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_O 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 0.808 5.127 4.320 -0.001 0.000 0.280 218 A C -1.074 176.529 177.584 0.032 0.000 1.081 218 A CA -0.539 51.520 52.037 0.038 0.000 0.753 218 A CB 1.565 20.584 19.000 0.032 0.000 1.248 218 A HN 0.516 nan 8.150 nan 0.000 0.424 219 D N 0.548 120.971 120.400 0.038 0.000 2.989 219 D HA 0.694 5.333 4.640 -0.001 0.000 0.284 219 D C 0.674 176.994 176.300 0.034 0.000 1.212 219 D CA 0.280 54.300 54.000 0.033 0.000 1.055 219 D CB 1.317 42.137 40.800 0.033 0.000 1.351 219 D HN 0.676 nan 8.370 nan 0.000 0.611 220 G N -0.706 108.112 108.800 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 -0.216 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 0.472 120.400 119.914 0.023 0.000 2.273 221 V HA 0.110 4.229 4.120 -0.001 0.000 0.242 221 V C 2.375 178.481 176.094 0.020 0.000 1.035 221 V CA 1.855 64.168 62.300 0.021 0.000 1.013 221 V CB -0.662 31.169 31.823 0.014 0.000 0.652 221 V HN 0.731 nan 8.190 nan 0.000 0.452 222 G N 1.186 109.996 108.800 0.017 0.000 3.709 222 G HA2 0.234 4.194 3.960 -0.001 0.000 0.272 222 G HA3 0.234 4.194 3.960 -0.001 0.000 0.272 222 G C -0.121 174.790 174.900 0.020 0.000 1.259 222 G CA 0.010 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 0.148 118.865 118.700 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 1.653 117.385 115.700 0.053 0.000 2.544 224 S HA 0.034 4.504 4.470 -0.001 0.000 0.290 224 S C 0.883 175.536 174.600 0.088 0.000 1.276 224 S CA -0.107 58.144 58.200 0.084 0.000 1.075 224 S CB 0.379 63.633 63.200 0.089 0.000 0.849 224 S HN 0.562 nan 8.310 nan 0.000 0.494 225 S N 1.737 117.517 115.700 0.134 0.000 2.743 225 S HA 0.542 5.011 4.470 -0.001 0.000 0.230 225 S C 0.717 175.365 174.600 0.080 0.000 0.950 225 S CA -0.275 57.998 58.200 0.123 0.000 0.976 225 S CB -0.722 62.577 63.200 0.165 0.000 0.779 225 S HN 1.526 nan 8.310 nan 0.000 0.487 226 G N 0.295 109.101 108.800 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 -0.372 0.000 0.847 226 G HN 0.267 nan 8.290 nan 0.000 0.594 227 N N -0.712 117.806 118.700 -0.303 0.000 2.471 227 N HA 0.427 5.167 4.740 -0.001 0.000 0.288 227 N C -0.780 174.728 175.510 -0.003 0.000 1.220 227 N CA -0.851 52.146 53.050 -0.088 0.000 0.893 227 N CB 1.998 40.387 38.487 -0.164 0.000 1.256 227 N HN 0.536 nan 8.380 nan 0.000 0.534 228 W N 2.785 124.022 121.300 -0.106 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 57.341 57.345 -0.012 0.000 1.528 228 W CB -0.287 29.173 29.460 -0.000 0.000 1.497 228 W HN 0.458 nan 8.180 nan 0.000 0.367 229 H N 4.859 123.854 119.070 -0.125 0.000 2.787 229 H HA 0.180 4.736 4.556 -0.001 0.000 0.275 229 H C -0.189 175.023 175.328 -0.194 0.000 1.183 229 H CA -0.032 55.952 56.048 -0.106 0.000 1.290 229 H CB 1.087 30.775 29.762 -0.123 0.000 1.438 229 H HN 0.159 nan 8.280 nan 0.000 0.487 230 C N 4.467 123.770 119.300 0.005 0.000 2.547 230 C HA 0.354 4.814 4.460 -0.001 0.000 0.327 230 C C -0.888 174.146 174.990 0.074 0.000 1.076 230 C CA -0.357 58.662 59.018 0.002 0.000 1.390 230 C CB -0.410 27.347 27.740 0.028 0.000 1.918 230 C HN 0.929 nan 8.230 nan 0.000 0.438 231 D N 2.153 122.575 120.400 0.037 0.000 2.710 231 D HA 0.642 5.281 4.640 -0.001 0.000 0.276 