975 173 Y CB -1.674 36.720 38.460 -0.109 0.000 1.379 173 Y HN 0.738 nan 8.280 nan 0.000 0.423 174 C N 1.631 120.880 119.300 -0.084 0.000 2.432 174 C HA 0.395 4.855 4.460 -0.000 0.000 0.334 174 C C 1.394 176.309 174.990 -0.124 0.000 1.155 174 C CA -0.885 58.036 59.018 -0.161 0.000 1.335 174 C CB 0.386 27.999 27.740 -0.213 0.000 1.964 174 C HN 0.634 nan 8.230 nan 0.000 0.444 175 D N 2.118 122.433 120.400 -0.141 0.000 2.095 175 D HA -0.031 4.609 4.640 -0.000 0.000 0.192 175 D C 1.048 177.287 176.300 -0.102 0.000 0.990 175 D CA 1.765 55.706 54.000 -0.098 0.000 0.836 175 D CB -0.083 40.649 40.800 -0.113 0.000 0.979 175 D HN 0.676 nan 8.370 nan 0.000 0.447 176 S N -1.558 114.063 115.700 -0.132 0.000 2.632 176 S HA 0.434 4.904 4.470 -0.000 0.000 0.289 176 S C 0.736 175.236 174.600 -0.167 0.000 1.115 176 S CA -0.871 57.242 58.200 -0.144 0.000 0.889 176 S CB 1.511 64.660 63.200 -0.084 0.000 1.116 176 S HN 0.038 nan 8.310 nan 0.000 0.486 177 L N 1.102 122.208 121.223 -0.194 0.000 2.187 177 L HA -0.119 4.221 4.340 -0.000 0.000 0.213 177 L C 2.514 179.353 176.870 -0.052 0.000 1.100 177 L CA 1.659 56.415 54.840 -0.140 0.000 0.765 177 L CB -0.726 41.261 42.059 -0.119 0.000 0.904 177 L HN 0.804 nan 8.230 nan 0.000 0.437 178 E N -0.082 120.089 120.200 -0.050 0.000 2.077 178 E HA -0.203 4.146 4.350 -0.000 0.000 0.193 178 E C 1.820 178.399 176.600 -0.035 0.000 0.989 178 E CA 1.580 57.967 56.400 -0.023 0.000 0.800 178 E CB -0.306 29.384 29.700 -0.016 0.000 0.746 178 E HN 0.587 nan 8.360 nan 0.000 0.452 179 N N 0.535 119.196 118.700 -0.064 0.000 2.244 179 N HA -0.107 4.633 4.740 -0.000 0.000 0.183 179 N C 1.632 177.087 175.510 -0.092 0.000 1.016 179 N CA 0.352 53.360 53.050 -0.070 0.000 0.866 179 N CB -0.020 38.380 38.487 -0.145 0.000 0.980 179 N HN 0.006 nan 8.380 nan 0.000 0.430 180 L N 1.143 122.302 121.223 -0.107 0.000 1.976 180 L HA -0.089 4.251 4.340 -0.000 0.000 0.209 180 L C 2.148 178.902 176.870 -0.193 0.000 1.071 180 L CA 1.581 56.355 54.840 -0.110 0.000 0.746 180 L CB -0.979 41.065 42.059 -0.025 0.000 0.890 180 L HN 0.167 nan 8.230 nan 0.000 0.432 181 A N -0.594 122.154 122.820 -0.121 0.000 1.859 181 A HA -0.282 4.037 4.320 -0.000 0.000 0.217 181 A C 2.008 179.415 177.584 -0.294 0.000 1.198 181 A CA 2.228 54.166 52.037 -0.165 0.000 0.629 181 A CB -1.168 17.909 19.000 0.128 0.000 0.830 181 A HN 0.551 nan 8.150 nan 0.000 0.446 182 D N -0.531 119.782 120.400 -0.146 0.000 2.144 182 D HA -0.049 4.590 4.640 -0.000 0.000 0.199 182 D C 2.038 178.213 176.300 -0.210 0.000 0.984 182 D CA 1.426 55.351 54.000 -0.125 0.000 0.834 182 D CB -0.743 40.038 40.800 -0.031 0.000 0.955 182 D HN 0.456 nan 8.370 nan 0.000 0.465 183 G N -0.372 108.292 108.800 -0.228 0.000 2.433 183 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.216 183 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.216 183 G C 1.430 176.052 174.900 -0.464 0.000 1.186 183 G CA 0.484 45.354 45.100 -0.384 0.000 0.779 183 G HN 0.219 nan 8.290 nan 0.000 0.543 184 Y N 1.219 121.295 120.300 -0.374 0.000 2.081 184 Y HA -0.138 4.412 4.550 -0.000 0.000 0.280 184 Y C 2.969 178.649 175.900 -0.368 0.000 1.163 184 Y CA 1.940 59.817 58.100 -0.373 0.000 1.135 184 Y CB -0.159 37.681 38.460 -1.033 0.000 0.970 184 Y HN 0.130 nan 8.280 nan 0.000 0.498 185 K N -1.263 118.899 120.400 -0.398 0.000 2.002 185 K HA -0.244 4.076 4.320 -0.000 0.000 0.209 185 K C 2.140 178.648 176.600 -0.154 0.000 1.048 185 K CA 1.521 57.589 56.287 -0.365 0.000 0.930 185 K CB -0.534 31.668 32.500 -0.496 0.000 0.714 185 K HN 0.382 nan 8.250 nan 0.000 0.438 186 H N 0.628 119.498 119.070 -0.332 0.000 2.387 186 H HA -0.147 4.409 4.556 -0.000 0.000 0.299 186 H C 2.109 177.214 175.328 -0.372 0.000 1.099 186 H CA 1.945 57.793 56.048 -0.334 0.000 1.315 186 H CB 0.121 29.601 29.762 -0.470 0.000 1.380 186 H HN 0.081 nan 8.280 nan 0.000 0.513 187 M N -0.058 119.310 119.600 -0.386 0.000 2.117 187 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 187 M C 2.722 178.699 176.300 -0.538 0.000 1.065 187 M CA 1.759 56.778 55.300 -0.469 0.000 1.114 187 M CB -0.667 31.444 32.600 -0.815 0.000 1.361 187 M HN 0.101 nan 8.290 nan 0.000 0.408 188 S N -0.148 115.253 115.700 -0.498 0.000 2.370 188 S HA -0.127 4.343 4.470 -0.000 0.000 0.226 188 S C 1.861 176.308 174.600 -0.255 0.000 1.033 188 S CA 1.602 59.523 58.200 -0.464 0.000 1.011 188 S CB -0.541 62.683 63.200 0.041 0.000 0.852 188 S HN 0.614 nan 8.310 nan 0.000 0.457 189 L N 0.945 122.060 121.223 -0.180 0.000 2.093 189 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 189 L C 2.962 179.725 176.870 -0.179 0.000 1.085 189 L CA 1.154 55.893 54.840 -0.167 0.000 0.755 189 L CB -0.770 41.172 42.059 -0.195 0.000 0.904 189 L HN 0.390 nan 8.230 nan 0.000 0.435 190 A N 0.336 123.034 122.820 -0.202 0.000 1.929 190 A HA -0.080 4.239 4.320 -0.000 0.000 0.216 190 A C 2.305 179.820 177.584 -0.115 0.000 1.176 190 A CA 1.092 53.049 52.037 -0.134 0.000 0.628 190 A CB -0.556 18.402 19.000 -0.071 0.000 0.816 190 A HN 0.327 nan 8.150 nan 0.000 0.444 191 L N -0.045 121.079 121.223 -0.165 0.000 2.046 191 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 191 L C 2.656 179.473 176.870 -0.089 0.000 1.077 191 L CA 1.591 56.352 54.840 -0.132 0.000 0.747 191 L CB -0.639 41.282 42.059 -0.231 0.000 0.896 191 L HN 0.563 nan 8.230 nan 0.000 0.432 192 N N 0.707 119.345 118.700 -0.104 0.000 2.120 192 N HA -0.200 4.540 4.740 -0.000 0.000 0.188 192 N C 1.996 177.473 175.510 -0.055 0.000 1.024 192 N CA 1.405 54.414 53.050 -0.069 0.000 0.852 192 N CB 0.046 38.488 38.487 -0.076 0.000 1.003 192 N HN 0.281 nan 8.380 nan 0.000 0.424 193 R N 0.052 120.512 120.500 -0.066 0.000 2.081 193 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 193 R C 2.347 178.624 176.300 -0.039 0.000 1.131 193 R CA 1.867 57.934 56.100 -0.054 0.000 0.960 193 R CB -0.705 29.556 30.300 -0.065 0.000 0.856 193 R HN 0.495 nan 8.270 nan 0.000 0.436 194 T N -2.547 111.985 114.554 -0.037 0.000 2.684 194 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 194 T C 1.606 176.299 174.700 -0.012 0.000 1.032 194 T CA 1.801 63.888 62.100 -0.022 0.000 1.155 194 T CB -0.453 68.410 68.868 -0.009 0.000 0.857 194 T HN 0.515 nan 8.240 nan 0.000 0.457 195 G N 0.664 109.457 108.800 -0.010 0.000 2.184 195 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.206 195 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.206 195 G C 0.097 175.002 174.900 0.008 0.000 0.995 195 G CA 0.060 45.158 45.100 -0.003 0.000 0.651 195 G HN 0.839 nan 8.290 nan 0.000 0.511 196 R N 0.820 121.329 120.500 0.016 0.000 2.460 196 R HA 0.574 4.914 4.340 -0.000 0.000 0.303 196 R C -0.005 176.320 176.300 0.042 0.000 0.968 196 R CA -0.346 55.774 56.100 0.033 0.000 0.889 196 R CB 0.812 31.142 30.300 0.050 0.000 1.123 196 R HN 0.116 nan 8.270 nan 0.000 0.455 197 S N 4.395 120.127 115.700 0.053 0.000 2.507 197 S HA 0.146 4.615 4.470 -0.000 0.000 0.299 197 S C -0.139 174.521 174.600 0.100 0.000 1.214 197 S CA 0.219 58.463 58.200 0.073 0.000 1.137 197 S CB -0.263 62.987 63.200 0.084 0.000 1.009 197 S HN 0.370 nan 8.310 nan 0.000 0.512 198 I N 3.746 124.369 120.570 0.089 0.000 2.468 198 I HA 0.213 4.383 4.170 -0.000 0.000 0.284 198 I C -0.417 175.759 176.117 0.099 0.000 1.038 198 I CA -0.745 60.615 61.300 0.100 0.000 1.083 198 I CB 1.833 39.874 38.000 0.069 0.000 1.223 198 I HN 0.202 nan 8.210 nan 0.000 0.443 199 V N 6.414 126.385 119.914 0.095 0.000 2.485 199 V HA -0.058 4.062 4.120 -0.000 0.000 0.287 199 V C -0.458 175.694 176.094 0.096 0.000 1.022 199 V CA 0.139 62.468 62.300 0.049 0.000 1.067 199 V CB 0.090 31.869 31.823 -0.074 0.000 0.967 199 V HN 0.434 nan 8.190 nan 0.000 0.479 200 Y N 4.911 125.180 120.300 -0.051 0.000 2.353 200 Y HA 0.525 5.075 4.550 -0.000 0.000 0.340 200 Y C 0.291 176.178 175.900 -0.022 0.000 0.972 200 Y CA -0.703 57.386 58.100 -0.018 0.000 1.157 200 Y CB 1.544 40.009 38.460 0.009 0.000 1.157 200 Y HN 0.581 nan 8.280 nan 0.000 0.495 201 S N 6.412 122.018 115.700 -0.157 0.000 2.530 201 S HA 0.702 5.172 4.470 -0.000 0.000 0.322 201 S C -1.110 173.449 174.600 -0.068 0.000 1.085 201 S CA -0.443 57.703 58.200 -0.090 0.000 1.096 201 S CB -0.389 62.930 63.200 0.199 0.000 0.988 201 S HN 0.734 nan 8.310 nan 0.000 0.466 202 c N 3.484 122.075 118.600 -0.015 0.000 2.470 202 c HA 0.605 5.174 4.570 -0.000 0.000 0.341 202 c C 0.997 175.224 174.090 0.227 0.000 1.190 202 c CA -0.717 55.677 56.329 0.108 0.000 1.904 202 c CB 1.297 43.772 42.510 -0.058 0.000 2.354 202 c HN 0.954 nan 8.230 nan 0.000 0.509 203 E N -0.152 120.219 120.200 0.286 0.000 2.693 203 E HA -0.010 4.340 4.350 -0.000 0.000 0.214 203 E C 0.811 177.594 176.600 0.305 0.000 0.990 203 E CA -0.265 56.348 56.400 0.355 0.000 1.047 203 E CB 0.268 30.262 