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 3kie_1_L DATA FIRST_RESID 217 DATA SEQUENCE GADGVGNSSG NWHCDSQWLG DRVITTSTRT WALPTYNNHL YKQISSQSGA DATA SEQUENCE SNDNHYFGYS TPWGYFDFNR FHCHFSPRDW QRLINNNWGF RPKKLSFKLF DATA SEQUENCE NIQVKEVTQN DGTTTIANNL TSTVQVFTDS EYQLPYVLGS AHQGCLPPFP DATA SEQUENCE ADVFMVPQYG YLTLNNGSQA VGRSSFYCLE YFPSQMLRTG NNFQFSYTFE DATA SEQUENCE DVPFHSSYAH SQSLDRLMNP LIDQYLYYLN RTQGTTSGTT NQSRLLFSQA DATA SEQUENCE GPQSMSLQAR NWLPGPCYRQ QRLSKTANDN NNSNFPWTAA SKYHLNGRDS DATA SEQUENCE LVNPGPAMAS HKDDEEKFFP MHGNLIFGKE GTTASNAELD NVMITDEEEI DATA SEQUENCE RTTNPVATEQ YGTVANNLQS SNTAPTTRTV NDQGALPGMV WQDRDVYLQG DATA SEQUENCE PIWAKIPHTD GHFHPSPLMG GFGLKHPPPQ IMIKNTPVPA NPPTTFSPAK DATA SEQUENCE FASFITQYST GQVSVEIEWE LQKENSKRWN PEIQYTSNYN KSVNVDFTVD DATA SEQUENCE TNGVYSEPRP IGTRYLTRNL 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 217 G HA2 0.000 nan 3.960 nan 0.000 0.244 217 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 217 G C 0.000 174.924 174.900 0.040 0.000 0.946 217 G CA 0.000 45.114 45.100 0.023 0.000 0.502 218 A N 1.704 124.544 122.820 0.033 0.000 2.476 218 A HA 0.807 5.127 4.320 -0.001 0.000 0.280 218 A C -1.073 176.530 177.584 0.032 0.000 1.081 218 A CA -0.539 51.520 52.037 0.038 0.000 0.753 218 A CB 1.563 20.582 19.000 0.032 0.000 1.248 218 A HN 0.515 nan 8.150 nan 0.000 0.424 219 D N 0.549 120.972 120.400 0.038 0.000 2.989 219 D HA 0.694 5.334 4.640 -0.001 0.000 0.284 219 D C 0.674 176.995 176.300 0.034 0.000 1.212 219 D CA 0.281 54.300 54.000 0.033 0.000 1.055 219 D CB 1.316 42.136 40.800 0.033 0.000 1.351 219 D HN 0.676 nan 8.370 nan 0.000 0.611 220 G N -0.707 108.112 108.800 0.031 0.000 2.828 220 G HA2 0.456 4.416 3.960 -0.001 0.000 0.244 220 G HA3 0.456 4.416 3.960 -0.001 0.000 0.244 220 G C 0.812 175.730 174.900 0.030 0.000 1.365 220 G CA -0.217 44.900 45.100 0.028 0.000 1.041 220 G HN 0.203 nan 8.290 nan 0.000 0.560 221 V N 0.473 120.401 119.914 0.023 0.000 2.273 221 V HA 0.110 4.229 4.120 -0.001 0.000 0.242 221 V C 2.376 178.482 176.094 0.020 0.000 1.035 221 V CA 1.856 64.169 62.300 0.021 0.000 1.013 221 V CB -0.665 31.166 31.823 0.014 0.000 0.652 221 V HN 0.731 nan 8.190 nan 0.000 0.452 222 G N 1.187 109.997 108.800 0.017 0.000 3.709 222 G HA2 0.234 4.193 3.960 -0.001 0.000 0.272 222 G HA3 0.234 4.193 3.960 -0.001 0.000 0.272 222 G C -0.121 174.791 174.900 0.020 0.000 1.259 222 G CA 0.011 45.120 45.100 0.015 0.000 1.512 222 G HN 0.426 nan 8.290 nan 0.000 0.625 223 N N 0.147 118.863 118.700 0.027 0.000 2.571 223 N HA 0.215 4.955 4.740 -0.001 0.000 0.286 223 N C -0.038 175.500 175.510 0.047 0.000 1.138 223 N CA -0.525 52.544 53.050 0.031 0.000 0.859 223 N CB 1.337 39.840 38.487 0.027 0.000 1.414 223 N HN 0.067 nan 8.380 nan 0.000 0.529 224 S N 1.656 117.388 115.700 0.053 0.000 2.544 224 S HA 0.034 4.504 4.470 -0.001 0.000 0.290 224 S C 0.882 175.535 174.600 0.088 0.000 1.276 224 S CA -0.106 58.145 58.200 0.084 0.000 1.075 224 S CB 0.378 63.631 63.200 0.089 0.000 0.849 224 S HN 0.562 nan 8.310 nan 0.000 0.494 225 S N 1.739 117.519 115.700 0.134 0.000 2.743 225 S HA 0.542 5.011 4.470 -0.001 0.000 0.230 225 S C 0.716 175.364 174.600 0.080 0.000 0.950 225 S CA -0.276 57.998 58.200 0.123 0.000 0.976 225 S CB -0.723 62.576 63.200 0.165 0.000 0.779 225 S HN 1.526 nan 8.310 nan 0.000 0.487 226 G N 0.296 109.102 108.800 0.010 0.000 2.340 226 G HA2 0.342 4.302 3.960 -0.001 0.000 0.298 226 G HA3 0.342 4.302 3.960 -0.001 0.000 0.298 226 G C -1.802 172.965 174.900 -0.221 0.000 1.498 226 G CA -1.090 43.787 45.100 -0.373 0.000 0.847 226 G HN 0.267 nan 8.290 nan 0.000 0.594 227 N N -0.709 117.809 118.700 -0.303 0.000 2.471 227 N HA 0.427 5.167 4.740 -0.001 0.000 0.288 227 N C -0.779 174.729 175.510 -0.002 0.000 1.220 227 N CA -0.851 52.146 53.050 -0.087 0.000 0.893 227 N CB 1.998 40.386 38.487 -0.164 0.000 1.256 227 N HN 0.536 nan 8.380 nan 0.000 0.534 228 W N 2.786 124.023 121.300 -0.105 0.000 2.365 228 W HA 0.141 4.801 4.660 -0.001 0.000 0.371 228 W C -0.954 175.468 176.519 -0.162 0.000 1.006 228 W CA 0.003 57.342 57.345 -0.012 0.000 1.528 228 W CB -0.285 29.175 29.460 -0.000 0.000 1.497 228 W HN 0.458 nan 8.180 nan 0.000 0.367 229 H N 4.864 123.858 119.070 -0.125 0.000 2.787 229 H HA 0.181 4.737 4.556 -0.001 0.000 0.275 229 H C -0.191 175.021 175.328 -0.194 0.000 1.183 229 H CA -0.034 55.951 56.048 -0.106 0.000 1.290 229 H CB 1.090 30.778 29.762 -0.123 0.000 1.438 229 H HN 0.159 nan 8.280 nan 0.000 0.487 230 C N 4.468 123.771 119.300 0.005 0.000 2.547 230 C HA 0.354 4.813 4.460 -0.001 0.000 0.327 230 C C -0.889 174.145 174.990 0.073 0.000 1.076 230 C CA -0.358 58.661 59.018 0.002 0.000 1.390 230 C CB -0.408 27.348 27.740 0.027 0.000 1.918 230 C HN 0.929 nan 8.230 nan 0.000 0.438 231 D N 2.154 122.576 120.400 0.037 0.000 2.710 231 D HA 0.642 5.282 4.640 -0.001 0.000 0.276 231 D C -1.277 175.017 176.300 -0.011 0.000 1.267 231 D CA 0.158 54.180 54.000 0.037 0.000 0.772 231 D CB 2.110 42.945 40.800 0.059 0.000 1.299 231 D HN 0.627 nan 8.370 nan 0.000 0.421 232 S N 0.813 116.503 115.700 -0.015 0.000 2.603 232 S HA 0.725 5.195 4.470 -0.001 0.000 0.274 232 S C -1.461 173.104 174.600 -0.059 0.000 1.168 232 S CA -0.851 57.289 58.200 -0.100 0.000 0.963 232 S CB 1.721 64.807 63.200 -0.190 0.000 1.078 232 S HN 0.462 nan 8.310 nan 0.000 0.477 233 Q N 1.409 121.146 119.800 -0.104 0.000 2.458 233 Q HA 0.808 5.148 4.340 -0.001 0.000 0.282 233 Q C -1.675 174.266 176.000 -0.098 0.000 1.106 233 Q CA -0.592 55.225 55.803 0.023 0.000 0.814 233 Q CB 0.428 29.210 28.738 0.073 0.000 1.425 233 Q HN 0.761 nan 8.270 nan 0.000 0.437 234 W N 0.338 121.658 121.300 0.033 0.000 2.639 234 W HA 0.573 5.233 4.660 -0.001 0.000 0.347 234 W C -0.013 176.527 176.519 0.035 0.000 1.067 234 W CA -0.782 56.587 57.345 0.040 0.000 1.218 234 W CB 1.103 30.582 29.460 0.031 0.000 1.393 234 W HN 0.451 nan 8.180 nan 0.000 0.557 235 L N 2.773 124.153 121.223 0.261 0.000 2.906 235 L HA 0.234 4.574 4.340 -0.001 0.000 0.255 235 L C 1.665 178.630 176.870 0.159 0.000 1.166 235 L CA 0.902 55.840 54.840 0.163 0.000 0.977 235 L CB -0.743 41.380 42.059 0.106 0.000 1.313 235 L HN 1.013 nan 8.230 nan 0.000 0.549 236 G N 1.078 110.008 108.800 0.216 0.000 2.480 236 G HA2 -0.446 3.513 3.960 -0.001 0.000 0.246 236 G HA3 -0.446 3.513 3.960 -0.001 0.000 0.246 236 G C 0.989 175.972 174.900 0.139 0.000 1.073 236 G CA 1.121 46.309 45.100 0.147 0.000 0.643 236 G HN 0.384 nan 8.290 nan 0.000 0.525 237 D N 0.351 120.834 120.400 0.138 0.000 2.388 237 D HA 0.190 4.829 4.640 -0.001 0.000 0.208 237 D C 1.230 177.633 176.300 0.173 0.000 1.035 237 D CA 1.173 55.251 54.000 0.129 0.000 0.875 237 D CB 0.191 41.046 40.800 0.092 0.000 0.984 237 D HN 0.864 nan 8.370 nan 0.000 0.508 238 R N -1.747 118.864 120.500 0.187 0.000 2.741 238 R HA 0.567 4.907 4.340 -0.001 0.000 0.276 238 R C -2.037 174.352 176.300 0.147 0.000 1.028 238 R CA -0.979 55.235 56.100 0.190 0.000 0.865 238 R CB 1.075 31.457 30.300 0.137 0.000 1.268 238 R HN -0.128 nan 8.270 nan 0.000 0.475 239 V N 1.625 121.592 119.914 0.088 0.000 2.686 239 V HA 0.565 4.685 4.120 -0.001 0.000 0.306 239 V C -1.576 174.488 176.094 -0.051 0.000 1.065 239 V CA -0.878 61.323 62.300 -0.165 0.000 0.894 239 V CB 1.956 33.357 31.823 -0.704 0.000 1.004 239 V HN 0.673 nan 8.190 nan 0.000 0.424 240 I N 5.592 126.078 120.570 -0.139 0.000 2.339 240 I HA 0.505 4.675 4.170 -0.001 0.000 0.290 240 I C 0.441 176.477 176.117 -0.134 0.000 0.994 240 I CA 0.071 61.332 61.300 -0.064 0.000 1.191 240 I CB 2.055 40.016 38.000 -0.066 0.000 1.343 240 I HN 0.783 nan 8.210 nan 0.000 0.458 241 T N 1.453 115.971 114.554 -0.061 0.000 2.756 241 T HA 0.597 4.946 4.350 -0.001 0.000 0.290 241 T C -0.069 174.601 174.700 -0.049 0.000 0.985 241 T CA -0.680 61.337 62.100 -0.137 0.000 0.955 241 T CB 0.522 69.240 68.868 -0.250 0.000 0.930 241 T HN 0.474 nan 8.240 nan 0.000 0.451 242 T N 2.896 117.414 114.554 -0.059 0.000 2.794 242 T HA 0.637 4.987 4.350 -0.001 0.000 0.280 242 T C -0.301 174.373 174.700 -0.043 0.000 0.987 242 T CA -0.737 61.336 62.100 -0.045 0.000 0.993 242 T CB 1.451 70.297 68.868 -0.037 0.000 0.939 242 T HN 0.703 nan 8.240 nan 0.000 0.449 243 S N 1.930 117.593 115.700 -0.061 0.000 2.571 243 S HA 0.685 5.155 4.470 -0.001 0.000 0.284 243 S C -0.936 173.544 174.600 -0.199 0.000 1.128 243 S CA -0.537 57.606 58.200 -0.096 0.000 0.970 243 S CB 1.208 64.385 63.200 -0.037 0.000 1.039 243 S HN 0.665 nan 8.310 nan 0.000 0.485 244 T N 5.321 119.656 114.554 -0.366 0.000 2.881 244 T HA 0.665 5.015 4.350 -0.001 0.000 0.290 244 T C -0.958 173.362 174.700 -0.633 0.000 1.000 244 T CA -0.840 60.883 62.100 -0.628 0.000 0.978 244 T CB 1.090 69.238 68.868 -1.199 0.000 0.997 244 T HN 0.505 nan 8.240 nan 0.000 0.443 245 R N 1.232 121.566 120.500 -0.276 0.000 2.836 245 R HA 0.637 4.976 4.340 -0.001 0.000 0.269 245 R C -0.817 175.617 176.300 0.224 0.000 1.010 245 R CA -0.816 55.352 56.100 0.113 0.000 0.930 245 R CB 1.680 32.190 30.300 0.350 0.000 1.218 245 R HN 0.564 nan 8.270 nan 0.000 0.473 246 T N 2.618 117.361 114.554 0.315 0.000 2.799 246 T HA 0.513 4.863 4.350 -0.001 0.000 0.286 246 T C -0.193 174.463 174.700 -0.074 0.000 0.973 246 T CA -0.624 61.517 62.100 0.067 0.000 1.035 246 T CB 0.658 69.559 68.868 0.054 0.000 0.932 246 T HN 0.455 nan 8.240 nan 0.000 0.469 247 W N 0.674 121.815 121.300 -0.265 0.000 2.799 247 W HA 0.836 5.495 4.660 -0.001 0.000 0.349 247 W C -1.302 174.994 176.519 -0.371 0.000 1.100 247 W CA -1.716 55.195 57.345 -0.723 0.000 1.174 247 W CB 1.391 30.498 29.460 -0.588 0.000 1.427 247 W HN 0.730 nan 8.180 nan 0.000 0.547 248 A N 2.739 125.546 122.820 -0.022 0.000 2.414 248 A HA 0.761 5.081 4.320 -0.001 0.000 0.306 248 A C -2.198 175.507 177.584 0.202 0.000 1.054 248 A CA -0.759 51.342 52.037 0.105 0.000 0.724 248 A CB 1.978 20.962 19.000 -0.027 0.000 1.267 248 A HN 0.675 nan 8.150 nan 0.000 0.418 249 L N 3.679 125.073 121.223 0.286 0.000 2.404 249 L HA 0.690 5.030 4.340 -0.001 0.000 0.272 249 L C -2.683 174.239 176.870 0.086 0.000 0.980 249 L CA -1.585 53.352 54.840 0.162 0.000 0.836 249 L CB 2.126 44.276 42.059 0.153 0.000 1.238 249 L HN 0.443 nan 8.230 nan 0.000 0.408 250 P HA 0.375 nan 4.420 nan 0.000 0.293 250 P C -1.050 176.093 177.300 -0.262 0.000 1.304 250 P CA -0.420 62.540 63.100 -0.233 0.000 0.767 250 P CB 0.541 31.932 31.700 -0.516 0.000 1.247 251 T N 0.613 114.999 114.554 -0.279 0.000 2.762 251 T HA 0.320 4.670 4.350 -0.001 0.000 0.303 251 T C -0.361 174.132 174.700 -0.344 0.000 0.977 251 T CA 0.081 62.006 62.100 -0.293 0.000 0.961 251 T CB -0.849 67.804 68.868 -0.359 0.000 0.944 251 T HN 0.126 nan 8.240 nan 0.000 0.481 252 Y N 2.084 122.279 120.300 -0.175 0.000 2.301 252 Y HA 0.188 4.737 4.550 -0.001 0.000 0.328 252 Y C 1.684 177.498 175.900 -0.143 0.000 1.242 252 Y CA -0.214 57.811 58.100 -0.126 0.000 1.323 252 Y CB 0.410 38.825 38.460 -0.075 0.000 1.266 252 Y HN 0.706 nan 8.280 nan 0.000 0.527 253 N N 1.938 120.693 118.700 0.093 0.000 2.650 253 N HA -0.395 4.345 4.740 -0.001 0.000 0.249 253 N C -0.364 175.139 175.510 -0.012 0.000 1.155 253 N CA 0.771 53.846 53.050 0.042 0.000 0.747 253 N CB -0.598 37.919 38.487 0.051 0.000 1.132 253 N HN 0.766 nan 8.380 nan 0.000 0.564 254 N N 0.171 118.809 118.700 -0.104 0.000 2.714 254 N HA -0.208 4.532 4.740 -0.001 0.000 0.253 254 N C -0.560 174.897 175.510 -0.089 0.000 1.024 254 N CA 2.032 55.000 53.050 -0.138 0.000 0.726 254 N CB -1.746 36.751 38.487 0.018 0.000 0.908 254 N HN 0.721 nan 8.380 nan 0.000 0.542 255 H N -2.729 116.296 119.070 -0.076 0.000 2.861 255 H HA -0.202 4.353 4.556 -0.001 0.000 0.289 255 H C -0.160 175.143 175.328 -0.042 0.000 1.176 255 H CA 1.212 57.165 56.048 -0.159 0.000 1.146 255 H CB -1.139 28.387 29.762 -0.392 0.000 1.330 255 H HN 0.352 nan 8.280 nan 0.000 0.379 256 L N 0.132 121.398 121.223 0.072 0.000 2.401 256 L HA 0.452 4.792 4.340 -0.001 0.000 0.266 256 L C -0.243 176.688 176.870 0.101 0.000 0.991 256 L CA -1.029 53.901 54.840 0.149 0.000 0.818 256 L CB 1.408 43.571 42.059 0.174 0.000 1.321 256 L HN 0.021 nan 8.230 nan 0.000 0.413 257 Y N 2.073 122.525 120.300 0.254 0.000 2.336 257 Y HA 0.324 4.873 4.550 -0.001 0.000 0.335 257 Y C 0.030 176.087 175.900 0.262 0.000 1.046 257 Y CA -0.164 58.123 58.100 0.312 0.000 1.198 257 Y CB 1.016 39.730 38.460 0.422 0.000 1.182 257 Y HN 0.283 nan 8.280 nan 0.000 0.502 258 K N 2.872 123.482 120.400 0.350 0.000 2.270 258 K HA 0.224 4.544 4.320 -0.001 0.000 0.255 258 K C -0.819 175.871 176.600 0.150 0.000 0.936 258 K CA -1.059 55.354 56.287 0.210 0.000 0.809 258 K CB 1.966 34.531 32.500 0.109 0.000 1.131 258 K HN 0.597 nan 8.250 nan 0.000 0.427 259 Q N 5.112 124.921 119.800 0.014 0.000 2.307 259 Q HA 0.194 4.534 4.340 -0.001 0.000 0.261 259 Q C -0.525 175.223 176.000 -0.419 0.000 1.051 259 Q CA -0.333 55.227 55.803 -0.404 0.000 0.911 259 Q CB 0.199 28.743 28.738 -0.324 0.000 1.227 259 Q HN 0.581 nan 8.270 nan 0.000 0.418 260 I N 1.029 121.258 120.570 -0.569 0.000 2.707 260 I HA 0.793 4.962 4.170 -0.001 0.000 0.309 260 I C -0.508 175.250 176.117 -0.599 0.000 1.001 260 I CA -0.726 60.344 61.300 -0.383 0.000 1.129 260 I CB 2.079 39.986 38.000 -0.157 0.000 1.308 260 I HN 0.693 nan 8.210 nan 0.000 0.466 261 S N 1.865 117.255 115.700 -0.517 0.000 2.661 261 S HA 0.468 4.938 4.470 -0.001 0.000 0.268 261 S C -0.560 173.497 174.600 -0.905 0.000 1.162 261 S CA -0.593 57.147 58.200 -0.768 0.000 0.817 261 S CB 0.874 63.935 63.200 -0.231 0.000 1.141 261 S HN 0.994 nan 8.310 nan 0.000 0.477 262 S N 1.144 116.362 115.700 -0.804 0.000 2.576 262 S HA 0.356 4.826 4.470 -0.001 0.000 0.276 262 S C 0.088 174.669 174.600 -0.032 0.000 1.339 262 S CA -0.554 57.506 58.200 -0.233 0.000 1.039 262 S CB 0.292 63.558 63.200 0.109 0.000 0.902 262 S HN 0.769 nan 8.310 nan 0.000 0.516 263 Q N 1.454 121.275 119.800 0.035 0.000 2.349 263 Q HA 0.054 4.394 4.340 -0.001 0.000 0.287 263 Q C -0.358 175.668 176.000 0.042 0.000 1.044 263 Q CA 0.378 56.195 55.803 0.024 0.000 0.918 263 Q CB 0.549 29.298 28.738 0.018 0.000 1.242 263 Q HN 0.827 nan 8.270 nan 0.000 0.405 264 S N 2.497 118.216 115.700 0.033 0.000 2.711 264 S HA 0.210 4.680 4.470 -0.001 0.000 0.335 264 S C 0.679 175.309 174.600 0.049 0.000 1.175 264 S CA 0.422 58.649 58.200 0.045 0.000 1.372 264 S CB -0.740 62.472 63.200 0.020 0.000 1.337 264 S HN 0.812 nan 8.310 nan 0.000 0.572 265 G N 2.020 110.875 108.800 0.091 0.000 2.353 265 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.294 265 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.294 265 G C 0.465 175.370 174.900 0.007 0.000 1.077 265 G CA -0.022 45.117 45.100 0.065 0.000 1.098 265 G HN 0.958 nan 8.290 nan 0.000 0.511 266 A N -1.074 121.726 122.820 -0.035 0.000 2.127 266 A HA 0.818 5.137 4.320 -0.001 0.000 0.204 266 A C 1.084 178.601 177.584 -0.112 0.000 1.243 266 A CA 1.602 53.603 52.037 -0.060 0.000 0.887 266 A CB 0.835 19.809 19.000 -0.044 0.000 0.933 266 A HN 1.559 nan 8.150 nan 0.000 0.479 267 S N -1.999 113.576 115.700 -0.208 0.000 2.552 267 S HA 0.333 4.803 4.470 -0.001 0.000 0.272 267 S C 0.025 174.368 174.600 -0.428 0.000 1.150 267 S CA -0.392 57.658 58.200 -0.250 0.000 0.849 267 S CB 1.257 64.327 63.200 -0.218 0.000 1.113 267 S HN 0.406 nan 8.310 nan 0.000 0.458 268 N N 0.665 119.241 118.700 -0.207 0.000 2.571 268 N HA 0.034 4.774 4.740 -0.001 0.000 0.195 268 N C 0.016 175.568 175.510 0.069 0.000 1.040 268 N CA 0.201 53.240 53.050 -0.018 0.000 0.890 268 N CB 0.130 38.668 38.487 0.085 0.000 1.233 268 N HN 0.510 nan 8.380 nan 0.000 0.435 269 D N 0.650 121.058 120.400 0.013 0.000 2.363 269 D HA 0.030 4.670 4.640 -0.001 0.000 0.226 269 D C -0.021 176.292 176.300 0.021 0.000 1.020 269 D CA 0.630 54.669 54.000 0.064 0.000 0.892 269 D CB -0.198 40.658 40.800 0.094 0.000 0.900 269 D HN 0.408 nan 8.370 nan 0.000 0.531 270 N N -0.599 118.071 118.700 -0.049 0.000 2.200 270 N HA 0.006 4.746 4.740 -0.001 0.000 0.224 270 N C 0.039 175.593 175.510 0.074 0.000 1.179 270 N CA -0.354 52.675 53.050 -0.036 0.000 0.877 270 N CB 0.734 39.152 38.487 -0.116 0.000 1.072 270 N HN 0.069 nan 8.380 nan 0.000 0.519 271 H N 1.119 120.273 119.070 0.141 0.000 2.871 271 H HA 0.045 4.601 4.556 -0.001 0.000 0.355 271 H C -0.423 175.080 175.328 0.292 0.000 1.092 271 H CA 0.676 56.832 56.048 0.180 0.000 1.420 271 H CB 0.368 30.186 29.762 0.092 0.000 1.400 271 H HN 0.259 nan 8.280 nan 0.000 0.604 272 Y N 0.546 120.969 120.300 0.206 0.000 2.702 272 Y HA 0.472 5.021 4.550 -0.001 0.000 0.336 272 Y C -2.270 173.746 175.900 0.193 0.000 1.203 272 Y CA -1.376 56.814 58.100 0.151 0.000 1.072 272 Y CB 1.307 39.811 38.460 0.073 0.000 1.327 272 Y HN 0.403 nan 8.280 nan 0.000 0.456 273 F N 1.279 121.198 119.950 -0.052 0.000 2.588 273 F HA 0.833 5.359 4.527 -0.001 0.000 0.314 273 F C -0.346 175.405 175.800 -0.082 0.000 1.134 273 F CA 0.035 57.915 58.000 -0.200 0.000 0.961 273 F CB 1.968 40.874 39.000 -0.155 0.000 1.239 273 F HN 1.087 nan 8.300 nan 0.000 0.448 274 G N 2.933 111.225 108.800 -0.847 0.000 2.588 274 G HA2 0.492 4.451 3.960 -0.001 0.000 0.281 274 G HA3 0.492 4.451 3.960 -0.001 0.000 0.281 274 G C -2.405 171.861 174.900 -1.056 0.000 1.223 274 G CA -0.579 44.136 45.100 -0.640 0.000 0.871 274 G HN 0.516 nan 8.290 nan 0.000 0.492 275 Y N -0.892 119.041 120.300 -0.612 0.000 2.588 275 Y HA 0.728 5.278 4.550 -0.001 0.000 0.343 275 Y C 0.094 175.842 175.900 -0.253 0.000 1.065 275 Y CA -0.797 57.073 58.100 -0.384 0.000 1.038 275 Y CB 2.602 40.946 38.460 -0.194 0.000 1.297 275 Y HN 0.538 nan 8.280 nan 0.000 0.467 276 S N 1.300 117.075 115.700 0.126 0.000 2.456 276 S HA 0.574 5.043 4.470 -0.001 0.000 0.316 276 S C -0.593 174.134 174.600 0.213 0.000 1.089 276 S CA -0.538 57.728 58.200 0.111 0.000 1.101 276 S CB 0.200 63.434 63.200 0.056 0.000 0.995 276 S HN 0.701 nan 8.310 nan 0.000 0.468 277 T N 2.732 117.420 114.554 0.223 0.000 2.902 277 T HA 0.564 4.913 4.350 -0.001 0.000 0.283 277 T C -2.425 172.288 174.700 0.021 0.000 1.009 277 T CA -2.081 60.094 62.100 0.125 0.000 1.051 277 T CB 1.376 70.555 68.868 0.518 0.000 0.999 277 T HN 0.297 nan 8.240 nan 0.000 0.474 278 P HA 0.145 nan 4.420 nan 0.000 0.242 278 P C -0.689 176.571 177.300 -0.067 0.000 1.197 278 P CA 0.043 63.073 