231 D C -1.277 175.017 176.300 -0.010 0.000 1.267 231 D CA 0.158 54.180 54.000 0.037 0.000 0.772 231 D CB 2.109 42.944 40.800 0.059 0.000 1.299 231 D HN 0.627 nan 8.370 nan 0.000 0.421 232 S N 0.815 116.506 115.700 -0.015 0.000 2.603 232 S HA 0.725 5.195 4.470 -0.001 0.000 0.274 232 S C -1.459 173.105 174.600 -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 0.461 nan 8.310 nan 0.000 0.477 233 Q N 1.409 121.147 119.800 -0.104 0.000 2.458 233 Q HA 0.809 5.148 4.340 -0.001 0.000 0.282 233 Q C -1.674 174.267 176.000 -0.099 0.000 1.106 233 Q CA -0.592 55.224 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 0.332 121.652 121.300 0.033 0.000 2.639 234 W HA 0.573 5.233 4.660 -0.001 0.000 0.347 234 W C -0.012 176.528 176.519 0.035 0.000 1.067 234 W CA -0.782 56.587 57.345 0.040 0.000 1.218 234 W CB 1.104 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 2.768 124.148 121.223 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 0.158 0.000 1.166 235 L CA 0.903 55.840 54.840 0.162 0.000 0.977 235 L CB -0.744 41.378 42.059 0.106 0.000 1.313 235 L HN 1.013 nan 8.230 nan 0.000 0.549 236 G N 1.077 110.006 108.800 0.216 0.000 2.480 236 G HA2 -0.446 3.514 3.960 -0.001 0.000 0.246 236 G HA3 -0.446 3.514 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 0.349 120.832 120.400 0.138 0.000 2.388 237 D HA 0.190 4.829 4.640 -0.001 0.000 0.208 237 D C 1.230 177.634 176.300 0.173 0.000 1.035 237 D CA 1.174 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 -1.748 118.864 120.500 0.186 0.000 2.741 238 R HA 0.567 4.907 4.340 -0.001 0.000 0.276 238 R C -2.038 174.350 176.300 0.146 0.000 1.028 238 R CA -0.979 55.235 56.100 0.190 0.000 0.865 238 R CB 1.073 31.455 30.300 0.136 0.000 1.268 238 R HN -0.128 nan 8.270 nan 0.000 0.475 239 V N 1.629 121.595 119.914 0.088 0.000 2.686 239 V HA 0.564 4.684 4.120 -0.001 0.000 0.306 239 V C -1.576 174.487 176.094 -0.051 0.000 1.065 239 V CA -0.877 61.324 62.300 -0.165 0.000 0.894 239 V CB 1.953 33.353 31.823 -0.704 0.000 1.004 239 V HN 0.672 nan 8.190 nan 0.000 0.424 240 I N 5.602 126.089 120.570 -0.139 0.000 2.339 240 I HA 0.506 4.675 4.170 -0.001 0.000 0.290 240 I C 0.444 176.481 176.117 -0.134 0.000 0.994 240 I CA 0.072 61.334 61.300 -0.064 0.000 1.191 240 I CB 2.054 40.014 38.000 -0.066 0.000 1.343 240 I HN 0.783 nan 8.210 nan 0.000 0.458 241 T N 1.453 115.970 114.554 -0.061 0.000 2.756 241 T HA 0.597 4.946 4.350 -0.001 0.000 0.290 241 T C -0.071 174.600 174.700 -0.049 0.000 0.985 241 T CA -0.681 61.337 62.100 -0.137 0.000 0.955 241 T CB 0.522 69.240 68.868 -0.249 0.000 0.930 241 T HN 0.475 nan 8.240 nan 0.000 0.451 242 T N 2.894 117.413 114.554 -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 -0.042 0.000 0.987 242 T CA -0.737 61.335 62.100 -0.045 0.000 0.993 242 T CB 1.450 70.296 68.868 -0.036 0.000 0.939 242 T HN 0.703 nan 8.240 nan 0.000 0.449 243 S N 1.932 117.595 115.700 -0.061 0.000 2.571 243 S HA 0.685 5.155 4.470 -0.001 0.000 0.284 243 S C -0.936 173.545 174.600 -0.199 0.000 1.128 243 S CA -0.537 57.606 58.200 -0.096 0.000 0.970 243 S CB 1.207 64.384 63.200 -0.037 0.000 1.039 243 S HN 0.665 nan 8.310 nan 0.000 0.485 244 T N 5.322 119.657 114.554 -0.365 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 -0.634 0.000 1.000 244 T CA -0.840 60.883 62.100 -0.628 0.000 0.978 244 T CB 1.090 69.239 68.868 -1.198 0.000 0.997 244 T HN 0.505 nan 8.240 nan 0.000 0.443 245 R N 1.233 121.567 120.500 -0.276 0.000 2.836 245 R HA 0.637 4.977 4.340 -0.001 0.000 0.269 245 R C -0.816 175.619 176.300 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 32.189 30.300 0.350 0.000 1.218 245 R HN 0.564 nan 8.270 nan 0.000 0.473 246 T N 2.617 117.360 114.554 0.315 0.000 2.799 246 T HA 0.514 4.863 4.350 -0.001 0.000 0.286 246 T C -0.193 174.463 174.700 -0.073 0.000 0.973 246 T CA -0.624 61.517 62.100 0.068 0.000 1.035 246 T CB 0.660 69.561 68.868 0.055 0.000 0.932 246 T HN 0.455 nan 8.240 nan 0.000 0.469 247 W N 0.672 121.814 121.300 -0.264 0.000 2.799 247 W HA 0.836 5.496 4.660 -0.001 0.000 0.349 247 W C -1.301 174.996 176.519 -0.371 0.000 1.100 247 W CA -1.715 55.197 57.345 -0.722 0.000 1.174 247 W CB 1.391 30.498 29.460 -0.587 0.000 1.427 247 W HN 0.730 nan 8.180 nan 0.000 0.547 248 A N 2.735 125.542 122.820 -0.021 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 51.341 52.037 0.105 0.000 0.724 248 A CB 1.980 20.964 19.000 -0.027 0.000 1.267 248 A HN 0.675 nan 8.150 nan 0.000 0.418 249 L N 3.671 125.066 121.223 0.286 0.000 2.404 249 L HA 0.689 5.029 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 2.124 44.275 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 -1.049 176.094 177.300 -0.262 0.000 1.304 250 P CA -0.420 62.540 63.100 -0.234 0.000 0.767 250 P CB 0.541 31.932 31.700 -0.516 0.000 1.247 251 T N 0.611 114.998 114.554 -0.279 0.000 2.762 251 T HA 0.320 4.670 4.350 -0.001 0.000 0.303 251 T C -0.363 174.130 174.700 -0.345 0.000 0.977 251 T CA 0.081 62.005 62.100 -0.293 0.000 0.961 251 T CB -0.847 67.805 68.868 -0.359 0.000 0.944 251 T HN 0.126 nan 8.240 nan 0.000 0.481 252 Y N 2.085 122.279 120.300 -0.175 0.000 2.301 252 Y HA 0.188 4.738 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 -0.213 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 0.707 nan 8.280 nan 0.000 0.527 253 N N 1.938 120.693 118.700 0.092 0.000 2.650 253 N HA -0.395 4.345 4.740 -0.001 0.000 0.249 253 N C -0.365 175.138 175.510 -0.012 0.000 1.155 253 N CA 0.772 53.847 53.050 0.042 0.000 0.747 253 N CB -0.597 37.920 38.487 0.051 0.000 1.132 253 N HN 0.766 nan 8.380 nan 0.000 0.564 254 N N 0.169 118.806 118.700 -0.104 0.000 2.714 254 N HA -0.207 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 2.031 54.998 53.050 -0.138 0.000 0.726 254 N CB -1.748 36.750 38.487 0.018 0.000 0.908 254 N HN 0.721 nan 8.380 nan 0.000 0.542 255 H N -2.726 116.299 119.070 -0.076 0.000 2.861 255 H HA -0.203 4.353 4.556 -0.001 0.000 0.289 255 H C -0.159 175.144 175.328 -0.042 0.000 1.176 255 H CA 1.213 57.166 56.048 -0.159 0.000 1.146 255 H CB -1.138 28.389 29.762 -0.392 0.000 1.330 255 H HN 0.352 nan 8.280 nan 0.000 0.379 256 L N 0.130 121.397 121.223 0.072 0.000 2.401 256 L HA 0.452 4.792 4.340 -0.001 0.000 0.266 256 L C -0.241 176.690 176.870 0.102 0.000 0.991 256 L CA -1.028 53.901 54.840 0.149 0.000 0.818 256 L CB 1.406 43.570 42.059 0.174 0.000 1.321 256 L HN 0.021 nan 8.230 nan 0.000 0.413 257 Y N 2.069 122.522 120.300 0.254 0.000 2.336 257 Y HA 0.324 4.874 4.550 -0.001 0.000 0.335 