29.700 0.490 0.000 1.039 203 E HN 0.831 nan 8.360 nan 0.000 0.475 204 W N 3.260 124.225 121.300 -0.559 0.000 2.289 204 W HA -0.196 4.464 4.660 -0.000 0.000 0.331 204 W C -1.191 175.212 176.519 -0.193 0.000 1.283 204 W CA 1.904 58.843 57.345 -0.677 0.000 1.252 204 W CB -1.724 27.180 29.460 -0.928 0.000 1.153 204 W HN 0.184 nan 8.180 nan 0.000 0.467 205 P HA -0.192 nan 4.420 nan 0.000 0.213 205 P C 2.000 179.399 177.300 0.165 0.000 1.170 205 P CA 2.019 65.022 63.100 -0.163 0.000 0.893 205 P CB -0.664 30.918 31.700 -0.196 0.000 0.784 206 L N -0.640 120.775 121.223 0.319 0.000 2.058 206 L HA -0.252 4.088 4.340 -0.000 0.000 0.226 206 L C 2.402 179.386 176.870 0.191 0.000 1.089 206 L CA 2.026 57.034 54.840 0.280 0.000 0.799 206 L CB -1.903 40.193 42.059 0.062 0.000 0.900 206 L HN -0.074 nan 8.230 nan 0.000 0.442 207 Y N -1.553 118.905 120.300 0.262 0.000 2.220 207 Y HA -0.148 4.402 4.550 -0.000 0.000 0.291 207 Y C 2.702 178.764 175.900 0.269 0.000 1.129 207 Y CA 1.653 59.901 58.100 0.246 0.000 1.161 207 Y CB -0.372 38.201 38.460 0.188 0.000 0.997 207 Y HN 0.208 nan 8.280 nan 0.000 0.522 208 M N -1.268 118.542 119.600 0.351 0.000 2.117 208 M HA -0.279 4.201 4.480 -0.000 0.000 0.262 208 M C 1.637 178.111 176.300 0.291 0.000 1.065 208 M CA 1.860 57.280 55.300 0.201 0.000 1.114 208 M CB -0.451 32.160 32.600 0.018 0.000 1.361 208 M HN 0.450 nan 8.290 nan 0.000 0.408 209 W N 0.569 122.000 121.300 0.218 0.000 2.289 209 W HA -0.309 4.351 4.660 -0.000 0.000 0.351 209 W C -0.936 175.735 176.519 0.253 0.000 1.450 209 W CA 1.755 59.228 57.345 0.214 0.000 1.372 209 W CB -1.997 27.579 29.460 0.193 0.000 1.074 209 W HN 0.230 nan 8.180 nan 0.000 0.470 210 P HA -0.010 nan 4.420 nan 0.000 0.245 210 P C 0.668 178.010 177.300 0.070 0.000 1.212 210 P CA 1.330 64.584 63.100 0.256 0.000 0.774 210 P CB -0.220 31.535 31.700 0.092 0.000 0.999 211 F N -0.450 119.618 119.950 0.197 0.000 2.490 211 F HA 0.215 4.742 4.527 -0.000 0.000 0.280 211 F C 1.181 177.050 175.800 0.115 0.000 1.030 211 F CA 0.077 58.157 58.000 0.133 0.000 1.367 211 F CB 0.271 39.335 39.000 0.107 0.000 1.131 211 F HN -0.183 nan 8.300 nan 0.000 0.632 212 Q N -0.268 119.721 119.800 0.314 0.000 2.472 212 Q HA 0.388 4.728 4.340 -0.000 0.000 0.281 212 Q C -1.401 174.590 176.000 -0.016 0.000 0.997 212 Q CA -1.285 54.606 55.803 0.147 0.000 0.828 212 Q CB 1.777 30.564 28.738 0.082 0.000 1.443 212 Q HN -0.194 nan 8.270 nan 0.000 0.390 213 K N 1.741 122.099 120.400 -0.070 0.000 2.527 213 K HA 0.135 4.455 4.320 -0.000 0.000 0.278 213 K C -2.335 173.955 176.600 -0.516 0.000 0.981 213 K CA -0.385 55.659 56.287 -0.404 0.000 1.009 213 K CB -0.077 32.336 32.500 -0.145 0.000 0.895 213 K HN 0.398 nan 8.250 nan 0.000 0.493 214 P HA 0.076 nan 4.420 nan 0.000 0.282 214 P C -0.925 176.007 177.300 -0.613 0.000 1.249 214 P CA -0.549 62.057 63.100 -0.824 0.000 0.806 214 P CB 0.610 31.554 31.700 -1.260 0.000 0.984 215 N N 2.093 120.435 118.700 -0.597 0.000 2.508 215 N HA 0.028 4.768 4.740 -0.000 0.000 0.253 215 N C 0.317 175.496 175.510 -0.552 0.000 1.145 215 N CA 0.176 52.967 53.050 -0.432 0.000 0.973 215 N CB -0.360 37.920 38.487 -0.345 0.000 1.305 215 N HN 0.337 nan 8.380 nan 0.000 0.506 216 Y N 1.417 121.441 120.300 -0.460 0.000 2.293 216 Y HA -0.143 4.407 4.550 -0.000 0.000 0.291 216 Y C 2.373 177.990 175.900 -0.472 0.000 1.137 216 Y CA 1.060 58.836 58.100 -0.541 0.000 1.202 216 Y CB 0.016 38.244 38.460 -0.387 0.000 0.990 216 Y HN 0.386 nan 8.280 nan 0.000 0.537 217 T N -0.178 114.279 114.554 -0.163 0.000 2.635 217 T HA -0.286 4.064 4.350 -0.000 0.000 0.267 217 T C 1.798 176.389 174.700 -0.182 0.000 1.040 217 T CA 1.881 63.894 62.100 -0.145 0.000 1.156 217 T CB -0.267 68.542 68.868 -0.098 0.000 0.863 217 T HN 0.442 nan 8.240 nan 0.000 0.430 218 E N 0.066 120.132 120.200 -0.223 0.000 2.077 218 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 218 E C 2.227 178.712 176.600 -0.192 0.000 0.989 218 E CA 0.983 57.287 56.400 -0.160 0.000 0.800 218 E CB -0.194 29.384 29.700 -0.202 0.000 0.746 218 E HN 0.504 nan 8.360 nan 0.000 0.452 219 I N 0.596 120.826 120.570 -0.567 0.000 2.179 219 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 219 I C 2.826 178.757 176.117 -0.310 0.000 1.088 219 I CA 1.043 61.964 61.300 -0.633 0.000 1.357 219 I CB -0.393 36.952 38.000 -1.092 0.000 1.051 219 I HN 0.100 nan 8.210 nan 0.000 0.409 220 R N 0.829 121.008 120.500 -0.535 0.000 2.174 220 R HA -0.274 4.066 4.340 -0.000 0.000 0.253 220 R C 2.176 178.476 176.300 0.000 0.000 1.165 220 R CA 1.842 57.757 56.100 -0.309 0.000 0.984 220 R CB -0.236 29.939 30.300 -0.209 0.000 0.873 220 R HN 0.518 nan 8.270 nan 0.000 0.456 221 Q N -1.638 118.172 119.800 0.016 0.000 2.364 221 Q HA -0.151 4.188 4.340 -0.000 0.000 0.207 221 Q C 0.578 176.504 176.000 -0.122 0.000 0.970 221 Q CA 1.221 56.991 55.803 -0.054 0.000 0.888 221 Q CB 0.274 28.946 28.738 -0.110 0.000 0.951 221 Q HN 0.512 nan 8.270 nan 0.000 0.469 222 Y N -2.713 117.675 120.300 0.146 0.000 2.432 222 Y HA 0.210 4.759 4.550 -0.000 0.000 0.252 222 Y C 0.239 176.352 175.900 0.355 0.000 1.097 222 Y CA -0.633 57.611 58.100 0.240 0.000 1.250 222 Y CB 1.248 39.906 38.460 0.329 0.000 1.245 222 Y HN -0.052 nan 8.280 nan 0.000 0.522 223 c N 0.084 118.955 118.600 0.452 0.000 2.547 223 c HA 0.228 4.797 4.570 -0.000 0.000 0.313 223 c C 1.142 175.443 174.090 0.352 0.000 1.191 223 c CA -0.896 55.677 56.329 0.407 0.000 1.474 223 c CB 1.140 43.923 42.510 0.454 0.000 2.081 223 c HN 0.479 nan 8.230 nan 0.000 0.476 224 N N 0.055 118.828 118.700 0.122 0.000 2.300 224 N HA 0.005 4.745 4.740 -0.000 0.000 0.179 224 N C -0.321 175.102 175.510 -0.144 0.000 1.016 224 N CA 0.996 54.029 53.050 -0.027 0.000 0.876 224 N CB 0.107 38.517 38.487 -0.130 0.000 0.979 224 N HN 0.893 nan 8.380 nan 0.000 0.432 225 H N -2.777 116.345 119.070 0.086 0.000 3.064 225 H HA 0.435 4.991 4.556 -0.000 0.000 0.352 225 H C -1.887 173.429 175.328 -0.019 0.000 1.260 225 H CA -1.541 54.348 56.048 -0.265 0.000 1.160 225 H CB -0.167 29.518 29.762 -0.128 0.000 1.879 225 H HN 0.111 nan 8.280 nan 0.000 0.544 226 W N 0.614 122.109 121.300 0.325 0.000 2.656 226 W HA 0.699 5.359 4.660 -0.000 0.000 0.327 226 W C -0.671 175.996 176.519 0.247 0.000 1.041 226 W CA -1.255 56.224 57.345 0.222 0.000 1.229 226 W CB 1.137 30.681 29.460 0.140 0.000 1.397 226 W HN 0.306 nan 8.180 nan 0.000 0.479 227 R N 2.881 123.603 120.500 0.370 0.000 2.401 227 R HA 0.106 4.446 4.340 -0.000 0.000 0.299 227 R C 0.315 176.834 176.300 0.364 0.000 1.064 227 R CA 0.004 56.280 56.100 0.293 0.000 1.000 227 R CB 0.774 31.209 30.300 0.225 0.000 0.973 227 R HN 0.681 nan 8.270 nan 0.000 0.438 228 N N 1.142 120.059 118.700 0.361 0.000 2.508 228 N HA 0.017 4.757 4.740 -0.000 0.000 0.186 228 N C -0.098 175.450 175.510 0.063 0.000 1.034 228 N CA 0.703 54.015 53.050 0.437 0.000 0.885 228 N CB 0.126 39.019 38.487 0.677 0.000 1.135 228 N HN 0.281 nan 8.380 nan 0.000 0.435 229 F N 1.493 121.179 119.950 -0.440 0.000 2.557 229 F HA 0.666 5.193 4.527 -0.000 0.000 0.336 229 F C 0.158 175.758 175.800 -0.332 0.000 1.058 229 F CA -2.193 55.387 58.000 -0.700 0.000 0.988 229 F CB 0.629 39.026 39.000 -1.005 0.000 1.275 229 F HN -0.010 nan 8.300 nan 0.000 0.488 230 A N 2.737 125.251 122.820 -0.510 0.000 2.641 230 A HA -0.087 4.232 4.320 -0.000 0.000 0.228 230 A C 0.390 177.748 177.584 -0.377 0.000 1.049 230 A CA 0.313 51.986 52.037 -0.607 0.000 0.779 230 A CB -0.641 17.740 19.000 -1.031 0.000 0.947 230 A HN 0.697 nan 8.150 nan 0.000 0.498 231 D N -0.481 119.790 120.400 -0.215 0.000 2.429 231 D HA 0.034 4.674 4.640 -0.000 0.000 0.233 231 D C 0.165 176.409 176.300 -0.093 0.000 1.202 231 D CA 0.855 54.802 54.000 -0.088 0.000 0.879 231 D CB 0.510 41.315 40.800 0.007 0.000 1.212 231 D HN 0.520 nan 8.370 nan 0.000 0.465 232 I N 0.892 121.470 120.570 0.013 0.000 2.498 232 I HA 0.116 4.286 4.170 -0.000 0.000 0.301 232 I C -0.088 176.047 176.117 0.031 0.000 0.984 232 I CA -0.516 60.797 61.300 0.021 0.000 1.204 232 I CB 1.287 39.334 38.000 0.080 0.000 1.362 232 I HN 0.193 nan 8.210 nan 0.000 0.471 233 D N 3.714 124.118 120.400 0.006 0.000 2.621 233 D HA 0.233 4.873 4.640 -0.000 0.000 0.255 233 D C -0.892 175.417 176.300 0.015 0.000 1.122 233 D CA -0.160 53.845 54.000 0.008 0.000 1.096 233 D CB 1.117 41.912 40.800 -0.007 0.000 1.282 233 D HN 0.406 nan 8.370 nan 0.000 0.619 234 D N 0.104 120.518 120.400 0.024 0.000 3.168 234 D HA 0.169 4.809 4.640 -0.000 0.000 0.255 234 D C -0.931 175.405 176.300 0.059 0.000 1.314 234 D CA -0.163 53.864 54.000 0.045 0.000 0.900 234 D CB -0.376 40.471 40.800 0.079 0.000 1.072 234 D HN 0.169 nan 8.370 nan 0.000 0.487 235 S N -0.335 115.398 115.700 0.056 0.000 2.557 235 S HA 0.145 4.615 4.470 -0.000 0.000 0.291 