63.100 -0.116 0.000 0.765 278 P CB -0.083 31.464 31.700 -0.255 0.000 0.936 279 W N 0.321 121.605 121.300 -0.026 0.000 2.375 279 W HA 0.560 5.220 4.660 -0.001 0.000 0.336 279 W C 1.073 177.571 176.519 -0.035 0.000 1.160 279 W CA -0.045 57.298 57.345 -0.004 0.000 1.266 279 W CB 0.688 30.138 29.460 -0.017 0.000 1.195 279 W HN -0.190 nan 8.180 nan 0.000 0.599 280 G N 0.564 109.460 108.800 0.159 0.000 2.705 280 G HA2 0.738 4.697 3.960 -0.001 0.000 0.299 280 G HA3 0.738 4.697 3.960 -0.001 0.000 0.299 280 G C -1.970 172.929 174.900 -0.001 0.000 1.315 280 G CA -0.710 44.364 45.100 -0.042 0.000 1.045 280 G HN 0.574 nan 8.290 nan 0.000 0.517 281 Y N -2.926 117.226 120.300 -0.247 0.000 2.624 281 Y HA 0.733 5.282 4.550 -0.001 0.000 0.334 281 Y C -1.788 173.919 175.900 -0.322 0.000 1.155 281 Y CA -2.188 55.755 58.100 -0.261 0.000 1.046 281 Y CB 1.063 39.410 38.460 -0.189 0.000 1.316 281 Y HN 0.395 nan 8.280 nan 0.000 0.457 282 F N 1.550 121.552 119.950 0.087 0.000 2.422 282 F HA 0.566 5.093 4.527 -0.001 0.000 0.333 282 F C -0.264 175.637 175.800 0.169 0.000 1.095 282 F CA -0.077 58.013 58.000 0.149 0.000 1.038 282 F CB 1.696 40.862 39.000 0.277 0.000 1.156 282 F HN 0.636 nan 8.300 nan 0.000 0.483 283 D N 1.709 122.302 120.400 0.322 0.000 2.753 283 D HA 0.446 5.085 4.640 -0.001 0.000 0.224 283 D C -0.886 175.496 176.300 0.137 0.000 1.213 283 D CA -0.517 53.524 54.000 0.068 0.000 0.833 283 D CB 1.290 42.142 40.800 0.086 0.000 1.607 283 D HN 0.289 nan 8.370 nan 0.000 0.463 284 F N 0.609 120.659 119.950 0.167 0.000 2.656 284 F HA 0.386 4.913 4.527 -0.001 0.000 0.363 284 F C 0.302 176.152 175.800 0.083 0.000 1.313 284 F CA -0.814 57.248 58.000 0.103 0.000 1.089 284 F CB -0.973 38.180 39.000 0.254 0.000 1.247 284 F HN 0.279 nan 8.300 nan 0.000 0.509 285 N N 1.837 120.369 118.700 -0.279 0.000 2.581 285 N HA 0.134 4.873 4.740 -0.001 0.000 0.230 285 N C -0.383 174.924 175.510 -0.339 0.000 1.310 285 N CA 0.011 52.701 53.050 -0.600 0.000 0.886 285 N CB 0.183 38.122 38.487 -0.914 0.000 1.205 285 N HN 0.370 nan 8.380 nan 0.000 0.488 286 R N -0.412 119.965 120.500 -0.205 0.000 2.628 286 R HA 0.193 4.532 4.340 -0.001 0.000 0.288 286 R C 0.014 176.189 176.300 -0.209 0.000 0.980 286 R CA -0.655 55.273 56.100 -0.288 0.000 0.891 286 R CB 0.941 30.925 30.300 -0.526 0.000 1.188 286 R HN 0.128 nan 8.270 nan 0.000 0.450 287 F N 1.015 120.961 119.950 -0.006 0.000 2.216 287 F HA -0.184 4.343 4.527 -0.001 0.000 0.300 287 F C 2.315 178.155 175.800 0.065 0.000 1.085 287 F CA 1.699 59.787 58.000 0.146 0.000 1.326 287 F CB -0.070 38.837 39.000 -0.154 0.000 1.027 287 F HN 0.721 nan 8.300 nan 0.000 0.497 288 H N -2.795 116.341 119.070 0.110 0.000 2.561 288 H HA -0.039 4.517 4.556 -0.001 0.000 0.278 288 H C 1.752 177.093 175.328 0.022 0.000 1.014 288 H CA 0.574 56.648 56.048 0.042 0.000 1.211 288 H CB -1.413 28.349 29.762 0.000 0.000 1.365 288 H HN 0.247 nan 8.280 nan 0.000 0.594 289 C N 0.668 119.826 119.300 -0.236 0.000 2.432 289 C HA -0.033 4.427 4.460 -0.001 0.000 0.280 289 C C 1.847 176.604 174.990 -0.388 0.000 1.353 289 C CA 1.011 59.816 59.018 -0.356 0.000 1.766 289 C CB -0.612 26.753 27.740 -0.626 0.000 1.924 289 C HN 0.799 nan 8.230 nan 0.000 0.509 290 H N -2.790 116.399 119.070 0.199 0.000 2.521 290 H HA 0.243 4.799 4.556 -0.001 0.000 0.267 290 H C 0.128 175.416 175.328 -0.066 0.000 0.963 290 H CA 0.192 56.288 56.048 0.079 0.000 1.175 290 H CB -0.201 29.661 29.762 0.166 0.000 1.450 290 H HN 0.311 nan 8.280 nan 0.000 0.472 291 F N 2.896 122.983 119.950 0.229 0.000 2.394 291 F HA 0.261 4.788 4.527 -0.001 0.000 0.340 291 F C 1.142 177.017 175.800 0.124 0.000 1.105 291 F CA -0.855 57.244 58.000 0.165 0.000 1.124 291 F CB 1.206 40.361 39.000 0.260 0.000 1.145 291 F HN -0.037 nan 8.300 nan 0.000 0.505 292 S N 2.736 118.601 115.700 0.274 0.000 2.632 292 S HA 0.369 4.839 4.470 -0.001 0.000 0.267 292 S C -2.023 172.681 174.600 0.173 0.000 1.276 292 S CA -1.169 57.145 58.200 0.189 0.000 0.998 292 S CB 1.509 64.800 63.200 0.152 0.000 0.953 292 S HN 0.344 nan 8.310 nan 0.000 0.547 293 P HA -0.173 nan 4.420 nan 0.000 0.216 293 P C 1.713 179.005 177.300 -0.013 0.000 1.157 293 P CA 1.306 64.309 63.100 -0.161 0.000 0.880 293 P CB -0.032 31.487 31.700 -0.301 0.000 0.791 294 R N 0.344 120.885 120.500 0.069 0.000 2.070 294 R HA -0.144 4.196 4.340 -0.001 0.000 0.233 294 R C 1.835 178.225 176.300 0.149 0.000 1.137 294 R CA 2.059 58.217 56.100 0.097 0.000 0.945 294 R CB -1.664 28.703 30.300 0.111 0.000 0.845 294 R HN 0.096 nan 8.270 nan 0.000 0.430 295 D N -0.352 120.208 120.400 0.267 0.000 2.116 295 D HA -0.257 4.382 4.640 -0.001 0.000 0.193 295 D C 1.689 178.233 176.300 0.405 0.000 0.998 295 D CA 1.324 55.606 54.000 0.469 0.000 0.836 295 D CB -0.651 40.475 40.800 0.544 0.000 0.951 295 D HN 0.409 nan 8.370 nan 0.000 0.449 296 W N 1.944 123.294 121.300 0.083 0.000 2.325 296 W HA -0.234 4.426 4.660 -0.001 0.000 0.299 296 W C 2.220 178.611 176.519 -0.214 0.000 1.215 296 W CA 1.418 58.664 57.345 -0.165 0.000 1.244 296 W CB -0.088 29.225 29.460 -0.245 0.000 1.140 296 W HN 0.119 nan 8.180 nan 0.000 0.523 297 Q N 0.340 120.107 119.800 -0.054 0.000 2.020 297 Q HA -0.234 4.106 4.340 -0.001 0.000 0.202 297 Q C 2.433 178.306 176.000 -0.213 0.000 0.982 297 Q CA 2.149 57.855 55.803 -0.161 0.000 0.838 297 Q CB -0.276 28.440 28.738 -0.036 0.000 0.899 297 Q HN 0.219 nan 8.270 nan 0.000 0.423 298 R N 0.361 120.752 120.500 -0.181 0.000 2.094 298 R HA -0.190 4.149 4.340 -0.001 0.000 0.239 298 R C 2.529 178.622 176.300 -0.345 0.000 1.137 298 R CA 1.703 57.605 56.100 -0.330 0.000 0.943 298 R CB -0.799 29.157 30.300 -0.574 0.000 0.850 298 R HN 0.354 nan 8.270 nan 0.000 0.433 299 L N 0.812 121.894 121.223 -0.236 0.000 1.971 299 L HA -0.258 4.082 4.340 -0.001 0.000 0.215 299 L C 2.237 178.888 176.870 -0.366 0.000 1.072 299 L CA 1.535 56.233 54.840 -0.236 0.000 0.758 299 L CB -0.288 41.498 42.059 -0.455 0.000 0.889 299 L HN 0.187 nan 8.230 nan 0.000 0.433 300 I N 0.447 120.688 120.570 -0.549 0.000 2.163 300 I HA -0.303 3.867 4.170 -0.001 0.000 0.243 300 I C 1.949 177.939 176.117 -0.211 0.000 1.085 300 I CA 1.527 62.555 61.300 -0.452 0.000 1.347 300 I CB -1.653 35.987 38.000 -0.600 0.000 1.044 300 I HN 0.448 nan 8.210 nan 0.000 0.408 301 N N 1.034 119.601 118.700 -0.222 0.000 2.521 301 N HA -0.058 4.682 4.740 -0.001 0.000 0.188 301 N C 1.071 176.537 175.510 -0.072 0.000 1.146 301 N CA 0.451 53.431 53.050 -0.117 0.000 0.893 301 N CB -0.077 38.330 38.487 -0.132 0.000 0.975 301 N HN 0.469 nan 8.380 nan 0.000 0.451 302 N N -0.282 118.362 118.700 -0.094 0.000 2.266 302 N HA 0.089 4.829 4.740 -0.001 0.000 0.217 302 N C -0.616 174.857 175.510 -0.063 0.000 1.211 302 N CA 0.014 53.001 53.050 -0.105 0.000 0.881 302 N CB 0.783 39.166 38.487 -0.173 0.000 1.153 302 N HN 0.149 nan 8.380 nan 0.000 0.489 303 N N -0.142 118.578 118.700 0.033 0.000 2.342 303 N HA 0.141 4.880 4.740 -0.001 0.000 0.293 303 N C 0.335 176.060 175.510 0.358 0.000 1.026 303 N CA -0.442 52.686 53.050 0.130 0.000 0.857 303 N CB 1.769 40.358 38.487 0.171 0.000 1.256 303 N HN 0.144 nan 8.380 nan 0.000 0.484 304 W N 1.917 123.238 121.300 0.034 0.000 2.321 304 W HA -0.127 4.533 4.660 -0.001 0.000 0.306 304 W C 1.120 177.729 176.519 0.149 0.000 1.217 304 W CA 0.266 57.630 57.345 0.030 0.000 1.257 304 W CB 0.343 29.733 29.460 -0.117 0.000 1.145 304 W HN 0.591 nan 8.180 nan 0.000 0.509 305 G N -1.859 107.196 108.800 0.425 0.000 2.550 305 G HA2 0.468 4.427 3.960 -0.001 0.000 0.293 305 G HA3 0.468 4.427 3.960 -0.001 0.000 0.293 305 G C -1.821 173.535 174.900 0.760 0.000 1.402 305 G CA -0.657 44.733 45.100 0.484 0.000 0.784 305 G HN 0.087 nan 8.290 nan 0.000 0.482 306 F N -1.315 119.077 119.950 0.737 0.000 2.779 306 F HA 0.945 5.472 4.527 -0.001 0.000 0.316 306 F C -0.760 175.287 175.800 0.412 0.000 1.164 306 F CA -1.367 57.009 58.000 0.627 0.000 0.924 306 F CB 1.648 40.879 39.000 0.384 0.000 1.348 306 F HN 0.928 nan 8.300 nan 0.000 0.467 307 R N -0.356 120.346 120.500 0.336 0.000 2.712 307 R HA 0.689 5.029 4.340 -0.001 0.000 0.272 307 R C -3.635 172.588 176.300 -0.127 0.000 1.032 307 R CA -1.934 54.019 56.100 -0.243 0.000 0.874 307 R CB 1.602 31.421 30.300 -0.802 0.000 1.256 307 R HN 0.374 nan 8.270 nan 0.000 0.468 308 P HA 0.314 nan 4.420 nan 0.000 0.278 308 P C -0.731 176.070 177.300 -0.831 0.000 1.238 308 P CA -0.580 61.758 63.100 -1.270 0.000 0.794 308 P CB 1.154 31.526 31.700 -2.214 0.000 0.955 309 K N 1.003 121.090 120.400 -0.521 0.000 2.537 309 K HA 0.281 4.600 4.320 -0.001 0.000 0.216 309 K C 0.401 177.033 176.600 0.054 0.000 1.349 309 K CA 0.755 56.943 56.287 -0.165 0.000 0.841 309 K CB 0.213 32.619 32.500 -0.158 0.000 1.659 309 K HN 0.349 nan 8.250 nan 0.000 0.435 310 K N 0.296 120.682 120.400 -0.023 0.000 2.331 310 K HA 0.552 4.871 4.320 -0.001 0.000 0.238 310 K C -1.224 175.366 176.600 -0.017 0.000 1.058 310 K CA -0.947 55.301 56.287 -0.064 0.000 0.871 310 K CB 1.713 34.138 32.500 -0.125 0.000 1.292 310 K HN -0.087 nan 8.250 nan 0.000 0.470 311 L N -0.354 120.822 121.223 -0.079 0.000 2.513 311 L HA 0.406 4.746 4.340 -0.001 0.000 0.261 311 L C -1.790 175.036 176.870 -0.073 0.000 0.945 311 L CA 0.007 54.829 54.840 -0.030 0.000 0.848 311 L CB 2.481 44.568 42.059 0.046 0.000 1.334 311 L HN 0.513 nan 8.230 nan 0.000 0.407 312 S N 4.372 120.049 115.700 -0.037 0.000 2.779 312 S HA 0.572 5.042 4.470 -0.001 0.000 0.293 312 S C -1.284 173.352 174.600 0.060 0.000 1.150 312 S CA -0.259 57.919 58.200 -0.036 0.000 1.057 312 S CB 0.735 63.875 63.200 -0.100 0.000 1.021 312 S HN 0.472 nan 8.310 nan 0.000 0.485 313 F N 3.667 123.629 119.950 0.020 0.000 2.436 313 F HA 0.660 5.187 4.527 -0.001 0.000 0.340 313 F C -0.138 175.723 175.800 0.102 0.000 1.113 313 F CA -0.404 57.654 58.000 0.097 0.000 1.022 313 F CB 0.818 39.993 39.000 0.291 0.000 1.128 313 F HN 0.385 nan 8.300 nan 0.000 0.466 314 K N 7.231 127.358 120.400 -0.454 0.000 2.513 314 K HA 0.557 4.876 4.320 -0.001 0.000 0.251 314 K C -2.114 174.424 176.600 -0.103 0.000 0.939 314 K CA -0.619 55.593 56.287 -0.126 0.000 0.793 314 K CB 1.498 33.977 32.500 -0.035 0.000 1.241 314 K HN 0.763 nan 8.250 nan 0.000 0.431 315 L N 6.054 127.385 121.223 0.181 0.000 2.341 315 L HA 0.682 5.021 4.340 -0.001 0.000 0.278 315 L C -0.760 176.372 176.870 0.438 0.000 1.005 315 L CA -0.825 54.131 54.840 0.193 0.000 0.818 315 L CB 0.940 43.101 42.059 0.170 0.000 1.259 315 L HN 0.706 nan 8.230 nan 0.000 0.418 316 F N -0.514 119.548 119.950 0.185 0.000 2.985 316 F HA 0.398 4.925 4.527 -0.001 0.000 0.322 316 F C 0.058 175.944 175.800 0.142 0.000 1.187 316 F CA -1.441 56.648 58.000 0.148 0.000 0.910 316 F CB 1.083 40.135 39.000 0.088 0.000 1.411 316 F HN 0.459 nan 8.300 nan 0.000 0.492 317 N N 0.345 119.213 118.700 0.279 0.000 2.716 317 N HA -0.210 4.529 4.740 -0.001 0.000 0.250 317 N C -0.967 174.542 175.510 -0.002 0.000 1.033 317 N CA 0.566 53.688 53.050 0.120 0.000 0.727 317 N CB -1.141 37.408 38.487 0.104 0.000 0.950 317 N HN 0.470 nan 8.380 nan 0.000 0.541 318 I N 1.004 121.616 120.570 0.069 0.000 2.588 318 I HA 0.013 4.182 4.170 -0.001 0.000 0.283 318 I C 0.519 176.634 176.117 -0.004 0.000 1.119 318 I CA 0.484 61.819 61.300 0.060 0.000 1.419 318 I CB 0.669 38.782 38.000 0.189 0.000 1.394 318 I HN 0.144 nan 8.210 nan 0.000 0.562 319 Q N 5.438 125.194 119.800 -0.073 0.000 2.305 319 Q HA 0.511 4.851 4.340 -0.001 0.000 0.271 319 Q C -1.375 174.549 176.000 -0.127 0.000 1.046 319 Q CA -0.770 54.976 55.803 -0.094 0.000 0.798 319 Q CB 3.129 31.790 28.738 -0.129 0.000 1.286 319 Q HN 0.384 nan 8.270 nan 0.000 0.435 320 V N 3.366 123.209 119.914 -0.118 0.000 2.311 320 V HA 0.293 4.412 4.120 -0.001 0.000 0.275 320 V C -0.392 175.552 176.094 -0.251 0.000 1.022 320 V CA -0.707 61.492 62.300 -0.168 0.000 0.830 320 V CB 0.893 32.667 31.823 -0.082 0.000 1.012 320 V HN 0.545 nan 8.190 nan 0.000 0.452 321 K N 4.269 124.371 120.400 -0.497 0.000 2.183 321 K HA 0.496 4.816 4.320 -0.001 0.000 0.274 321 K C -0.118 176.233 176.600 -0.415 0.000 1.009 321 K CA -0.492 55.489 56.287 -0.511 0.000 0.888 321 K CB 2.199 34.258 32.500 -0.736 0.000 1.078 321 K HN 0.861 nan 8.250 nan 0.000 0.459 322 E N 0.520 120.632 120.200 -0.147 0.000 2.166 322 E HA 0.421 4.771 4.350 -0.001 0.000 0.275 322 E C -0.754 175.878 176.600 0.053 0.000 0.941 322 E CA -0.995 55.392 56.400 -0.020 0.000 0.784 322 E CB 1.873 31.572 29.700 -0.002 0.000 1.115 322 E HN 0.122 nan 8.360 nan 0.000 0.399 323 V N 2.757 122.740 119.914 0.115 0.000 2.630 323 V HA 0.751 4.871 4.120 -0.001 0.000 0.305 323 V C -0.909 175.227 176.094 0.071 0.000 1.046 323 V CA -0.016 62.350 62.300 0.111 0.000 0.934 323 V CB 1.926 33.836 31.823 0.145 0.000 1.003 323 V HN 1.001 nan 8.190 nan 0.000 0.451 324 T N 3.064 117.649 114.554 0.052 0.000 2.879 324 T HA 0.587 4.937 4.350 -0.001 0.000 0.290 324 T C -0.947 173.770 174.700 0.028 0.000 0.993 324 T CA -0.733 61.391 62.100 0.039 0.000 0.975 324 T CB 1.575 70.463 68.868 0.034 0.000 0.981 324 T HN 0.583 nan 8.240 nan 0.000 0.439 325 Q N 3.131 122.944 119.800 0.022 0.000 2.441 325 Q HA 0.405 4.745 4.340 -0.001 0.000 0.234 325 Q C 0.841 176.848 176.000 0.012 0.000 1.078 325 Q CA -0.507 55.304 55.803 0.014 0.000 0.907 325 Q CB 0.621 29.365 28.738 0.009 0.000 1.269 325 Q HN 0.547 nan 8.270 nan 0.000 0.502 326 N N 1.381 120.088 118.700 0.011 0.000 2.124 326 N HA -0.068 4.671 4.740 -0.001 0.000 0.189 326 N C 0.123 175.636 175.510 0.006 0.000 1.050 326 N CA 1.214 54.270 53.050 0.009 0.000 0.848 326 N CB 0.354 38.846 38.487 0.009 0.000 1.027 326 N HN 0.451 nan 8.380 nan 0.000 0.435 327 D N -1.369 119.033 120.400 0.004 0.000 3.013 327 D HA 0.206 4.845 4.640 -0.001 0.000 0.256 327 D C 1.020 177.321 176.300 0.001 0.000 1.573 327 D CA 0.612 54.613 54.000 0.002 0.000 1.197 327 D CB -0.372 40.429 40.800 0.002 0.000 1.041 327 D HN 0.275 nan 8.370 nan 0.000 0.304 328 G N -0.093 108.707 108.800 -0.000 0.000 3.969 328 G HA2 0.246 4.206 3.960 -0.001 0.000 0.291 328 G HA3 0.246 4.206 3.960 -0.001 0.000 0.291 328 G C -0.294 174.605 174.900 -0.002 0.000 1.016 328 G CA 0.058 45.157 45.100 -0.002 0.000 0.819 328 G HN 0.219 nan 8.290 nan 0.000 0.493 329 T N 0.660 115.214 114.554 0.000 0.000 2.881 329 T HA 0.504 4.854 4.350 -0.001 0.000 0.291 329 T C -0.153 174.550 174.700 0.004 0.000 0.990 329 T CA -0.293 61.808 62.100 0.001 0.000 0.976 329 T CB 1.091 69.960 68.868 0.002 0.000 0.970 329 T HN 0.108 nan 8.240 nan 0.000 0.438 330 T N 2.743 117.298 114.554 0.003 0.000 2.723 330 T HA 0.511 4.861 4.350 -0.001 0.000 0.297 330 T C 0.476 175.185 174.700 0.015 0.000 0.925 330 T CA -0.774 61.331 62.100 0.008 0.000 1.030 330 T CB 0.223 69.091 68.868 0.000 0.000 0.905 330 T HN 0.729 nan 8.240 nan 0.000 0.502 331 T N 1.901 116.468 114.554 0.022 0.000 2.795 331 T HA 0.691 5.041 4.350 -0.001 0.000 0.282 331 T C -0.063 174.662 174.700 0.042 0.000 0.980 331 T CA -0.957 61.158 62.100 0.026 0.000 1.012 331 T CB 0.573 69.453 68.868 0.020 0.000 0.936 331 T HN 0.636 nan 8.240 nan 0.000 0.457 332 I N 1.993 122.592 120.570 0.048 0.000 2.433 332 I HA 0.731 4.901 4.170 -0.001 0.000 0.292 332 I C 0.220 176.358 176.117 0.034 0.000 1.001 332 I CA -1.044 60.299 61.300 0.071 0.000 1.119 332 I CB 1.676 39.752 38.000 0.126 0.000 1.289 332 I HN 0.955 nan 8.210 nan 0.000 0.438 333 A N 5.127 127.954 122.820 0.012 0.000 2.525 333 A HA 0.665 4.985 4.320 -0.001 0.000 0.291 333 A C -1.219 176.339 177.584 -0.042 0.000 1.268 333 A CA -0.782 51.249 52.037 -0.010 0.000 0.712 333 A CB 1.385 20.384 19.000 -0.002 0.000 1.320 333 A HN 0.620 nan 8.150 nan 0.000 0.456 334 N N 2.008 120.686 118.700 -0.038 0.000 2.422 334 N HA 0.254 4.994 4.740 -0.001 0.000 0.266 334 N C -1.268 174.218 175.510 -0.040 0.000 1.007 334 N CA -0.186 52.833 53.050 -0.052 0.000 0.941 334 N CB 1.248 39.711 38.487 -0.039 0.000 1.115 334 N HN 0.564 nan 8.380 nan 0.000 0.492 335 N N 3.800 122.469 118.700 -0.052 0.000 2.955 335 N HA 0.200 4.940 4.740 -0.001 0.000 0.242 335 N C 1.049 176.542 175.510 -0.028 0.000 1.123 335 N CA -0.268 52.763 53.050 -0.032 0.000 0.949 335 N CB 0.163 38.632 38.487 -0.031 0.000 1.214 335 N HN 0.486 nan 8.380 nan 0.000 0.504 336 L N 0.542 121.754 121.223 -0.018 0.000 2.046 336 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 336 L C 2.001 178.869 176.870 -0.002 0.000 1.077 336 L CA 1.529 56.363 54.840 -0.010 0.000 0.747 336 L CB -0.753 41.303 42.059 -0.005 0.000 0.896 336 L HN 0.505 nan 8.230 nan 0.000 0.432 337 T N -3.967 110.586 114.554 -0.001 0.000 3.227 337 T HA -0.010 4.339 4.350 -0.001 0.000 0.257 337 T C 0.816 175.517 174.700 0.001 0.000 1.162 337 T CA 0.016 62.118 62.100 0.003 0.000 1.051 337 T CB -0.102 68.768 68.868 0.004 0.000 0.953 337 T HN 0.118 nan 8.240 nan 0.000 0.535 338 S N 1.594 117.292 115.700 -0.003 0.000 2.616 338 S HA 0.600 5.070 4.470 -0.001 0.000 0.277 338 S C 0.235 174.837 174.600 0.003 0.000 1.234 338 S CA -0.572 57.624 58.200 -0.006 0.000 1.028 338 S CB 1.069 64.260 63.200 -0.016 0.000 0.988 338 S HN 0.715 nan 8.310 nan 0.000 0.522 339 T N 0.045 114.600 114.554 0.002 0.000 2.926 339 T HA 0.776 5.125 4.350 -0.001 0.000 0.289 339 T C -0.581 174.127 174.700 0.014 0.000 1.054 339 T CA -0.767 61.345 62.100 0.019 0.000 1.015 339 T CB 1.347 70.228 68.868 0.023 0.000 1.167 339 T HN 0.562 nan 8.240 nan 0.000 0.526 340 V N 0.189 120.126 119.914 0.039 0.000 3.040 340 V HA 0.594 4.713 4.120 -0.001 0.000 0.312 340 V C -1.648 174.469 176.094 0.039 0.000 1.115 340 V CA -0.829 61.487 62.300 0.027 0.000 0.998 340 V CB 2.267 34.136 31.823 0.077 0.000 1.042 340 V HN 1.059 nan 8.190 nan 0.000 0.433 341 Q N 3.223 123.031 119.800 0.013 0.000 2.330 341 Q HA 0.736 5.075 4.340 -0.001 0.000 0.269 341 Q C -1.568 174.566 176.000 0.223 0.000 1.022 341 Q CA -0.644 55.231 55.803 0.120 0.000 0.796 341 Q CB 2.538 31.360 28.738 0.140 0.000 1.271 341 Q HN 0.564 nan 8.270 nan 0.000 0.450 342 V N 2.986 122.996 119.914 0.160 0.000 2.823 342 V HA 0.757 4.876 4.120 -0.001 0.000 0.312 342 V C -0.771 175.352 176.094 0.048 0.000 1.072 342 V CA -0.899 61.368 62.300 -0.054 0.000 0.937 342 V CB 1.399 32.863 31.823 -0.599 0.000 1.013 342 V HN 0.778 nan 8.190 nan 0.000 0.430 343 F N 0.309 120.096 119.950 -0.273 0.000 2.703 343 F HA 0.727 5.254 4.527 -0.001 0.000 0.308 343 F C -0.903 174.683 175.800 -0.355 0.000 1.126 343 F CA -0.628 57.232 58.000 -0.233 0.000 0.959 343 F CB 1.851 40.745 39.000 -0.176 0.000 1.297 343 F HN 0.462 nan 8.300 nan 0.000 0.441 344 T N 1.506 115.904 114.554 -0.259 0.000 2.786 344 T HA 0.275 4.625 4.350 -0.001 0.000 0.283 344 T C -1.155 173.339 174.700 -0.343 0.000 0.992 344 T CA -0.383 61.404 62.100 -0.523 0.000 0.954 344 T CB 0.580 69.017 68.868 -0.718 0.000 0.934 344 T HN 0.824 nan 8.240 nan 0.000 0.440 345 D N 3.600 123.712 120.400 -0.479 0.000 2.441 345 D HA 0.220 4.860 4.640 -0.001 0.000 0.243 345 D C 0.821 176.868 176.300 -0.422 0.000 1.257 345 D CA 0.104 53.901 54.000 -0.339 0.000 1.027 345 D CB 0.117 40.674 40.800 -0.405 0.000 1.084 345 D HN 0.450 nan 8.370 nan 0.000 0.514 346 S N 2.295 117.804 115.700 -0.317 0.000 2.503 346 S HA 0.002 4.471 4.470 -0.001 0.000 0.215 346 S C 1.322 175.681 174.600 -0.402 0.000 1.003 346 S CA -0.077 57.885 58.200 -0.396 0.000 0.910 346 S CB 0.209 63.338 63.200 -0.118 0.000 0.790 346 S HN 0.544 nan 8.310 nan 0.000 0.514 347 E N 0.459 120.547 120.200 -0.185 0.000 2.489 347 E HA 0.084 4.434 4.350 -0.001 0.000 0.193 347 E C -0.814 175.837 176.600 0.085 0.000 1.057 347 E CA -0.192 56.196 56.400 -0.020 0.000 0.866 347 E CB -0.125 29.596 29.700 0.033 0.000 0.916 347 E HN 0.544 nan 8.360 nan 0.000 0.500 348 Y N 0.385 120.702 120.300 0.029 0.000 3.078 348 Y HA -0.302 4.247 4.550 -0.001 0.000 0.202 348 Y C 1.058 176.946 175.900 -0.021 0.000 1.322 348 Y CA 0.325 58.427 58.100 0.003 0.000 1.118 348 Y CB -2.264 36.199 38.460 0.004 0.000 1.343 348 Y HN 0.206 nan 8.280 nan 0.000 0.499 349 Q N -0.249 119.592 119.800 0.069 0.000 2.378 349 Q HA 0.265 4.605 4.340 -0.001 0.000 0.216 349 Q C 0.363 176.245 176.000 -0.196 0.000 0.892 349 Q CA 0.091 55.908 55.803 0.022 0.000 0.931 349 Q CB 0.698 29.525 28.738 0.148 0.000 1.086 349 Q HN 0.510 nan 8.270 nan 0.000 0.528 350 L N 2.412 123.484 121.223 -0.251 0.000 2.312 350 L HA 0.354 4.694 4.340 -0.001 0.000 0.281 350 L C -2.207 174.520 176.870 -0.237 0.000 1.070 350 L CA -2.317 52.246 54.840 -0.461 0.000 0.805 350 L CB 0.887 42.611 42.059 -0.558 0.000 1.174 350 L HN -0.167 nan 8.230 nan 0.000 0.434 351 P HA -0.142 nan 4.420 nan 0.000 0.258 351 P C -1.037 176.320 177.300 0.096 0.000 1.172 351 P CA 0.232 63.335 63.100 0.006 0.000 0.762 351 P CB -0.022 31.717 31.700 0.065 0.000 0.764 352 Y N 3.960 124.269 120.300 0.016 0.000 2.531 352 Y HA 0.114 4.664 4.550 -0.001 0.000 0.347 352 Y C 1.291 177.195 175.900 0.007 0.000 1.024 352 Y CA 0.410 58.522 58.100 0.021 0.000 1.306 352 Y CB 0.450 38.944 38.460 0.055 0.000 1.149 352 Y HN 0.155 nan 8.280 nan 0.000 0.527 353 V N 6.997 126.746 119.914 -0.276 0.000 3.621 353 V HA 0.158 4.278 4.120 -0.001 0.000 0.285 353 V C 0.455 176.360 176.094 -0.316 0.000 1.346 353 V CA 0.218 62.363 62.300 -0.259 0.000 1.104 353 V CB -0.469 31.125 31.823 -0.382 0.000 0.913 353 V HN 0.581 nan 8.190 nan 0.000 0.432 354 L N 0.117 121.032 121.223 -0.513 0.000 2.468 354 L HA 0.569 4.909 4.340 -0.001 0.000 0.254 354 L C 1.459 178.284 176.870 -0.076 0.000 1.171 354 L CA 0.513 55.136 54.840 -0.362 0.000 0.809 354 L CB 0.227 41.971 42.059 -0.525 0.000 1.155 354 L HN 0.305 nan 8.230 nan 0.000 0.473 355 G N 0.503 109.236 108.800 -0.110 0.000 2.198 355 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.257 355 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.257 355 G C 0.383 175.290 174.900 0.013 0.000 1.042 355 G CA 0.373 45.433 45.100 -0.068 0.000 0.791 355 G HN 0.538 nan 8.290 nan 0.000 0.502 356 S N -0.549 115.174 115.700 0.038 0.000 2.855 356 S HA 0.587 5.056 4.470 -0.001 0.000 0.249 356 S C 1.454 175.977 174.600 -0.130 0.000 1.033 356 S CA 1.027 59.239 58.200 0.020 0.000 1.038 356 S CB 0.675 63.966 63.200 0.151 0.000 0.960 356 S HN 2.187 nan 8.310 nan 0.000 0.548 357 A N 1.512 124.291 122.820 -0.067 0.000 2.847 357 A HA -0.214 4.105 4.320 -0.001 0.000 0.263 357 A C 0.330 177.861 177.584 -0.089 0.000 1.391 357 A CA 0.882 52.878 52.037 -0.068 0.000 0.866 357 A CB -2.280 16.674 19.000 -0.077 0.000 1.057 357 A HN 0.674 nan 8.150 nan 0.000 0.673 358 H N 0.097 119.162 119.070 -0.008 0.000 2.745 358 H HA 0.297 4.853 4.556 -0.001 0.000 0.373 358 H C 0.945 176.294 175.328 0.034 0.000 1.226 358 H CA 0.856 56.913 56.048 0.014 0.000 1.435 358 H CB 0.364 30.141 29.762 0.024 0.000 1.461 358 H HN 0.741 nan 8.280 nan 0.000 0.616 359 Q N -0.871 119.040 119.800 0.186 0.000 2.180 359 Q HA 0.414 4.754 4.340 -0.001 0.000 0.241 359 Q C 0.583 176.645 176.000 0.103 0.000 0.970 359 Q CA -0.292 55.585 55.803 0.123 0.000 0.919 359 Q CB 1.677 30.477 28.738 0.102 0.000 1.222 359 Q HN 0.971 nan 8.270 nan 0.000 0.482 360 G N -0.499 108.345 108.800 0.072 0.000 2.159 360 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.170 360 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.170 360 G C 0.221 175.097 174.900 -0.039 0.000 1.007 360 G CA -0.371 44.751 45.100 0.035 0.000 0.672 360 G HN 0.608 nan 8.290 nan 0.000 0.507 361 C N 0.265 119.545 119.300 -0.033 0.000 2.827 361 C HA 0.557 5.017 4.460 -0.001 0.000 0.287 361 C C 1.610 176.424 174.990 -0.293 0.000 1.497 361 C CA -0.344 58.618 59.018 -0.094 0.000 2.161 361 C CB -0.328 27.387 27.740 -0.041 0.000 2.120 361 C HN 0.494 nan 8.230 nan 0.000 0.676 362 L N 2.146 123.219 121.223 -0.251 0.000 2.380 362 L HA 0.260 4.600 4.340 -0.001 0.000 0.273 362 L C -2.116 174.720 176.870 -0.057 0.000 1.138 362 L CA -1.240 53.394 54.840 -0.344 0.000 0.832 362 L CB 0.028 41.988 42.059 -0.165 0.000 1.124 362 L HN 0.391 nan 8.230 nan 0.000 0.454 363 P HA 0.038 nan 4.420 nan 0.000 0.265 363 P C -2.062 175.337 177.300 0.166 0.000 1.193 363 P CA -0.902 62.285 63.100 0.146 0.000 0.765 363 P CB 0.209 32.028 31.700 0.198 0.000 0.823 364 P HA -0.140 nan 4.420 nan 0.000 0.215 364 P C 0.256 177.537 177.300 -0.032 0.000 1.157 364 P CA 1.161 64.325 63.100 0.106 0.000 0.868 364 P CB -0.046 31.591 31.700 -0.105 0.000 0.788 365 F N 0.109 119.863 119.950 -0.327 0.000 2.420 365 F HA 0.246 4.773 4.527 -0.001 0.000 0.352 365 F C -1.628 174.125 175.800 -0.078 0.000 1.108 365 F CA -2.866 54.891 58.000 -0.406 0.000 1.162 365 F CB 0.787 39.478 39.000 -0.515 0.000 1.118 365 F HN -0.092 nan 8.300 nan 0.000 0.510 366 P HA -0.158 nan 4.420 nan 0.000 0.216 366 P C 1.025 178.292 177.300 -0.055 0.000 1.150 366 P CA 1.927 64.923 63.100 -0.175 0.000 0.837 366 P CB 0.061 31.652 31.700 -0.183 0.000 0.786 367 A N -1.143 121.486 122.820 -0.319 0.000 2.119 367 A HA -0.058 4.262 4.320 -0.001 0.000 0.217 367 A C 0.759 178.448 177.584 0.175 0.000 1.153 367 A CA 0.772 52.798 52.037 -0.018 0.000 0.692 367 A CB -1.011 18.037 19.000 0.080 0.000 0.799 367 A HN 0.111 nan 8.150 nan 0.000 0.458 368 D N -0.420 120.132 120.400 0.253 0.000 2.345 368 D HA 0.417 5.056 4.640 -0.001 0.000 0.247 368 D C -0.207 176.249 176.300 0.260 0.000 1.108 368 D CA 0.164 54.320 54.000 0.261 0.000 0.894 368 D CB 1.395 42.365 40.800 0.283 0.000 1.203 368 D HN -0.015 nan 8.370 nan 0.000 0.430 369 V N 2.507 122.553 119.914 0.220 0.000 2.612 369 V HA 0.561 4.680 4.120 -0.001 0.000 0.301 369 V C -0.131 176.126 176.094 0.271 0.000 1.046 369 V CA -0.745 61.680 62.300 0.208 0.000 0.946 369 V CB 0.957 32.829 31.823 0.082 0.000 1.003 369 V HN 0.446 nan 8.190 nan 0.000 0.459 370 F N 1.926 121.961 119.950 0.142 0.000 2.593 370 F HA 0.787 5.314 4.527 -0.001 0.000 0.320 370 F C -0.529 175.350 175.800 0.132 0.000 1.060 370 F CA -1.330 56.749 58.000 0.133 0.000 0.940 370 F CB 1.990 41.079 39.000 0.149 0.000 1.268 370 F HN 0.475 nan 8.300 nan 0.000 0.475 371 M N 3.551 123.249 119.600 0.163 0.000 2.209 371 M HA 0.507 4.987 4.480 -0.001 0.000 0.355 371 M C -1.339 175.045 176.300 0.139 0.000 1.171 371 M CA -0.850 54.482 55.300 0.054 0.000 1.069 371 M CB 1.461 34.105 32.600 0.074 0.000 1.622 371 M HN 0.620 nan 8.290 nan 0.000 0.459 372 V N 8.279 128.193 119.914 0.001 0.000 2.439 372 V HA 0.193 4.312 4.120 -0.001 0.000 0.271 372 V C -1.995 174.026 176.094 -0.121 0.000 1.040 372 V CA -1.159 61.084 62.300 -0.095 0.000 1.002 372 V CB 0.149 31.764 31.823 -0.348 0.000 1.000 372 V HN 0.762 nan 8.190 nan 0.000 0.477 373 P HA 0.064 nan 4.420 nan 0.000 0.271 373 P C -0.565 176.338 177.300 -0.662 0.000 1.238 373 P CA -0.161 62.654 63.100 -0.476 0.000 0.794 373 P CB 0.482 31.713 31.700 -0.782 0.000 0.959 374 Q N 0.227 119.643 119.800 -0.639 0.000 2.266 374 Q HA 0.286 4.625 4.340 -0.001 0.000 0.261 374 Q C -1.407 174.598 176.000 0.008 0.000 0.985 374 Q CA -0.827 54.551 55.803 -0.707 0.000 0.873 374 Q CB 0.680 28.701 28.738 -1.195 0.000 1.306 374 Q HN 0.361 nan 8.270 nan 0.000 0.447 375 Y N 1.360 121.671 120.300 0.017 0.000 2.336 375 Y HA 0.554 5.103 4.550 -0.001 0.000 0.335 375 Y C -0.291 175.650 175.900 0.069 0.000 1.046 375 Y CA 0.253 58.404 58.100 0.086 0.000 1.198 375 Y CB 1.153 39.665 38.460 0.087 0.000 1.182 375 Y HN 0.625 nan 8.280 nan 0.000 0.502 376 G N 5.810 114.309 108.800 -0.501 0.000 2.731 376 G HA2 0.491 4.451 3.960 -0.001 0.000 0.298 376 G HA3 0.491 4.451 3.960 -0.001 0.000 0.298 376 G C -2.244 172.405 174.900 -0.420 0.000 1.424 376 G CA -0.802 44.091 45.100 -0.345 0.000 1.029 376 G HN 0.741 nan 8.290 nan 0.000 0.518 377 Y N -0.109 120.008 120.300 -0.306 0.000 2.605 377 Y HA 0.839 5.389 4.550 -0.001 0.000 0.343 377 Y C -0.925 175.001 175.900 0.043 0.000 1.036 377 Y CA -1.636 56.363 58.100 -0.169 0.000 1.065 377 Y CB 1.591 39.993 38.460 -0.096 0.000 1.288 377 Y HN 0.459 nan 8.280 nan 0.000 0.481 378 L N 1.392 122.733 121.223 0.197 0.000 2.304 378 L HA 0.838 5.178 4.340 -0.001 0.000 0.268 378 L C -0.442 176.621 176.870 0.323 0.000 1.010 378 L CA -0.744 54.208 54.840 0.186 0.000 0.813 378 L CB 2.482 44.644 42.059 0.172 0.000 1.315 378 L HN 0.938 nan 8.230 nan 0.000 0.445 379 T N 0.007 114.745 114.554 0.306 0.000 2.812 379 T HA 0.356 4.706 4.350 -0.001 0.000 0.294 379 T C -1.045 173.822 174.700 0.277 0.000 1.159 379 T CA -0.714 61.590 62.100 0.340 0.000 1.008 379 T CB 1.603 70.724 68.868 0.422 0.000 1.289 379 T HN 0.222 nan 8.240 nan 0.000 0.514 380 L N 3.326 124.687 121.223 0.229 0.000 2.540 380 L HA 0.353 4.692 4.340 -0.001 0.000 0.276 380 L C -0.088 176.865 176.870 0.138 0.000 1.212 380 L CA 0.388 55.326 54.840 0.163 0.000 0.893 380 L CB -0.692 41.442 42.059 0.125 0.000 1.138 380 L HN 0.899 nan 8.230 nan 0.000 0.491 381 N N 1.699 120.461 118.700 0.105 0.000 2.329 381 N HA 0.336 5.076 4.740 -0.001 0.000 0.282 381 N C -1.271 174.242 175.510 0.005 0.000 1.198 381 N CA -0.803 52.273 53.050 0.043 0.000 0.790 381 N CB 0.952 39.509 38.487 0.117 0.000 1.579 381 N HN 0.422 nan 8.380 nan 0.000 0.475 382 N N 0.831 119.492 118.700 -0.065 0.000 3.044 382 N HA 0.392 5.132 4.740 -0.001 0.000 0.254 382 N C 0.553 175.984 175.510 -0.131 0.000 1.253 382 N CA 0.875 53.882 53.050 -0.072 0.000 0.944 382 N CB -0.228 38.212 38.487 -0.078 0.000 1.217 382 N HN 1.025 nan 8.380 nan 0.000 0.498 383 G N 1.831 110.545 108.800 -0.143 0.000 2.527 383 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G C 0.827 175.507 174.900 -0.366 0.000 1.153 383 G CA 0.497 45.359 45.100 -0.396 0.000 0.954 383 G HN 0.718 nan 8.290 nan 0.000 0.552 384 S N 0.387 115.837 115.700 -0.418 0.000 2.496 384 S HA 0.287 4.757 4.470 -0.001 0.000 0.224 384 S C 1.106 175.629 174.600 -0.128 0.000 0.996 384 S CA 1.460 59.582 58.200 -0.130 0.000 0.927 384 S CB 0.164 63.330 63.200 -0.056 0.000 0.774 384 S HN 0.769 nan 8.310 nan 0.000 0.524 385 Q N 0.490 120.169 119.800 -0.202 0.000 2.185 385 Q HA 0.749 5.089 4.340 -0.001 0.000 0.225 385 Q C -0.462 175.291 176.000 -0.411 0.000 0.983 385 Q CA -0.513 55.116 55.803 -0.291 0.000 0.950 385 Q CB 1.327 29.933 28.738 -0.220 0.000 1.176 385 Q HN 0.473 nan 8.270 nan 0.000 0.510 386 A N 0.305 122.766 122.820 -0.599 0.000 2.350 386 A HA 0.694 5.014 4.320 -0.001 0.000 0.318 386 A C -0.790 176.624 177.584 -0.284 0.000 1.132 386 A CA -0.619 51.078 52.037 -0.567 0.000 0.811 386 A CB 1.073 19.415 19.000 -1.097 0.000 1.313 386 A HN 0.443 nan 8.150 nan 0.000 0.454 387 V N 0.066 119.888 119.914 -0.154 0.000 3.109 387 V HA 0.495 4.614 4.120 -0.001 0.000 0.317 387 V C 1.751 177.812 176.094 -0.054 0.000 1.074 387 V CA 0.299 62.551 62.300 -0.080 0.000 1.033 387 V CB 1.315 33.121 31.823 -0.028 0.000 1.111 387 V HN 1.163 nan 8.190 nan 0.000 0.458 388 G N 0.323 109.103 108.800 -0.033 0.000 2.509 388 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.218 388 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.218 388 G C 1.261 176.168 174.900 0.011 0.000 1.124 388 G CA 0.162 45.254 45.100 -0.014 0.000 0.776 388 G HN 0.653 nan 8.290 nan 0.000 0.547 389 R N 0.514 121.026 120.500 0.020 0.000 2.310 389 R HA 0.188 4.528 4.340 -0.001 0.000 0.202 389 R C 0.593 176.933 176.300 0.066 0.000 0.933 389 R CA -0.178 55.946 56.100 0.041 0.000 1.054 389 R CB 0.165 30.491 30.300 0.044 0.000 0.985 389 R HN 0.181 nan 8.270 nan 0.000 0.489 390 S N 0.389 116.134 115.700 0.074 0.000 2.589 390 S HA 0.149 4.619 4.470 -0.001 0.000 0.265 390 S C 0.174 174.846 174.600 0.120 0.000 1.342 390 S CA -0.041 58.239 58.200 0.135 0.000 1.005 390 S CB 1.288 64.593 63.200 0.175 0.000 0.909 390 S HN 0.048 nan 8.310 nan 0.000 0.555 391 S N 1.204 116.981 115.700 0.129 0.000 2.532 391 S HA 0.538 5.008 4.470 -0.001 0.000 0.299 391 S C -1.180 173.323 174.600 -0.162 0.000 1.105 391 S CA -0.575 57.566 58.200 -0.098 0.000 1.018 391 S CB 0.871 63.932 63.200 -0.231 0.000 1.021 391 S HN 0.527 nan 8.310 nan 0.000 0.483 392 F N 3.884 123.570 119.950 -0.439 0.000 2.427 392 F HA 0.620 5.146 4.527 -0.001 0.000 0.346 392 F C -1.537 173.941 175.800 -0.538 0.000 1.120 392 F CA -1.252 56.463 58.000 -0.476 0.000 1.033 392 F CB 0.449 39.189 39.000 -0.432 0.000 1.126 392 F HN 0.548 nan 8.300 nan 0.000 0.462 393 Y N 5.222 125.185 120.300 -0.562 0.000 2.341 393 Y HA 0.457 5.007 4.550 -0.001 0.000 0.338 393 Y C -0.283 175.142 175.900 -0.792 0.000 0.965 393 Y CA -0.953 56.798 58.100 -0.581 0.000 1.108 393 Y CB 1.671 39.875 38.460 -0.427 0.000 1.180 393 Y HN 0.721 nan 8.280 nan 0.000 0.458 394 C N 5.955 124.952 119.300 -0.504 0.000 2.281 394 C HA 0.406 4.865 4.460 -0.001 0.000 0.323 394 C C 0.824 175.824 174.990 0.017 0.000 1.270 394 C CA -0.731 58.004 59.018 -0.473 0.000 1.559 394 C CB -0.973 26.466 27.740 -0.501 0.000 2.239 394 C HN 0.976 nan 8.230 nan 0.000 0.488 395 L N 4.392 125.692 121.223 0.128 0.000 2.622 395 L HA 0.097 4.436 4.340 -0.001 0.000 0.233 395 L C 2.230 179.137 176.870 0.061 0.000 1.156 395 L CA 1.299 56.098 54.840 -0.069 0.000 0.866 395 L CB -0.468 41.177 42.059 -0.690 0.000 0.980 395 L HN 0.688 nan 8.230 nan 0.000 0.448 396 E N -1.640 118.750 120.200 0.316 0.000 2.371 396 E HA -0.134 4.216 4.350 -0.001 0.000 0.194 396 E C 1.348 178.044 176.600 0.159 0.000 1.012 396 E CA 0.519 57.110 56.400 0.319 0.000 0.860 396 E CB -0.090 29.827 29.700 0.362 0.000 0.811 396 E HN 0.548 nan 8.360 nan 0.000 0.502 397 Y N -0.074 120.217 120.300 -0.014 0.000 2.477 397 Y HA 0.079 4.629 4.550 -0.001 0.000 0.303 397 Y C -0.298 175.390 175.900 -0.353 0.000 1.202 397 Y CA -0.136 57.870 58.100 -0.157 0.000 1.282 397 Y CB -0.033 38.308 38.460 -0.199 0.000 1.071 397 Y HN -0.229 nan 8.280 nan 0.000 0.510 398 F N 1.338 121.032 119.950 -0.426 0.000 2.436 398 F HA 0.413 4.940 4.527 -0.001 0.000 0.340 398 F C -2.057 173.375 175.800 -0.612 0.000 1.113 398 F CA -3.116 54.474 58.000 -0.683 0.000 1.022 398 F CB 0.753 38.956 39.000 -1.327 0.000 1.128 398 F HN -0.070 nan 8.300 nan 0.000 0.466 399 P HA 0.122 nan 4.420 nan 0.000 0.262 399 P C -0.975 176.249 177.300 -0.128 0.000 1.199 399 P CA -0.001 62.990 63.100 -0.182 0.000 0.763 399 P CB 0.536 32.156 31.700 -0.134 0.000 0.790 400 S N 1.837 117.526 115.700 -0.019 0.000 2.548 400 S HA 0.397 4.867 4.470 -0.001 0.000 0.286 400 S C -0.811 173.886 174.600 0.162 0.000 1.098 400 S CA -0.992 57.290 58.200 0.137 0.000 0.930 400 S CB 1.683 65.047 63.200 0.274 0.000 1.070 400 S HN 0.431 nan 8.310 nan 0.000 0.480 401 Q N 1.960 121.887 119.800 0.210 0.000 2.279 401 Q HA 0.413 4.753 4.340 -0.001 0.000 0.256 401 Q C -1.004 175.099 176.000 0.172 0.000 0.937 401 Q CA -0.268 55.653 55.803 0.197 0.000 0.933 401 Q CB 0.582 29.492 28.738 0.286 0.000 1.189 401 Q HN 0.747 nan 8.270 nan 0.000 0.417 402 M N 4.300 123.979 119.600 0.133 0.000 2.209 402 M HA 0.339 4.819 4.480 -0.001 0.000 0.355 402 M C -1.181 175.184 176.300 0.108 0.000 1.171 402 M CA -0.678 54.686 55.300 0.107 0.000 1.069 402 M CB 0.982 33.628 32.600 0.076 0.000 1.622 402 M HN 0.445 nan 8.290 nan 0.000 0.459 403 L N 2.647 123.934 121.223 0.106 0.000 2.362 403 L HA 0.604 4.944 4.340 -0.001 0.000 0.275 403 L C -0.177 176.747 176.870 0.090 0.000 0.998 403 L CA -0.356 54.553 54.840 0.115 0.000 0.820 403 L CB 1.763 43.914 42.059 0.154 0.000 1.270 403 L HN 0.596 nan 8.230 nan 0.000 0.415 404 R N -0.102 120.445 120.500 0.079 0.000 2.606 404 R HA 0.651 4.990 4.340 -0.001 0.000 0.249 404 R C -0.525 175.816 176.300 0.069 0.000 1.127 404 R CA -0.538 55.599 56.100 0.060 0.000 1.133 404 R CB 1.019 31.346 30.300 0.046 0.000 1.243 404 R HN 0.639 nan 8.270 nan 0.000 0.558 405 T N 0.812 115.397 114.554 0.050 0.000 2.784 405 T HA 0.336 4.686 4.350 -0.001 0.000 0.291 405 T C 0.786 175.521 174.700 0.058 0.000 0.942 405 T CA 0.950 63.080 62.100 0.051 0.000 1.161 405 T CB 0.524 69.407 68.868 0.026 0.000 0.885 405 T HN 0.784 nan 8.240 nan 0.000 0.534 406 G N 3.554 112.401 108.800 0.079 0.000 2.211 406 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.201 406 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.201 406 G C 0.018 174.974 174.900 0.094 0.000 0.997 406 G CA -0.794 44.354 45.100 0.079 0.000 0.652 406 G HN 0.601 nan 8.290 nan 0.000 0.500 407 N N 1.653 120.419 118.700 0.109 0.000 2.508 407 N HA 0.598 5.338 4.740 -0.001 0.000 0.285 407 N C -0.135 175.480 175.510 0.175 0.000 1.144 407 N CA -0.122 53.004 53.050 0.127 0.000 0.978 407 N CB 1.162 39.724 38.487 0.125 0.000 1.180 407 N HN 0.682 nan 8.380 nan 0.000 0.484 408 N N -0.344 118.468 118.700 0.186 0.000 2.455 408 N HA 0.439 5.179 4.740 -0.001 0.000 0.278 408 N C -1.759 173.922 175.510 0.285 0.000 1.291 408 N CA -0.583 52.614 53.050 0.245 0.000 0.780 408 N CB 1.328 39.941 38.487 0.211 0.000 1.520 408 N HN 0.359 nan 