257 Y C 0.028 176.085 175.900 0.262 0.000 1.046 257 Y CA -0.165 58.122 58.100 0.312 0.000 1.198 257 Y CB 1.021 39.734 38.460 0.423 0.000 1.182 257 Y HN 0.284 nan 8.280 nan 0.000 0.502 258 K N 2.871 123.482 120.400 0.350 0.000 2.270 258 K HA 0.225 4.544 4.320 -0.001 0.000 0.255 258 K C -0.821 175.869 176.600 0.150 0.000 0.936 258 K CA -1.059 55.354 56.287 0.210 0.000 0.809 258 K CB 1.967 34.533 32.500 0.109 0.000 1.131 258 K HN 0.597 nan 8.250 nan 0.000 0.427 259 Q N 5.112 124.920 119.800 0.014 0.000 2.307 259 Q HA 0.195 4.535 4.340 -0.001 0.000 0.261 259 Q C -0.526 175.222 176.000 -0.419 0.000 1.051 259 Q CA -0.335 55.225 55.803 -0.405 0.000 0.911 259 Q CB 0.201 28.744 28.738 -0.325 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 4.963 4.170 -0.001 0.000 0.309 260 I C -0.508 175.250 176.117 -0.598 0.000 1.001 260 I CA -0.727 60.344 61.300 -0.383 0.000 1.129 260 I CB 2.079 39.986 38.000 -0.156 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 4.937 4.470 -0.001 0.000 0.268 261 S C -0.560 173.498 174.600 -0.904 0.000 1.162 261 S CA -0.592 57.147 58.200 -0.768 0.000 0.817 261 S CB 0.873 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 1.147 116.364 115.700 -0.805 0.000 2.576 262 S HA 0.356 4.826 4.470 -0.001 0.000 0.276 262 S C 0.089 174.670 174.600 -0.031 0.000 1.339 262 S CA -0.552 57.509 58.200 -0.232 0.000 1.039 262 S CB 0.291 63.556 63.200 0.109 0.000 0.902 262 S HN 0.769 nan 8.310 nan 0.000 0.516 263 Q N 1.459 121.280 119.800 0.035 0.000 2.349 263 Q HA 0.055 4.394 4.340 -0.001 0.000 0.287 263 Q C -0.356 175.670 176.000 0.042 0.000 1.044 263 Q CA 0.380 56.198 55.803 0.024 0.000 0.918 263 Q CB 0.549 29.297 28.738 0.018 0.000 1.242 263 Q HN 0.827 nan 8.270 nan 0.000 0.405 264 S N 2.502 118.222 115.700 0.033 0.000 2.711 264 S HA 0.211 4.680 4.470 -0.001 0.000 0.335 264 S C 0.680 175.310 174.600 0.049 0.000 1.175 264 S CA 0.422 58.649 58.200 0.045 0.000 1.372 264 S CB -0.743 62.469 63.200 0.020 0.000 1.337 264 S HN 0.812 nan 8.310 nan 0.000 0.572 265 G N 2.021 110.875 108.800 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 1.084 178.600 177.584 -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 1.558 nan 8.150 nan 0.000 0.479 267 S N -1.998 113.577 115.700 -0.209 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 1.258 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 0.666 119.242 118.700 -0.207 0.000 2.571 268 N HA 0.034 4.774 4.740 -0.001 0.000 0.195 268 N C 0.017 175.568 175.510 0.069 0.000 1.040 268 N CA 0.202 53.240 53.050 -0.019 0.000 0.890 268 N CB 0.129 38.667 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 -0.020 176.293 176.300 0.021 0.000 1.020 269 D CA 0.630 54.669 54.000 0.064 0.000 0.892 269 D CB -0.199 40.657 40.800 0.094 0.000 0.900 269 D HN 0.408 nan 8.370 nan 0.000 0.531 270 N N -0.601 118.070 118.700 -0.049 0.000 2.200 270 N HA 0.006 4.745 4.740 -0.001 0.000 0.224 270 N C 0.039 175.594 175.510 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 39.151 38.487 -0.116 0.000 1.072 270 N HN 0.069 nan 8.380 nan 0.000 0.519 271 H N 1.120 120.275 119.070 0.141 0.000 2.871 271 H HA 0.044 4.600 4.556 -0.001 0.000 0.355 271 H C -0.423 175.080 175.328 0.291 0.000 1.092 271 H CA 0.678 56.834 56.048 0.180 