235 S C 0.957 175.639 174.600 0.137 0.000 1.116 235 S CA -1.030 57.221 58.200 0.085 0.000 0.992 235 S CB 1.246 64.469 63.200 0.037 0.000 1.028 235 S HN 0.393 nan 8.310 nan 0.000 0.484 236 W N 4.201 125.493 121.300 -0.014 0.000 2.331 236 W HA -0.252 4.408 4.660 -0.000 0.000 0.291 236 W C 1.492 178.013 176.519 0.003 0.000 1.214 236 W CA 1.763 59.100 57.345 -0.013 0.000 1.228 236 W CB -0.043 29.410 29.460 -0.011 0.000 1.135 236 W HN 0.931 nan 8.180 nan 0.000 0.537 237 K N 0.889 121.219 120.400 -0.116 0.000 1.971 237 K HA -0.303 4.017 4.320 -0.000 0.000 0.221 237 K C 2.459 178.929 176.600 -0.216 0.000 1.050 237 K CA 2.823 58.978 56.287 -0.220 0.000 0.967 237 K CB -1.021 31.426 32.500 -0.089 0.000 0.733 237 K HN 0.012 nan 8.250 nan 0.000 0.445 238 S N 0.365 116.002 115.700 -0.105 0.000 2.368 238 S HA -0.203 4.267 4.470 -0.000 0.000 0.226 238 S C 2.026 176.592 174.600 -0.057 0.000 1.044 238 S CA 1.657 59.807 58.200 -0.083 0.000 1.062 238 S CB -0.532 62.634 63.200 -0.057 0.000 0.931 238 S HN 0.376 nan 8.310 nan 0.000 0.440 239 I N 1.873 122.416 120.570 -0.046 0.000 2.065 239 I HA -0.264 3.906 4.170 -0.000 0.000 0.236 239 I C 2.554 178.604 176.117 -0.112 0.000 1.028 239 I CA 2.061 63.353 61.300 -0.015 0.000 1.299 239 I CB -1.554 36.471 38.000 0.042 0.000 1.015 239 I HN 0.447 nan 8.210 nan 0.000 0.396 240 K N 0.765 120.883 120.400 -0.471 0.000 2.052 240 K HA -0.266 4.054 4.320 -0.000 0.000 0.215 240 K C 2.210 178.753 176.600 -0.095 0.000 1.053 240 K CA 2.629 58.646 56.287 -0.449 0.000 0.934 240 K CB -0.390 31.706 32.500 -0.673 0.000 0.717 240 K HN 0.524 nan 8.250 nan 0.000 0.450 241 S N 0.938 116.615 115.700 -0.039 0.000 2.370 241 S HA -0.180 4.290 4.470 -0.000 0.000 0.226 241 S C 2.034 176.881 174.600 0.411 0.000 1.033 241 S CA 1.295 59.594 58.200 0.164 0.000 1.011 241 S CB -0.623 62.663 63.200 0.144 0.000 0.852 241 S HN 0.227 nan 8.310 nan 0.000 0.457 242 I N 2.007 122.803 120.570 0.377 0.000 2.076 242 I HA -0.224 3.946 4.170 -0.000 0.000 0.237 242 I C 2.583 178.978 176.117 0.463 0.000 1.059 242 I CA 1.694 63.310 61.300 0.527 0.000 1.317 242 I CB -0.688 37.566 38.000 0.423 0.000 1.037 242 I HN 0.266 nan 8.210 nan 0.000 0.398 243 L N 0.190 121.603 121.223 0.318 0.000 1.997 243 L HA -0.293 4.046 4.340 -0.000 0.000 0.216 243 L C 2.264 179.349 176.870 0.359 0.000 1.074 243 L CA 1.526 56.545 54.840 0.300 0.000 0.763 243 L CB -1.021 41.129 42.059 0.151 0.000 0.890 243 L HN 0.286 nan 8.230 nan 0.000 0.434 244 D N -0.891 119.667 120.400 0.264 0.000 2.133 244 D HA -0.252 4.388 4.640 -0.000 0.000 0.195 244 D C 1.804 178.217 176.300 0.188 0.000 0.997 244 D CA 1.441 55.564 54.000 0.205 0.000 0.840 244 D CB -0.261 40.605 40.800 0.110 0.000 0.947 244 D HN 0.554 nan 8.370 nan 0.000 0.452 245 W N 1.235 122.538 121.300 0.005 0.000 2.476 245 W HA -0.099 4.561 4.660 -0.000 0.000 0.281 245 W C 2.055 178.540 176.519 -0.057 0.000 1.230 245 W CA 1.386 58.621 57.345 -0.183 0.000 1.287 245 W CB -0.209 28.817 29.460 -0.723 0.000 1.108 245 W HN -0.221 nan 8.180 nan 0.000 0.567 246 T N 0.043 114.678 114.554 0.136 0.000 2.668 246 T HA -0.246 4.104 4.350 -0.000 0.000 0.258 246 T C 2.081 176.679 174.700 -0.169 0.000 1.051 246 T CA 2.535 64.566 62.100 -0.115 0.000 1.155 246 T CB -1.010 68.052 68.868 0.324 0.000 0.864 246 T HN 0.283 nan 8.240 nan 0.000 0.413 247 S N 1.377 117.133 115.700 0.093 0.000 2.423 247 S HA -0.188 4.282 4.470 -0.000 0.000 0.238 247 S C 1.847 176.377 174.600 -0.117 0.000 1.028 247 S CA 1.128 59.301 58.200 -0.045 0.000 1.000 247 S CB -0.900 62.298 63.200 -0.002 0.000 0.797 247 S HN 0.408 nan 8.310 nan 0.000 0.487 248 F N 4.124 123.896 119.950 -0.296 0.000 2.134 248 F HA 0.072 4.598 4.527 -0.000 0.000 0.299 248 F C 1.114 176.685 175.800 -0.382 0.000 1.097 248 F CA 1.423 59.228 58.000 -0.326 0.000 1.264 248 F CB -0.211 38.571 39.000 -0.363 0.000 1.001 248 F HN 0.401 nan 8.300 nan 0.000 0.479 249 N N 1.002 119.364 118.700 -0.562 0.000 2.806 249 N HA 0.056 4.796 4.740 -0.000 0.000 0.315 249 N C 0.602 175.850 175.510 -0.437 0.000 1.738 249 N CA 0.020 52.727 53.050 -0.571 0.000 0.993 249 N CB 0.039 38.207 38.487 -0.532 0.000 1.324 249 N HN 0.572 nan 8.380 nan 0.000 0.493 250 Q N 0.317 119.910 119.800 -0.345 0.000 2.163 250 Q HA -0.002 4.338 4.340 -0.000 0.000 0.198 250 Q C 0.904 176.776 176.000 -0.213 0.000 0.954 250 Q CA 0.546 56.209 55.803 -0.235 0.000 0.851 250 Q CB -0.146 28.485 28.738 -0.180 0.000 0.928 250 Q HN 0.259 nan 8.270 nan 0.000 0.459 251 E N 1.488 121.543 120.200 -0.241 0.000 2.132 251 E HA -0.304 4.046 4.350 -0.000 0.000 0.218 251 E C 2.097 178.584 176.600 -0.188 0.000 1.058 251 E CA 1.908 58.183 56.400 -0.208 0.000 0.882 251 E CB -0.357 29.211 29.700 -0.219 0.000 0.774 251 E HN 0.414 nan 8.360 nan 0.000 0.467 252 R N 0.931 121.301 120.500 -0.216 0.000 2.148 252 R HA -0.067 4.273 4.340 -0.000 0.000 0.223 252 R C 2.439 178.548 176.300 -0.318 0.000 1.088 252 R CA 1.281 57.248 56.100 -0.222 0.000 0.985 252 R CB 0.013 30.212 30.300 -0.169 0.000 0.880 252 R HN 0.388 nan 8.270 nan 0.000 0.451 253 I N -2.998 117.394 120.570 -0.296 0.000 4.312 253 I HA 0.091 4.261 4.170 -0.000 0.000 0.324 253 I C 1.763 177.845 176.117 -0.059 0.000 1.298 253 I CA 0.020 61.151 61.300 -0.282 0.000 1.231 253 I CB 0.149 37.988 38.000 -0.269 0.000 1.152 253 I HN -0.109 nan 8.210 nan 0.000 0.421 254 V N -0.234 119.657 119.914 -0.038 0.000 2.407 254 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 254 V C 1.958 178.089 176.094 0.062 0.000 1.055 254 V CA 2.147 64.477 62.300 0.050 0.000 1.049 254 V CB -0.995 30.872 31.823 0.074 0.000 0.662 254 V HN 0.268 nan 8.190 nan 0.000 0.455 255 D N 0.997 121.405 120.400 0.012 0.000 2.123 255 D HA -0.074 4.565 4.640 -0.000 0.000 0.200 255 D C 2.305 178.622 176.300 0.028 0.000 0.976 255 D CA 1.738 55.746 54.000 0.013 0.000 0.831 255 D CB -0.494 40.293 40.800 -0.022 0.000 0.974 255 D HN 0.454 nan 8.370 nan 0.000 0.469 256 V N 1.348 121.282 119.914 0.034 0.000 2.453 256 V HA -0.193 3.927 4.120 -0.000 0.000 0.252 256 V C 1.354 177.528 176.094 0.132 0.000 1.068 256 V CA 1.132 63.477 62.300 0.075 0.000 1.070 256 V CB -1.169 30.718 31.823 0.106 0.000 0.664 256 V HN 0.189 nan 8.190 nan 0.000 0.461 257 A N 0.106 123.017 122.820 0.152 0.000 2.454 257 A HA 0.584 4.904 4.320 -0.000 0.000 0.260 257 A C 0.587 178.147 177.584 -0.040 0.000 1.106 257 A CA 0.786 52.887 52.037 0.107 0.000 0.780 257 A CB -0.276 18.837 19.000 0.189 0.000 1.044 257 A HN 0.825 nan 8.150 nan 0.000 0.498 258 G N 1.923 110.527 108.800 -0.326 0.000 2.356 258 G HA2 0.498 4.458 3.960 -0.000 0.000 0.294 258 G HA3 0.498 4.458 3.960 -0.000 0.000 0.294 258 G C -3.436 171.008 174.900 -0.759 0.000 1.423 258 G CA -0.880 43.992 45.100 -0.381 0.000 0.806 258 G HN 0.428 nan 8.290 nan 0.000 0.527 259 P HA 0.090 nan 4.420 nan 0.000 0.255 259 P C 1.186 178.289 177.300 -0.329 0.000 1.123 259 P CA 2.669 65.633 63.100 -0.226 0.000 0.766 259 P CB 0.151 31.840 31.700 -0.018 0.000 0.705 260 G N 2.327 110.928 108.800 -0.333 0.000 2.213 260 G HA2 -0.090 3.869 3.960 -0.000 0.000 0.236 260 G HA3 -0.090 3.869 3.960 -0.000 0.000 0.236 260 G C 0.328 175.050 174.900 -0.298 0.000 0.991 260 G CA -0.242 44.756 45.100 -0.169 0.000 0.629 260 G HN 0.940 nan 8.290 nan 0.000 0.517 261 G N -0.546 107.824 108.800 -0.717 0.000 2.618 261 G HA2 0.532 4.491 3.960 -0.000 0.000 0.280 261 G HA3 0.532 4.491 3.960 -0.000 0.000 0.280 261 G C -0.745 173.612 174.900 -0.905 0.000 1.458 261 G CA -0.505 44.327 45.100 -0.448 0.000 1.224 261 G HN 0.450 nan 8.290 nan 0.000 0.576 262 W N 1.135 122.078 121.300 -0.595 0.000 2.706 262 W HA 0.479 5.139 4.660 -0.000 0.000 0.346 262 W C -0.000 175.839 176.519 -1.133 0.000 1.071 262 W CA -1.176 55.827 57.345 -0.570 0.000 1.206 262 W CB 1.484 30.775 29.460 -0.280 0.000 1.413 262 W HN 0.229 nan 8.180 nan 0.000 0.542 263 N N 2.326 120.865 118.700 -0.268 0.000 2.442 263 N HA 0.010 4.750 4.740 -0.000 0.000 0.265 263 N C -1.034 174.392 175.510 -0.139 0.000 1.138 263 N CA 0.138 53.074 53.050 -0.191 0.000 0.956 263 N CB 0.762 39.362 38.487 0.189 0.000 1.067 263 N HN 0.373 nan 8.380 nan 0.000 0.474 264 D N 2.732 123.063 120.400 -0.115 0.000 2.373 264 D HA 0.234 4.874 4.640 -0.000 0.000 0.227 264 D C -1.938 174.395 176.300 0.055 0.000 1.091 264 D CA -1.990 51.985 54.000 -0.041 0.000 0.840 264 D CB 1.429 42.234 40.800 0.007 0.000 1.060 264 D HN 0.269 nan 8.370 nan 0.000 0.502 265 P HA 0.176 nan 4.420 nan 0.000 0.261 265 P C -0.388 177.053 177.300 0.234 0.000 1.352 265 P CA -0.194 62.898 63.100 -0.014 0.000 0.891 265 P CB 0.309 31.712 31.700 -0.495 0.000 1.383 266 D N -0.927 119.620 120.400 0.246 0.000 6.629 266 D HA -0.158 4.482 4.640 -0.000 0.000 0.321 266 D C -0.160 176.427 176.300 0.477 0.000 2.556 266 D CA 