8.380 nan 0.000 0.486 409 F N -0.015 120.028 119.950 0.156 0.000 2.520 409 F HA 0.531 5.058 4.527 -0.000 0.000 0.322 409 F C -0.691 175.210 175.800 0.167 0.000 1.103 409 F CA -0.455 57.639 58.000 0.157 0.000 0.926 409 F CB 2.031 41.137 39.000 0.176 0.000 1.154 409 F HN 0.569 nan 8.300 nan 0.000 0.453 410 Q N 5.111 124.543 119.800 -0.613 0.000 2.375 410 Q HA 0.612 4.952 4.340 -0.001 0.000 0.271 410 Q C -2.096 173.675 176.000 -0.381 0.000 1.074 410 Q CA -0.609 54.993 55.803 -0.335 0.000 0.808 410 Q CB 2.165 30.787 28.738 -0.193 0.000 1.327 410 Q HN 0.679 nan 8.270 nan 0.000 0.441 411 F N 1.053 120.872 119.950 -0.218 0.000 2.622 411 F HA 0.598 5.124 4.527 -0.001 0.000 0.318 411 F C -1.527 174.263 175.800 -0.016 0.000 1.135 411 F CA -0.251 57.679 58.000 -0.116 0.000 1.015 411 F CB 1.679 40.683 39.000 0.006 0.000 1.275 411 F HN 0.484 nan 8.300 nan 0.000 0.457 412 S N 5.182 120.376 115.700 -0.844 0.000 2.500 412 S HA 0.561 5.030 4.470 -0.001 0.000 0.301 412 S C -1.890 172.189 174.600 -0.868 0.000 1.092 412 S CA -0.554 57.245 58.200 -0.668 0.000 1.030 412 S CB 1.664 64.641 63.200 -0.371 0.000 1.031 412 S HN 0.622 nan 8.310 nan 0.000 0.483 413 Y N 1.355 121.227 120.300 -0.714 0.000 2.545 413 Y HA 0.638 5.188 4.550 -0.001 0.000 0.348 413 Y C -0.957 174.675 175.900 -0.447 0.000 1.002 413 Y CA -0.470 57.276 58.100 -0.589 0.000 1.039 413 Y CB 1.801 39.956 38.460 -0.507 0.000 1.271 413 Y HN 0.522 nan 8.280 nan 0.000 0.467 414 T N 6.310 120.089 114.554 -1.293 0.000 2.864 414 T HA 0.380 4.729 4.350 -0.001 0.000 0.299 414 T C -0.877 173.107 174.700 -1.193 0.000 1.011 414 T CA -0.431 61.097 62.100 -0.953 0.000 0.975 414 T CB -0.088 68.471 68.868 -0.516 0.000 0.962 414 T HN 0.453 nan 8.240 nan 0.000 0.448 415 F N 2.976 122.472 119.950 -0.757 0.000 2.595 415 F HA 0.137 4.663 4.527 -0.001 0.000 0.359 415 F C 1.627 177.238 175.800 -0.315 0.000 1.147 415 F CA -0.198 57.544 58.000 -0.429 0.000 1.341 415 F CB 0.603 39.436 39.000 -0.278 0.000 1.104 415 F HN 0.563 nan 8.300 nan 0.000 0.603 416 E N 0.660 120.870 120.200 0.017 0.000 2.622 416 E HA 0.175 4.524 4.350 -0.001 0.000 0.255 416 E C -1.185 175.396 176.600 -0.031 0.000 1.313 416 E CA -0.980 55.410 56.400 -0.017 0.000 1.011 416 E CB 0.346 30.067 29.700 0.035 0.000 1.173 416 E HN 0.356 nan 8.360 nan 0.000 0.601 417 D N 0.476 120.853 120.400 -0.038 0.000 2.358 417 D HA 0.226 4.865 4.640 -0.001 0.000 0.258 417 D C -1.137 175.133 176.300 -0.049 0.000 1.223 417 D CA 0.122 54.089 54.000 -0.055 0.000 0.886 417 D CB 1.194 41.974 40.800 -0.032 0.000 1.120 417 D HN 0.230 nan 8.370 nan 0.000 0.482 418 V N 4.567 124.421 119.914 -0.099 0.000 2.668 418 V HA 0.397 4.516 4.120 -0.001 0.000 0.304 418 V C -2.560 173.499 176.094 -0.058 0.000 1.071 418 V CA -2.218 60.051 62.300 -0.050 0.000 0.894 418 V CB 2.152 33.958 31.823 -0.029 0.000 1.008 418 V HN 0.341 nan 8.190 nan 0.000 0.425 419 P HA 0.076 nan 4.420 nan 0.000 0.263 419 P C -0.436 176.996 177.300 0.219 0.000 1.175 419 P CA 0.398 63.581 63.100 0.137 0.000 0.761 419 P CB 0.007 31.790 31.700 0.139 0.000 0.794 420 F N 1.345 121.387 119.950 0.154 0.000 2.628 420 F HA -0.016 4.510 4.527 -0.001 0.000 0.362 420 F C 1.751 177.666 175.800 0.192 0.000 1.148 420 F CA 0.656 58.766 58.000 0.184 0.000 1.352 420 F CB -0.093 38.991 39.000 0.140 0.000 1.081 420 F HN 0.430 nan 8.300 nan 0.000 0.605 421 H N 0.654 119.829 119.070 0.176 0.000 2.607 421 H HA 0.259 4.815 4.556 -0.001 0.000 0.367 421 H C -0.382 174.951 175.328 0.008 0.000 1.181 421 H CA -0.555 55.441 56.048 -0.086 0.000 1.402 421 H CB 0.760 30.230 29.762 -0.487 0.000 1.474 421 H HN 0.449 nan 8.280 nan 0.000 0.596 422 S N 2.755 117.842 115.700 -1.022 0.000 2.681 422 S HA 0.065 4.535 4.470 -0.001 0.000 0.313 422 S C 0.198 174.380 174.600 -0.697 0.000 1.137 422 S CA -0.368 57.347 58.200 -0.808 0.000 1.045 422 S CB 0.056 62.635 63.200 -1.034 0.000 1.208 422 S HN 0.596 nan 8.310 nan 0.000 0.523 423 S N 2.738 118.375 115.700 -0.105 0.000 2.763 423 S HA 0.203 4.672 4.470 -0.001 0.000 0.237 423 S C -0.066 174.592 174.600 0.097 0.000 0.966 423 S CA -0.446 57.811 58.200 0.095 0.000 1.017 423 S CB -0.590 62.787 63.200 0.294 0.000 0.780 423 S HN 0.803 nan 8.310 nan 0.000 0.476 424 Y N -1.580 118.601 120.300 -0.198 0.000 2.638 424 Y HA 0.886 5.436 4.550 -0.001 0.000 0.339 424 Y C -0.767 174.916 175.900 -0.361 0.000 1.084 424 Y CA -1.944 55.966 58.100 -0.317 0.000 1.068 424 Y CB 0.780 38.836 38.460 -0.674 0.000 1.294 424 Y HN -0.066 nan 8.280 nan 0.000 0.480 425 A N 1.250 123.937 122.820 -0.223 0.000 2.422 425 A HA 0.523 4.843 4.320 -0.001 0.000 0.302 425 A C -1.541 175.928 177.584 -0.190 0.000 1.041 425 A CA -0.909 50.958 52.037 -0.284 0.000 0.708 425 A CB 0.704 19.614 19.000 -0.150 0.000 1.257 425 A HN 0.862 nan 8.150 nan 0.000 0.414 426 H N 1.988 121.055 119.070 -0.005 0.000 2.803 426 H HA 0.126 4.682 4.556 -0.001 0.000 0.330 426 H C 1.251 176.574 175.328 -0.008 0.000 1.057 426 H CA 0.923 56.972 56.048 0.001 0.000 1.458 426 H CB 1.183 30.939 29.762 -0.009 0.000 1.470 426 H HN 0.776 nan 8.280 nan 0.000 0.560 427 S N 2.029 117.791 115.700 0.103 0.000 2.528 427 S HA 0.027 4.497 4.470 -0.001 0.000 0.219 427 S C 0.676 175.313 174.600 0.062 0.000 0.985 427 S CA -0.094 58.147 58.200 0.069 0.000 0.914 427 S CB 0.559 63.795 63.200 0.060 0.000 0.776 427 S HN 0.571 nan 8.310 nan 0.000 0.526 428 Q N 0.657 120.498 119.800 0.068 0.000 2.252 428 Q HA 0.657 4.996 4.340 -0.001 0.000 0.256 428 Q C -0.857 175.151 176.000 0.014 0.000 1.020 428 Q CA -0.629 55.193 55.803 0.031 0.000 0.913 428 Q CB 1.855 30.600 28.738 0.011 0.000 1.286 428 Q HN 0.305 nan 8.270 nan 0.000 0.480 429 S N -0.466 115.230 115.700 -0.007 0.000 2.638 429 S HA 0.381 4.850 4.470 -0.001 0.000 0.302 429 S C 0.713 175.294 174.600 -0.032 0.000 1.096 429 S CA -0.610 57.578 58.200 -0.021 0.000 0.953 429 S CB 0.894 64.089 63.200 -0.009 0.000 1.107 429 S HN 0.695 nan 8.310 nan 0.000 0.503 430 L N 1.452 122.655 121.223 -0.034 0.000 2.017 430 L HA -0.076 4.263 4.340 -0.001 0.000 0.208 430 L C 2.018 178.900 176.870 0.020 0.000 1.073 430 L CA 1.887 56.724 54.840 -0.006 0.000 0.745 430 L CB -0.342 41.722 42.059 0.008 0.000 0.894 430 L HN 0.827 nan 8.230 nan 0.000 0.432 431 D N -1.169 119.231 120.400 -0.000 0.000 2.289 431 D HA -0.123 4.517 4.640 -0.001 0.000 0.207 431 D C 0.947 177.239 176.300 -0.012 0.000 0.966 431 D CA 0.382 54.377 54.000 -0.009 0.000 0.868 431 D CB -0.065 40.719 40.800 -0.027 0.000 0.943 431 D HN 0.167 nan 8.370 nan 0.000 0.514 432 R N 0.980 121.475 120.500 -0.009 0.000 3.863 432 R HA 0.229 4.569 4.340 -0.001 0.000 0.304 432 R C 0.727 177.026 176.300 -0.001 0.000 1.485 432 R CA -0.258 55.838 56.100 -0.008 0.000 1.355 432 R CB 0.343 30.639 30.300 -0.006 0.000 1.457 432 R HN 0.215 nan 8.270 nan 0.000 0.669 433 L N 0.412 121.638 121.223 0.006 0.000 2.575 433 L HA 0.197 4.537 4.340 -0.001 0.000 0.228 433 L C 0.438 177.317 176.870 0.015 0.000 1.075 433 L CA 0.760 55.610 54.840 0.016 0.000 0.867 433 L CB 0.157 42.243 42.059 0.044 0.000 1.097 433 L HN 0.159 nan 8.230 nan 0.000 0.485 434 M N -0.716 118.885 119.600 0.002 0.000 1.801 434 M HA 0.216 4.695 4.480 -0.001 0.000 0.198 434 M C 0.444 176.739 176.300 -0.010 0.000 1.248 434 M CA -0.055 55.240 55.300 -0.009 0.000 0.893 434 M CB -0.816 31.765 32.600 -0.032 0.000 1.199 434 M HN -0.135 nan 8.290 nan 0.000 0.482 435 N N 0.476 119.166 118.700 -0.017 0.000 2.422 435 N HA 0.348 5.087 4.740 -0.001 0.000 0.266 435 N C -2.213 173.288 175.510 -0.015 0.000 1.007 435 N CA -1.679 51.364 53.050 -0.012 0.000 0.941 435 N CB 1.055 39.536 38.487 -0.009 0.000 1.115 435 N HN 0.325 nan 8.380 nan 0.000 0.492 436 P HA -0.011 nan 4.420 nan 0.000 0.225 436 P C 0.902 178.197 177.300 -0.009 0.000 1.148 436 P CA 0.643 63.737 63.100 -0.010 0.000 0.779 436 P CB 0.553 32.249 31.700 -0.006 0.000 0.780 437 L N -2.039 119.180 121.223 -0.007 0.000 2.316 437 L HA 0.126 4.466 4.340 -0.001 0.000 0.207 437 L C 1.083 177.951 176.870 -0.004 0.000 1.070 437 L CA 0.758 55.595 54.840 -0.005 0.000 0.820 437 L CB -0.421 41.636 42.059 -0.002 0.000 0.992 437 L HN -0.139 nan 8.230 nan 0.000 0.466 438 I N -0.410 120.155 120.570 -0.007 0.000 2.577 438 I HA 0.282 4.452 4.170 -0.001 0.000 0.305 438 I C -0.513 175.592 176.117 -0.020 0.000 0.986 438 I CA -0.834 60.462 61.300 -0.006 0.000 1.189 438 I CB 1.010 39.010 38.000 0.001 0.000 1.355 438 I HN -0.019 nan 8.210 nan 0.000 0.476 439 D N 2.950 123.339 120.400 -0.018 0.000 2.253 439 D HA 0.358 4.998 4.640 -0.001 0.000 0.249 439 D C 0.060 176.320 176.300 -0.068 0.000 1.049 439 D CA -0.403 53.574 54.000 -0.039 0.000 0.929 439 D CB 0.769 41.551 40.800 -0.030 0.000 1.176 439 D HN 0.338 nan 8.370 nan 0.000 0.437 440 Q N 0.253 119.981 119.800 -0.120 0.000 2.417 440 Q HA 0.136 4.475 4.340 -0.001 0.000 0.241 440 Q C 0.176 176.067 176.000 -0.182 0.000 1.008 440 Q CA -0.233 55.435 55.803 -0.225 0.000 0.901 440 Q CB 0.634 29.223 28.738 -0.248 0.000 1.259 440 Q HN 0.676 nan 8.270 nan 0.000 0.489 441 Y N -0.841 119.425 120.300 -0.057 0.000 2.457 441 Y HA 0.367 4.917 4.550 -0.001 0.000 0.263 441 Y C -0.061 175.820 175.900 -0.031 0.000 1.164 441 Y CA -0.493 57.581 58.100 -0.044 0.000 1.274 441 Y CB 0.296 38.761 38.460 0.010 0.000 1.097 441 Y HN 0.249 nan 8.280 nan 0.000 0.523 442 L N 0.908 122.097 121.223 -0.058 0.000 2.399 442 L HA 0.370 4.709 4.340 -0.001 0.000 0.265 442 L C -1.021 175.827 176.870 -0.036 0.000 1.089 442 L CA -0.943 53.934 54.840 0.062 0.000 0.802 442 L CB 0.935 42.984 42.059 -0.017 0.000 1.180 442 L HN 0.095 nan 8.230 nan 0.000 0.454 443 Y N 0.512 120.872 120.300 0.101 0.000 2.429 443 Y HA 0.461 5.011 4.550 -0.001 0.000 0.342 443 Y C -0.412 175.595 175.900 0.178 0.000 1.004 443 Y CA -0.572 57.583 58.100 0.093 0.000 1.075 443 Y CB 1.790 40.237 38.460 -0.021 0.000 1.214 443 Y HN 0.383 nan 8.280 nan 0.000 0.455 444 Y N 0.376 120.823 120.300 0.246 0.000 2.605 444 Y HA 0.734 5.284 4.550 -0.001 0.000 0.343 444 Y C -1.702 174.402 175.900 0.339 0.000 1.036 444 Y CA -1.752 56.482 58.100 0.224 0.000 1.065 444 Y CB 1.162 39.683 38.460 0.103 0.000 1.288 444 Y HN 0.545 nan 8.280 nan 0.000 0.481 445 L N 2.890 124.321 121.223 0.347 0.000 2.276 445 L HA 0.404 4.743 4.340 -0.001 0.000 0.286 445 L C 0.007 176.929 176.870 0.086 0.000 1.061 445 L CA -0.163 54.742 54.840 0.109 0.000 0.807 445 L CB 0.879 42.976 42.059 0.063 0.000 1.177 445 L HN 1.070 nan 8.230 nan 0.000 0.429 446 N N 2.188 120.855 118.700 -0.054 0.000 2.145 446 N HA 0.174 4.913 4.740 -0.001 0.000 0.219 446 N C -0.488 175.008 175.510 -0.025 0.000 1.266 446 N CA -0.648 52.431 53.050 0.048 0.000 0.902 446 N CB 0.642 39.203 38.487 0.123 0.000 1.078 446 N HN 0.312 nan 8.380 nan 0.000 0.513 447 R N 0.965 121.398 120.500 -0.112 0.000 2.502 447 R HA 0.263 4.603 4.340 -0.001 0.000 0.300 447 R C -0.004 176.208 176.300 -0.148 0.000 0.984 447 R CA -0.311 55.725 56.100 -0.107 0.000 0.882 447 R CB 1.481 31.719 30.300 -0.103 0.000 1.180 447 R HN 0.269 nan 8.270 nan 0.000 0.444 448 T N -1.788 112.707 114.554 -0.098 0.000 3.034 448 T HA -0.044 4.305 4.350 -0.001 0.000 0.248 448 T C 1.221 175.875 174.700 -0.076 0.000 1.040 448 T CA 0.486 62.528 62.100 -0.096 0.000 1.107 448 T CB 0.405 69.237 68.868 -0.060 0.000 0.932 448 T HN 0.587 nan 8.240 nan 0.000 0.474 449 Q N 0.969 120.734 119.800 -0.059 0.000 2.534 449 Q HA 0.371 4.711 4.340 -0.001 0.000 0.207 449 Q C 1.597 177.572 176.000 -0.041 0.000 0.735 449 Q CA -0.012 55.764 55.803 -0.045 0.000 0.904 449 Q CB -0.566 28.152 28.738 -0.032 0.000 1.294 449 Q HN 0.294 nan 8.270 nan 0.000 0.553 450 G N 2.265 111.044 108.800 -0.036 0.000 2.230 450 G HA2 0.196 4.156 3.960 -0.001 0.000 0.282 450 G HA3 0.196 4.156 3.960 -0.001 0.000 0.282 450 G C -0.308 174.573 174.900 -0.032 0.000 0.999 450 G CA 0.767 45.849 45.100 -0.029 0.000 1.326 450 G HN 0.363 nan 8.290 nan 0.000 0.397 451 T N 0.951 115.488 114.554 -0.028 0.000 2.849 451 T HA 0.308 4.657 4.350 -0.001 0.000 0.272 451 T C 1.025 175.714 174.700 -0.019 0.000 1.046 451 T CA -0.525 61.559 62.100 -0.027 0.000 0.983 451 T CB 0.543 69.394 68.868 -0.028 0.000 1.721 451 T HN 0.164 nan 8.240 nan 0.000 0.594 452 T N 2.729 117.273 114.554 -0.016 0.000 4.216 452 T HA 0.106 4.456 4.350 -0.001 0.000 0.221 452 T C 0.457 175.150 174.700 -0.011 0.000 0.939 452 T CA 0.129 62.222 62.100 -0.011 0.000 1.218 452 T CB -0.788 68.074 68.868 -0.009 0.000 1.266 452 T HN 0.494 nan 8.240 nan 0.000 0.917 453 S N 1.948 117.642 115.700 -0.011 0.000 2.429 453 S HA 0.483 4.953 4.470 -0.001 0.000 0.292 453 S C 1.146 175.742 174.600 -0.008 0.000 1.183 453 S CA 0.179 58.373 58.200 -0.010 0.000 1.088 453 S CB -0.124 63.070 63.200 -0.011 0.000 1.018 453 S HN 0.843 nan 8.310 nan 0.000 0.511 454 G N 3.594 112.389 108.800 -0.008 0.000 4.170 454 G HA2 0.161 4.121 3.960 -0.001 0.000 0.143 454 G HA3 0.161 4.121 3.960 -0.001 0.000 0.143 454 G C -0.289 174.607 174.900 -0.006 0.000 1.261 454 G CA -0.219 44.877 45.100 -0.006 0.000 1.043 454 G HN 0.584 nan 8.290 nan 0.000 0.382 455 T N 2.266 116.816 114.554 -0.006 0.000 2.794 455 T HA 0.497 4.847 4.350 -0.001 0.000 0.280 455 T C 0.356 175.052 174.700 -0.007 0.000 0.987 455 T CA 0.611 62.707 62.100 -0.006 0.000 0.993 455 T CB 1.355 70.219 68.868 -0.005 0.000 0.939 455 T HN 0.610 nan 8.240 nan 0.000 0.449 456 T N 3.630 118.180 114.554 -0.007 0.000 3.760 456 T HA -0.171 4.178 4.350 -0.001 0.000 0.366 456 T C 0.147 174.841 174.700 -0.009 0.000 0.761 456 T CA 0.550 62.645 62.100 -0.007 0.000 1.887 456 T CB -1.215 67.649 68.868 -0.007 0.000 1.811 456 T HN 0.619 nan 8.240 nan 0.000 0.749 457 N N 1.618 120.312 118.700 -0.010 0.000 2.904 457 N HA 0.117 4.856 4.740 -0.001 0.000 0.257 457 N C 1.414 176.915 175.510 -0.015 0.000 1.363 457 N CA -0.502 52.540 53.050 -0.013 0.000 0.856 457 N CB 1.292 39.771 38.487 -0.014 0.000 1.166 457 N HN 0.530 nan 8.380 nan 0.000 0.499 458 Q N 0.282 120.073 119.800 -0.015 0.000 1.984 458 Q HA 0.031 4.371 4.340 -0.001 0.000 0.196 458 Q C 0.253 176.241 176.000 -0.020 0.000 0.975 458 Q CA 0.921 56.715 55.803 -0.015 0.000 0.827 458 Q CB -0.199 28.532 28.738 -0.013 0.000 0.894 458 Q HN 0.320 nan 8.270 nan 0.000 0.438 459 S N -0.841 114.845 115.700 -0.023 0.000 2.550 459 S HA 0.761 5.231 4.470 -0.001 0.000 0.270 459 S C -1.031 173.547 174.600 -0.037 0.000 1.145 459 S CA -1.038 57.143 58.200 -0.031 0.000 0.852 459 S CB 3.073 66.255 63.200 -0.029 0.000 1.119 459 S HN 0.449 nan 8.310 nan 0.000 0.465 460 R N 1.067 121.534 120.500 -0.055 0.000 2.579 460 R HA 0.394 4.734 4.340 -0.001 0.000 0.260 460 R C -1.966 174.265 176.300 -0.115 0.000 1.103 460 R CA -0.750 55.310 56.100 -0.066 0.000 0.942 460 R CB 1.055 31.322 30.300 -0.055 0.000 1.251 460 R HN 0.806 nan 8.270 nan 0.000 0.450 461 L N 5.684 126.825 121.223 -0.137 0.000 2.325 461 L HA 0.393 4.733 4.340 -0.001 0.000 0.284 461 L C -0.469 176.141 176.870 -0.435 0.000 1.089 461 L CA -0.226 54.444 54.840 -0.284 0.000 0.836 461 L CB 0.591 42.528 42.059 -0.203 0.000 1.184 461 L HN 0.376 nan 8.230 nan 0.000 0.444 462 L N 4.125 125.011 121.223 -0.561 0.000 2.385 462 L HA 0.573 4.913 4.340 -0.001 0.000 0.273 462 L C -0.830 175.666 176.870 -0.624 0.000 0.990 462 L CA -0.420 54.145 54.840 -0.457 0.000 0.821 462 L CB 1.918 43.852 42.059 -0.207 0.000 1.279 462 L HN 0.336 nan 8.230 nan 0.000 0.412 463 F N 0.275 120.182 119.950 -0.073 0.000 2.522 463 F HA 0.582 5.108 4.527 -0.001 0.000 0.324 463 F C 0.380 176.122 175.800 -0.095 0.000 1.077 463 F CA -0.585 57.355 58.000 -0.101 0.000 0.944 463 F CB 2.199 41.167 39.000 -0.054 0.000 1.175 463 F HN 0.260 nan 8.300 nan 0.000 0.468 464 S N 0.671 116.277 115.700 -0.156 0.000 2.536 464 S HA 0.321 4.791 4.470 -0.001 0.000 0.298 464 S C -1.023 173.386 174.600 -0.319 0.000 1.083 464 S CA -0.867 57.194 58.200 -0.231 0.000 0.995 464 S CB 1.821 64.787 63.200 -0.390 0.000 1.058 464 S HN 0.638 nan 8.310 nan 0.000 0.488 465 Q N 2.120 121.755 119.800 -0.275 0.000 2.288 465 Q HA 0.543 4.883 4.340 -0.001 0.000 0.258 465 Q C -0.226 175.713 176.000 -0.100 0.000 0.957 465 Q CA -0.712 54.718 55.803 -0.621 0.000 0.919 465 Q CB 0.775 29.082 28.738 -0.718 0.000 1.185 465 Q HN 0.782 nan 8.270 nan 0.000 0.408 466 A N 3.397 126.255 122.820 0.063 0.000 2.565 466 A HA 0.459 4.779 4.320 -0.001 0.000 0.237 466 A C 0.330 177.915 177.584 0.002 0.000 1.053 466 A CA 0.776 52.893 52.037 0.134 0.000 0.755 466 A CB 0.091 19.084 19.000 -0.011 0.000 0.980 466 A HN 0.887 nan 8.150 nan 0.000 0.506 467 G N 1.086 109.896 108.800 0.017 0.000 2.818 467 G HA2 0.597 4.557 3.960 -0.001 0.000 0.286 467 G HA3 0.597 4.557 3.960 -0.001 0.000 0.286 467 G C -2.405 172.485 174.900 -0.018 0.000 1.364 467 G CA -1.026 44.069 45.100 -0.007 0.000 0.938 467 G HN 0.302 nan 8.290 nan 0.000 0.490 468 P HA -0.054 nan 4.420 nan 0.000 0.222 468 P C 1.519 178.811 177.300 -0.014 0.000 1.147 468 P CA 1.060 64.149 63.100 -0.018 0.000 0.790 468 P CB 0.306 31.999 31.700 -0.012 0.000 0.780 469 Q N -0.313 119.486 119.800 -0.003 0.000 2.083 469 Q HA -0.021 4.319 4.340 -0.001 0.000 0.198 469 Q C 1.088 177.090 176.000 0.002 0.000 0.969 469 Q CA 1.349 57.154 55.803 0.005 0.000 0.838 469 Q CB -0.492 28.256 28.738 0.016 0.000 0.900 469 Q HN 0.286 nan 8.270 nan 0.000 0.436 470 S N -0.026 115.677 115.700 0.005 0.000 3.983 470 S HA 0.218 4.688 4.470 -0.001 0.000 0.194 470 S C 0.838 175.386 174.600 -0.088 0.000 1.464 470 S CA -0.313 57.873 58.200 -0.023 0.000 1.021 470 S CB 0.147 63.366 63.200 0.032 0.000 1.424 470 S HN 0.222 nan 8.310 nan 0.000 0.473 471 M N 2.342 121.903 119.600 -0.065 0.000 2.156 471 M HA -0.060 4.419 4.480 -0.001 0.000 0.264 471 M C 1.820 178.064 176.300 -0.093 0.000 1.067 471 M CA 1.567 56.825 55.300 -0.071 0.000 1.131 471 M CB -0.063 32.511 32.600 -0.044 0.000 1.368 471 M HN 0.676 nan 8.290 nan 0.000 0.416 472 S N -0.732 114.913 115.700 -0.092 0.000 2.679 472 S HA 0.210 4.679 4.470 -0.001 0.000 0.233 472 S C 0.888 175.400 174.600 -0.146 0.000 0.951 472 S CA -0.295 57.846 58.200 -0.099 0.000 0.973 472 S CB -0.387 62.770 63.200 -0.071 0.000 0.778 472 S HN 0.567 nan 8.310 nan 0.000 0.477 473 L N -0.494 120.593 121.223 -0.226 0.000 2.993 473 L HA 0.310 4.649 4.340 -0.001 0.000 0.264 473 L C 0.655 177.224 176.870 -0.502 0.000 1.154 473 L CA -0.234 54.370 