0.000 1.420 271 H CB 0.367 30.184 29.762 0.092 0.000 1.400 271 H HN 0.259 nan 8.280 nan 0.000 0.604 272 Y N 0.550 120.973 120.300 0.206 0.000 2.702 272 Y HA 0.472 5.022 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 -1.377 56.814 58.100 0.151 0.000 1.072 272 Y CB 1.308 39.812 38.460 0.073 0.000 1.327 272 Y HN 0.403 nan 8.280 nan 0.000 0.456 273 F N 1.280 121.199 119.950 -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 -0.081 0.000 1.134 273 F CA 0.035 57.916 58.000 -0.199 0.000 0.961 273 F CB 1.969 40.876 39.000 -0.155 0.000 1.239 273 F HN 1.087 nan 8.300 nan 0.000 0.448 274 G N 2.931 111.224 108.800 -0.845 0.000 2.588 274 G HA2 0.491 4.451 3.960 -0.001 0.000 0.281 274 G HA3 0.491 4.451 3.960 -0.001 0.000 0.281 274 G C -2.406 171.862 174.900 -1.055 0.000 1.223 274 G CA -0.580 44.138 45.100 -0.638 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 0.729 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 2.603 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 1.299 117.075 115.700 0.126 0.000 2.456 276 S HA 0.572 5.042 4.470 -0.001 0.000 0.316 276 S C -0.593 174.135 174.600 0.213 0.000 1.089 276 S CA -0.539 57.727 58.200 0.111 0.000 1.101 276 S CB 0.199 63.432 63.200 0.056 0.000 0.995 276 S HN 0.701 nan 8.310 nan 0.000 0.468 277 T N 2.734 117.422 114.554 0.223 0.000 2.902 277 T HA 0.563 4.913 4.350 -0.001 0.000 0.283 277 T C -2.424 172.289 174.700 0.021 0.000 1.009 277 T CA -2.080 60.095 62.100 0.125 0.000 1.051 277 T CB 1.375 70.554 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 -0.690 176.569 177.300 -0.067 0.000 1.197 278 P CA 0.042 63.073 63.100 -0.116 0.000 0.765 278 P CB -0.084 31.463 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 1.072 177.570 176.519 -0.035 0.000 1.160 279 W CA -0.046 57.296 57.345 -0.004 0.000 1.266 279 W CB 0.691 30.140 29.460 -0.018 0.000 1.195 279 W HN -0.190 nan 8.180 nan 0.000 0.599 280 G N 0.569 109.464 108.800 0.158 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 -0.043 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 -1.788 173.918 175.900 -0.322 0.000 1.155 281 Y CA -2.188 55.755 58.100 -0.262 0.000 1.046 281 Y CB 1.063 39.409 38.460 -0.190 0.000 1.316 281 Y HN 0.395 nan 8.280 nan 0.000 0.457 282 F N 1.548 121.550 119.950 0.087 0.000 2.422 282 F HA 0.566 5.093 4.527 -0.001 0.000 0.333 282 F C -0.265 175.636 175.800 0.168 0.000 1.095 282 F CA -0.078 58.012 58.000 0.149 0.000 1.038 282 F CB 1.696 40.861 39.000 0.276 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 0.321 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 -0.516 53.525 54.000 0.068 0.000 0.833 283 D CB 1.290 42.141 40.800 0.086 0.000 1.607 283 D HN 0.289 nan 8.370 nan 0.000 0.463 284 F N 0.612 120.662 119.950 0.168 0.000 2.656 284 F HA 0.386 4.913 4.527 -0.001 0.000 0.363 284 F C 0.304 176.153 175.800 0.082 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 1.834 120.367 118.700 -0.279 0.000 2.581 285 N HA 0.133 4.873 4.740 -0.001 0.000 0.230 285 N C -0.381 174.925 175.510 -0.339 0.000 1.310 285 N CA 0.011 52.701 53.050 -0.601 0.000 0.886 285 N CB 0.184 38.122 38.487 -0.915 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 0.017 176.191 176.300 -0.209 0.000 0.980 286 R CA -0.655 55.272 