0.325 54.509 54.000 0.306 0.000 1.570 266 D CB -0.792 40.137 40.800 0.216 0.000 1.139 266 D HN -0.079 nan 8.370 nan 0.000 1.246 267 M N 0.369 120.158 119.600 0.314 0.000 2.250 267 M HA 0.160 4.639 4.480 -0.000 0.000 0.325 267 M C 0.244 176.605 176.300 0.102 0.000 1.084 267 M CA 0.132 55.580 55.300 0.248 0.000 1.161 267 M CB 0.268 32.945 32.600 0.129 0.000 1.481 267 M HN 0.199 nan 8.290 nan 0.000 0.449 268 L N 3.199 124.440 121.223 0.029 0.000 2.433 268 L HA 0.055 4.395 4.340 -0.000 0.000 0.275 268 L C 0.897 177.689 176.870 -0.131 0.000 1.128 268 L CA -0.408 54.323 54.840 -0.182 0.000 0.875 268 L CB 0.273 42.278 42.059 -0.091 0.000 1.171 268 L HN 0.705 nan 8.230 nan 0.000 0.463 269 V N 1.694 121.503 119.914 -0.174 0.000 3.596 269 V HA 0.199 4.318 4.120 -0.000 0.000 0.289 269 V C 0.920 176.945 176.094 -0.115 0.000 1.336 269 V CA -0.195 62.034 62.300 -0.118 0.000 1.137 269 V CB -0.434 31.337 31.823 -0.085 0.000 0.966 269 V HN 0.497 nan 8.190 nan 0.000 0.428 270 I N 2.461 122.956 120.570 -0.126 0.000 2.710 270 I HA 0.490 4.660 4.170 -0.000 0.000 0.286 270 I C 1.548 177.628 176.117 -0.061 0.000 1.181 270 I CA 1.705 62.956 61.300 -0.083 0.000 1.430 270 I CB 0.603 38.567 38.000 -0.060 0.000 1.367 270 I HN 0.449 nan 8.210 nan 0.000 0.577 271 G N 3.754 112.519 108.800 -0.057 0.000 2.307 271 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.210 271 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.210 271 G C 0.570 175.337 174.900 -0.222 0.000 1.005 271 G CA -0.333 44.725 45.100 -0.071 0.000 0.634 271 G HN 0.524 nan 8.290 nan 0.000 0.496 272 N N -0.164 118.364 118.700 -0.286 0.000 2.295 272 N HA 0.510 5.250 4.740 -0.000 0.000 0.273 272 N C 1.205 176.336 175.510 -0.632 0.000 1.318 272 N CA 0.828 53.520 53.050 -0.597 0.000 0.935 272 N CB -0.328 37.979 38.487 -0.300 0.000 1.061 272 N HN 0.179 nan 8.380 nan 0.000 0.462 273 F N -1.051 118.884 119.950 -0.025 0.000 2.637 273 F HA 0.355 4.881 4.527 -0.000 0.000 0.284 273 F C 2.208 178.003 175.800 -0.008 0.000 1.105 273 F CA -0.127 57.861 58.000 -0.020 0.000 1.356 273 F CB -0.456 38.521 39.000 -0.039 0.000 1.096 273 F HN 0.404 nan 8.300 nan 0.000 0.616 274 G N 1.018 109.925 108.800 0.178 0.000 2.623 274 G HA2 0.178 4.138 3.960 -0.000 0.000 0.214 274 G HA3 0.178 4.138 3.960 -0.000 0.000 0.214 274 G C 0.483 175.437 174.900 0.090 0.000 1.138 274 G CA 0.223 45.397 45.100 0.124 0.000 0.794 274 G HN 0.097 nan 8.290 nan 0.000 0.535 275 L N 1.479 122.738 121.223 0.061 0.000 2.334 275 L HA 0.455 4.795 4.340 -0.000 0.000 0.276 275 L C 0.478 177.357 176.870 0.016 0.000 1.014 275 L CA -0.932 53.929 54.840 0.034 0.000 0.815 275 L CB 2.101 44.166 42.059 0.009 0.000 1.268 275 L HN 0.084 nan 8.230 nan 0.000 0.428 276 S N 0.785 116.472 115.700 -0.022 0.000 2.634 276 S HA 0.079 4.549 4.470 -0.000 0.000 0.261 276 S C 0.953 175.583 174.600 0.050 0.000 1.271 276 S CA -0.660 57.547 58.200 0.012 0.000 0.985 276 S CB 0.950 64.125 63.200 -0.042 0.000 0.968 276 S HN 0.902 nan 8.310 nan 0.000 0.568 277 W N 2.234 123.482 121.300 -0.087 0.000 2.292 277 W HA -0.286 4.374 4.660 -0.000 0.000 0.330 277 W C 1.585 178.043 176.519 -0.102 0.000 1.264 277 W CA 2.154 59.452 57.345 -0.078 0.000 1.235 277 W CB -0.857 28.568 29.460 -0.059 0.000 1.164 277 W HN 0.792 nan 8.180 nan 0.000 0.461 278 N N 0.662 119.238 118.700 -0.207 0.000 2.334 278 N HA -0.243 4.497 4.740 -0.000 0.000 0.187 278 N C 1.556 176.813 175.510 -0.421 0.000 1.016 278 N CA 1.895 54.707 53.050 -0.397 0.000 0.879 278 N CB -0.544 37.808 38.487 -0.224 0.000 0.965 278 N HN 0.527 nan 8.380 nan 0.000 0.438 279 Q N 0.969 120.538 119.800 -0.385 0.000 2.096 279 Q HA -0.042 4.298 4.340 -0.000 0.000 0.197 279 Q C 2.014 177.868 176.000 -0.243 0.000 0.964 279 Q CA 0.930 56.496 55.803 -0.395 0.000 0.838 279 Q CB -0.004 28.508 28.738 -0.377 0.000 0.906 279 Q HN 0.421 nan 8.270 nan 0.000 0.444 280 Q N -0.016 119.645 119.800 -0.232 0.000 2.135 280 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 280 Q C 2.333 178.125 176.000 -0.347 0.000 0.981 280 Q CA 1.842 57.505 55.803 -0.234 0.000 0.856 280 Q CB -0.408 28.242 28.738 -0.147 0.000 0.902 280 Q HN 0.452 nan 8.270 nan 0.000 0.425 281 V N -1.672 117.909 119.914 -0.555 0.000 2.261 281 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 281 V C 2.009 177.935 176.094 -0.279 0.000 1.047 281 V CA 2.249 64.251 62.300 -0.496 0.000 1.015 281 V CB -1.323 30.119 31.823 -0.635 0.000 0.642 281 V HN 0.239 nan 8.190 nan 0.000 0.446 282 T N -0.212 114.194 114.554 -0.246 0.000 2.653 282 T HA -0.334 4.016 4.350 -0.000 0.000 0.268 282 T C 1.971 176.624 174.700 -0.079 0.000 1.035 282 T CA 2.592 64.619 62.100 -0.121 0.000 1.154 282 T CB -0.426 68.410 68.868 -0.053 0.000 0.862 282 T HN 0.703 nan 8.240 nan 0.000 0.441 283 Q N -0.518 119.205 119.800 -0.129 0.000 2.084 283 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 283 Q C 2.325 178.221 176.000 -0.173 0.000 0.978 283 Q CA 1.415 57.081 55.803 -0.228 0.000 0.844 283 Q CB -0.156 28.331 28.738 -0.419 0.000 0.898 283 Q HN 0.388 nan 8.270 nan 0.000 0.426 284 M N 0.121 119.633 119.600 -0.147 0.000 2.099 284 M HA -0.096 4.384 4.480 -0.000 0.000 0.262 284 M C 1.918 178.236 176.300 0.030 0.000 1.067 284 M CA 1.880 57.147 55.300 -0.055 0.000 1.124 284 M CB -0.584 31.973 32.600 -0.072 0.000 1.353 284 M HN 0.222 nan 8.290 nan 0.000 0.410 285 A N -0.254 122.555 122.820 -0.018 0.000 1.851 285 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 285 A C 2.048 179.655 177.584 0.039 0.000 1.195 285 A CA 1.917 53.954 52.037 -0.001 0.000 0.622 285 A CB -1.204 17.770 19.000 -0.043 0.000 0.831 285 A HN 0.501 nan 8.150 nan 0.000 0.444 286 L N -1.861 119.384 121.223 0.037 0.000 2.362 286 L HA -0.103 4.237 4.340 -0.000 0.000 0.219 286 L C 2.271 179.254 176.870 0.188 0.000 1.134 286 L CA 0.794 55.636 54.840 0.004 0.000 0.807 286 L CB -0.366 41.575 42.059 -0.198 0.000 0.927 286 L HN 0.589 nan 8.230 nan 0.000 0.447 287 W N -0.775 120.477 121.300 -0.080 0.000 2.418 287 W HA -0.132 4.528 4.660 -0.000 0.000 0.292 287 W C 2.411 178.899 176.519 -0.051 0.000 1.213 287 W CA 0.685 58.003 57.345 -0.046 0.000 1.283 287 W CB 0.023 29.465 29.460 -0.031 0.000 1.119 287 W HN 0.210 nan 8.180 nan 0.000 0.542 288 A N 0.408 123.323 122.820 0.157 0.000 1.873 288 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 288 A C 1.763 179.364 177.584 0.028 0.000 1.186 288 A CA 1.360 53.428 52.037 0.052 0.000 0.616 288 A CB -0.957 18.072 19.000 0.048 0.000 0.823 288 A HN 0.065 nan 8.150 nan 0.000 0.442 289 I N -0.169 120.430 120.570 0.049 0.000 2.118 289 I HA -0.275 3.894 4.170 -0.000 0.000 0.241 289 I C 2.523 178.687 176.117 0.079 0.000 1.070 289 I CA 1.779 63.122 61.300 0.072 0.000 1.327 289 I CB -1.191 36.872 38.000 0.105 0.000 1.034 289 I HN 0.368 nan 8.210 nan 0.000 0.405 290 M N -0.101 119.525 119.600 0.044 0.000 2.549 290 M HA -0.001 4.479 4.480 -0.000 0.000 0.260 290 M C 0.985 177.283 176.300 -0.003 0.000 1.076 290 M CA 0.854 56.172 55.300 0.030 0.000 1.090 290 M CB -0.208 32.333 32.600 -0.097 0.000 1.418 290 M HN 0.357 nan 8.290 nan 0.000 0.486 291 A N 0.858 123.653 122.820 -0.041 0.000 2.667 291 A HA -0.059 4.261 4.320 -0.000 0.000 0.298 291 A C 0.376 177.848 177.584 -0.187 0.000 1.483 291 A CA 0.465 52.445 52.037 -0.095 0.000 0.738 291 A CB -2.142 16.900 19.000 0.070 0.000 1.067 291 A HN 0.631 nan 8.150 nan 0.000 0.451 292 A N 0.732 123.391 122.820 -0.269 0.000 2.316 292 A HA 0.780 5.100 4.320 -0.000 0.000 0.284 292 A C -1.477 175.886 177.584 -0.367 0.000 1.115 292 A CA -1.401 50.418 52.037 -0.363 0.000 0.812 292 A CB 0.302 18.904 19.000 -0.663 0.000 1.064 292 A HN 0.519 nan 8.150 nan 0.000 0.489 293 P HA 0.129 nan 4.420 nan 0.000 0.269 293 P C -0.943 176.202 177.300 -0.258 0.000 1.217 293 P CA 0.331 63.141 63.100 -0.483 0.000 0.783 293 P CB 0.373 31.722 31.700 -0.585 0.000 0.898 294 L N 2.218 123.235 121.223 -0.342 0.000 2.313 294 L HA 0.409 4.749 4.340 -0.000 0.000 0.273 294 L C -0.095 176.696 176.870 -0.132 0.000 1.028 294 L CA -0.278 54.522 54.840 -0.067 0.000 0.871 294 L CB -0.077 42.000 42.059 0.030 0.000 1.242 294 L HN 0.252 nan 8.230 nan 0.000 0.434 295 F N 3.337 123.410 119.950 0.205 0.000 2.293 295 F HA 0.437 4.963 4.527 -0.000 0.000 0.370 295 F C 0.596 176.437 175.800 0.069 0.000 1.090 295 F CA -0.664 57.435 58.000 0.166 0.000 1.133 295 F CB 1.157 40.221 39.000 0.106 0.000 1.360 295 F HN 0.361 nan 8.300 nan 0.000 0.489 296 M N 2.323 122.069 119.600 0.244 0.000 2.228 296 M HA 0.127 4.607 4.480 -0.000 0.000 0.351 296 M C 0.246 176.358 176.300 -0.313 0.000 1.233 296 M CA 0.238 55.527 55.300 -0.019 0.000 1.129 296 M CB 1.059 33.607 32.600 -0.086 0.000 1.604 296 M HN 0.344 nan 8.290 nan 0.000 0.457 297 S N 3.919 119.421 115.700 -0.331 0.000 