54.840 -0.393 0.000 0.972 473 L CB 0.172 41.901 42.059 -0.552 0.000 1.373 473 L HN 0.254 nan 8.230 nan 0.000 0.564 474 Q N 1.195 120.794 119.800 -0.335 0.000 2.432 474 Q HA 0.336 4.675 4.340 -0.001 0.000 0.264 474 Q C 0.507 176.391 176.000 -0.193 0.000 1.035 474 Q CA -0.097 55.548 55.803 -0.262 0.000 0.908 474 Q CB 0.971 29.607 28.738 -0.169 0.000 1.280 474 Q HN 0.273 nan 8.270 nan 0.000 0.455 475 A N 1.922 124.652 122.820 -0.151 0.000 2.520 475 A HA 0.196 4.516 4.320 -0.001 0.000 0.235 475 A C -0.040 177.474 177.584 -0.117 0.000 1.065 475 A CA 0.259 52.227 52.037 -0.114 0.000 0.764 475 A CB 0.306 19.247 19.000 -0.098 0.000 1.002 475 A HN 0.578 nan 8.150 nan 0.000 0.502 476 R N 0.328 120.761 120.500 -0.111 0.000 2.807 476 R HA 0.449 4.789 4.340 -0.001 0.000 0.276 476 R C 0.227 176.409 176.300 -0.197 0.000 0.979 476 R CA -0.617 55.415 56.100 -0.113 0.000 0.928 476 R CB 1.149 31.408 30.300 -0.069 0.000 1.191 476 R HN 0.735 nan 8.270 nan 0.000 0.471 477 N N 0.230 118.743 118.700 -0.312 0.000 2.250 477 N HA 0.163 4.903 4.740 -0.001 0.000 0.190 477 N C -1.022 173.877 175.510 -1.017 0.000 1.116 477 N CA 0.339 52.935 53.050 -0.757 0.000 0.881 477 N CB 0.456 38.332 38.487 -1.018 0.000 1.006 477 N HN 0.368 nan 8.380 nan 0.000 0.491 478 W N 0.082 121.381 121.300 -0.001 0.000 3.083 478 W HA 0.546 5.205 4.660 -0.001 0.000 0.333 478 W C -0.697 175.833 176.519 0.019 0.000 1.217 478 W CA -0.766 56.586 57.345 0.013 0.000 1.170 478 W CB 0.811 30.270 29.460 -0.001 0.000 1.437 478 W HN -0.371 nan 8.180 nan 0.000 0.557 479 L N 2.025 123.431 121.223 0.304 0.000 2.303 479 L HA 0.652 4.991 4.340 -0.001 0.000 0.266 479 L C -2.141 174.854 176.870 0.208 0.000 1.011 479 L CA -2.725 52.238 54.840 0.204 0.000 0.818 479 L CB 0.536 42.715 42.059 0.200 0.000 1.326 479 L HN 0.069 nan 8.230 nan 0.000 0.435 480 P HA 0.243 nan 4.420 nan 0.000 0.274 480 P C -0.115 177.343 177.300 0.264 0.000 1.256 480 P CA -0.373 62.828 63.100 0.168 0.000 0.795 480 P CB 0.442 32.192 31.700 0.083 0.000 1.038 481 G N 0.676 109.637 108.800 0.268 0.000 2.667 481 G HA2 0.307 4.267 3.960 -0.001 0.000 0.250 481 G HA3 0.307 4.267 3.960 -0.001 0.000 0.250 481 G C -2.281 172.684 174.900 0.108 0.000 1.212 481 G CA -0.931 44.316 45.100 0.246 0.000 0.874 481 G HN 0.363 nan 8.290 nan 0.000 0.561 482 P HA 0.209 nan 4.420 nan 0.000 0.273 482 P C 0.106 177.332 177.300 -0.123 0.000 1.258 482 P CA -0.030 62.942 63.100 -0.213 0.000 0.802 482 P CB 0.599 32.063 31.700 -0.395 0.000 1.040 483 C N -1.864 117.344 119.300 -0.154 0.000 3.285 483 C HA 0.706 5.165 4.460 -0.001 0.000 0.325 483 C C -1.717 173.297 174.990 0.041 0.000 1.304 483 C CA -0.722 58.277 59.018 -0.033 0.000 1.319 483 C CB 0.697 28.459 27.740 0.037 0.000 1.640 483 C HN 0.603 nan 8.230 nan 0.000 0.477 484 Y N 1.715 121.973 120.300 -0.070 0.000 2.379 484 Y HA 0.491 5.041 4.550 -0.001 0.000 0.342 484 Y C 0.340 176.226 175.900 -0.023 0.000 1.126 484 Y CA -0.327 57.740 58.100 -0.054 0.000 1.310 484 Y CB 0.511 38.946 38.460 -0.042 0.000 1.115 484 Y HN 1.055 nan 8.280 nan 0.000 0.505 485 R N 3.692 124.075 120.500 -0.195 0.000 2.500 485 R HA 0.017 4.356 4.340 -0.001 0.000 0.281 485 R C -0.475 175.747 176.300 -0.129 0.000 0.953 485 R CA 0.810 56.828 56.100 -0.137 0.000 1.108 485 R CB 0.494 30.701 30.300 -0.155 0.000 0.901 485 R HN 0.608 nan 8.270 nan 0.000 0.410 486 Q N 2.315 122.073 119.800 -0.070 0.000 2.297 486 Q HA 0.141 4.480 4.340 -0.001 0.000 0.268 486 Q C -0.828 175.109 176.000 -0.103 0.000 1.045 486 Q CA -0.940 54.811 55.803 -0.088 0.000 0.861 486 Q CB 1.832 30.514 28.738 -0.093 0.000 1.344 486 Q HN 0.515 nan 8.270 nan 0.000 0.452 487 Q N 1.229 120.962 119.800 -0.111 0.000 2.327 487 Q HA 0.139 4.479 4.340 -0.001 0.000 0.254 487 Q C -0.760 175.178 176.000 -0.103 0.000 0.952 487 Q CA 0.148 55.901 55.803 -0.083 0.000 0.884 487 Q CB 0.752 29.487 28.738 -0.005 0.000 1.224 487 Q HN 0.386 nan 8.270 nan 0.000 0.422 488 R N 3.127 123.569 120.500 -0.098 0.000 2.308 488 R HA 0.419 4.758 4.340 -0.001 0.000 0.305 488 R C -1.215 175.045 176.300 -0.066 0.000 1.053 488 R CA -0.383 55.655 56.100 -0.103 0.000 0.957 488 R CB 0.295 30.511 30.300 -0.139 0.000 1.022 488 R HN 0.531 nan 8.270 nan 0.000 0.461 489 L N 2.080 123.183 121.223 -0.199 0.000 2.354 489 L HA 0.428 4.768 4.340 -0.001 0.000 0.269 489 L C -0.237 176.599 176.870 -0.057 0.000 1.005 489 L CA -0.171 54.534 54.840 -0.224 0.000 0.819 489 L CB 2.040 43.694 42.059 -0.676 0.000 1.311 489 L HN 0.586 nan 8.230 nan 0.000 0.423 490 S N 0.232 115.994 115.700 0.105 0.000 2.549 490 S HA 0.435 4.904 4.470 -0.001 0.000 0.297 490 S C 0.771 175.453 174.600 0.137 0.000 1.115 490 S CA -0.578 57.638 58.200 0.026 0.000 1.059 490 S CB 1.040 64.210 63.200 -0.049 0.000 1.046 490 S HN 0.644 nan 8.310 nan 0.000 0.506 491 K N 1.324 121.779 120.400 0.091 0.000 2.288 491 K HA 0.026 4.346 4.320 -0.001 0.000 0.201 491 K C 0.225 176.835 176.600 0.017 0.000 1.048 491 K CA 0.693 57.035 56.287 0.090 0.000 0.956 491 K CB -0.225 32.273 32.500 -0.003 0.000 0.746 491 K HN 0.496 nan 8.250 nan 0.000 0.461 492 T N 1.872 116.407 114.554 -0.032 0.000 2.738 492 T HA 0.179 4.529 4.350 -0.001 0.000 0.293 492 T C 0.596 175.306 174.700 0.018 0.000 0.913 492 T CA -0.289 61.798 62.100 -0.022 0.000 1.103 492 T CB 1.234 70.072 68.868 -0.050 0.000 0.880 492 T HN 0.146 nan 8.240 nan 0.000 0.526 493 A N 3.892 126.727 122.820 0.025 0.000 2.223 493 A HA 0.046 4.366 4.320 -0.001 0.000 0.222 493 A C 1.612 179.222 177.584 0.043 0.000 1.317 493 A CA 0.099 52.160 52.037 0.041 0.000 0.985 493 A CB -0.672 18.346 19.000 0.030 0.000 0.858 493 A HN 0.948 nan 8.150 nan 0.000 0.496 494 N N -2.654 116.072 118.700 0.043 0.000 2.067 494 N HA -0.029 4.711 4.740 -0.001 0.000 0.227 494 N C -0.331 175.214 175.510 0.057 0.000 1.348 494 N CA 0.249 53.326 53.050 0.045 0.000 0.879 494 N CB 0.098 38.603 38.487 0.030 0.000 1.109 494 N HN 0.113 nan 8.380 nan 0.000 0.501 495 D N 1.026 121.466 120.400 0.068 0.000 2.277 495 D HA 0.068 4.708 4.640 -0.001 0.000 0.208 495 D C 0.183 176.552 176.300 0.115 0.000 0.962 495 D CA 0.674 54.733 54.000 0.099 0.000 0.865 495 D CB 0.015 40.894 40.800 0.133 0.000 0.939 495 D HN 0.268 nan 8.370 nan 0.000 0.510 496 N N 1.110 119.883 118.700 0.121 0.000 2.445 496 N HA 0.013 4.753 4.740 -0.001 0.000 0.264 496 N C 0.061 175.644 175.510 0.123 0.000 1.227 496 N CA -0.275 52.866 53.050 0.151 0.000 0.963 496 N CB 0.394 39.010 38.487 0.214 0.000 1.188 496 N HN 0.027 nan 8.380 nan 0.000 0.491 497 N N 0.858 119.627 118.700 0.116 0.000 2.513 497 N HA -0.088 4.652 4.740 -0.001 0.000 0.268 497 N C -0.259 175.340 175.510 0.148 0.000 1.180 497 N CA 0.234 53.324 53.050 0.066 0.000 0.948 497 N CB 0.086 38.526 38.487 -0.080 0.000 1.083 497 N HN 0.450 nan 8.380 nan 0.000 0.455 498 N N 1.876 120.631 118.700 0.093 0.000 3.193 498 N HA -0.024 4.715 4.740 -0.001 0.000 0.312 498 N C -1.039 174.537 175.510 0.110 0.000 1.261 498 N CA -0.163 52.943 53.050 0.095 0.000 1.208 498 N CB -0.123 38.399 38.487 0.058 0.000 1.471 498 N HN 0.493 nan 8.380 nan 0.000 0.548 499 S N 0.316 116.129 115.700 0.188 0.000 2.537 499 S HA 0.195 4.665 4.470 -0.001 0.000 0.270 499 S C -0.954 173.834 174.600 0.313 0.000 1.142 499 S CA -1.124 57.202 58.200 0.209 0.000 0.870 499 S CB 1.427 64.731 63.200 0.174 0.000 1.112 499 S HN 0.245 nan 8.310 nan 0.000 0.466 500 N N 1.339 120.151 118.700 0.188 0.000 2.439 500 N HA 0.430 5.170 4.740 -0.001 0.000 0.243 500 N C -0.397 175.210 175.510 0.161 0.000 1.088 500 N CA -0.845 52.260 53.050 0.091 0.000 0.940 500 N CB -0.315 38.198 38.487 0.044 0.000 1.180 500 N HN 0.677 nan 8.380 nan 0.000 0.505 501 F N 1.790 121.779 119.950 0.065 0.000 2.805 501 F HA 0.550 5.077 4.527 -0.001 0.000 0.317 501 F C -2.023 173.837 175.800 0.099 0.000 1.146 501 F CA -1.599 56.443 58.000 0.070 0.000 1.265 501 F CB 0.671 39.690 39.000 0.032 0.000 0.992 501 F HN 0.242 nan 8.300 nan 0.000 0.511 502 P HA -0.035 nan 4.420 nan 0.000 0.249 502 P C 0.616 178.062 177.300 0.243 0.000 1.241 502 P CA 1.005 64.109 63.100 0.007 0.000 0.781 502 P CB -0.094 31.585 31.700 -0.036 0.000 1.088 503 W N -0.522 120.803 121.300 0.042 0.000 3.900 503 W HA 0.028 4.687 4.660 -0.001 0.000 0.186 503 W C 0.502 177.061 176.519 0.066 0.000 1.082 503 W CA 0.664 58.034 57.345 0.042 0.000 1.537 503 W CB 0.017 29.482 29.460 0.008 0.000 0.639 503 W HN -0.108 nan 8.180 nan 0.000 0.912 504 T N -0.682 113.936 114.554 0.106 0.000 3.100 504 T HA 0.346 4.696 4.350 -0.001 0.000 0.253 504 T C 1.166 175.865 174.700 -0.001 0.000 1.118 504 T CA 0.955 63.056 62.100 0.003 0.000 1.058 504 T CB 0.365 69.305 68.868 0.120 0.000 0.953 504 T HN 0.084 nan 8.240 nan 0.000 0.515 505 A N 0.206 123.074 122.820 0.080 0.000 2.600 505 A HA 0.831 5.151 4.320 -0.001 0.000 0.252 505 A C 0.993 178.625 177.584 0.080 0.000 1.200 505 A CA -0.024 52.061 52.037 0.081 0.000 0.981 505 A CB 0.147 19.237 19.000 0.150 0.000 1.207 505 A HN 0.613 nan 8.150 nan 0.000 0.577 506 A N 0.296 123.160 122.820 0.074 0.000 2.302 506 A HA 0.629 4.949 4.320 -0.001 0.000 0.285 506 A C 0.365 177.981 177.584 0.053 0.000 1.105 506 A CA -0.182 51.930 52.037 0.124 0.000 0.816 506 A CB 0.250 19.415 19.000 0.275 0.000 1.067 506 A HN 0.299 nan 8.150 nan 0.000 0.489 507 S N 1.392 117.170 115.700 0.130 0.000 2.510 507 S HA 0.380 4.850 4.470 -0.001 0.000 0.279 507 S C -0.008 174.717 174.600 0.209 0.000 1.284 507 S CA -0.161 58.133 58.200 0.156 0.000 1.059 507 S CB -0.002 63.320 63.200 0.203 0.000 0.901 507 S HN 0.636 nan 8.310 nan 0.000 0.491 508 K N 1.666 122.147 120.400 0.136 0.000 2.509 508 K HA 0.599 4.918 4.320 -0.001 0.000 0.266 508 K C -1.352 175.325 176.600 0.128 0.000 0.987 508 K CA -1.067 55.234 56.287 0.024 0.000 0.868 508 K CB 1.344 33.698 32.500 -0.244 0.000 1.421 508 K HN 0.563 nan 8.250 nan 0.000 0.444 509 Y N -1.520 118.812 120.300 0.053 0.000 2.630 509 Y HA 0.620 5.170 4.550 -0.001 0.000 0.337 509 Y C -0.691 175.284 175.900 0.125 0.000 1.051 509 Y CA -1.022 57.117 58.100 0.065 0.000 1.121 509 Y CB 1.533 39.981 38.460 -0.019 0.000 1.299 509 Y HN 0.750 nan 8.280 nan 0.000 0.498 510 H N 1.738 120.948 119.070 0.234 0.000 2.865 510 H HA 0.628 5.184 4.556 -0.001 0.000 0.362 510 H C -2.393 173.064 175.328 0.216 0.000 1.114 510 H CA -1.183 54.947 56.048 0.137 0.000 1.208 510 H CB 1.619 31.416 29.762 0.059 0.000 1.727 510 H HN 0.885 nan 8.280 nan 0.000 0.534 511 L N 3.496 124.763 121.223 0.073 0.000 2.385 511 L HA 0.236 4.576 4.340 -0.001 0.000 0.273 511 L C 0.544 177.465 176.870 0.085 0.000 0.990 511 L CA -0.850 53.990 54.840 -0.000 0.000 0.821 511 L CB 1.547 43.673 42.059 0.112 0.000 1.279 511 L HN 0.839 nan 8.230 nan 0.000 0.412 512 N N 2.375 121.109 118.700 0.056 0.000 2.741 512 N HA -0.185 4.555 4.740 -0.001 0.000 0.250 512 N C 0.697 176.306 175.510 0.166 0.000 1.115 512 N CA 1.331 54.441 53.050 0.101 0.000 0.724 512 N CB -0.613 37.928 38.487 0.091 0.000 1.090 512 N HN 1.123 nan 8.380 nan 0.000 0.558 513 G N -0.356 108.629 108.800 0.310 0.000 2.176 513 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.252 513 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.252 513 G C -0.146 174.901 174.900 0.244 0.000 1.024 513 G CA 0.525 45.816 45.100 0.319 0.000 0.755 513 G HN 0.722 nan 8.290 nan 0.000 0.507 514 R N 0.496 121.166 120.500 0.284 0.000 2.451 514 R HA 0.370 4.710 4.340 -0.001 0.000 0.307 514 R C -1.135 175.278 176.300 0.190 0.000 0.965 514 R CA -0.841 55.379 56.100 0.201 0.000 0.865 514 R CB 0.763 31.164 30.300 0.169 0.000 1.174 514 R HN 0.088 nan 8.270 nan 0.000 0.455 515 D N 1.753 122.253 120.400 0.168 0.000 2.425 515 D HA 0.134 4.774 4.640 -0.001 0.000 0.247 515 D C -0.710 175.619 176.300 0.048 0.000 1.147 515 D CA 0.807 54.869 54.000 0.104 0.000 0.879 515 D CB 1.492 42.377 40.800 0.141 0.000 1.179 515 D HN 0.374 nan 8.370 nan 0.000 0.456 516 S N 1.524 117.060 115.700 -0.273 0.000 2.571 516 S HA 0.285 4.754 4.470 -0.001 0.000 0.284 516 S C -0.613 173.706 174.600 -0.469 0.000 1.128 516 S CA -0.760 57.202 58.200 -0.398 0.000 0.970 516 S CB 1.798 64.571 63.200 -0.712 0.000 1.039 516 S HN 0.292 nan 8.310 nan 0.000 0.485 517 L N 3.926 125.068 121.223 -0.135 0.000 2.418 517 L HA 0.336 4.676 4.340 -0.001 0.000 0.274 517 L C -0.356 176.475 176.870 -0.066 0.000 1.135 517 L CA 0.113 54.893 54.840 -0.100 0.000 0.870 517 L CB 0.532 42.573 42.059 -0.030 0.000 1.154 517 L HN 0.522 nan 8.230 nan 0.000 0.462 518 V N 6.895 126.842 119.914 0.054 0.000 2.242 518 V HA 0.024 4.144 4.120 -0.001 0.000 0.242 518 V C 1.241 177.424 176.094 0.148 0.000 1.240 518 V CA 0.026 62.443 62.300 0.195 0.000 1.211 518 V CB -0.695 31.283 31.823 0.260 0.000 1.338 518 V HN 0.918 nan 8.190 nan 0.000 0.499 519 N N 6.350 125.070 118.700 0.033 0.000 2.054 519 N HA 0.010 4.749 4.740 -0.001 0.000 0.193 519 N C -1.812 173.838 175.510 0.233 0.000 1.066 519 N CA 0.801 53.865 53.050 0.023 0.000 0.853 519 N CB -0.427 38.032 38.487 -0.047 0.000 1.048 519 N HN 0.366 nan 8.380 nan 0.000 0.431 520 P HA 0.277 nan 4.420 nan 0.000 0.251 520 P C -0.242 177.137 177.300 0.131 0.000 1.718 520 P CA -0.377 62.811 63.100 0.147 0.000 1.119 520 P CB 0.809 32.574 31.700 0.108 0.000 1.762 521 G N 4.636 113.528 108.800 0.152 0.000 2.479 521 G HA2 0.234 4.194 3.960 -0.001 0.000 0.275 521 G HA3 0.234 4.194 3.960 -0.001 0.000 0.275 521 G C -2.251 172.689 174.900 0.066 0.000 1.421 521 G CA -1.198 43.962 45.100 0.100 0.000 1.059 521 G HN 0.216 nan 8.290 nan 0.000 0.535 522 P HA 0.204 nan 4.420 nan 0.000 0.269 522 P C -0.182 177.143 177.300 0.042 0.000 1.205 522 P CA 0.275 63.368 63.100 -0.010 0.000 0.780 522 P CB 0.312 31.972 31.700 -0.067 0.000 0.858 523 A N 3.541 126.389 122.820 0.046 0.000 2.473 523 A HA 0.358 4.677 4.320 -0.001 0.000 0.282 523 A C 0.123 177.760 177.584 0.089 0.000 1.163 523 A CA 0.364 52.459 52.037 0.097 0.000 0.827 523 A CB -0.973 18.113 19.000 0.143 0.000 1.098 523 A HN 0.421 nan 8.150 nan 0.000 0.515 524 M N 2.063 121.720 119.600 0.096 0.000 2.644 524 M HA 0.587 5.067 4.480 -0.001 0.000 0.304 524 M C 0.233 176.587 176.300 0.090 0.000 1.215 524 M CA -0.546 54.807 55.300 0.089 0.000 0.871 524 M CB 2.242 34.892 32.600 0.083 0.000 1.740 524 M HN 0.636 nan 8.290 nan 0.000 0.464 525 A N 0.894 123.756 122.820 0.070 0.000 2.425 525 A HA 0.355 4.674 4.320 -0.001 0.000 0.249 525 A C 0.784 178.413 177.584 0.075 0.000 1.084 525 A CA -0.257 51.811 52.037 0.051 0.000 0.781 525 A CB 0.261 19.264 19.000 0.004 0.000 1.019 525 A HN 0.924 nan 8.150 nan 0.000 0.490 526 S N 0.648 116.414 115.700 0.110 0.000 2.371 526 S HA -0.008 4.462 4.470 -0.001 0.000 0.224 526 S C 0.748 175.512 174.600 0.273 0.000 1.029 526 S CA 1.508 59.839 58.200 0.219 0.000 0.978 526 S CB -0.280 63.120 63.200 0.335 0.000 0.833 526 S HN 0.956 nan 8.310 nan 0.000 0.466 527 H N 0.280 119.418 119.070 0.114 0.000 3.016 527 H HA 0.507 5.063 4.556 -0.001 0.000 0.362 527 H C -1.034 174.345 175.328 0.085 0.000 1.233 527 H CA -1.211 54.907 56.048 0.116 0.000 1.124 527 H CB 0.948 30.808 29.762 0.162 0.000 1.850 527 H HN 0.130 nan 8.280 nan 0.000 0.549 528 K N 0.990 121.452 120.400 0.103 0.000 2.117 528 K HA 0.200 4.519 4.320 -0.001 0.000 0.240 528 K C -0.621 176.033 176.600 0.091 0.000 1.031 528 K CA -0.692 55.614 56.287 0.032 0.000 0.909 528 K CB 0.609 33.130 32.500 0.035 0.000 1.097 528 K HN 0.342 nan 8.250 nan 0.000 0.492 529 D N 1.078 121.510 120.400 0.054 0.000 2.443 529 D HA 0.008 4.648 4.640 -0.001 0.000 0.239 529 D C -0.409 175.962 176.300 0.120 0.000 1.136 529 D CA 0.904 54.952 54.000 0.081 0.000 0.879 529 D CB 0.226 41.052 40.800 0.043 0.000 1.195 529 D HN 0.602 nan 8.370 nan 0.000 0.443 530 D N 1.360 121.842 120.400 0.136 0.000 2.835 530 D HA -0.155 4.484 4.640 -0.001 0.000 0.230 530 D C 0.584 176.970 176.300 0.143 0.000 1.130 530 D CA 0.860 54.930 54.000 0.117 0.000 0.738 530 D CB -0.651 40.198 40.800 0.082 0.000 1.090 530 D HN 0.599 nan 8.370 nan 0.000 0.433 531 E N -0.548 119.771 120.200 0.198 0.000 3.555 531 E HA 0.086 4.435 4.350 -0.001 0.000 0.187 531 E C 0.439 177.063 176.600 0.039 0.000 1.267 531 E CA -0.143 56.372 56.400 0.192 0.000 1.353 531 E CB 0.344 30.244 29.700 0.334 0.000 2.031 531 E HN 0.048 nan 8.360 nan 0.000 0.522 532 E N 0.890 121.002 120.200 -0.146 0.000 2.586 532 E HA -0.257 4.093 4.350 -0.001 0.000 0.259 532 E C 0.262 176.675 176.600 -0.312 0.000 1.107 532 E CA 1.452 57.528 56.400 -0.540 0.000 0.754 532 E CB -1.135 28.457 29.700 -0.179 0.000 1.335 532 E HN 0.390 nan 8.360 nan 0.000 0.411 533 K N -1.820 118.437 120.400 -0.239 0.000 2.574 533 K HA 0.161 4.481 4.320 -0.001 0.000 0.215 533 K C 0.040 176.496 176.600 -0.240 0.000 1.485 533 K CA -0.160 55.969 56.287 -0.263 0.000 1.006 533 K CB 0.208 32.477 32.500 -0.384 0.000 1.254 533 K HN 0.032 nan 8.250 nan 0.000 0.580 534 F N 3.563 123.538 119.950 0.043 0.000 2.390 534 F HA 0.361 4.888 4.527 -0.001 0.000 0.361 534 F C -0.050 175.833 175.800 0.137 0.000 1.124 534 F CA -1.313 56.730 58.000 0.072 0.000 1.149 534 F CB 0.592 39.610 39.000 0.031 0.000 1.160 534 F HN 0.014 nan 8.300 nan 0.000 0.501 535 F N 3.158 123.203 119.950 0.158 0.000 2.470 535 F HA 0.827 5.353 4.527 -0.001 0.000 0.329 535 F C -3.007 172.862 175.800 0.115 0.000 1.072 535 F CA -3.619 54.455 58.000 0.123 0.000 0.989 535 F CB 0.498 39.536 39.000 0.064 0.000 1.193 535 F HN 0.110 nan 8.300 nan 0.000 0.481 536 P HA 0.109 nan 4.420 nan 0.000 0.271 536 P C -0.455 176.719 177.300 -0.209 0.000 1.218 536 P CA -0.428 62.612 63.100 -0.100 0.000 0.780 536 P CB 0.740 32.447 31.700 0.011 0.000 0.901 537 M N 4.979 124.399 119.600 -0.300 0.000 2.734 537 M HA -0.049 4.431 4.480 -0.001 0.000 0.356 537 M C 0.925 176.892 176.300 -0.555 0.000 1.790 537 M CA 0.719 55.829 55.300 -0.317 0.000 1.231 537 M CB -1.300 31.130 32.600 -0.284 0.000 2.102 537 M HN 0.559 nan 8.290 nan 0.000 0.463 538 H N 1.166 120.341 119.070 0.174 0.000 2.690 538 H HA -0.188 4.368 4.556 -0.001 0.000 0.309 538 H C 0.427 175.837 175.328 0.137 0.000 1.138 538 H CA 0.472 56.613 56.048 0.156 0.000 1.142 538 H CB -2.194 27.633 29.762 0.108 0.000 1.410 538 H HN 0.917 nan 8.280 nan 0.000 0.409 539 G N 0.917 109.782 108.800 0.108 0.000 3.262 539 G HA2 0.107 4.067 3.960 -0.001 0.000 0.228 539 G HA3 0.107 4.067 3.960 -0.001 0.000 0.228 539 G C 0.356 175.353 