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 1.017 120.964 119.950 -0.006 0.000 2.216 287 F HA -0.184 4.342 4.527 -0.001 0.000 0.300 287 F C 2.317 178.156 175.800 0.065 0.000 1.085 287 F CA 1.703 59.790 58.000 0.146 0.000 1.326 287 F CB -0.073 38.835 39.000 -0.153 0.000 1.027 287 F HN 0.721 nan 8.300 nan 0.000 0.497 288 H N -2.789 116.346 119.070 0.109 0.000 2.561 288 H HA -0.039 4.516 4.556 -0.001 0.000 0.278 288 H C 1.753 177.093 175.328 0.021 0.000 1.014 288 H CA 0.579 56.652 56.048 0.041 0.000 1.211 288 H CB -1.413 28.349 29.762 -0.000 0.000 1.365 288 H HN 0.248 nan 8.280 nan 0.000 0.594 289 C N 0.669 119.827 119.300 -0.237 0.000 2.432 289 C HA -0.033 4.427 4.460 -0.001 0.000 0.280 289 C C 1.846 176.604 174.990 -0.388 0.000 1.353 289 C CA 1.010 59.815 59.018 -0.356 0.000 1.766 289 C CB -0.613 26.751 27.740 -0.626 0.000 1.924 289 C HN 0.799 nan 8.230 nan 0.000 0.509 290 H N -2.788 116.401 119.070 0.199 0.000 2.521 290 H HA 0.244 4.799 4.556 -0.001 0.000 0.267 290 H C 0.127 175.415 175.328 -0.065 0.000 0.963 290 H CA 0.193 56.289 56.048 0.080 0.000 1.175 290 H CB -0.199 29.663 29.762 0.167 0.000 1.450 290 H HN 0.311 nan 8.280 nan 0.000 0.472 291 F N 2.893 122.980 119.950 0.229 0.000 2.394 291 F HA 0.262 4.789 4.527 -0.001 0.000 0.340 291 F C 1.141 177.016 175.800 0.124 0.000 1.105 291 F CA -0.857 57.242 58.000 0.165 0.000 1.124 291 F CB 1.208 40.364 39.000 0.260 0.000 1.145 291 F HN -0.037 nan 8.300 nan 0.000 0.505 292 S N 2.732 118.596 115.700 0.274 0.000 2.632 292 S HA 0.370 4.840 4.470 -0.001 0.000 0.267 292 S C -2.024 172.680 174.600 0.173 0.000 1.276 292 S CA -1.170 57.144 58.200 0.189 0.000 0.998 292 S CB 1.509 64.801 63.200 0.152 0.000 0.953 292 S HN 0.343 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 1.304 64.308 63.100 -0.160 0.000 0.880 293 P CB -0.032 31.488 31.700 -0.301 0.000 0.791 294 R N 0.346 120.888 120.500 0.069 0.000 2.070 294 R HA -0.143 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 -0.351 120.209 120.400 0.267 0.000 2.116 295 D HA -0.257 4.382 4.640 -0.001 0.000 0.193 295 D C 1.690 178.233 176.300 0.406 0.000 0.998 295 D CA 1.324 55.605 54.000 0.470 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 1.945 123.295 121.300 0.084 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 58.665 57.345 -0.164 0.000 1.244 296 W CB -0.088 29.225 29.460 -0.244 0.000 1.140 296 W HN 0.119 nan 8.180 nan 0.000 0.523 297 Q N 0.339 120.107 119.800 -0.053 0.000 2.020 297 Q HA -0.234 4.106 4.340 -0.001 0.000 0.202 297 Q C 2.434 178.306 176.000 -0.213 0.000 0.982 297 Q CA 2.151 57.857 55.803 -0.161 0.000 0.838 297 Q CB -0.276 28.441 28.738 -0.036 0.000 0.899 297 Q HN 0.220 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 -0.800 29.155 30.300 -0.575 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 2.238 178.889 176.870 -0.365 0.000 1.072 299 L CA 1.534 56.233 54.840 -0.235 0.000 0.758 299 L CB -0.287 41.499 42.059 -0.454 0.000 0.889 299 L HN 0.187 nan 8.230 nan 0.000 0.433 300 I N 0.448 120.689 120.570 -0.548 0.000 2.163 300 I HA -0.303 3.867 4.170 -0.001 0.000 0.243 300 I C 1.949 177.940 176.117 -0.211 0.000 1.085 300 I CA 1.526 62.555 61.300 -0.452 0.000 1.347 300 I CB -1.652 35.989 38.000 -0.600 0.000 1.044 300 I