2.653 297 S HA 0.530 5.000 4.470 -0.000 0.000 0.272 297 S C -1.277 173.183 174.600 -0.233 0.000 1.221 297 S CA -0.778 57.125 58.200 -0.496 0.000 1.149 297 S CB -0.059 62.999 63.200 -0.237 0.000 1.029 297 S HN 0.855 nan 8.310 nan 0.000 0.481 298 N N 1.549 120.200 118.700 -0.082 0.000 3.046 298 N HA 0.264 5.004 4.740 -0.000 0.000 0.243 298 N C -1.991 173.850 175.510 0.551 0.000 1.452 298 N CA -0.842 52.308 53.050 0.166 0.000 0.882 298 N CB 0.451 38.960 38.487 0.037 0.000 1.425 298 N HN 0.192 nan 8.380 nan 0.000 0.517 299 D N 0.626 121.237 120.400 0.353 0.000 2.352 299 D HA 0.141 4.781 4.640 -0.000 0.000 0.245 299 D C 0.584 177.034 176.300 0.251 0.000 1.224 299 D CA -0.342 53.924 54.000 0.444 0.000 0.879 299 D CB 0.569 41.582 40.800 0.356 0.000 1.057 299 D HN 0.465 nan 8.370 nan 0.000 0.491 300 L N 4.223 125.548 121.223 0.170 0.000 2.353 300 L HA -0.060 4.280 4.340 -0.000 0.000 0.220 300 L C 2.234 179.127 176.870 0.038 0.000 1.133 300 L CA 1.246 56.089 54.840 0.004 0.000 0.798 300 L CB -0.291 41.629 42.059 -0.232 0.000 0.922 300 L HN 0.351 nan 8.230 nan 0.000 0.445 301 R N -1.644 118.866 120.500 0.015 0.000 2.275 301 R HA 0.088 4.428 4.340 -0.000 0.000 0.199 301 R C -0.192 175.870 176.300 -0.397 0.000 0.989 301 R CA 0.399 56.395 56.100 -0.174 0.000 1.016 301 R CB 0.107 30.277 30.300 -0.218 0.000 0.918 301 R HN 0.360 nan 8.270 nan 0.000 0.473 302 H N -0.514 118.593 119.070 0.061 0.000 3.021 302 H HA 0.290 4.846 4.556 -0.000 0.000 0.293 302 H C -1.343 174.001 175.328 0.026 0.000 1.244 302 H CA -0.461 55.612 56.048 0.041 0.000 1.596 302 H CB 0.858 30.640 29.762 0.033 0.000 1.720 302 H HN 0.025 nan 8.280 nan 0.000 0.537 303 I N 2.139 122.782 120.570 0.123 0.000 2.692 303 I HA 0.210 4.380 4.170 -0.000 0.000 0.293 303 I C -0.200 175.969 176.117 0.086 0.000 1.200 303 I CA -0.500 60.860 61.300 0.100 0.000 1.036 303 I CB 1.811 39.902 38.000 0.152 0.000 1.258 303 I HN 0.451 nan 8.210 nan 0.000 0.421 304 S N 7.065 122.801 115.700 0.060 0.000 2.562 304 S HA 0.294 4.764 4.470 -0.000 0.000 0.281 304 S C -1.849 172.778 174.600 0.046 0.000 1.333 304 S CA -0.769 57.454 58.200 0.039 0.000 1.052 304 S CB 0.630 63.841 63.200 0.019 0.000 0.884 304 S HN 0.538 nan 8.310 nan 0.000 0.506 305 P HA -0.233 nan 4.420 nan 0.000 0.217 305 P C 1.704 179.007 177.300 0.005 0.000 1.162 305 P CA 1.330 64.428 63.100 -0.003 0.000 0.901 305 P CB -0.093 31.588 31.700 -0.031 0.000 0.793 306 Q N -0.666 119.115 119.800 -0.033 0.000 2.062 306 Q HA -0.278 4.061 4.340 -0.000 0.000 0.216 306 Q C 2.255 178.354 176.000 0.166 0.000 1.052 306 Q CA 2.872 58.654 55.803 -0.034 0.000 0.910 306 Q CB -1.677 27.037 28.738 -0.041 0.000 1.043 306 Q HN 0.329 nan 8.270 nan 0.000 0.425 307 A N -0.150 122.773 122.820 0.172 0.000 1.903 307 A HA -0.101 4.219 4.320 -0.000 0.000 0.213 307 A C 2.056 179.775 177.584 0.225 0.000 1.185 307 A CA 1.456 53.626 52.037 0.221 0.000 0.628 307 A CB -0.405 18.692 19.000 0.161 0.000 0.830 307 A HN 0.350 nan 8.150 nan 0.000 0.446 308 K N 0.117 120.633 120.400 0.193 0.000 2.001 308 K HA -0.195 4.124 4.320 -0.000 0.000 0.214 308 K C 2.195 178.812 176.600 0.028 0.000 1.050 308 K CA 1.570 57.946 56.287 0.149 0.000 0.934 308 K CB -0.431 32.093 32.500 0.040 0.000 0.718 308 K HN 0.326 nan 8.250 nan 0.000 0.443 309 A N 2.045 124.883 122.820 0.031 0.000 1.927 309 A HA -0.216 4.103 4.320 -0.000 0.000 0.220 309 A C 2.222 179.876 177.584 0.116 0.000 1.185 309 A CA 1.673 53.736 52.037 0.044 0.000 0.639 309 A CB -0.756 18.275 19.000 0.052 0.000 0.820 309 A HN 0.477 nan 8.150 nan 0.000 0.451 310 L N -0.689 120.651 121.223 0.195 0.000 1.988 310 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 310 L C 2.532 179.502 176.870 0.167 0.000 1.071 310 L CA 1.862 56.817 54.840 0.192 0.000 0.744 310 L CB -0.533 41.653 42.059 0.211 0.000 0.893 310 L HN 0.446 nan 8.230 nan 0.000 0.433 311 L N -0.447 120.907 121.223 0.219 0.000 2.189 311 L HA -0.263 4.077 4.340 -0.000 0.000 0.214 311 L C 1.780 178.880 176.870 0.383 0.000 1.097 311 L CA 1.279 56.312 54.840 0.323 0.000 0.764 311 L CB -0.309 42.017 42.059 0.445 0.000 0.900 311 L HN 0.427 nan 8.230 nan 0.000 0.436 312 Q N -0.772 119.149 119.800 0.202 0.000 2.201 312 Q HA 0.060 4.400 4.340 -0.000 0.000 0.236 312 Q C -0.253 175.803 176.000 0.094 0.000 0.857 312 Q CA -0.273 55.612 55.803 0.136 0.000 1.025 312 Q CB 0.235 28.898 28.738 -0.125 0.000 1.124 312 Q HN 0.213 nan 8.270 nan 0.000 0.473 313 D N 0.989 121.458 120.400 0.115 0.000 2.346 313 D HA 0.001 4.641 4.640 -0.000 0.000 0.260 313 D C 0.504 176.841 176.300 0.062 0.000 1.252 313 D CA 0.246 54.293 54.000 0.078 0.000 0.895 313 D CB 1.032 41.881 40.800 0.081 0.000 1.097 313 D HN -0.055 nan 8.370 nan 0.000 0.489 314 K N 2.881 123.306 120.400 0.042 0.000 1.971 314 K HA -0.169 4.151 4.320 -0.000 0.000 0.221 314 K C 1.500 178.117 176.600 0.028 0.000 1.050 314 K CA 1.742 58.046 56.287 0.029 0.000 0.967 314 K CB -0.016 32.497 32.500 0.020 0.000 0.733 314 K HN 0.490 nan 8.250 nan 0.000 0.445 315 D N 0.036 120.455 120.400 0.032 0.000 2.204 315 D HA -0.226 4.414 4.640 -0.000 0.000 0.189 315 D C 1.886 178.205 176.300 0.032 0.000 1.006 315 D CA 2.041 56.061 54.000 0.034 0.000 0.855 315 D CB -0.587 40.238 40.800 0.042 0.000 0.946 315 D HN 0.049 nan 8.370 nan 0.000 0.448 316 V N 1.107 121.044 119.914 0.038 0.000 2.515 316 V HA -0.180 3.940 4.120 -0.000 0.000 0.250 316 V C 2.540 178.648 176.094 0.025 0.000 1.058 316 V CA 0.900 63.221 62.300 0.035 0.000 1.064 316 V CB -0.390 31.458 31.823 0.041 0.000 0.675 316 V HN 0.166 nan 8.190 nan 0.000 0.461 317 I N 0.525 121.106 120.570 0.020 0.000 2.133 317 I HA -0.208 3.961 4.170 -0.000 0.000 0.238 317 I C 2.777 178.875 176.117 -0.031 0.000 1.074 317 I CA 1.345 62.635 61.300 -0.016 0.000 1.342 317 I CB -0.751 37.231 38.000 -0.029 0.000 1.053 317 I HN 0.270 nan 8.210 nan 0.000 0.404 318 A N 1.448 124.258 122.820 -0.016 0.000 1.900 318 A HA -0.332 3.988 4.320 -0.000 0.000 0.225 318 A C 2.247 179.822 177.584 -0.015 0.000 1.414 318 A CA 2.654 54.684 52.037 -0.012 0.000 0.702 318 A CB -1.414 17.589 19.000 0.005 0.000 0.845 318 A HN 0.446 nan 8.150 nan 0.000 0.478 319 I N 0.034 120.603 120.570 -0.002 0.000 2.163 319 I HA -0.297 3.873 4.170 -0.000 0.000 0.243 319 I C 2.494 178.598 176.117 -0.021 0.000 1.085 319 I CA 1.680 62.981 61.300 0.000 0.000 1.347 319 I CB -0.508 37.504 38.000 0.020 0.000 1.044 319 I HN 0.600 nan 8.210 nan 0.000 0.408 320 N N 0.731 119.410 118.700 -0.034 0.000 2.289 320 N HA -0.215 4.525 4.740 -0.000 0.000 0.184 320 N C 1.526 176.954 175.510 -0.136 0.000 1.016 320 N CA 1.266 54.267 53.050 -0.080 0.000 0.872 320 N CB 0.090 38.529 38.487 -0.080 0.000 0.973 320 N HN 0.418 nan 8.380 nan 0.000 0.433 321 Q N 0.915 120.653 119.800 -0.104 0.000 2.280 321 Q HA 0.043 4.383 4.340 -0.000 0.000 0.201 321 Q C -0.673 175.294 176.000 -0.055 0.000 0.890 321 Q CA -0.159 55.578 55.803 -0.110 0.000 0.947 321 Q CB -0.199 28.484 28.738 -0.091 0.000 1.081 321 Q HN 0.421 nan 8.270 nan 0.000 0.502 322 D N 1.231 121.610 120.400 -0.035 0.000 2.488 322 D HA -0.040 4.599 4.640 -0.000 0.000 0.238 322 D C -1.485 174.829 176.300 0.022 0.000 1.138 322 D CA -1.031 52.965 54.000 -0.007 0.000 0.873 322 D CB 1.198 41.991 40.800 -0.011 0.000 1.183 322 D HN -0.066 nan 8.370 nan 0.000 0.458 323 P HA -0.085 nan 4.420 nan 0.000 0.222 323 P C 1.584 178.923 177.300 0.065 0.000 1.153 323 P CA 0.083 63.214 63.100 0.051 0.000 0.798 323 P CB 0.088 31.809 31.700 0.035 0.000 0.796 324 L N 0.140 121.386 121.223 0.038 0.000 2.012 324 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 324 L C 1.364 178.277 176.870 0.072 0.000 1.073 324 L CA 2.695 57.552 54.840 0.029 0.000 0.748 324 L CB -1.661 40.387 42.059 -0.018 0.000 0.891 324 L HN 0.343 nan 8.230 nan 0.000 0.431 325 G N 0.789 109.657 108.800 0.113 0.000 2.182 325 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.248 325 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.248 325 G C 0.154 175.173 174.900 0.197 0.000 1.042 325 G CA 0.149 45.395 45.100 0.242 0.000 0.775 325 G HN 0.385 nan 8.290 nan 0.000 0.501 326 K N 0.214 120.674 120.400 0.101 0.000 2.201 326 K HA 0.315 4.634 4.320 -0.000 0.000 0.278 326 K C 0.717 177.385 176.600 0.113 0.000 1.027 326 K CA -0.516 55.821 56.287 0.085 0.000 0.909 326 K CB 1.413 33.923 32.500 0.018 0.000 1.062 326 K HN 0.517 nan 8.250 nan 0.000 0.465 327 Q N 0.678 120.570 119.800 0.153 0.000 2.421 327 Q HA 0.138 4.478 4.340 -0.000 0.000 0.255 327 Q C 0.466 176.546 176.000 0.133 0.000 1.013 327 Q CA -0.053 55.844 55.803 0.158 0.000 0.895 327 Q CB 0.792 29.638 28.738 0.181 0.000 1.271 327 Q HN 0.789 nan 8.270 nan 0.000 0.460 328 G N 0.933 109.790 108.800 0.095 0.000 2.508 328 G HA2 0.407 4.367 3.960 -0.000 0.000 0.278 328 G HA3 