174.900 0.161 0.000 1.197 539 G CA 0.325 45.497 45.100 0.121 0.000 0.819 539 G HN 0.917 nan 8.290 nan 0.000 0.531 540 N N -1.197 117.601 118.700 0.163 0.000 3.322 540 N HA 0.112 4.851 4.740 -0.001 0.000 0.233 540 N C -1.728 173.798 175.510 0.027 0.000 1.399 540 N CA -0.843 52.276 53.050 0.115 0.000 0.894 540 N CB 0.828 39.389 38.487 0.123 0.000 1.440 540 N HN -0.188 nan 8.380 nan 0.000 0.503 541 L N 0.800 121.986 121.223 -0.061 0.000 2.367 541 L HA 0.442 4.781 4.340 -0.001 0.000 0.275 541 L C 0.061 176.665 176.870 -0.443 0.000 1.129 541 L CA 0.133 54.813 54.840 -0.267 0.000 0.839 541 L CB 0.144 41.999 42.059 -0.339 0.000 1.133 541 L HN 0.473 nan 8.230 nan 0.000 0.453 542 I N 3.741 124.043 120.570 -0.447 0.000 2.389 542 I HA 0.343 4.513 4.170 -0.001 0.000 0.288 542 I C -0.662 175.188 176.117 -0.444 0.000 0.999 542 I CA -0.408 60.672 61.300 -0.368 0.000 1.129 542 I CB 1.013 38.901 38.000 -0.186 0.000 1.288 542 I HN 0.308 nan 8.210 nan 0.000 0.444 543 F N 3.083 122.988 119.950 -0.074 0.000 2.422 543 F HA 0.579 5.105 4.527 -0.001 0.000 0.333 543 F C 1.071 176.838 175.800 -0.054 0.000 1.095 543 F CA -0.642 57.327 58.000 -0.052 0.000 1.038 543 F CB 1.655 40.626 39.000 -0.049 0.000 1.156 543 F HN 0.420 nan 8.300 nan 0.000 0.483 544 G N 2.747 111.636 108.800 0.148 0.000 2.353 544 G HA2 0.337 4.296 3.960 -0.001 0.000 0.284 544 G HA3 0.337 4.296 3.960 -0.001 0.000 0.284 544 G C -0.562 174.364 174.900 0.043 0.000 1.172 544 G CA -0.742 44.394 45.100 0.060 0.000 0.854 544 G HN 0.545 nan 8.290 nan 0.000 0.485 545 K N 0.790 121.191 120.400 0.001 0.000 2.286 545 K HA 0.063 4.383 4.320 -0.001 0.000 0.256 545 K C 0.314 176.894 176.600 -0.034 0.000 0.999 545 K CA -0.177 56.089 56.287 -0.035 0.000 0.908 545 K CB 0.650 33.118 32.500 -0.054 0.000 0.981 545 K HN 0.517 nan 8.250 nan 0.000 0.500 546 E N 0.342 120.505 120.200 -0.061 0.000 2.415 546 E HA 0.082 4.432 4.350 -0.001 0.000 0.263 546 E C -0.188 176.389 176.600 -0.038 0.000 0.995 546 E CA 1.085 57.456 56.400 -0.048 0.000 0.915 546 E CB 0.309 29.963 29.700 -0.075 0.000 0.951 546 E HN 0.636 nan 8.360 nan 0.000 0.449 547 G N 3.569 112.358 108.800 -0.019 0.000 2.540 547 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.260 547 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.260 547 G C -0.451 174.437 174.900 -0.019 0.000 0.993 547 G CA 0.254 45.344 45.100 -0.017 0.000 1.327 547 G HN 0.612 nan 8.290 nan 0.000 0.485 548 T N 1.209 115.756 114.554 -0.012 0.000 3.705 548 T HA 0.433 4.782 4.350 -0.001 0.000 0.342 548 T C 0.376 175.071 174.700 -0.009 0.000 1.043 548 T CA -0.104 61.988 62.100 -0.014 0.000 1.071 548 T CB 1.195 70.053 68.868 -0.016 0.000 1.124 548 T HN 0.638 nan 8.240 nan 0.000 0.467 549 T N 2.384 116.932 114.554 -0.011 0.000 2.906 549 T HA 0.210 4.560 4.350 -0.001 0.000 0.329 549 T C 1.632 176.326 174.700 -0.011 0.000 1.091 549 T CA 0.327 62.421 62.100 -0.010 0.000 1.127 549 T CB 0.456 69.317 68.868 -0.013 0.000 1.035 549 T HN 0.758 nan 8.240 nan 0.000 0.547 550 A N 1.960 124.774 122.820 -0.011 0.000 2.206 550 A HA 0.232 4.551 4.320 -0.001 0.000 0.211 550 A C 1.396 178.967 177.584 -0.022 0.000 1.158 550 A CA 0.235 52.264 52.037 -0.014 0.000 0.761 550 A CB 0.187 19.180 19.000 -0.012 0.000 0.801 550 A HN 0.563 nan 8.150 nan 0.000 0.473 551 S N 0.359 116.046 115.700 -0.022 0.000 2.498 551 S HA 0.410 4.879 4.470 -0.001 0.000 0.324 551 S C -0.444 174.142 174.600 -0.025 0.000 1.071 551 S CA -0.672 57.513 58.200 -0.026 0.000 1.113 551 S CB -0.436 62.748 63.200 -0.026 0.000 0.976 551 S HN 0.557 nan 8.310 nan 0.000 0.462 552 N N 2.244 120.928 118.700 -0.027 0.000 2.607 552 N HA -0.201 4.538 4.740 -0.001 0.000 0.285 552 N C -0.333 175.164 175.510 -0.022 0.000 1.151 552 N CA 0.536 53.571 53.050 -0.024 0.000 0.749 552 N CB -0.540 37.933 38.487 -0.024 0.000 0.923 552 N HN 0.657 nan 8.380 nan 0.000 0.552 553 A N 0.790 123.597 122.820 -0.022 0.000 2.252 553 A HA 0.579 4.898 4.320 -0.001 0.000 0.305 553 A C 0.466 178.036 177.584 -0.024 0.000 1.097 553 A CA -0.392 51.632 52.037 -0.022 0.000 0.849 553 A CB 0.769 19.755 19.000 -0.023 0.000 1.142 553 A HN 0.463 nan 8.150 nan 0.000 0.499 554 E N -0.715 119.470 120.200 -0.025 0.000 2.374 554 E HA 0.244 4.594 4.350 -0.001 0.000 0.260 554 E C 0.842 177.422 176.600 -0.034 0.000 1.101 554 E CA -0.268 56.116 56.400 -0.026 0.000 0.907 554 E CB 0.699 30.384 29.700 -0.025 0.000 1.014 554 E HN 0.513 nan 8.360 nan 0.000 0.427 555 L N 2.074 123.277 121.223 -0.034 0.000 2.191 555 L HA -0.067 4.273 4.340 -0.001 0.000 0.212 555 L C 0.686 177.520 176.870 -0.060 0.000 1.103 555 L CA 1.807 56.617 54.840 -0.050 0.000 0.769 555 L CB -0.095 41.940 42.059 -0.040 0.000 0.908 555 L HN 0.521 nan 8.230 nan 0.000 0.438 556 D N -0.702 119.669 120.400 -0.048 0.000 2.328 556 D HA -0.003 4.637 4.640 -0.001 0.000 0.226 556 D C 0.814 177.085 176.300 -0.048 0.000 1.066 556 D CA 0.274 54.244 54.000 -0.049 0.000 0.861 556 D CB -0.017 40.758 40.800 -0.041 0.000 0.912 556 D HN 0.374 nan 8.370 nan 0.000 0.521 557 N N 0.042 118.714 118.700 -0.047 0.000 2.184 557 N HA 0.037 4.776 4.740 -0.001 0.000 0.206 557 N C -0.015 175.470 175.510 -0.041 0.000 1.151 557 N CA 0.057 53.082 53.050 -0.042 0.000 0.878 557 N CB 1.670 40.136 38.487 -0.035 0.000 1.014 557 N HN 0.072 nan 8.380 nan 0.000 0.512 558 V N -2.180 117.703 119.914 -0.051 0.000 3.074 558 V HA 0.660 4.780 4.120 -0.001 0.000 0.314 558 V C -0.411 175.649 176.094 -0.057 0.000 1.117 558 V CA -0.985 61.286 62.300 -0.049 0.000 1.014 558 V CB 2.512 34.296 31.823 -0.066 0.000 1.057 558 V HN -0.181 nan 8.190 nan 0.000 0.438 559 M N 3.280 122.863 119.600 -0.028 0.000 2.043 559 M HA 0.583 5.063 4.480 -0.001 0.000 0.322 559 M C -0.998 175.272 176.300 -0.050 0.000 0.962 559 M CA -0.145 55.144 55.300 -0.017 0.000 0.927 559 M CB 1.531 34.161 32.600 0.051 0.000 1.466 559 M HN 0.561 nan 8.290 nan 0.000 0.412 560 I N 2.601 123.098 120.570 -0.121 0.000 2.365 560 I HA 0.325 4.495 4.170 -0.001 0.000 0.291 560 I C 0.630 176.689 176.117 -0.097 0.000 1.004 560 I CA -0.661 60.534 61.300 -0.174 0.000 1.311 560 I CB 1.455 39.248 38.000 -0.345 0.000 1.401 560 I HN 0.596 nan 8.210 nan 0.000 0.491 561 T N 0.517 115.015 114.554 -0.094 0.000 2.806 561 T HA 0.279 4.629 4.350 -0.001 0.000 0.290 561 T C -0.489 174.253 174.700 0.071 0.000 0.966 561 T CA -0.839 61.223 62.100 -0.064 0.000 1.060 561 T CB 1.609 70.312 68.868 -0.275 0.000 0.927 561 T HN 0.409 nan 8.240 nan 0.000 0.485 562 D N 1.943 122.433 120.400 0.149 0.000 2.329 562 D HA 0.183 4.823 4.640 -0.001 0.000 0.232 562 D C -0.120 176.327 176.300 0.246 0.000 1.088 562 D CA -0.509 53.621 54.000 0.216 0.000 0.835 562 D CB 0.914 41.850 40.800 0.227 0.000 1.078 562 D HN 0.447 nan 8.370 nan 0.000 0.495 563 E N 3.335 123.670 120.200 0.226 0.000 2.360 563 E HA 0.058 4.408 4.350 -0.001 0.000 0.253 563 E C 0.055 176.714 176.600 0.100 0.000 1.189 563 E CA -0.055 56.453 56.400 0.181 0.000 1.252 563 E CB 0.238 30.045 29.700 0.178 0.000 1.408 563 E HN 0.656 nan 8.360 nan 0.000 0.464 564 E N -0.250 119.995 120.200 0.075 0.000 2.569 564 E HA 0.127 4.477 4.350 -0.001 0.000 0.205 564 E C 0.194 176.779 176.600 -0.025 0.000 1.006 564 E CA -0.003 56.375 56.400 -0.036 0.000 0.985 564 E CB 0.303 29.960 29.700 -0.070 0.000 1.060 564 E HN -0.035 nan 8.360 nan 0.000 0.460 565 E N 0.739 120.937 120.200 -0.004 0.000 2.431 565 E HA 0.135 4.485 4.350 -0.001 0.000 0.200 565 E C 1.480 178.071 176.600 -0.016 0.000 0.995 565 E CA 0.238 56.620 56.400 -0.029 0.000 0.915 565 E CB 0.311 29.975 29.700 -0.060 0.000 0.930 565 E HN 0.555 nan 8.360 nan 0.000 0.496 566 I N -1.979 118.595 120.570 0.006 0.000 3.858 566 I HA 0.290 4.460 4.170 -0.001 0.000 0.325 566 I C 1.028 177.169 176.117 0.039 0.000 1.403 566 I CA -0.184 61.137 61.300 0.036 0.000 1.169 566 I CB 0.183 38.213 38.000 0.050 0.000 1.077 566 I HN -0.134 nan 8.210 nan 0.000 0.403 567 R N 1.413 121.920 120.500 0.012 0.000 2.152 567 R HA -0.089 4.251 4.340 -0.001 0.000 0.232 567 R C 2.185 178.491 176.300 0.009 0.000 1.117 567 R CA 1.990 58.087 56.100 -0.004 0.000 0.981 567 R CB -0.370 29.910 30.300 -0.033 0.000 0.870 567 R HN 0.649 nan 8.270 nan 0.000 0.451 568 T N -3.213 111.355 114.554 0.024 0.000 3.067 568 T HA -0.009 4.340 4.350 -0.001 0.000 0.257 568 T C 1.709 176.400 174.700 -0.015 0.000 1.105 568 T CA 1.137 63.240 62.100 0.006 0.000 1.104 568 T CB 0.216 69.094 68.868 0.017 0.000 0.925 568 T HN 0.304 nan 8.240 nan 0.000 0.498 569 T N -1.899 112.663 114.554 0.014 0.000 2.955 569 T HA 0.317 4.667 4.350 -0.001 0.000 0.251 569 T C 0.359 175.112 174.700 0.089 0.000 1.002 569 T CA -0.539 61.573 62.100 0.020 0.000 0.970 569 T CB -0.270 68.600 68.868 0.003 0.000 1.091 569 T HN 0.383 nan 8.240 nan 0.000 0.495 570 N N 2.199 120.951 118.700 0.085 0.000 2.319 570 N HA 0.573 5.313 4.740 -0.001 0.000 0.305 570 N C -3.132 172.422 175.510 0.074 0.000 1.103 570 N CA -2.017 51.096 53.050 0.105 0.000 0.815 570 N CB 2.020 40.574 38.487 0.112 0.000 1.288 570 N HN 0.058 nan 8.380 nan 0.000 0.493 571 P HA 0.054 nan 4.420 nan 0.000 0.272 571 P C -0.673 176.665 177.300 0.063 0.000 1.223 571 P CA -0.376 62.770 63.100 0.077 0.000 0.784 571 P CB 0.617 32.421 31.700 0.174 0.000 0.923 572 V N 1.976 121.912 119.914 0.037 0.000 2.572 572 V HA 0.115 4.234 4.120 -0.001 0.000 0.291 572 V C 1.719 177.838 176.094 0.042 0.000 1.039 572 V CA 0.532 62.852 62.300 0.033 0.000 1.055 572 V CB -0.034 31.797 31.823 0.014 0.000 0.969 572 V HN 0.721 nan 8.190 nan 0.000 0.482 573 A N 4.253 127.103 122.820 0.051 0.000 1.908 573 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 573 A C 2.254 179.844 177.584 0.009 0.000 1.181 573 A CA 2.401 54.465 52.037 0.045 0.000 0.627 573 A CB -0.694 18.342 19.000 0.060 0.000 0.818 573 A HN 1.016 nan 8.150 nan 0.000 0.445 574 T N -2.698 111.855 114.554 -0.002 0.000 3.009 574 T HA 0.073 4.422 4.350 -0.001 0.000 0.258 574 T C 0.814 175.484 174.700 -0.051 0.000 1.063 574 T CA 0.392 62.467 62.100 -0.041 0.000 1.139 574 T CB -0.204 68.632 68.868 -0.053 0.000 0.890 574 T HN 0.392 nan 8.240 nan 0.000 0.471 575 E N 2.374 122.554 120.200 -0.032 0.000 2.397 575 E HA 0.174 4.524 4.350 -0.001 0.000 0.254 575 E C 0.603 177.193 176.600 -0.017 0.000 1.231 575 E CA -0.208 56.171 56.400 -0.036 0.000 0.954 575 E CB 0.474 30.157 29.700 -0.028 0.000 1.024 575 E HN 0.769 nan 8.360 nan 0.000 0.481 576 Q N -0.350 119.440 119.800 -0.016 0.000 2.492 576 Q HA 0.016 4.356 4.340 -0.001 0.000 0.184 576 Q C 0.680 176.725 176.000 0.075 0.000 1.126 576 Q CA -0.039 55.773 55.803 0.015 0.000 1.196 576 Q CB 0.117 28.855 28.738 -0.000 0.000 1.240 576 Q HN 0.610 nan 8.270 nan 0.000 0.651 577 Y N -1.537 118.740 120.300 -0.038 0.000 2.609 577 Y HA 0.429 4.979 4.550 -0.001 0.000 0.281 577 Y C 0.536 176.424 175.900 -0.020 0.000 1.132 577 Y CA 1.082 59.166 58.100 -0.026 0.000 1.264 577 Y CB 1.219 39.663 38.460 -0.027 0.000 1.325 577 Y HN 0.865 nan 8.280 nan 0.000 0.514 578 G N -0.983 107.828 108.800 0.018 0.000 2.399 578 G HA2 0.307 4.267 3.960 -0.001 0.000 0.256 578 G HA3 0.307 4.267 3.960 -0.001 0.000 0.256 578 G C -1.432 173.477 174.900 0.015 0.000 1.236 578 G CA -0.379 44.686 45.100 -0.058 0.000 0.914 578 G HN -0.065 nan 8.290 nan 0.000 0.482 579 T N 0.087 114.643 114.554 0.004 0.000 2.829 579 T HA 0.678 5.027 4.350 -0.001 0.000 0.280 579 T C -0.663 174.054 174.700 0.029 0.000 0.999 579 T CA -0.320 61.787 62.100 0.012 0.000 0.983 579 T CB 1.717 70.583 68.868 -0.005 0.000 0.968 579 T HN 0.831 nan 8.240 nan 0.000 0.446 580 V N 1.675 121.605 119.914 0.028 0.000 2.789 580 V HA 0.805 4.924 4.120 -0.001 0.000 0.311 580 V C 0.110 176.215 176.094 0.017 0.000 1.073 580 V CA -1.305 61.013 62.300 0.029 0.000 0.921 580 V CB 1.826 33.670 31.823 0.035 0.000 1.009 580 V HN 1.089 nan 8.190 nan 0.000 0.426 581 A N 3.051 125.881 122.820 0.017 0.000 2.322 581 A HA 0.705 5.025 4.320 -0.001 0.000 0.269 581 A C 0.411 178.001 177.584 0.010 0.000 1.094 581 A CA -0.305 51.739 52.037 0.012 0.000 0.807 581 A CB 0.174 19.183 19.000 0.014 0.000 1.047 581 A HN 1.094 nan 8.150 nan 0.000 0.487 582 N N 1.193 119.897 118.700 0.006 0.000 2.604 582 N HA 0.125 4.865 4.740 -0.001 0.000 0.284 582 N C -1.238 174.274 175.510 0.003 0.000 1.716 582 N CA -0.404 52.648 53.050 0.004 0.000 0.859 582 N CB 0.112 38.600 38.487 0.002 0.000 1.403 582 N HN 0.743 nan 8.380 nan 0.000 0.501 583 N N -0.249 118.453 118.700 0.004 0.000 3.322 583 N HA 0.146 4.886 4.740 -0.001 0.000 0.233 583 N C -1.741 173.772 175.510 0.005 0.000 1.399 583 N CA -0.580 52.472 53.050 0.004 0.000 0.894 583 N CB 0.601 39.089 38.487 0.002 0.000 1.440 583 N HN 0.049 nan 8.380 nan 0.000 0.503 584 L N 1.556 122.781 121.223 0.005 0.000 2.353 584 L HA 0.247 4.587 4.340 -0.001 0.000 0.269 584 L C 0.403 177.276 176.870 0.005 0.000 1.085 584 L CA -0.846 53.998 54.840 0.006 0.000 0.938 584 L CB 0.227 42.290 42.059 0.006 0.000 1.312 584 L HN 0.622 nan 8.230 nan 0.000 0.429 585 Q N 2.562 122.365 119.800 0.005 0.000 2.386 585 Q HA 0.418 4.757 4.340 -0.001 0.000 0.282 585 Q C -0.001 176.001 176.000 0.003 0.000 1.050 585 Q CA -0.044 55.761 55.803 0.003 0.000 0.918 585 Q CB 1.178 29.918 28.738 0.003 0.000 1.266 585 Q HN 0.586 nan 8.270 nan 0.000 0.423 586 S N 0.132 115.833 115.700 0.000 0.000 2.694 586 S HA 0.339 4.809 4.470 -0.001 0.000 0.273 586 S C 0.408 175.007 174.600 -0.002 0.000 1.180 586 S CA -0.336 57.864 58.200 -0.000 0.000 0.864 586 S CB 0.069 63.270 63.200 0.001 0.000 1.198 586 S HN 0.958 nan 8.310 nan 0.000 0.499 587 S N 1.174 116.872 115.700 -0.003 0.000 2.419 587 S HA -0.105 4.364 4.470 -0.001 0.000 0.233 587 S C 1.188 175.786 174.600 -0.004 0.000 1.016 587 S CA 1.293 59.491 58.200 -0.004 0.000 0.974 587 S CB -0.870 62.328 63.200 -0.004 0.000 0.786 587 S HN 0.639 nan 8.310 nan 0.000 0.492 588 N N 1.216 119.915 118.700 -0.003 0.000 2.395 588 N HA 0.092 4.831 4.740 -0.001 0.000 0.175 588 N C -0.117 175.391 175.510 -0.003 0.000 1.029 588 N CA 0.756 53.804 53.050 -0.002 0.000 0.897 588 N CB 0.044 38.530 38.487 -0.002 0.000 0.991 588 N HN 0.385 nan 8.380 nan 0.000 0.441 589 T N 0.393 114.945 114.554 -0.002 0.000 2.841 589 T HA 0.619 4.969 4.350 -0.001 0.000 0.283 589 T C -0.465 174.233 174.700 -0.003 0.000 1.000 589 T CA -0.746 61.353 62.100 -0.002 0.000 0.977 589 T CB 2.461 71.329 68.868 -0.001 0.000 0.979 589 T HN 0.090 nan 8.240 nan 0.000 0.446 590 A N 4.739 127.557 122.820 -0.003 0.000 2.331 590 A HA 0.673 4.993 4.320 -0.001 0.000 0.283 590 A C -2.241 175.342 177.584 -0.003 0.000 1.142 590 A CA -1.665 50.370 52.037 -0.004 0.000 0.812 590 A CB -0.182 18.815 19.000 -0.005 0.000 1.074 590 A HN 0.558 nan 8.150 nan 0.000 0.497 591 P HA 0.108 nan 4.420 nan 0.000 0.264 591 P C -0.391 176.908 177.300 -0.002 0.000 1.193 591 P CA 0.498 63.598 63.100 -0.001 0.000 0.763 591 P CB 0.414 32.114 31.700 -0.000 0.000 0.810 592 T N 2.252 116.805 114.554 -0.001 0.000 2.855 592 T HA 0.419 4.768 4.350 -0.001 0.000 0.281 592 T C 0.031 174.730 174.700 -0.001 0.000 1.007 592 T CA -0.280 61.819 62.100 -0.002 0.000 1.009 592 T CB 1.186 70.052 68.868 -0.003 0.000 0.983 592 T HN 0.232 nan 8.240 nan 0.000 0.455 593 T N 3.115 117.667 114.554 -0.003 0.000 2.856 593 T HA 0.558 4.907 4.350 -0.001 0.000 0.283 593 T C -0.478 174.220 174.700 -0.004 0.000 1.008 593 T CA -0.767 61.332 62.100 -0.002 0.000 0.997 593 T CB 1.088 69.953 68.868 -0.004 0.000 0.992 593 T HN 0.266 nan 8.240 nan 0.000 0.454 594 R N 2.134 122.634 120.500 -0.000 0.000 2.480 594 R HA 0.363 4.702 4.340 -0.001 0.000 0.306 594 R C -0.931 175.371 176.300 0.003 0.000 0.958 594 R CA -0.472 55.627 56.100 -0.002 0.000 0.861 594 R CB 1.381 31.680 30.300 -0.000 0.000 1.171 594 R HN 0.616 nan 8.270 nan 0.000 0.445 595 T N 3.676 118.227 114.554 -0.005 0.000 2.738 595 T HA 0.054 4.403 4.350 -0.001 0.000 0.293 595 T C 0.046 174.750 174.700 0.006 0.000 0.913 595 T CA -0.054 62.045 62.100 -0.001 0.000 1.103 595 T CB 0.536 69.395 68.868 -0.016 0.000 0.880 595 T HN 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.475 125.411 119.914 0.038 0.000 2.455 596 V HA 0.221 4.340 4.120 -0.001 0.000 0.273 596 V C 0.571 176.684 176.094 0.032 0.000 1.045 596 V CA -0.156 62.169 62.300 0.043 0.000 0.976 596 V CB 0.439 32.326 31.823 0.105 0.000 0.993 596 V HN 0.804 nan 8.190 nan 0.000 0.475 597 N N 4.345 123.024 118.700 -0.035 0.000 2.294 597 N HA 0.158 4.897 4.740 -0.001 0.000 0.186 597 N C -0.426 175.004 175.510 -0.134 0.000 1.107 597 N CA 0.186 53.190 53.050 -0.076 0.000 0.884 597 N CB 0.599 39.021 38.487 -0.110 0.000 1.030 597 N HN 0.809 nan 8.380 nan 0.000 0.482 598 D N 0.591 120.910 120.400 -0.135 0.000 2.855 598 D HA 0.194 4.834 4.640 -0.001 0.000 0.241 598 D C -1.509 174.676 176.300 -0.191 0.000 1.277 598 D CA -0.363 53.548 54.000 -0.148 0.000 0.918 598 D CB 1.419 42.154 40.800 -0.108 0.000 1.462 598 D HN -0.256 nan 8.370 nan 0.000 0.559 599 Q N 2.741 122.366 119.800 -0.292 0.000 2.309 599 Q HA 0.652 4.992 4.340 -0.001 0.000 0.270 599 Q C 0.102 175.923 176.000 -0.298 0.000 1.023 599 Q CA -0.740 54.815 55.803 -0.413 0.000 0.758 599 Q CB 1.633 29.786 28.738 -0.975 0.000 1.247 599 Q HN 0.525 nan 8.270 nan 0.000 0.455 600 G N 2.073 110.742 108.800 -0.219 0.000 2.479 600 G HA2 0.463 4.422 3.960 -0.001 0.000 0.275 600 G HA3 0.463 4.422 3.960 -0.001 0.000 0.275 600 G C -0.476 174.277 174.900 -0.244 0.000 1.421 600 G CA -0.091 44.876 45.100 -0.222 0.000 1.059 600 G HN 0.828 nan 8.290 nan 0.000 0.535 601 A N -1.509 121.157 122.820 -0.257 0.000 2.304 601 A HA 0.715 5.035 4.320 -0.001 0.000 0.271 601 A C -0.405 177.156 177.584 -0.037 0.000 1.091 601 A CA -0.218 51.705 52.037 -0.189 0.000 0.812 601 A CB 0.498 19.334 19.000 -0.274 0.000 1.056 601 A HN 0.575 nan 8.150 nan 0.000 0.489 602 L N 0.891 122.154 121.223 0.067 0.000 2.482 602 L HA 0.361 4.701 4.340 -0.001 0.000 0.263 602 L C -2.587 174.387 176.870 0.173 0.000 0.957 602 L CA -1.847 53.056 54.840 0.105 0.000 0.836 602 L CB 2.645 44.763 42.059 0.098 0.000 1.324 602 L HN 0.429 nan 8.230 nan 0.000 0.406 603 P HA 0.164 nan 4.420 nan 0.000 0.259 603 P C 0.672 178.079 177.300 0.179 0.000 1.211 603 P CA 0.684 63.882 63.100 0.163 0.000 0.810 603 P CB 0.454 32.222 31.700 0.113 0.000 0.815 604 G N 2.365 111.317 108.800 0.254 0.000 2.227 604 