HN 0.448 nan 8.210 nan 0.000 0.408 301 N N 1.033 119.600 118.700 -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 0.452 53.432 53.050 -0.117 0.000 0.893 301 N CB -0.078 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 -0.281 118.363 118.700 -0.094 0.000 2.266 302 N HA 0.090 4.829 4.740 -0.001 0.000 0.217 302 N C -0.617 174.855 175.510 -0.063 0.000 1.211 302 N CA 0.014 53.001 53.050 -0.105 0.000 0.881 302 N CB 0.785 39.168 38.487 -0.173 0.000 1.153 302 N HN 0.149 nan 8.380 nan 0.000 0.489 303 N N -0.146 118.574 118.700 0.033 0.000 2.342 303 N HA 0.141 4.880 4.740 -0.001 0.000 0.293 303 N C 0.335 176.059 175.510 0.358 0.000 1.026 303 N CA -0.442 52.686 53.050 0.130 0.000 0.857 303 N CB 1.770 40.359 38.487 0.170 0.000 1.256 303 N HN 0.143 nan 8.380 nan 0.000 0.484 304 W N 1.919 123.240 121.300 0.034 0.000 2.321 304 W HA -0.128 4.532 4.660 -0.001 0.000 0.306 304 W C 1.120 177.728 176.519 0.149 0.000 1.217 304 W CA 0.269 57.632 57.345 0.030 0.000 1.257 304 W CB 0.342 29.732 29.460 -0.117 0.000 1.145 304 W HN 0.590 nan 8.180 nan 0.000 0.509 305 G N -1.860 107.195 108.800 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 -1.821 173.534 174.900 0.759 0.000 1.402 305 G CA -0.657 44.732 45.100 0.483 0.000 0.784 305 G HN 0.088 nan 8.290 nan 0.000 0.482 306 F N -1.312 119.080 119.950 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 0.626 0.000 0.924 306 F CB 1.649 40.879 39.000 0.383 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 0.337 0.000 2.712 307 R HA 0.688 5.028 4.340 -0.001 0.000 0.272 307 R C -3.635 172.589 176.300 -0.126 0.000 1.032 307 R CA -1.934 54.021 56.100 -0.242 0.000 0.874 307 R CB 1.599 31.419 30.300 -0.801 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 -0.731 176.071 177.300 -0.830 0.000 1.238 308 P CA -0.579 61.760 63.100 -1.267 0.000 0.794 308 P CB 1.152 31.523 31.700 -2.214 0.000 0.955 309 K N 0.993 121.081 120.400 -0.520 0.000 2.537 309 K HA 0.281 4.600 4.320 -0.001 0.000 0.216 309 K C 0.400 177.033 176.600 0.054 0.000 1.349 309 K CA 0.754 56.943 56.287 -0.164 0.000 0.841 309 K CB 0.214 32.619 32.500 -0.157 0.000 1.659 309 K HN 0.349 nan 8.250 nan 0.000 0.435 310 K N 0.296 120.683 120.400 -0.022 0.000 2.331 310 K HA 0.552 4.872 4.320 -0.001 0.000 0.238 310 K C -1.225 175.364 176.600 -0.017 0.000 1.058 310 K CA -0.947 55.301 56.287 -0.064 0.000 0.871 310 K CB 1.716 34.141 32.500 -0.125 0.000 1.292 310 K HN -0.087 nan 8.250 nan 0.000 0.470 311 L N -0.351 120.825 121.223 -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 44.567 42.059 0.045 0.000 1.334 311 L HN 0.514 nan 8.230 nan 0.000 0.407 312 S N 4.376 120.054 115.700 -0.038 0.000 2.779 312 S HA 0.572 5.041 4.470 -0.001 0.000 0.293 312 S C -1.282 173.354 174.600 0.060 0.000 1.150 312 S CA -0.259 57.919 58.200 -0.037 0.000 1.057 312 S CB 0.734 63.874 63.200 -0.100 0.000 1.021 312 S HN 0.472 nan 8.310 nan 0.000 0.485 313 F N 3.670 123.632 119.950 0.020 0.000 2.436 313 F HA 0.660 5.187 4.527 -0.001 0.000 0.340 313 F C -0.138 175.724 175.800 0.103 0.000 1.113 313 F CA -0.402 57.656 58.000 0.097 0.000 1.022 313 F CB 0.816 39.990 39.000 0.291 0.000 1.128 313 F HN 0.385 nan 8.300 nan 0.000 0.466 314 K N 7.234 127.361 120.400 -0.455 0.000 2.513 314 K HA 0.557 