0.407 4.367 3.960 -0.000 0.000 0.278 328 G C -1.244 173.677 174.900 0.035 0.000 1.389 328 G CA 0.046 45.121 45.100 -0.042 0.000 1.050 328 G HN 0.712 nan 8.290 nan 0.000 0.522 329 Y N -4.258 116.106 120.300 0.106 0.000 2.818 329 Y HA 0.511 5.061 4.550 -0.000 0.000 0.341 329 Y C -0.680 174.930 175.900 -0.483 0.000 1.283 329 Y CA -1.372 56.638 58.100 -0.151 0.000 1.075 329 Y CB 0.952 39.340 38.460 -0.119 0.000 1.370 329 Y HN 0.507 nan 8.280 nan 0.000 0.448 330 Q N 1.612 121.093 119.800 -0.532 0.000 2.377 330 Q HA 0.309 4.649 4.340 -0.000 0.000 0.249 330 Q C 0.076 175.938 176.000 -0.230 0.000 1.005 330 Q CA -0.392 54.885 55.803 -0.877 0.000 0.912 330 Q CB 1.276 29.405 28.738 -1.014 0.000 1.223 330 Q HN 0.861 nan 8.270 nan 0.000 0.459 331 L N 4.140 125.309 121.223 -0.091 0.000 2.156 331 L HA 0.079 4.418 4.340 -0.000 0.000 0.208 331 L C 0.409 177.260 176.870 -0.030 0.000 1.095 331 L CA 1.510 56.380 54.840 0.051 0.000 0.770 331 L CB 0.155 42.265 42.059 0.085 0.000 0.914 331 L HN 0.537 nan 8.230 nan 0.000 0.439 332 R N -1.111 119.352 120.500 -0.062 0.000 2.712 332 R HA 0.341 4.681 4.340 -0.000 0.000 0.272 332 R C -1.811 174.476 176.300 -0.022 0.000 1.032 332 R CA -0.572 55.514 56.100 -0.022 0.000 0.874 332 R CB 1.133 31.451 30.300 0.029 0.000 1.256 332 R HN 0.097 nan 8.270 nan 0.000 0.468 333 Q N 1.061 120.868 119.800 0.011 0.000 2.647 333 Q HA 0.495 4.835 4.340 -0.000 0.000 0.283 333 Q C -1.626 174.411 176.000 0.061 0.000 0.943 333 Q CA 0.178 56.005 55.803 0.040 0.000 0.813 333 Q CB 2.296 31.055 28.738 0.035 0.000 1.477 333 Q HN 0.900 nan 8.270 nan 0.000 0.393 334 G N 2.034 110.885 108.800 0.084 0.000 2.402 334 G HA2 0.211 4.171 3.960 -0.000 0.000 0.666 334 G HA3 0.211 4.171 3.960 -0.000 0.000 0.666 334 G C -0.669 174.323 174.900 0.154 0.000 1.402 334 G CA 0.249 45.407 45.100 0.096 0.000 0.920 334 G HN 0.999 nan 8.290 nan 0.000 0.651 335 D N 0.243 120.722 120.400 0.132 0.000 2.873 335 D HA -0.175 4.464 4.640 -0.000 0.000 0.228 335 D C 0.965 177.283 176.300 0.031 0.000 1.122 335 D CA 1.729 55.826 54.000 0.162 0.000 0.758 335 D CB -1.112 39.891 40.800 0.338 0.000 1.094 335 D HN 1.139 nan 8.370 nan 0.000 0.434 336 N N -0.969 117.718 118.700 -0.021 0.000 2.701 336 N HA -0.254 4.485 4.740 -0.000 0.000 0.250 336 N C -0.610 174.754 175.510 -0.244 0.000 1.046 336 N CA 1.548 54.531 53.050 -0.113 0.000 0.733 336 N CB -1.177 37.213 38.487 -0.161 0.000 0.973 336 N HN 0.491 nan 8.380 nan 0.000 0.541 337 F N 0.017 119.943 119.950 -0.040 0.000 2.588 337 F HA 0.434 4.961 4.527 -0.000 0.000 0.314 337 F C 0.425 176.147 175.800 -0.130 0.000 1.069 337 F CA -0.753 57.159 58.000 -0.147 0.000 0.931 337 F CB 2.063 40.825 39.000 -0.398 0.000 1.260 337 F HN -0.234 nan 8.300 nan 0.000 0.465 338 E N 1.647 121.935 120.200 0.145 0.000 2.263 338 E HA 0.474 4.823 4.350 -0.000 0.000 0.268 338 E C -1.647 175.075 176.600 0.204 0.000 0.884 338 E CA -0.679 55.840 56.400 0.198 0.000 0.766 338 E CB 2.967 32.897 29.700 0.383 0.000 1.196 338 E HN 0.230 nan 8.360 nan 0.000 0.416 339 V N 3.504 123.499 119.914 0.134 0.000 2.357 339 V HA 0.379 4.498 4.120 -0.000 0.000 0.284 339 V C -0.878 175.297 176.094 0.135 0.000 1.018 339 V CA -0.710 61.688 62.300 0.163 0.000 0.841 339 V CB 0.345 32.211 31.823 0.072 0.000 0.991 339 V HN 0.577 nan 8.190 nan 0.000 0.437 340 W N 2.925 124.234 121.300 0.016 0.000 2.578 340 W HA 0.758 5.418 4.660 -0.000 0.000 0.353 340 W C 0.175 176.666 176.519 -0.048 0.000 1.088 340 W CA -0.752 56.590 57.345 -0.004 0.000 1.235 340 W CB 1.231 30.697 29.460 0.010 0.000 1.362 340 W HN 0.669 nan 8.180 nan 0.000 0.592 341 E N 0.951 121.165 120.200 0.023 0.000 2.363 341 E HA 0.576 4.926 4.350 -0.000 0.000 0.281 341 E C -1.429 175.063 176.600 -0.180 0.000 0.953 341 E CA -1.289 55.093 56.400 -0.029 0.000 0.778 341 E CB 2.420 32.119 29.700 -0.000 0.000 1.220 341 E HN 0.422 nan 8.360 nan 0.000 0.431 342 R N 2.432 122.961 120.500 0.049 0.000 2.561 342 R HA 0.457 4.797 4.340 -0.000 0.000 0.297 342 R C -2.683 173.605 176.300 -0.020 0.000 0.969 342 R CA -2.242 53.850 56.100 -0.012 0.000 0.879 342 R CB 2.074 32.379 30.300 0.009 0.000 1.178 342 R HN 0.455 nan 8.270 nan 0.000 0.445 343 P HA 0.254 nan 4.420 nan 0.000 0.286 343 P C -0.916 176.094 177.300 -0.482 0.000 1.269 343 P CA -0.273 62.230 63.100 -0.994 0.000 0.787 343 P CB 1.166 32.079 31.700 -1.312 0.000 0.920 344 L N 1.575 122.547 121.223 -0.418 0.000 2.319 344 L HA 0.534 4.873 4.340 -0.000 0.000 0.267 344 L C 1.028 177.792 176.870 -0.178 0.000 1.011 344 L CA -1.108 53.618 54.840 -0.190 0.000 0.818 344 L CB 1.359 43.369 42.059 -0.081 0.000 1.316 344 L HN 0.335 nan 8.230 nan 0.000 0.432 345 S N -0.318 115.327 115.700 -0.092 0.000 2.566 345 S HA 0.363 4.833 4.470 -0.000 0.000 0.280 345 S C 1.008 175.587 174.600 -0.034 0.000 1.343 345 S CA 0.126 58.289 58.200 -0.061 0.000 1.036 345 S CB 0.874 64.059 63.200 -0.026 0.000 0.866 345 S HN 1.282 nan 8.310 nan 0.000 0.526 346 G N 0.781 109.571 108.800 -0.015 0.000 2.137 346 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.237 346 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.237 346 G C 0.433 175.357 174.900 0.040 0.000 1.002 346 G CA -0.174 44.936 45.100 0.016 0.000 0.702 346 G HN 1.617 nan 8.290 nan 0.000 0.515 347 L N -3.683 117.558 121.223 0.030 0.000 4.759 347 L HA -0.184 4.156 4.340 -0.000 0.000 0.419 347 L C 1.403 178.379 176.870 0.175 0.000 1.093 347 L CA 0.792 55.695 54.840 0.105 0.000 1.037 347 L CB -2.049 40.090 42.059 0.132 0.000 2.095 347 L HN 1.581 nan 8.230 nan 0.000 0.739 348 A N -1.053 121.815 122.820 0.080 0.000 2.304 348 A HA 0.673 4.993 4.320 -0.000 0.000 0.271 348 A C -0.681 176.941 177.584 0.063 0.000 1.091 348 A CA 0.223 52.335 52.037 0.125 0.000 0.812 348 A CB 0.428 19.468 19.000 0.066 0.000 1.056 348 A HN 0.283 nan 8.150 nan 0.000 0.489 349 W N -1.228 120.101 121.300 0.049 0.000 3.296 349 W HA 0.554 5.214 4.660 -0.000 0.000 0.314 349 W C -0.249 176.284 176.519 0.023 0.000 1.238 349 W CA 0.010 57.375 57.345 0.034 0.000 1.193 349 W CB 1.952 31.434 29.460 0.035 0.000 1.383 349 W HN 0.898 nan 8.180 nan 0.000 0.545 350 A N 1.826 124.805 122.820 0.264 0.000 2.292 350 A HA 0.844 5.164 4.320 -0.000 0.000 0.319 350 A C -1.373 176.307 177.584 0.161 0.000 1.206 350 A CA -0.618 51.517 52.037 0.164 0.000 0.835 350 A CB 0.868 19.930 19.000 0.104 0.000 1.164 350 A HN 0.448 nan 8.150 nan 0.000 0.505 351 V N 1.898 121.878 119.914 0.109 0.000 2.444 351 V HA 0.651 4.771 4.120 -0.000 0.000 0.294 351 V C 0.294 176.440 176.094 0.087 0.000 1.022 351 V CA -0.331 62.024 62.300 0.091 0.000 0.850 351 V CB 1.413 33.262 31.823 0.043 0.000 0.992 351 V HN 1.166 nan 8.190 nan 0.000 0.426 352 A N 7.002 129.897 122.820 0.125 0.000 2.288 352 A HA 0.910 5.229 4.320 -0.000 0.000 0.320 352 A C -0.408 177.261 177.584 0.141 0.000 1.217 352 A CA -0.564 51.533 52.037 0.101 0.000 0.840 352 A CB 0.717 19.758 19.000 0.070 0.000 1.179 352 A HN 0.837 nan 8.150 nan 0.000 0.504 353 M N 3.916 123.574 119.600 0.097 0.000 2.125 353 M HA 0.463 4.943 4.480 -0.000 0.000 0.321 353 M C -0.970 175.386 176.300 0.095 0.000 0.983 353 M CA 0.016 55.375 55.300 0.098 0.000 0.934 353 M CB 1.152 33.797 32.600 0.075 0.000 1.542 353 M HN 0.477 nan 8.290 nan 0.000 0.424 354 I N 2.614 123.256 120.570 0.120 0.000 2.428 354 I HA 0.310 4.479 4.170 -0.000 0.000 0.296 354 I C 0.048 176.269 176.117 0.173 0.000 0.985 354 I CA -0.513 60.858 61.300 0.118 0.000 1.260 354 I CB 1.350 39.421 38.000 0.118 0.000 1.389 354 I HN 0.660 nan 8.210 nan 0.000 0.484 355 N N 4.646 123.415 118.700 0.116 0.000 2.518 355 N HA 0.268 5.008 4.740 -0.000 0.000 0.254 355 N C 0.145 175.640 175.510 -0.025 0.000 0.979 355 N CA -0.562 52.489 53.050 0.001 0.000 0.930 355 N CB 0.960 39.456 38.487 0.016 0.000 1.152 355 N HN 0.358 nan 8.380 nan 0.000 0.505 356 R N 1.707 122.182 120.500 -0.042 0.000 2.317 356 R HA 0.069 4.409 4.340 -0.000 0.000 0.208 356 R C -0.078 176.241 176.300 0.032 0.000 0.914 356 R CA 0.011 56.160 56.100 0.082 0.000 1.060 356 R CB -0.095 30.258 30.300 0.087 0.000 1.015 356 R HN 0.631 nan 8.270 nan 0.000 0.498 357 Q N 2.197 121.944 119.800 -0.088 0.000 2.286 357 Q HA -0.019 4.321 4.340 -0.000 0.000 0.265 357 Q C -0.573 175.416 176.000 -0.018 0.000 1.080 357 Q CA 0.323 56.083 55.803 -0.072 0.000 0.906 357 Q CB 0.528 29.176 28.738 -0.150 0.000 1.227 357 Q HN 0.140 nan 8.270 nan 0.000 0.409 358 E N 5.861 126.078 120.200 0.028 0.000 2.127 358 E HA 0.302 4.652 4.350 -0.000 0.000 0.262 358 E C -0.435 176.174 176.600 0.015 0.000 1.144 358 E CA -0.078 56.343 56.400 0.035 0.000 1.144 358 E CB 0.033 29.791 29.700 0.096 0.000 1.297 358 E HN 0.540 nan 8.360 nan 0.000 0.469 359 I N -1.032 119.537 120.570 -0.003 0.000 2.857 359 I HA 0.331 4.501 4.170 -0.000 0.000 