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.168 604 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.168 604 G C 0.132 175.266 174.900 0.391 0.000 1.006 604 G CA -0.605 44.693 45.100 0.329 0.000 0.684 604 G HN 0.398 nan 8.290 nan 0.000 0.489 605 M N 1.338 121.146 119.600 0.347 0.000 2.233 605 M HA 0.521 5.001 4.480 -0.001 0.000 0.350 605 M C 0.471 177.003 176.300 0.386 0.000 1.176 605 M CA -0.211 55.317 55.300 0.380 0.000 1.150 605 M CB 1.541 34.378 32.600 0.395 0.000 1.530 605 M HN 0.481 nan 8.290 nan 0.000 0.459 606 V N 0.861 120.959 119.914 0.307 0.000 2.686 606 V HA 0.835 4.955 4.120 -0.001 0.000 0.306 606 V C -1.608 174.608 176.094 0.203 0.000 1.065 606 V CA -0.679 61.668 62.300 0.078 0.000 0.894 606 V CB 1.207 32.940 31.823 -0.150 0.000 1.004 606 V HN 1.076 nan 8.190 nan 0.000 0.424 607 W N 2.456 123.733 121.300 -0.038 0.000 3.029 607 W HA 0.886 5.546 4.660 -0.001 0.000 0.339 607 W C -1.017 175.482 176.519 -0.034 0.000 1.198 607 W CA -1.064 56.262 57.345 -0.031 0.000 1.148 607 W CB 1.773 31.221 29.460 -0.020 0.000 1.451 607 W HN 0.685 nan 8.180 nan 0.000 0.564 608 Q N 1.966 121.872 119.800 0.176 0.000 2.274 608 Q HA 0.308 4.648 4.340 -0.001 0.000 0.260 608 Q C -0.401 175.718 176.000 0.198 0.000 0.974 608 Q CA -0.264 55.585 55.803 0.076 0.000 0.876 608 Q CB 1.323 30.089 28.738 0.046 0.000 1.297 608 Q HN 0.410 nan 8.270 nan 0.000 0.446 609 D N 1.057 121.542 120.400 0.141 0.000 2.414 609 D HA 0.204 4.844 4.640 -0.001 0.000 0.259 609 D C 0.484 176.874 176.300 0.149 0.000 1.269 609 D CA -0.193 53.934 54.000 0.211 0.000 1.028 609 D CB 0.603 41.538 40.800 0.225 0.000 1.093 609 D HN 0.464 nan 8.370 nan 0.000 0.545 610 R N -0.302 120.303 120.500 0.175 0.000 3.213 610 R HA 0.246 4.585 4.340 -0.001 0.000 0.188 610 R C -0.267 176.141 176.300 0.181 0.000 0.931 610 R CA 0.079 56.282 56.100 0.172 0.000 1.218 610 R CB 0.025 30.439 30.300 0.190 0.000 0.742 610 R HN 0.424 nan 8.270 nan 0.000 0.484 611 D N -0.842 119.655 120.400 0.161 0.000 2.581 611 D HA 0.318 4.957 4.640 -0.001 0.000 0.232 611 D C -1.632 174.555 176.300 -0.190 0.000 1.143 611 D CA -0.557 53.458 54.000 0.024 0.000 0.881 611 D CB 1.983 42.684 40.800 -0.166 0.000 1.500 611 D HN 0.243 nan 8.370 nan 0.000 0.458 612 V N 0.160 119.829 119.914 -0.409 0.000 2.483 612 V HA 0.693 4.813 4.120 -0.001 0.000 0.295 612 V C -1.079 174.839 176.094 -0.293 0.000 1.035 612 V CA -0.490 61.658 62.300 -0.252 0.000 0.896 612 V CB 0.758 32.395 31.823 -0.309 0.000 0.986 612 V HN 0.439 nan 8.190 nan 0.000 0.447 613 Y N 2.726 123.133 120.300 0.179 0.000 2.549 613 Y HA 0.580 5.130 4.550 -0.001 0.000 0.339 613 Y C 0.858 176.587 175.900 -0.285 0.000 1.053 613 Y CA -1.077 57.079 58.100 0.093 0.000 1.105 613 Y CB 1.516 40.062 38.460 0.144 0.000 1.258 613 Y HN 0.587 nan 8.280 nan 0.000 0.478 614 L N 1.412 122.284 121.223 -0.585 0.000 2.151 614 L HA -0.244 4.096 4.340 -0.001 0.000 0.215 614 L C 1.710 178.361 176.870 -0.366 0.000 1.084 614 L CA 2.053 56.192 54.840 -1.167 0.000 0.764 614 L CB -0.437 41.006 42.059 -1.026 0.000 0.891 614 L HN 0.826 nan 8.230 nan 0.000 0.435 615 Q N -1.388 118.300 119.800 -0.186 0.000 2.179 615 Q HA 0.305 4.644 4.340 -0.001 0.000 0.213 615 Q C 0.663 176.683 176.000 0.034 0.000 0.833 615 Q CA 0.376 56.168 55.803 -0.018 0.000 0.990 615 Q CB -0.303 28.283 28.738 -0.254 0.000 1.132 615 Q HN 0.363 nan 8.270 nan 0.000 0.493 616 G N 2.280 111.237 108.800 0.260 0.000 2.547 616 G HA2 0.478 4.438 3.960 -0.001 0.000 0.291 616 G HA3 0.478 4.438 3.960 -0.001 0.000 0.291 616 G C -2.717 172.376 174.900 0.321 0.000 1.211 616 G CA -1.252 44.140 45.100 0.487 0.000 0.950 616 G HN 0.059 nan 8.290 nan 0.000 0.504 617 P HA 0.184 nan 4.420 nan 0.000 0.270 617 P C 0.434 177.701 177.300 -0.056 0.000 1.223 617 P CA -0.152 62.950 63.100 0.003 0.000 0.785 617 P CB 1.012 32.724 31.700 0.019 0.000 0.923 618 I N -1.048 119.350 120.570 -0.287 0.000 2.900 618 I HA 0.181 4.351 4.170 -0.001 0.000 0.251 618 I C 0.677 176.982 176.117 0.312 0.000 1.102 618 I CA 0.556 61.748 61.300 -0.179 0.000 1.457 618 I CB -0.295 37.645 38.000 -0.100 0.000 1.285 618 I HN 0.445 nan 8.210 nan 0.000 0.459 619 W N 1.049 122.468 121.300 0.197 0.000 3.207 619 W HA 0.827 5.487 4.660 -0.000 0.000 0.326 619 W C -1.201 175.430 176.519 0.187 0.000 1.190 619 W CA -1.216 56.281 57.345 0.254 0.000 1.011 619 W CB 0.823 30.473 29.460 0.317 0.000 1.511 619 W HN -0.069 nan 8.180 nan 0.000 0.606 620 A N 1.327 124.427 122.820 0.468 0.000 2.555 620 A HA 0.450 4.769 4.320 -0.001 0.000 0.297 620 A C -1.553 176.177 177.584 0.243 0.000 1.060 620 A CA -1.092 51.119 52.037 0.289 0.000 0.710 620 A CB 1.471 20.566 19.000 0.159 0.000 1.282 620 A HN 0.699 nan 8.150 nan 0.000 0.399 621 K N 3.539 124.030 120.400 0.152 0.000 2.315 621 K HA 0.364 4.683 4.320 -0.001 0.000 0.291 621 K C -0.482 176.068 176.600 -0.084 0.000 1.074 621 K CA -0.271 55.945 56.287 -0.118 0.000 0.936 621 K CB -0.241 31.971 32.500 -0.481 0.000 1.049 621 K HN 0.615 nan 8.250 nan 0.000 0.471 622 I N 7.580 128.075 120.570 -0.125 0.000 2.742 622 I HA -0.043 4.127 4.170 -0.001 0.000 0.287 622 I C -1.780 174.249 176.117 -0.147 0.000 1.186 622 I CA -1.576 59.628 61.300 -0.160 0.000 1.417 622 I CB 0.098 37.924 38.000 -0.290 0.000 1.377 622 I HN 0.473 nan 8.210 nan 0.000 0.556 623 P HA -0.094 nan 4.420 nan 0.000 0.265 623 P C -0.542 176.820 177.300 0.103 0.000 1.187 623 P CA 0.166 63.293 63.100 0.046 0.000 0.766 623 P CB 0.282 32.036 31.700 0.090 0.000 0.820 624 H N 1.784 120.873 119.070 0.032 0.000 2.982 624 H HA 0.271 4.826 4.556 -0.001 0.000 0.261 624 H C 0.251 175.634 175.328 0.092 0.000 1.603 624 H CA 0.011 56.095 56.048 0.060 0.000 1.398 624 H CB -0.542 29.221 29.762 0.001 0.000 1.693 624 H HN 0.323 nan 8.280 nan 0.000 0.535 625 T N -0.667 113.898 114.554 0.018 0.000 2.870 625 T HA 0.148 4.498 4.350 -0.001 0.000 0.277 625 T C 1.002 175.559 174.700 -0.239 0.000 1.000 625 T CA -0.899 61.161 62.100 -0.065 0.000 0.982 625 T CB 1.172 70.018 68.868 -0.037 0.000 1.249 625 T HN 0.233 nan 8.240 nan 0.000 0.589 626 D N 0.416 120.703 120.400 -0.188 0.000 2.224 626 D HA 0.200 4.839 4.640 -0.001 0.000 0.205 626 D C 0.879 176.993 176.300 -0.309 0.000 0.965 626 D CA 1.096 54.980 54.000 -0.194 0.000 0.852 626 D CB -0.165 40.573 40.800 -0.102 0.000 0.947 626 D HN 0.826 nan 8.370 nan 0.000 0.494 627 G N -0.642 107.893 108.800 -0.443 0.000 2.746 627 G HA2 0.496 4.455 3.960 -0.001 0.000 0.297 627 G HA3 0.496 4.455 3.960 -0.001 0.000 0.297 627 G C -1.341 173.203 174.900 -0.593 0.000 1.426 627 G CA -0.688 44.125 45.100 -0.479 0.000 0.989 627 G HN 0.027 nan 8.290 nan 0.000 0.520 628 H N 1.324 120.407 119.070 0.021 0.000 2.928 628 H HA 0.512 5.067 4.556 -0.001 0.000 0.371 628 H C -0.428 174.980 175.328 0.133 0.000 1.186 628 H CA -0.685 55.397 56.048 0.057 0.000 1.134 628 H CB 2.525 32.295 29.762 0.013 0.000 1.824 628 H HN 0.409 nan 8.280 nan 0.000 0.554 629 F N 0.850 120.893 119.950 0.154 0.000 2.324 629 F HA 0.092 4.619 4.527 -0.001 0.000 0.260 629 F C 0.832 176.768 175.800 0.227 0.000 1.073 629 F CA 0.694 58.784 58.000 0.150 0.000 1.073 629 F CB 0.344 39.408 39.000 0.106 0.000 1.114 629 F HN 0.514 nan 8.300 nan 0.000 0.588 630 H N 1.953 121.035 119.070 0.021 0.000 2.439 630 H HA 0.345 4.901 4.556 -0.001 0.000 0.239 630 H C -2.385 173.026 175.328 0.138 0.000 1.432 630 H CA -2.148 53.892 56.048 -0.014 0.000 1.373 630 H CB 0.238 30.111 29.762 0.186 0.000 1.463 630 H HN 0.068 nan 8.280 nan 0.000 0.530 631 P HA -0.009 nan 4.420 nan 0.000 0.235 631 P C -0.380 176.915 177.300 -0.007 0.000 1.670 631 P CA 0.323 63.416 63.100 -0.013 0.000 1.017 631 P CB -0.336 31.288 31.700 -0.127 0.000 1.945 632 S N 1.902 117.667 115.700 0.108 0.000 2.437 632 S HA 0.503 4.972 4.470 -0.001 0.000 0.305 632 S C -2.499 172.192 174.600 0.152 0.000 1.109 632 S CA -2.108 56.180 58.200 0.146 0.000 1.099 632 S CB 0.271 63.632 63.200 0.267 0.000 1.004 632 S HN -0.025 nan 8.310 nan 0.000 0.475 633 P HA 0.033 nan 4.420 nan 0.000 0.258 633 P C 0.720 178.091 177.300 0.120 0.000 1.172 633 P CA 0.205 63.373 63.100 0.113 0.000 0.762 633 P CB 0.281 32.048 31.700 0.112 0.000 0.764 634 L N 2.440 123.727 121.223 0.107 0.000 2.127 634 L HA -0.167 4.173 4.340 -0.001 0.000 0.211 634 L C 2.065 179.003 176.870 0.112 0.000 1.089 634 L CA 1.568 56.472 54.840 0.106 0.000 0.757 634 L CB -0.416 41.692 42.059 0.082 0.000 0.899 634 L HN 0.489 nan 8.230 nan 0.000 0.434 635 M N -0.862 118.800 119.600 0.103 0.000 2.619 635 M HA 0.140 4.620 4.480 -0.001 0.000 0.251 635 M C 0.727 177.114 176.300 0.144 0.000 1.106 635 M CA 0.504 55.869 55.300 0.109 0.000 1.086 635 M CB -0.018 32.630 32.600 0.080 0.000 1.465 635 M HN 0.336 nan 8.290 nan 0.000 0.506 636 G N -0.142 108.737 108.800 0.131 0.000 2.674 636 G HA2 0.291 4.251 3.960 -0.001 0.000 0.686 636 G HA3 0.291 4.251 3.960 -0.001 0.000 0.686 636 G C -0.366 174.578 174.900 0.074 0.000 1.195 636 G CA -0.628 44.543 45.100 0.119 0.000 0.776 636 G HN 0.732 nan 8.290 nan 0.000 0.654 637 G N -0.551 108.223 108.800 -0.043 0.000 2.297 637 G HA2 0.451 4.411 3.960 -0.001 0.000 0.209 637 G HA3 0.451 4.411 3.960 -0.001 0.000 0.209 637 G C -0.650 174.077 174.900 -0.288 0.000 1.267 637 G CA -0.080 44.904 45.100 -0.192 0.000 1.127 637 G HN 1.625 nan 8.290 nan 0.000 0.498 638 F N 1.966 122.056 119.950 0.234 0.000 2.388 638 F HA 0.568 5.095 4.527 -0.001 0.000 0.358 638 F C 1.130 177.043 175.800 0.188 0.000 1.122 638 F CA 0.069 58.180 58.000 0.185 0.000 1.056 638 F CB 2.016 41.115 39.000 0.166 0.000 1.155 638 F HN 0.712 nan 8.300 nan 0.000 0.461 639 G N 5.178 114.133 108.800 0.259 0.000 2.360 639 G HA2 0.515 4.475 3.960 -0.001 0.000 0.279 639 G HA3 0.515 4.475 3.960 -0.001 0.000 0.279 639 G C -0.822 174.149 174.900 0.117 0.000 1.189 639 G CA -0.416 44.775 45.100 0.152 0.000 0.941 639 G HN 0.579 nan 8.290 nan 0.000 0.445 640 L N 3.116 124.400 121.223 0.101 0.000 2.356 640 L HA 0.360 4.699 4.340 -0.001 0.000 0.277 640 L C 1.157 177.947 176.870 -0.133 0.000 0.996 640 L CA -1.114 53.748 54.840 0.038 0.000 0.822 640 L CB 2.219 44.352 42.059 0.125 0.000 1.256 640 L HN 0.425 nan 8.230 nan 0.000 0.413 641 K N 1.036 121.311 120.400 -0.208 0.000 2.026 641 K HA -0.035 4.284 4.320 -0.001 0.000 0.208 641 K C 0.323 176.467 176.600 -0.760 0.000 1.048 641 K CA 1.353 57.359 56.287 -0.468 0.000 0.929 641 K CB 0.043 32.266 32.500 -0.461 0.000 0.713 641 K HN 0.540 nan 8.250 nan 0.000 0.439 642 H N 0.581 119.526 119.070 -0.208 0.000 2.645 642 H HA 0.312 4.867 4.556 -0.001 0.000 0.257 642 H C -2.413 172.915 175.328 0.001 0.000 1.269 642 H CA -2.230 53.666 56.048 -0.253 0.000 1.409 642 H CB 1.148 30.908 29.762 -0.004 0.000 1.434 642 H HN 0.058 nan 8.280 nan 0.000 0.505 643 P HA 0.195 nan 4.420 nan 0.000 0.281 643 P C -2.647 174.447 177.300 -0.343 0.000 1.264 643 P CA -2.154 60.843 63.100 -0.171 0.000 0.824 643 P CB 0.267 31.893 31.700 -0.124 0.000 1.092 644 P HA -0.031 nan 4.420 nan 0.000 0.251 644 P C -2.007 175.097 177.300 -0.327 0.000 1.154 644 P CA -0.083 62.317 63.100 -1.166 0.000 0.805 644 P CB -1.279 29.734 31.700 -1.144 0.000 0.759 645 P HA -0.073 nan 4.420 nan 0.000 0.270 645 P C -0.305 176.864 177.300 -0.218 0.000 1.221 645 P CA 0.292 63.286 63.100 -0.176 0.000 0.788 645 P CB 0.656 32.129 31.700 -0.379 0.000 0.904 646 Q N 0.502 120.145 119.800 -0.262 0.000 2.286 646 Q HA 0.344 4.684 4.340 -0.001 0.000 0.257 646 Q C -0.457 175.202 176.000 -0.568 0.000 0.941 646 Q CA -0.387 55.174 55.803 -0.404 0.000 0.912 646 Q CB 0.293 28.744 28.738 -0.479 0.000 1.192 646 Q HN 0.314 nan 8.270 nan 0.000 0.410 647 I N 3.109 123.379 120.570 -0.500 0.000 2.307 647 I HA 0.199 4.369 4.170 -0.001 0.000 0.289 647 I C -0.419 175.452 176.117 -0.409 0.000 1.021 647 I CA -0.148 60.811 61.300 -0.569 0.000 1.224 647 I CB 0.805 38.403 38.000 -0.670 0.000 1.376 647 I HN 0.499 nan 8.210 nan 0.000 0.470 648 M N 6.647 125.839 119.600 -0.679 0.000 2.359 648 M HA 0.610 5.089 4.480 -0.001 0.000 0.322 648 M C -0.739 175.526 176.300 -0.057 0.000 1.166 648 M CA -0.355 54.662 55.300 -0.471 0.000 1.067 648 M CB 1.442 33.413 32.600 -1.048 0.000 1.523 648 M HN 0.494 nan 8.290 nan 0.000 0.467 649 I N 2.259 122.963 120.570 0.224 0.000 2.775 649 I HA 0.685 4.854 4.170 -0.001 0.000 0.295 649 I C -1.844 174.303 176.117 0.049 0.000 1.287 649 I CA -0.235 61.149 61.300 0.139 0.000 1.029 649 I CB 1.696 39.658 38.000 -0.063 0.000 1.282 649 I HN 0.683 nan 8.210 nan 0.000 0.426 650 K N 3.455 123.733 120.400 -0.203 0.000 2.598 650 K HA 0.548 4.868 4.320 -0.001 0.000 0.271 650 K C -2.010 174.413 176.600 -0.295 0.000 0.947 650 K CA -0.698 55.337 56.287 -0.419 0.000 0.854 650 K CB 0.608 32.426 32.500 -1.137 0.000 1.401 650 K HN 0.327 nan 8.250 nan 0.000 0.415 651 N N 1.189 119.782 118.700 -0.179 0.000 2.442 651 N HA 0.176 4.916 4.740 -0.001 0.000 0.265 651 N C -0.869 174.564 175.510 -0.128 0.000 1.138 651 N CA -0.315 52.681 53.050 -0.090 0.000 0.956 651 N CB 1.083 39.565 38.487 -0.009 0.000 1.067 651 N HN 0.655 nan 8.380 nan 0.000 0.474 652 T N 4.074 118.554 114.554 -0.122 0.000 2.829 652 T HA 0.100 4.450 4.350 -0.001 0.000 0.293 652 T C -2.187 172.391 174.700 -0.203 0.000 0.970 652 T CA -0.597 61.412 62.100 -0.151 0.000 1.168 652 T CB 0.074 68.888 68.868 -0.090 0.000 0.911 652 T HN 0.285 nan 8.240 nan 0.000 0.535 653 P HA 0.137 nan 4.420 nan 0.000 0.263 653 P C -0.820 176.260 177.300 -0.367 0.000 1.195 653 P CA -0.141 62.495 63.100 -0.773 0.000 0.762 653 P CB 0.379 31.417 31.700 -1.102 0.000 0.799 654 V N 7.244 127.042 119.914 -0.194 0.000 2.334 654 V HA 0.266 4.386 4.120 -0.001 0.000 0.281 654 V C -2.111 174.113 176.094 0.217 0.000 1.016 654 V CA -2.158 60.148 62.300 0.011 0.000 0.832 654 V CB 1.461 33.300 31.823 0.027 0.000 0.999 654 V HN 0.454 nan 8.190 nan 0.000 0.439 655 P HA 0.139 nan 4.420 nan 0.000 0.263 655 P C 0.237 177.627 177.300 0.151 0.000 1.195 655 P CA 0.458 63.626 63.100 0.114 0.000 0.762 655 P CB 0.686 32.200 31.700 -0.311 0.000 0.799 656 A N 4.367 127.318 122.820 0.218 0.000 2.404 656 A HA 0.036 4.355 4.320 -0.001 0.000 0.258 656 A C 0.724 178.401 177.584 0.155 0.000 1.644 656 A CA -0.055 52.075 52.037 0.155 0.000 0.847 656 A CB -0.348 18.720 19.000 0.115 0.000 1.473 656 A HN 0.596 nan 8.150 nan 0.000 0.602 657 N N 0.804 119.567 118.700 0.105 0.000 2.470 657 N HA 0.300 5.039 4.740 -0.001 0.000 0.268 657 N C -2.605 172.974 175.510 0.115 0.000 1.136 657 N CA -0.884 52.221 53.050 0.091 0.000 0.961 657 N CB 0.311 38.827 38.487 0.048 0.000 1.067 657 N HN 0.236 nan 8.380 nan 0.000 0.468 658 P HA 0.487 nan 4.420 nan 0.000 0.287 658 P C -2.633 174.714 177.300 0.077 0.000 1.270 658 P CA -1.252 61.950 63.100 0.169 0.000 0.844 658 P CB 0.289 32.122 31.700 0.221 0.000 1.068 659 P HA 0.230 nan 4.420 nan 0.000 0.277 659 P C 0.531 177.862 177.300 0.052 0.000 1.240 659 P CA -0.204 62.910 63.100 0.023 0.000 0.798 659 P CB 0.335 32.026 31.700 -0.015 0.000 0.979 660 T N -1.232 113.348 114.554 0.042 0.000 3.035 660 T HA -0.028 4.322 4.350 -0.001 0.000 0.268 660 T C 0.912 175.653 174.700 0.068 0.000 1.109 660 T CA 1.243 63.374 62.100 0.052 0.000 1.119 660 T CB -0.204 68.686 68.868 0.037 0.000 0.900 660 T HN 0.477 nan 8.240 nan 0.000 0.503 661 T N 1.027 115.618 114.554 0.063 0.000 2.867 661 T HA 0.486 4.835 4.350 -0.001 0.000 0.282 661 T C -0.739 174.034 174.700 0.123 0.000 1.000 661 T CA -0.972 61.180 62.100 0.087 0.000 1.042 661 T CB 0.257 69.156 68.868 0.051 0.000 0.973 661 T HN 0.132 nan 8.240 nan 0.000 0.465 662 F N 4.248 124.211 119.950 0.021 0.000 2.484 662 F HA 0.494 5.021 4.527 -0.001 0.000 0.360 662 F C 0.330 176.144 175.800 0.023 0.000 1.101 662 F CA -0.048 57.969 58.000 0.029 0.000 1.251 662 F CB 0.643 39.660 39.000 0.029 0.000 1.132 662 F HN 0.448 nan 8.300 nan 0.000 0.570 663 S N 6.929 122.123 115.700 -0.843 0.000 2.605 663 S HA 0.509 4.979 4.470 -0.001 0.000 0.308 663 S C -1.904 172.142 174.600 -0.924 0.000 1.113 663 S CA -1.283 56.498 58.200 -0.699 0.000 1.049 663 S CB 1.408 64.406 63.200 -0.337 0.000 1.001 663 S HN 0.532 nan 8.310 nan 0.000 0.480 664 P HA 0.223 nan 4.420 nan 0.000 0.236 664 P C 0.167 177.375 177.300 -0.154 0.000 1.177 664 P CA 0.150 63.050 63.100 -0.333 0.000 0.773 664 P CB -0.042 31.590 31.700 -0.113 0.000 0.878 665 A N 0.909 123.626 122.820 -0.170 0.000 2.531 665 A HA 0.028 4.348 4.320 -0.001 0.000 0.236 665 A C 0.579 178.131 177.584 -0.053 0.000 1.062 665 A CA -0.212 51.766 52.037 -0.100 0.000 0.760 665 A CB -0.304 18.619 19.000 -0.127 0.000 0.995 665 A HN 0.066 nan 8.150 nan 0.000 0.501 666 K N 1.663 122.065 120.400 0.003 0.000 2.524 666 K HA 0.017 4.336 4.320 -0.001 0.000 0.279 666 K C -0.825 175.809 176.600 0.056 0.000 0.993 666 K CA 0.235 56.567 56.287 0.074 0.000 1.030 666 K CB 0.057 32.612 32.500 0.092 0.000 0.891 666 K HN 0.497 nan 8.250 nan 0.000 0.488 667 F N 2.986 122.938 119.950 0.003 0.000 2.456 667 F HA 0.244 4.771 4.527 -0.001 0.000 0.358 667 F C 0.707 176.422 175.800 -0.142 0.000 1.095 667 F CA 0.765 58.705 58.000 -0.100 0.000 1.216 667 F CB 1.214 40.167 39.000 -0.078 0.000 1.125 667 F HN 0.681 nan 8.300 nan 0.000 0.549 668 A N 3.069 125.683 122.820 -0.343 0.000 2.704 668 A HA 0.181 4.500 4.320 -0.001 0.000 0.260 668 A C 0.128 177.474 177.584 -0.397 0.000 1.144 668 A CA 0.025 51.942 52.037 -0.200 0.000 0.985 668 A CB -0.124 18.861 19.000 -0.025 0.000 1.256 668 A HN 0.480 nan 8.150 nan 0.000 0.598 669 S N 0.715 116.010 115.700 -0.675 0.000 2.466 669 S HA 0.713 5.182 4.470 -0.001 0.000 0.313 669 S C -0.951 173.454 174.600 -0.325 0.000 1.078 669 S CA -0.338 57.626 58.200 -0.394 0.000 1.115 669 S CB -0.542 62.448 63.200 -0.350 0.000 1.006 669 S HN 0.202 nan 8.310 nan 0.000 0.487 670 F N 3.052 123.130 119.950 0.213 0.000 2.556 670 F HA 0.571 5.098 4.527 -0.001 0.000 0.327 670 F C 0.438 176.326 175.800 0.146 0.000 1.059 670 F CA -1.277 56.840 58.000 0.195 0.000 0.953 670 F CB 1.195 40.320 39.000 0.208 0.000 1.227 670 F HN 0.283 nan 8.300 nan 0.000 0.478 671 I N 1.501 122.265 120.570 0.322 0.000 2.471 671 I HA 0.113 4.283 4.170 -0.001 0.000 0.286 671 I C 0.348 176.589 176.117 0.207 0.000 1.079 671 I CA -0.361 61.059 61.300 0.200 0.000 1.398 671 I CB 0.913 38.994 38.000 0.135 0.000 1.403 671 I HN 0.604 nan 8.210 nan 0.000 0.530 672 T N 4.488 119.136 114.554 0.157 