0.304 359 I C 0.155 176.271 176.117 -0.002 0.000 1.643 359 I CA -0.014 61.286 61.300 0.000 0.000 0.942 359 I CB 1.322 39.324 38.000 0.004 0.000 1.368 359 I HN 0.514 nan 8.210 nan 0.000 0.583 360 G N 2.215 111.018 108.800 0.005 0.000 2.574 360 G HA2 0.046 4.006 3.960 -0.000 0.000 0.282 360 G HA3 0.046 4.006 3.960 -0.000 0.000 0.282 360 G C 0.119 175.027 174.900 0.014 0.000 1.257 360 G CA 0.197 45.304 45.100 0.011 0.000 0.956 360 G HN 1.546 nan 8.290 nan 0.000 0.560 361 G N -1.121 107.695 108.800 0.027 0.000 3.175 361 G HA2 0.753 4.713 3.960 -0.000 0.000 0.255 361 G HA3 0.753 4.713 3.960 -0.000 0.000 0.255 361 G C -2.901 172.035 174.900 0.060 0.000 1.352 361 G CA -0.449 44.674 45.100 0.038 0.000 1.037 361 G HN 0.694 nan 8.290 nan 0.000 0.556 362 P HA 0.071 nan 4.420 nan 0.000 0.257 362 P C -0.314 177.106 177.300 0.200 0.000 1.162 362 P CA 0.653 63.841 63.100 0.148 0.000 0.762 362 P CB 0.263 32.058 31.700 0.158 0.000 0.753 363 R N 1.730 122.358 120.500 0.213 0.000 2.474 363 R HA 0.493 4.833 4.340 -0.000 0.000 0.295 363 R C 0.368 176.831 176.300 0.272 0.000 0.980 363 R CA -0.629 55.628 56.100 0.261 0.000 0.934 363 R CB 1.257 31.698 30.300 0.235 0.000 1.101 363 R HN 0.357 nan 8.270 nan 0.000 0.469 364 S N 2.192 117.967 115.700 0.126 0.000 2.537 364 S HA 0.284 4.754 4.470 -0.000 0.000 0.275 364 S C -1.303 173.280 174.600 -0.029 0.000 1.272 364 S CA -0.340 57.757 58.200 -0.172 0.000 1.050 364 S CB 0.486 63.488 63.200 -0.331 0.000 0.961 364 S HN 0.525 nan 8.310 nan 0.000 0.496 365 Y N 3.067 123.159 120.300 -0.348 0.000 2.433 365 Y HA 0.534 5.083 4.550 -0.000 0.000 0.337 365 Y C -0.527 175.143 175.900 -0.383 0.000 1.026 365 Y CA -0.319 57.411 58.100 -0.617 0.000 1.037 365 Y CB 1.834 39.498 38.460 -1.328 0.000 1.245 365 Y HN 0.888 nan 8.280 nan 0.000 0.443 366 T N 5.732 119.496 114.554 -1.317 0.000 2.909 366 T HA 0.864 5.214 4.350 -0.000 0.000 0.299 366 T C -1.007 173.153 174.700 -0.899 0.000 1.073 366 T CA -0.582 61.031 62.100 -0.811 0.000 0.999 366 T CB 1.448 70.065 68.868 -0.419 0.000 1.098 366 T HN 0.847 nan 8.240 nan 0.000 0.477 367 I N -0.921 119.352 120.570 -0.495 0.000 3.195 367 I HA 0.850 5.020 4.170 -0.000 0.000 0.313 367 I C -0.341 175.647 176.117 -0.215 0.000 1.237 367 I CA -2.009 59.099 61.300 -0.321 0.000 0.963 367 I CB 1.707 39.580 38.000 -0.212 0.000 1.278 367 I HN 0.880 nan 8.210 nan 0.000 0.460 368 A N 2.019 124.725 122.820 -0.191 0.000 2.409 368 A HA 0.454 4.774 4.320 -0.000 0.000 0.267 368 A C 1.133 178.600 177.584 -0.196 0.000 1.127 368 A CA 0.005 51.930 52.037 -0.187 0.000 0.795 368 A CB 0.700 19.570 19.000 -0.216 0.000 1.061 368 A HN 1.368 nan 8.150 nan 0.000 0.502 369 V N 1.149 120.958 119.914 -0.176 0.000 2.828 369 V HA -0.164 3.956 4.120 -0.000 0.000 0.260 369 V C 2.053 178.020 176.094 -0.211 0.000 1.101 369 V CA 2.287 64.487 62.300 -0.166 0.000 1.123 369 V CB -1.469 30.299 31.823 -0.092 0.000 0.704 369 V HN 1.068 nan 8.190 nan 0.000 0.493 370 A N 0.538 123.132 122.820 -0.376 0.000 2.032 370 A HA -0.150 4.170 4.320 -0.000 0.000 0.221 370 A C 2.356 179.791 177.584 -0.248 0.000 1.165 370 A CA 2.336 54.050 52.037 -0.539 0.000 0.645 370 A CB -0.755 17.756 19.000 -0.814 0.000 0.807 370 A HN 0.670 nan 8.150 nan 0.000 0.453 371 S N -1.103 114.477 115.700 -0.200 0.000 2.548 371 S HA 0.254 4.724 4.470 -0.000 0.000 0.215 371 S C 0.099 174.610 174.600 -0.149 0.000 0.976 371 S CA -0.270 57.846 58.200 -0.139 0.000 0.908 371 S CB -0.060 63.070 63.200 -0.117 0.000 0.781 371 S HN 0.273 nan 8.310 nan 0.000 0.519 372 L N 1.918 123.028 121.223 -0.188 0.000 2.305 372 L HA 0.484 4.824 4.340 -0.000 0.000 0.281 372 L C 1.209 177.780 176.870 -0.498 0.000 1.085 372 L CA 0.328 55.004 54.840 -0.274 0.000 0.813 372 L CB -0.294 41.627 42.059 -0.231 0.000 1.157 372 L HN 0.337 nan 8.230 nan 0.000 0.436 373 G N 3.289 111.585 108.800 -0.840 0.000 2.314 373 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.292 373 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.292 373 G C 0.911 175.272 174.900 -0.899 0.000 1.059 373 G CA 0.660 44.561 45.100 -1.999 0.000 0.982 373 G HN 0.801 nan 8.290 nan 0.000 0.505 374 K N -2.640 117.537 120.400 -0.371 0.000 3.445 374 K HA -0.287 4.033 4.320 -0.000 0.000 0.316 374 K C 1.762 178.356 176.600 -0.010 0.000 1.278 374 K CA 1.926 58.171 56.287 -0.070 0.000 0.976 374 K CB -1.435 31.125 32.500 0.100 0.000 1.238 374 K HN 2.297 nan 8.250 nan 0.000 0.430 375 G N -1.279 107.492 108.800 -0.048 0.000 2.184 375 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.206 375 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.206 375 G C 0.565 175.573 174.900 0.181 0.000 0.995 375 G CA 0.113 45.297 45.100 0.140 0.000 0.651 375 G HN 0.106 nan 8.290 nan 0.000 0.511 376 V N 1.109 121.081 119.914 0.096 0.000 2.341 376 V HA 0.507 4.627 4.120 -0.000 0.000 0.240 376 V C 2.208 178.400 176.094 0.163 0.000 1.035 376 V CA 1.632 64.030 62.300 0.163 0.000 1.033 376 V CB -0.556 31.440 31.823 0.288 0.000 0.678 376 V HN 1.193 nan 8.190 nan 0.000 0.464 377 A N -1.183 121.709 122.820 0.119 0.000 2.548 377 A HA 0.230 4.550 4.320 -0.000 0.000 0.247 377 A C 1.032 178.691 177.584 0.125 0.000 1.067 377 A CA 0.665 52.790 52.037 0.146 0.000 0.757 377 A CB -0.822 18.235 19.000 0.095 0.000 0.996 377 A HN 0.985 nan 8.150 nan 0.000 0.504 378 c N 0.610 119.325 118.600 0.191 0.000 5.444 378 c HA -0.094 4.476 4.570 -0.000 0.000 0.217 378 c C 0.435 174.763 174.090 0.395 0.000 1.175 378 c CA 0.267 56.752 56.329 0.260 0.000 1.219 378 c CB -2.555 40.078 42.510 0.203 0.000 1.997 378 c HN 1.007 nan 8.230 nan 0.000 0.644 379 N N 1.261 120.081 118.700 0.201 0.000 2.476 379 N HA 0.419 5.159 4.740 -0.000 0.000 0.257 379 N C -1.019 174.456 175.510 -0.057 0.000 0.970 379 N CA -1.790 51.191 53.050 -0.115 0.000 0.938 379 N CB 1.778 40.010 38.487 -0.425 0.000 1.144 379 N HN 0.287 nan 8.380 nan 0.000 0.500 380 P HA 0.222 nan 4.420 nan 0.000 0.245 380 P C -0.680 176.695 177.300 0.124 0.000 1.206 380 P CA 0.337 63.421 63.100 -0.026 0.000 0.781 380 P CB 0.574 32.253 31.700 -0.035 0.000 0.994 381 A N -0.940 121.973 122.820 0.154 0.000 2.549 381 A HA 0.563 4.883 4.320 -0.000 0.000 0.291 381 A C -1.333 176.399 177.584 0.246 0.000 1.034 381 A CA -0.338 51.826 52.037 0.212 0.000 0.655 381 A CB 0.395 19.482 19.000 0.146 0.000 1.299 381 A HN 0.224 nan 8.150 nan 0.000 0.427 382 c N -1.525 117.272 118.600 0.330 0.000 3.090 382 c HA 0.868 5.438 4.570 -0.000 0.000 0.305 382 c C -0.791 173.600 174.090 0.501 0.000 1.292 382 c CA -1.020 55.522 56.329 0.355 0.000 1.482 382 c CB 0.712 43.364 42.510 0.238 0.000 1.897 382 c HN 1.093 nan 8.230 nan 0.000 0.469 383 F N 1.945 122.091 119.950 0.326 0.000 2.405 383 F HA 0.721 5.248 4.527 -0.000 0.000 0.355 383 F C -0.055 175.812 175.800 0.112 0.000 1.121 383 F CA -0.906 57.205 58.000 0.186 0.000 1.112 383 F CB 0.633 39.674 39.000 0.068 0.000 1.126 383 F HN 0.508 nan 8.300 nan 0.000 0.481 384 I N 5.320 125.699 120.570 -0.319 0.000 2.330 384 I HA 0.262 4.432 4.170 -0.000 0.000 0.289 384 I C -0.201 175.772 176.117 -0.241 0.000 1.001 384 I CA -0.512 60.664 61.300 -0.206 0.000 1.193 384 I CB 1.491 39.302 38.000 -0.314 0.000 1.345 384 I HN 0.539 nan 8.210 nan 0.000 0.461 385 T N 3.180 117.719 114.554 -0.025 0.000 2.829 385 T HA 0.346 4.695 4.350 -0.000 0.000 0.280 385 T C -0.565 174.151 174.700 0.027 0.000 0.999 385 T CA -0.718 61.400 62.100 0.030 0.000 0.983 385 T CB 1.872 70.840 68.868 0.167 0.000 0.968 385 T HN 0.621 nan 8.240 nan 0.000 0.446 386 Q N 2.604 122.417 119.800 0.022 0.000 2.288 386 Q HA 0.342 4.682 4.340 -0.000 0.000 0.254 386 Q C -0.305 175.722 176.000 0.045 0.000 0.932 386 Q CA -0.716 55.104 55.803 0.028 0.000 0.902 386 Q CB 0.948 29.703 28.738 0.029 0.000 1.203 386 Q HN 0.731 nan 8.270 nan 0.000 0.415 387 L N 3.617 124.866 121.223 0.043 0.000 2.388 387 L HA 0.281 4.621 4.340 -0.000 0.000 0.209 387 L C -0.403 176.494 176.870 0.045 0.000 1.061 387 L CA 0.597 55.465 54.840 0.047 0.000 0.834 387 L CB 0.387 42.472 42.059 0.044 0.000 1.029 387 L HN 0.514 nan 8.230 nan 0.000 0.473 388 L N -0.587 120.655 121.223 0.031 0.000 2.445 388 L HA 0.439 4.779 4.340 -0.000 0.000 0.262 388 L C -1.808 175.072 176.870 0.017 0.000 0.974 388 L CA -1.298 53.551 54.840 0.015 0.000 0.822 388 L CB 2.017 44.056 42.059 -0.034 0.000 1.339 388 L HN -0.256 nan 8.230 nan 0.000 0.409 389 P HA -0.033 nan 4.420 nan 0.000 0.219 389 P C 0.096 177.490 177.300 0.156 0.000 1.150 389 P CA 0.945 64.083 63.100 0.063 0.000 0.814 389 P CB 0.521 32.288 31.700 0.111 0.000 0.787 390 V N -3.001 116.986 119.914 0.123 0.000 2.735 390 V HA 0.572 4.692 4.120 -0.000 0.000 0.310 390 V C -0.307 175.836 176.094 0.081 0.000 1.061 390 V CA -2.019 60.350 62.300 0.116 0.000 0.913 390 V CB 1.976 33.863 31.823 0.107 0.000 1.005 390 V HN -0.172 nan 8.190 nan 0.000 0.428 391 K N 3.903 124.349 120.400 0.076 0.000 2.378 391 K HA 0.504 4.824 4.320 -0.000 0.000 0.288 391 K C -0.277 176.358 176.600 0.058 0.000 1.057 391 K CA 0.173 56.498 56.287 0.064 0.000 0.971 391 K CB 0.390 32.927 32.500 0.061 0.000 0.975 391 K HN 0.930 nan 8.250 nan 0.000 0.475 392 R N 3.701 124.235 120.500 0.057 0.000 2.508 392 R HA 0.191 4.531 4.340 -0.000 0.000 0.283 392 R C -1.092 175.240 176.300 0.053 0.000 1.120 392 R CA -0.676 55.456 56.100 0.053 0.000 0.958 392 R CB 0.981 31.309 30.300 0.047 0.000 1.215 392 R HN 0.627 nan 8.270 nan 0.000 0.427 393 K N 3.432 123.875 120.400 0.072 0.000 2.436 393 K HA 0.190 4.510 4.320 -0.000 0.000 0.275 393 K C -0.467 176.129 176.600 -0.006 0.000 0.999 393 K CA 0.367 56.707 56.287 0.088 0.000 0.980 393 K CB 0.542 33.159 32.500 0.195 0.000 0.919 393 K HN 0.365 nan 8.250 nan 0.000 0.484 394 L N 1.034 122.175 121.223 -0.137 0.000 2.333 394 L HA 0.417 4.757 4.340 -0.000 0.000 0.263 394 L C 1.058 177.706 176.870 -0.369 0.000 1.014 394 L CA -1.007 53.763 54.840 -0.116 0.000 0.820 394 L CB 1.753 43.826 42.059 0.023 0.000 1.352 394 L HN 0.768 nan 8.230 nan 0.000 0.421 395 G N 0.147 108.785 108.800 -0.270 0.000 2.268 395 G HA2 0.052 4.012 3.960 -0.000 0.000 0.330 395 G HA3 0.052 4.012 3.960 -0.000 0.000 0.330 395 G C -0.355 174.175 174.900 -0.617 0.000 1.413 395 G CA -0.096 44.773 45.100 -0.384 0.000 1.094 395 G HN 0.229 nan 8.290 nan 0.000 0.581 396 F N -1.919 117.954 119.950 -0.128 0.000 2.375 396 F HA 0.535 5.062 4.527 -0.000 0.000 0.313 396 F C -0.285 175.432 175.800 -0.138 0.000 1.176 396 F CA 0.128 58.136 58.000 0.013 0.000 1.142 396 F CB 1.118 40.201 39.000 0.139 0.000 1.275 396 F HN 0.178 nan 8.300 nan 0.000 0.544 397 Y N 0.595 121.047 120.300 0.253 0.000 2.484 397 Y HA 0.225 4.775 4.550 -0.000 0.000 0.348 397 Y C -0.221 175.763 175.900 0.141 0.000 1.103 397 Y CA -1.070 57.102 58.100 0.120 0.000 1.317 397 Y CB 0.550 39.035 38.460 0.042 0.000 1.096 397 Y HN 0.458 nan 8.280 nan 0.000 0.568 398 E N 0.571 120.895 120.200 0.206 0.000 2.598 398 E HA -0.210 4.140 4.350 -0.000 0.000 0.273 398 E C 0.614 177.363 176.600 0.248 0.000 1.029 398 E CA 0.685 57.200 56.400 0.191 0.000 0.985 398 E CB 0.364 30.137 29.700 0.121 0.000 0.988 398 E HN 0.646 nan 8.360 nan 0.000 0.460 399 W N 1.989 123.321 121.300 0.054 0.000 2.290 399 W HA -0.295 4.365 4.660 -0.000 0.000 0.323 399 W C 2.178 178.715 176.519 0.030 0.000 1.260 399 W CA 2.781 60.148 57.345 0.036 0.000 1.266 399 W CB -1.051 28.421 29.460 0.020 0.000 1.149 399 W HN 0.709 nan 8.180 nan 0.000 0.482 400 T N -1.450 113.158 114.554 0.091 0.000 2.977 400 T HA -0.070 4.280 4.350 -0.000 0.000 0.271 400 T C 1.032 175.695 174.700 -0.062 0.000 1.105 400 T CA 0.873 62.951 62.100 -0.037 0.000 1.116 400 T CB -0.924 67.963 68.868 0.032 0.000 0.878 400 T HN 0.077 nan 8.240 nan 0.000 0.509 401 S N 1.525 117.225 115.700 0.000 0.000 2.632 401 S HA 0.559 5.029 4.470 -0.000 0.000 0.271 401 S C -0.102 174.518 174.600 0.032 0.000 1.260 401 S CA -1.214 57.005 58.200 0.031 0.000 1.010 401 S CB 1.117 64.362 63.200 0.076 0.000 0.965 401 S HN 0.479 nan 8.310 nan 0.000 0.534 402 R N 0.290 120.810 120.500 0.033 0.000 2.664 402 R HA 0.603 4.943 4.340 -0.000 0.000 0.286 402 R C -1.021 175.329 176.300 0.084 0.000 0.967 402 R CA -0.944 55.148 56.100 -0.012 0.000 0.933 402 R CB 0.902 31.152 30.300 -0.082 0.000 1.146 402 R HN 0.607 nan 8.270 nan 0.000 0.468 403 L N 1.664 122.869 121.223 -0.031 0.000 2.275 403 L HA 0.468 4.808 4.340 -0.000 0.000 0.288 403 L C -0.288 176.531 176.870 -0.085 0.000 1.046 403 L CA -0.386 54.429 54.840 -0.042 0.000 0.805 403 L CB 0.979 42.881 42.059 -0.263 0.000 1.193 403 L HN 0.531 nan 8.230 nan 0.000 0.426 404 R N 3.249 123.738 120.500 -0.018 0.000 2.536 404 R HA 0.816 5.156 4.340 -0.000 0.000 0.279 404 R C -1.063 175.208 176.300 -0.048 0.000 1.001 404 R CA -0.165 55.895 56.100 -0.068 0.000 1.027 404 R CB 1.417 31.708 30.300 -0.016 0.000 1.096 404 R HN 0.797 nan 8.270 nan 0.000 0.502 405 S N 0.856 116.488 115.700 -0.112 0.000 2.578 405 S HA 0.235 4.705 4.470 -0.000 0.000 0.285 405 S C -2.011 172.523 174.600 -0.110 0.000 1.126 405 S CA -0.766 57.415 58.200 -0.033 0.000 0.878 405 S CB 0.509 63.721 63.200 0.020 0.000 1.091 405 S HN 0.676 nan 8.310 nan 0.000 0.450 406 H N 3.350 122.469 119.070 0.082 0.000 2.661 406 H HA 0.407 4.963 4.556 -0.000 0.000 0.290 406 H C -0.647 174.754 175.328 0.121 0.000 1.082 406 H CA -0.206 55.908 56.048 0.110 0.000 1.234 406 H CB 0.322 30.133 29.762 0.081 0.000 1.387 406 H HN 0.309 nan 8.280 nan 0.000 0.476 407 I N 3.012 123.727 120.570 0.241 0.000 2.385 407 I HA 0.027 4.196 4.170 -0.000 0.000 0.294 407 I C 0.655 176.865 176.117 0.155 0.000 0.988 407 I CA -0.582 60.837 61.300 0.198 0.000 1.265 407 I CB 0.639 38.780 38.000 0.234 0.000 1.388 407 I HN 0.384 nan 8.210 nan 0.000 0.480 408 N N 6.762 125.515 118.700 0.089 0.000 2.518 408 N HA 0.192 4.932 4.740 -0.000 0.000 0.266 408 N C -2.472 173.032 175.510 -0.009 0.000 1.196 408 N CA -1.670 51.405 53.050 0.041 0.000 0.947 408 N CB 0.111 38.611 38.487 0.020 0.000 1.098 408 N HN 0.257 nan 8.380 nan 0.000 0.450 409 P HA -0.054 nan 4.420 nan 0.000 0.258 409 P C 0.425 177.634 177.300 -0.151 0.000 1.187 409 P CA 0.883 63.943 63.100 -0.067 0.000 0.767 409 P CB -0.015 31.654 31.700 -0.051 0.000 0.770 410 T N -0.627 113.831 114.554 -0.161 0.000 6.974 410 T HA -0.175 4.175 4.350 -0.000 0.000 0.287 410 T C 0.684 175.125 174.700 -0.431 0.000 2.146 410 T CA 0.877 62.737 62.100 -0.400 0.000 3.451 410 T CB -2.268 66.037 68.868 -0.938 0.000 1.630 410 T HN 0.596 nan 8.240 nan 0.000 1.173 411 G N -0.317 108.350 108.800 -0.223 0.000 2.543 411 G HA2 0.618 4.577 3.960 -0.000 0.000 0.290 411 G HA3 0.618 4.577 3.960 -0.000 0.000 0.290 411 G C -0.518 174.324 174.900 -0.095 0.000 1.310 411 G CA 0.049 45.038 45.100 -0.185 0.000 1.025 411 G HN 0.761 nan 8.290 nan 0.000 0.502 412 T N -1.010 113.489 114.554 -0.093 0.000 2.933 412 T HA 0.482 4.832 4.350 -0.000 0.000 0.305 412 T C -0.876 173.807 174.700 -0.028 0.000 1.092 412 T CA -0.341 61.734 62.100 -0.041 0.000 1.008 412 T CB 2.046 70.874 68.868 -0.066 0.000 1.102 412 T HN 0.340 nan 8.240 nan 0.000 0.469 413 V N 3.199 123.123 119.914 0.017 0.000 2.459 413 V HA 0.703 4.823 4.120 -0.000 0.000 0.295 413 V C -0.864 175.244 176.094 0.025 0.000 1.029 413 V CA -0.732 61.585 62.300 0.027 0.000 0.874 413 V CB 1.557 33.413 31.823 0.056 0.000 0.985 413 V HN 0.723 nan 8.190 nan 0.000 0.438 414 L N 6.825 128.059 121.223 0.019 0.000 2.441 414 L HA 0.672 5.012 4.340 -0.000 0.000 0.270 414 L C -1.181 175.705 176.870 0.027 0.000 0.973 414 L CA 0.152 55.005 54.840 0.023 0.000 0.842 414 L CB 1.381 43.447 42.059 0.012 0.000 1.239 414 L HN 0.527 nan 8.230 nan 0.000 0.406 415 L N 3.766 125.006 121.223 0.029 0.000 2.319 415 L HA 0.649 4.989 4.340 -0.000 0.000 0.267 415 L C -0.601 176.294 176.870 0.041 0.000 1.011 415 L CA -0.709 54.142 54.840 0.017 0.000 0.818 415 L CB 2.041 44.088 42.059 -0.020 0.000 1.316 415 L HN 0.638 nan 8.230 nan 0.000 0.432 416 Q N 1.805 121.633 119.800 0.046 0.000 2.292 416 Q HA 0.539 4.879 4.340 -0.000 0.000 0.270 416 Q C -1.911 174.146 176.000 0.096 0.000 1.024 416 Q CA -0.754 55.100 55.803 0.085 0.000 0.768 416 Q CB 2.058 30.852 28.738 0.092 0.000 1.250 416 Q HN 0.421 nan 8.270 nan 0.000 0.447 417 L N 3.398 124.700 121.223 0.133 0.000 2.296 417 L HA 0.444 4.784 4.340 -0.000 0.000 0.286 417 L C -0.460 176.536 176.870 0.211 0.000 1.023 417 L CA -0.270 54.655 54.840 0.142 0.000 0.812 417 L CB 1.683 43.806 42.059 0.106 0.000 1.223 417 L HN 0.506 nan 8.230 nan 0.000 0.421 418 E N 2.991 123.332 120.200 0.233 0.000 2.155 418 E HA 0.242 4.591 4.350 -0.000 0.000 0.264 418 E C -0.850 175.905 176.600 0.259 0.000 0.886 418 E CA -0.514 56.031 56.400 0.242 0.000 0.752 418 E CB 1.891 31.744 29.700 0.256 0.000 1.133 418 E HN 0.488 nan 8.360 nan 0.000 0.414 419 N N 2.111 120.949 118.700 0.230 0.000 2.524 419 N HA 0.077 4.817 4.740 -0.000 0.000 0.283 419 N C 0.711 176.330 175.510 0.181 0.000 1.142 419 N CA 0.051 53.229 53.050 0.213 0.000 0.984 419 N CB 1.123 39.732 38.487 0.203 0.000 1.155 419 N HN 0.110 nan 8.380 nan 0.000 0.467 420 T N 2.014 116.667 114.554 0.164 0.000 2.481 420 T HA -0.187 4.163 4.350 -0.000 0.000 0.252 420 T C 0.849 175.612 174.700 0.105 0.000 1.242 420 T CA 1.771 63.951 62.100 0.134 0.000 1.170 420 T CB -0.309 68.596 68.868 0.063 0.000 0.860 420 T HN 0.724 nan 8.240 nan 0.000 0.422 421 M N 0.000 119.640 119.600 0.067 0.000 2.572 421 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 421 M CA 0.000 55.325 55.300 0.042 0.000 0.988 421 M CB 0.000 32.630 32.600 0.050 0.000 1.302 421 M HN 0.000 nan 8.290 nan 0.000 0.411