0.000 2.814 672 T HA 0.396 4.745 4.350 -0.001 0.000 0.297 672 T C -0.381 174.390 174.700 0.118 0.000 0.956 672 T CA -0.640 61.540 62.100 0.132 0.000 1.123 672 T CB 0.770 69.694 68.868 0.094 0.000 0.902 672 T HN 0.731 nan 8.240 nan 0.000 0.528 673 Q N 2.302 122.173 119.800 0.119 0.000 2.472 673 Q HA 0.563 4.903 4.340 -0.001 0.000 0.281 673 Q C -1.773 174.306 176.000 0.132 0.000 0.997 673 Q CA -1.355 54.506 55.803 0.097 0.000 0.828 673 Q CB 1.492 30.248 28.738 0.030 0.000 1.443 673 Q HN 0.863 nan 8.270 nan 0.000 0.390 674 Y N -1.145 119.146 120.300 -0.015 0.000 2.545 674 Y HA 0.837 5.386 4.550 -0.001 0.000 0.348 674 Y C -0.846 175.059 175.900 0.008 0.000 1.002 674 Y CA -0.826 57.261 58.100 -0.022 0.000 1.039 674 Y CB 2.035 40.465 38.460 -0.050 0.000 1.271 674 Y HN 0.819 nan 8.280 nan 0.000 0.467 675 S N 1.064 116.824 115.700 0.099 0.000 2.621 675 S HA 0.849 5.318 4.470 -0.001 0.000 0.302 675 S C -0.651 174.035 174.600 0.142 0.000 1.093 675 S CA -0.460 57.790 58.200 0.083 0.000 1.017 675 S CB 1.940 65.280 63.200 0.233 0.000 1.077 675 S HN 1.073 nan 8.310 nan 0.000 0.517 676 T N -0.451 114.008 114.554 -0.159 0.000 2.853 676 T HA 0.760 5.110 4.350 -0.001 0.000 0.311 676 T C -0.346 173.657 174.700 -1.161 0.000 1.307 676 T CA 0.269 61.949 62.100 -0.700 0.000 1.019 676 T CB 1.059 69.721 68.868 -0.344 0.000 1.264 676 T HN 1.736 nan 8.240 nan 0.000 0.497 677 G N 1.795 109.447 108.800 -1.914 0.000 2.325 677 G HA2 0.493 4.453 3.960 -0.001 0.000 0.295 677 G HA3 0.493 4.453 3.960 -0.001 0.000 0.295 677 G C -2.092 172.011 174.900 -1.329 0.000 1.274 677 G CA -0.666 43.694 45.100 -1.233 0.000 0.857 677 G HN 0.768 nan 8.290 nan 0.000 0.499 678 Q N -1.350 118.047 119.800 -0.671 0.000 2.248 678 Q HA 0.757 5.097 4.340 -0.001 0.000 0.263 678 Q C -0.570 175.211 176.000 -0.365 0.000 1.007 678 Q CA -0.730 54.720 55.803 -0.589 0.000 0.877 678 Q CB 2.540 30.790 28.738 -0.814 0.000 1.315 678 Q HN 0.974 nan 8.270 nan 0.000 0.454 679 V N 0.206 120.032 119.914 -0.147 0.000 2.841 679 V HA 0.831 4.950 4.120 -0.001 0.000 0.310 679 V C -1.595 174.397 176.094 -0.170 0.000 1.090 679 V CA -0.318 61.873 62.300 -0.182 0.000 0.930 679 V CB 2.344 34.116 31.823 -0.085 0.000 1.014 679 V HN 0.692 nan 8.190 nan 0.000 0.425 680 S N 4.306 119.892 115.700 -0.189 0.000 2.557 680 S HA 0.818 5.287 4.470 -0.001 0.000 0.291 680 S C -1.478 172.953 174.600 -0.281 0.000 1.116 680 S CA -0.453 57.665 58.200 -0.137 0.000 0.992 680 S CB 1.596 64.835 63.200 0.064 0.000 1.028 680 S HN 0.878 nan 8.310 nan 0.000 0.484 681 V N 4.952 124.731 119.914 -0.225 0.000 2.443 681 V HA 0.498 4.618 4.120 -0.001 0.000 0.293 681 V C -0.234 175.782 176.094 -0.129 0.000 1.021 681 V CA -0.650 61.513 62.300 -0.228 0.000 0.848 681 V CB 1.482 33.024 31.823 -0.468 0.000 0.998 681 V HN 0.903 nan 8.190 nan 0.000 0.424 682 E N 5.477 125.613 120.200 -0.107 0.000 2.151 682 E HA 0.651 5.001 4.350 -0.001 0.000 0.275 682 E C -1.424 175.126 176.600 -0.082 0.000 0.936 682 E CA -0.520 55.829 56.400 -0.086 0.000 0.777 682 E CB 1.424 31.059 29.700 -0.109 0.000 1.108 682 E HN 0.646 nan 8.360 nan 0.000 0.401 683 I N 3.532 124.057 120.570 -0.075 0.000 2.498 683 I HA 0.270 4.439 4.170 -0.001 0.000 0.290 683 I C -0.218 175.767 176.117 -0.220 0.000 1.032 683 I CA -0.801 60.398 61.300 -0.168 0.000 1.073 683 I CB 2.062 39.911 38.000 -0.252 0.000 1.251 683 I HN 0.555 nan 8.210 nan 0.000 0.426 684 E N 5.219 125.238 120.200 -0.302 0.000 2.231 684 E HA 0.373 4.723 4.350 -0.001 0.000 0.277 684 E C -1.935 174.425 176.600 -0.401 0.000 0.999 684 E CA -0.585 55.691 56.400 -0.207 0.000 0.827 684 E CB 1.305 30.933 29.700 -0.120 0.000 1.101 684 E HN 0.405 nan 8.360 nan 0.000 0.393 685 W N 2.731 124.021 121.300 -0.017 0.000 2.619 685 W HA 0.287 4.947 4.660 -0.001 0.000 0.327 685 W C -0.202 176.363 176.519 0.076 0.000 1.027 685 W CA -0.701 56.675 57.345 0.052 0.000 1.233 685 W CB 1.248 30.803 29.460 0.157 0.000 1.370 685 W HN 0.459 nan 8.180 nan 0.000 0.453 686 E N 3.252 123.601 120.200 0.248 0.000 2.331 686 E HA 0.473 4.822 4.350 -0.001 0.000 0.272 686 E C -0.900 175.979 176.600 0.464 0.000 1.036 686 E CA -0.284 56.271 56.400 0.258 0.000 0.864 686 E CB 0.823 30.599 29.700 0.126 0.000 1.035 686 E HN 0.461 nan 8.360 nan 0.000 0.408 687 L N 3.299 124.800 121.223 0.463 0.000 2.342 687 L HA 0.362 4.701 4.340 -0.001 0.000 0.271 687 L C -0.298 176.811 176.870 0.399 0.000 1.008 687 L CA -0.764 54.377 54.840 0.501 0.000 0.818 687 L CB 1.921 44.199 42.059 0.365 0.000 1.296 687 L HN 0.546 nan 8.230 nan 0.000 0.427 688 Q N 3.100 123.065 119.800 0.274 0.000 2.394 688 Q HA 0.251 4.591 4.340 -0.001 0.000 0.259 688 Q C -0.823 175.183 176.000 0.010 0.000 1.021 688 Q CA -0.786 54.981 55.803 -0.061 0.000 0.805 688 Q CB 1.163 29.619 28.738 -0.471 0.000 1.226 688 Q HN 0.343 nan 8.270 nan 0.000 0.476 689 K N 1.834 122.196 120.400 -0.063 0.000 2.230 689 K HA 0.051 4.370 4.320 -0.001 0.000 0.253 689 K C -0.099 176.243 176.600 -0.429 0.000 1.008 689 K CA -0.006 56.186 56.287 -0.159 0.000 0.910 689 K CB 0.658 33.075 32.500 -0.139 0.000 0.994 689 K HN 0.656 nan 8.250 nan 0.000 0.495 690 E N 1.984 121.816 120.200 -0.613 0.000 2.200 690 E HA 0.035 4.384 4.350 -0.001 0.000 0.283 690 E C -1.019 175.003 176.600 -0.963 0.000 1.015 690 E CA -0.205 55.414 56.400 -1.302 0.000 0.819 690 E CB 0.554 29.624 29.700 -1.051 0.000 1.081 690 E HN 0.356 nan 8.360 nan 0.000 0.397 691 N N 2.950 121.015 118.700 -1.058 0.000 2.762 691 N HA 0.115 4.855 4.740 -0.001 0.000 0.252 691 N C -1.840 173.568 175.510 -0.170 0.000 1.269 691 N CA -0.222 52.576 53.050 -0.419 0.000 0.799 691 N CB 0.969 39.319 38.487 -0.228 0.000 1.173 691 N HN 0.232 nan 8.380 nan 0.000 0.516 692 S N 1.102 116.711 115.700 -0.151 0.000 2.513 692 S HA 0.444 4.914 4.470 -0.001 0.000 0.299 692 S C 0.064 174.685 174.600 0.036 0.000 1.087 692 S CA -0.616 57.626 58.200 0.071 0.000 1.012 692 S CB 0.670 63.989 63.200 0.199 0.000 1.044 692 S HN 0.261 nan 8.310 nan 0.000 0.485 693 K N 2.365 122.813 120.400 0.079 0.000 2.493 693 K HA 0.156 4.476 4.320 -0.001 0.000 0.207 693 K C 0.268 176.944 176.600 0.125 0.000 1.033 693 K CA -0.263 56.074 56.287 0.084 0.000 1.161 693 K CB -0.134 32.416 32.500 0.085 0.000 0.873 693 K HN 0.555 nan 8.250 nan 0.000 0.491 694 R N 0.962 121.534 120.500 0.119 0.000 2.502 694 R HA -0.108 4.232 4.340 -0.001 0.000 0.292 694 R C 1.082 177.473 176.300 0.152 0.000 0.998 694 R CA 0.236 56.420 56.100 0.140 0.000 1.056 694 R CB 0.067 30.440 30.300 0.121 0.000 0.939 694 R HN 0.296 nan 8.270 nan 0.000 0.411 695 W N 5.831 127.146 121.300 0.024 0.000 2.452 695 W HA -0.091 4.569 4.660 -0.001 0.000 0.313 695 W C -0.103 176.425 176.519 0.015 0.000 1.176 695 W CA 1.123 58.477 57.345 0.015 0.000 1.350 695 W CB -0.229 29.238 29.460 0.013 0.000 1.148 695 W HN 0.755 nan 8.180 nan 0.000 0.498 696 N N 2.065 120.888 118.700 0.205 0.000 2.444 696 N HA 0.090 4.829 4.740 -0.001 0.000 0.255 696 N C -2.701 172.813 175.510 0.006 0.000 1.255 696 N CA -1.052 52.050 53.050 0.086 0.000 0.933 696 N CB -0.612 37.974 38.487 0.165 0.000 1.143 696 N HN -0.103 nan 8.380 nan 0.000 0.453 697 P HA 0.077 nan 4.420 nan 0.000 0.267 697 P C -0.197 177.121 177.300 0.029 0.000 1.200 697 P CA 0.272 63.362 63.100 -0.016 0.000 0.772 697 P CB 0.552 32.241 31.700 -0.019 0.000 0.855 698 E N 1.351 121.576 120.200 0.042 0.000 2.292 698 E HA 0.366 4.716 4.350 -0.001 0.000 0.258 698 E C 0.290 176.943 176.600 0.088 0.000 1.115 698 E CA -0.995 55.451 56.400 0.078 0.000 0.929 698 E CB 0.810 30.576 29.700 0.110 0.000 1.161 698 E HN 0.439 nan 8.360 nan 0.000 0.453 699 I N -1.202 119.438 120.570 0.117 0.000 2.519 699 I HA 0.197 4.367 4.170 -0.001 0.000 0.287 699 I C -0.350 175.927 176.117 0.267 0.000 1.047 699 I CA -0.483 60.907 61.300 0.151 0.000 1.381 699 I CB 0.650 38.721 38.000 0.117 0.000 1.417 699 I HN 0.169 nan 8.210 nan 0.000 0.540 700 Q N 4.683 124.634 119.800 0.251 0.000 2.394 700 Q HA 0.303 4.643 4.340 -0.001 0.000 0.273 700 Q C -1.406 174.732 176.000 0.229 0.000 1.089 700 Q CA -0.796 55.138 55.803 0.217 0.000 0.812 700 Q CB 2.823 31.604 28.738 0.071 0.000 1.353 700 Q HN 0.791 nan 8.270 nan 0.000 0.438 701 Y N 0.997 121.188 120.300 -0.182 0.000 2.346 701 Y HA 0.295 4.844 4.550 -0.001 0.000 0.330 701 Y C -0.116 175.763 175.900 -0.035 0.000 1.178 701 Y CA 0.864 58.871 58.100 -0.155 0.000 1.331 701 Y CB 0.989 39.123 38.460 -0.542 0.000 1.253 701 Y HN 0.616 nan 8.280 nan 0.000 0.529 702 T N 3.631 117.780 114.554 -0.676 0.000 2.840 702 T HA 0.433 4.782 4.350 -0.001 0.000 0.317 702 T C -1.240 173.223 174.700 -0.394 0.000 1.401 702 T CA -0.753 61.151 62.100 -0.328 0.000 1.028 702 T CB 0.868 69.663 68.868 -0.122 0.000 1.317 702 T HN 0.613 nan 8.240 nan 0.000 0.495 703 S N 2.049 117.695 115.700 -0.090 0.000 2.586 703 S HA 0.377 4.847 4.470 -0.001 0.000 0.274 703 S C 0.103 174.729 174.600 0.043 0.000 1.281 703 S CA -0.630 57.576 58.200 0.009 0.000 1.035 703 S CB 0.184 63.447 63.200 0.106 0.000 0.962 703 S HN 0.713 nan 8.310 nan 0.000 0.512 704 N N 1.932 120.661 118.700 0.048 0.000 2.427 704 N HA 0.054 4.794 4.740 -0.001 0.000 0.269 704 N C 0.649 176.205 175.510 0.077 0.000 1.235 704 N CA -0.126 52.965 53.050 0.068 0.000 0.934 704 N CB 0.170 38.658 38.487 0.002 0.000 1.121 704 N HN 0.755 nan 8.380 nan 0.000 0.480 705 Y N 1.095 121.393 120.300 -0.004 0.000 2.639 705 Y HA 0.079 4.629 4.550 -0.001 0.000 0.297 705 Y C 0.062 175.964 175.900 0.004 0.000 1.151 705 Y CA -0.514 57.588 58.100 0.003 0.000 1.335 705 Y CB -0.160 38.300 38.460 0.000 0.000 0.994 705 Y HN 0.313 nan 8.280 nan 0.000 0.548 706 N N 2.535 120.873 118.700 -0.603 0.000 2.415 706 N HA -0.032 4.708 4.740 -0.001 0.000 0.248 706 N C -0.496 174.877 175.510 -0.229 0.000 1.271 706 N CA -0.200 52.527 53.050 -0.539 0.000 0.913 706 N CB 0.514 38.746 38.487 -0.425 0.000 1.129 706 N HN 0.318 nan 8.380 nan 0.000 0.444 707 K N 0.556 120.851 120.400 -0.174 0.000 2.453 707 K HA 0.003 4.322 4.320 -0.001 0.000 0.280 707 K C -0.304 176.250 176.600 -0.077 0.000 1.045 707 K CA 0.362 56.594 56.287 -0.092 0.000 1.059 707 K CB 0.216 32.673 32.500 -0.071 0.000 0.901 707 K HN 0.453 nan 8.250 nan 0.000 0.475 708 S N 2.787 118.455 115.700 -0.052 0.000 2.599 708 S HA 0.328 4.798 4.470 -0.001 0.000 0.294 708 S C 0.844 175.425 174.600 -0.032 0.000 1.094 708 S CA -1.053 57.121 58.200 -0.043 0.000 0.931 708 S CB 1.581 64.760 63.200 -0.036 0.000 1.093 708 S HN 0.366 nan 8.310 nan 0.000 0.488 709 V N 3.236 123.129 119.914 -0.034 0.000 2.238 709 V HA -0.009 4.110 4.120 -0.001 0.000 0.235 709 V C 0.797 176.874 176.094 -0.029 0.000 1.037 709 V CA 1.486 63.767 62.300 -0.032 0.000 0.991 709 V CB -0.866 30.935 31.823 -0.038 0.000 0.638 709 V HN 0.837 nan 8.190 nan 0.000 0.457 710 N N -0.901 117.777 118.700 -0.036 0.000 2.472 710 N HA 0.477 5.217 4.740 -0.001 0.000 0.289 710 N C -1.032 174.463 175.510 -0.026 0.000 1.156 710 N CA -0.601 52.427 53.050 -0.036 0.000 0.940 710 N CB 1.974 40.425 38.487 -0.059 0.000 1.200 710 N HN 0.084 nan 8.380 nan 0.000 0.511 711 V N 1.380 121.288 119.914 -0.009 0.000 2.530 711 V HA 0.044 4.164 4.120 -0.001 0.000 0.282 711 V C -0.066 176.040 176.094 0.020 0.000 1.048 711 V CA -0.436 61.878 62.300 0.024 0.000 0.997 711 V CB 0.766 32.622 31.823 0.056 0.000 0.987 711 V HN 0.615 nan 8.190 nan 0.000 0.477 712 D N 4.651 125.086 120.400 0.057 0.000 2.531 712 D HA 0.105 4.744 4.640 -0.001 0.000 0.239 712 D C 0.109 176.533 176.300 0.206 0.000 1.144 712 D CA 0.682 54.716 54.000 0.057 0.000 0.869 712 D CB 0.013 40.938 40.800 0.208 0.000 1.160 712 D HN 0.483 nan 8.370 nan 0.000 0.484 713 F N 0.021 119.921 119.950 -0.082 0.000 2.563 713 F HA -0.266 4.261 4.527 -0.001 0.000 0.351 713 F C 0.315 176.095 175.800 -0.032 0.000 1.086 713 F CA 0.351 58.265 58.000 -0.143 0.000 1.174 713 F CB -1.736 37.303 39.000 0.065 0.000 1.590 713 F HN 0.166 nan 8.300 nan 0.000 0.808 714 T N -0.761 113.723 114.554 -0.117 0.000 2.786 714 T HA 0.607 4.957 4.350 -0.001 0.000 0.316 714 T C -0.175 174.456 174.700 -0.115 0.000 1.503 714 T CA -0.464 61.651 62.100 0.023 0.000 1.019 714 T CB 1.928 70.823 68.868 0.046 0.000 1.415 714 T HN 0.495 nan 8.240 nan 0.000 0.496 715 V N 0.357 120.211 119.914 -0.101 0.000 3.185 715 V HA 0.638 4.758 4.120 -0.001 0.000 0.305 715 V C 0.232 176.272 176.094 -0.091 0.000 1.090 715 V CA -0.374 61.841 62.300 -0.141 0.000 1.107 715 V CB 0.397 32.111 31.823 -0.181 0.000 1.061 715 V HN 0.996 nan 8.190 nan 0.000 0.480 716 D N 1.069 121.420 120.400 -0.082 0.000 2.509 716 D HA 0.244 4.884 4.640 -0.001 0.000 0.275 716 D C 1.392 177.668 176.300 -0.040 0.000 1.189 716 D CA 0.358 54.321 54.000 -0.061 0.000 1.098 716 D CB -0.248 40.512 40.800 -0.067 0.000 1.177 716 D HN 0.687 nan 8.370 nan 0.000 0.599 717 T N -2.966 111.568 114.554 -0.033 0.000 2.915 717 T HA -0.122 4.228 4.350 -0.001 0.000 0.269 717 T C 0.683 175.373 174.700 -0.018 0.000 1.071 717 T CA 1.277 63.364 62.100 -0.022 0.000 1.132 717 T CB -0.770 68.086 68.868 -0.021 0.000 0.878 717 T HN 0.543 nan 8.240 nan 0.000 0.479 718 N N 0.254 118.941 118.700 -0.021 0.000 2.291 718 N HA 0.413 5.152 4.740 -0.001 0.000 0.244 718 N C 0.715 176.217 175.510 -0.013 0.000 1.216 718 N CA -0.165 52.876 53.050 -0.014 0.000 0.879 718 N CB 0.293 38.772 38.487 -0.013 0.000 1.167 718 N HN 0.499 nan 8.380 nan 0.000 0.515 719 G N -0.125 108.662 108.800 -0.022 0.000 2.470 719 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.286 719 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.286 719 G C -0.938 173.945 174.900 -0.027 0.000 1.115 719 G CA -0.004 45.082 45.100 -0.023 0.000 1.122 719 G HN 0.343 nan 8.290 nan 0.000 0.522 720 V N 1.908 121.791 119.914 -0.053 0.000 2.488 720 V HA 0.412 4.531 4.120 -0.001 0.000 0.293 720 V C 0.019 176.069 176.094 -0.074 0.000 1.027 720 V CA -1.343 60.932 62.300 -0.042 0.000 0.862 720 V CB 1.514 33.317 31.823 -0.034 0.000 1.008 720 V HN 0.564 nan 8.190 nan 0.000 0.428 721 Y N 4.416 124.583 120.300 -0.220 0.000 2.511 721 Y HA 0.461 5.011 4.550 -0.001 0.000 0.332 721 Y C 0.718 176.533 175.900 -0.142 0.000 1.177 721 Y CA 0.267 58.214 58.100 -0.254 0.000 1.422 721 Y CB 1.016 39.301 38.460 -0.291 0.000 1.271 721 Y HN 0.729 nan 8.280 nan 0.000 0.550 722 S N 4.368 119.631 115.700 -0.729 0.000 2.619 722 S HA 0.413 4.883 4.470 -0.001 0.000 0.280 722 S C -1.508 172.639 174.600 -0.756 0.000 1.150 722 S CA -1.196 56.672 58.200 -0.553 0.000 0.978 722 S CB 1.404 64.398 63.200 -0.344 0.000 1.041 722 S HN 0.675 nan 8.310 nan 0.000 0.485 723 E N 3.093 122.958 120.200 -0.559 0.000 2.001 723 E HA 0.218 4.568 4.350 -0.001 0.000 0.279 723 E C -1.856 174.388 176.600 -0.594 0.000 1.045 723 E CA -2.003 54.035 56.400 -0.603 0.000 0.833 723 E CB 0.463 30.048 29.700 -0.191 0.000 1.077 723 E HN 0.355 nan 8.360 nan 0.000 0.397 724 P HA -0.216 nan 4.420 nan 0.000 0.208 724 P C 0.203 177.339 177.300 -0.273 0.000 1.180 724 P CA 1.520 64.322 63.100 -0.495 0.000 0.935 724 P CB 0.181 31.559 31.700 -0.538 0.000 0.785 725 R N -1.615 118.775 120.500 -0.184 0.000 2.892 725 R HA 0.616 4.956 4.340 -0.001 0.000 0.265 725 R C -2.949 173.406 176.300 0.092 0.000 1.025 725 R CA -2.323 53.786 56.100 0.014 0.000 0.982 725 R CB 0.097 30.470 30.300 0.123 0.000 1.185 725 R HN -0.138 nan 8.270 nan 0.000 0.484 726 P HA 0.198 nan 4.420 nan 0.000 0.274 726 P C -0.698 176.763 177.300 0.268 0.000 1.231 726 P CA -0.369 62.791 63.100 0.100 0.000 0.790 726 P CB 0.524 32.250 31.700 0.045 0.000 0.951 727 I N 1.875 122.640 120.570 0.325 0.000 2.382 727 I HA 0.302 4.472 4.170 -0.001 0.000 0.286 727 I C 1.167 177.643 176.117 0.599 0.000 1.002 727 I CA -0.313 61.214 61.300 0.379 0.000 1.135 727 I CB 0.754 38.851 38.000 0.161 0.000 1.288 727 I HN 0.418 nan 8.210 nan 0.000 0.448 728 G N 3.527 112.679 108.800 0.585 0.000 2.631 728 G HA2 0.223 4.183 3.960 -0.001 0.000 0.271 728 G HA3 0.223 4.183 3.960 -0.001 0.000 0.271 728 G C 0.545 175.616 174.900 0.284 0.000 1.302 728 G CA 0.145 45.461 45.100 0.360 0.000 1.002 728 G HN 0.577 nan 8.290 nan 0.000 0.519 729 T N -1.403 113.242 114.554 0.151 0.000 2.986 729 T HA 0.176 4.526 4.350 -0.001 0.000 0.264 729 T C 0.913 175.723 174.700 0.183 0.000 0.964 729 T CA -0.221 61.944 62.100 0.109 0.000 0.895 729 T CB 0.022 68.960 68.868 0.117 0.000 1.163 729 T HN 0.362 nan 8.240 nan 0.000 0.517 730 R N 1.205 121.801 120.500 0.160 0.000 2.391 730 R HA 0.344 4.684 4.340 -0.001 0.000 0.310 730 R C -0.592 175.743 176.300 0.059 0.000 1.174 730 R CA -0.168 55.963 56.100 0.051 0.000 1.118 730 R CB 0.374 30.611 30.300 -0.105 0.000 1.134 730 R HN 0.327 nan 8.270 nan 0.000 0.524 731 Y N 0.597 120.921 120.300 0.041 0.000 2.423 731 Y HA 0.238 4.787 4.550 -0.001 0.000 0.257 731 Y C 0.462 176.418 175.900 0.092 0.000 1.087 731 Y CA -0.068 58.075 58.100 0.073 0.000 1.258 731 Y CB 0.881 39.393 38.460 0.086 0.000 1.237 731 Y HN 0.244 nan 8.280 nan 0.000 0.517 732 L N 0.732 122.115 121.223 0.268 0.000 2.334 732 L HA 0.468 4.808 4.340 -0.001 0.000 0.275 732 L C 0.169 177.136 176.870 0.163 0.000 1.036 732 L CA -0.765 54.261 54.840 0.309 0.000 0.807 732 L CB 1.566 43.971 42.059 0.576 0.000 1.231 732 L HN 0.007 nan 8.230 nan 0.000 0.438 733 T N -0.230 114.424 114.554 0.166 0.000 2.794 733 T HA 0.573 4.922 4.350 -0.001 0.000 0.280 733 T C -0.414 174.219 174.700 -0.112 0.000 0.987 733 T CA -0.875 61.234 62.100 0.017 0.000 0.993 733 T CB 2.028 70.937 68.868 0.069 0.000 0.939 733 T HN 0.592 nan 8.240 nan 0.000 0.449 734 R N 2.090 122.403 120.500 -0.312 0.000 2.807 734 R HA 0.477 4.816 4.340 -0.001 0.000 0.276 734 R C -0.729 175.501 176.300 -0.117 0.000 0.979 734 R CA -0.677 55.188 56.100 -0.392 0.000 0.928 734 R CB 1.449 31.116 30.300 -1.056 0.000 1.191 734 R HN 0.712 nan 8.270 nan 0.000 0.471 735 N N 0.949 119.618 118.700 -0.052 0.000 2.374 735 N HA 0.345 5.085 4.740 -0.001 0.000 0.284 735 N C -0.220 175.321 175.510 0.052 0.000 1.280 735 N CA -0.269 52.796 53.050 0.025 0.000 0.963 735 N CB 0.327 38.822 38.487 0.013 0.000 1.141 735 N HN 0.361 nan 8.380 nan 0.000 0.565 736 L N 0.000 121.220 121.223 -0.006 0.000 2.949 736 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 736 L CA 0.000 54.781 54.840 -0.098 0.000 0.813 736 L CB 0.000 41.952 42.059 -0.178 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502