4.876 4.320 -0.001 0.000 0.251 314 K C -2.115 174.424 176.600 -0.102 0.000 0.939 314 K CA -0.619 55.593 56.287 -0.126 0.000 0.793 314 K CB 1.499 33.978 32.500 -0.035 0.000 1.241 314 K HN 0.763 nan 8.250 nan 0.000 0.431 315 L N 6.050 127.382 121.223 0.182 0.000 2.341 315 L HA 0.682 5.022 4.340 -0.001 0.000 0.278 315 L C -0.762 176.371 176.870 0.438 0.000 1.005 315 L CA -0.825 54.131 54.840 0.193 0.000 0.818 315 L CB 0.942 43.104 42.059 0.171 0.000 1.259 315 L HN 0.706 nan 8.230 nan 0.000 0.418 316 F N -0.513 119.548 119.950 0.185 0.000 2.985 316 F HA 0.399 4.925 4.527 -0.001 0.000 0.322 316 F C 0.057 175.942 175.800 0.142 0.000 1.187 316 F CA -1.440 56.648 58.000 0.148 0.000 0.910 316 F CB 1.083 40.136 39.000 0.088 0.000 1.411 316 F HN 0.459 nan 8.300 nan 0.000 0.492 317 N N 0.345 119.212 118.700 0.279 0.000 2.716 317 N HA -0.210 4.529 4.740 -0.001 0.000 0.250 317 N C -0.968 174.541 175.510 -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 1.005 121.617 120.570 0.069 0.000 2.588 318 I HA 0.013 4.182 4.170 -0.001 0.000 0.283 318 I C 0.520 176.634 176.117 -0.004 0.000 1.119 318 I CA 0.484 61.820 61.300 0.059 0.000 1.419 318 I CB 0.668 38.781 38.000 0.189 0.000 1.394 318 I HN 0.143 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 -0.771 54.975 55.803 -0.094 0.000 0.798 319 Q CB 3.130 31.791 28.738 -0.129 0.000 1.286 319 Q HN 0.384 nan 8.270 nan 0.000 0.435 320 V N 3.365 123.208 119.914 -0.119 0.000 2.311 320 V HA 0.293 4.412 4.120 -0.001 0.000 0.275 320 V C -0.391 175.553 176.094 -0.251 0.000 1.022 320 V CA -0.707 61.493 62.300 -0.168 0.000 0.830 320 V CB 0.892 32.666 31.823 -0.082 0.000 1.012 320 V HN 0.545 nan 8.190 nan 0.000 0.452 321 K N 4.268 124.370 120.400 -0.497 0.000 2.183 321 K HA 0.497 4.817 4.320 -0.001 0.000 0.274 321 K C -0.119 176.232 176.600 -0.416 0.000 1.009 321 K CA -0.492 55.489 56.287 -0.511 0.000 0.888 321 K CB 2.201 34.259 32.500 -0.737 0.000 1.078 321 K HN 0.861 nan 8.250 nan 0.000 0.459 322 E N 0.517 120.628 120.200 -0.148 0.000 2.166 322 E HA 0.422 4.771 4.350 -0.001 0.000 0.275 322 E C -0.756 175.875 176.600 0.052 0.000 0.941 322 E CA -0.996 55.392 56.400 -0.021 0.000 0.784 322 E CB 1.874 31.573 29.700 -0.002 0.000 1.115 322 E HN 0.122 nan 8.360 nan 0.000 0.399 323 V N 2.755 122.737 119.914 0.114 0.000 2.630 323 V HA 0.751 4.871 4.120 -0.001 0.000 0.305 323 V C -0.910 175.227 176.094 0.071 0.000 1.046 323 V CA -0.016 62.351 62.300 0.111 0.000 0.934 323 V CB 1.927 33.837 31.823 0.145 0.000 1.003 323 V HN 1.001 nan 8.190 nan 0.000 0.451 324 T N 3.063 117.648 114.554 0.052 0.000 2.879 324 T HA 0.587 4.937 4.350 -0.001 0.000 0.290 324 T C -0.947 173.769 174.700 0.028 0.000 0.993 324 T CA -0.732 61.391 62.100 0.039 0.000 0.975 324 T CB 1.574 70.462 68.868 0.034 0.000 0.981 324 T HN 0.583 nan 8.240 nan 0.000 0.439 325 Q N 3.133 122.946 119.800 0.022 0.000 2.441 325 Q HA 0.405 4.745 4.340 -0.001 0.000 0.234 325 Q C 0.842 176.849 176.000 0.012 0.000 1.078 325 Q CA -0.508 55.304 55.803 0.014 0.000 0.907 325 Q CB 0.623 29.366 28.738 0.009 0.000 1.269 325 Q HN 0.547 nan 8.270 nan 0.000 0.502 326 N N 1.382 120.089 118.700 0.011 0.000 2.124 326 N HA -0.069 4.671 4.740 -0.001 0.000 0.189 326 N C 0.123 175.637 175.510 0.006 0.000 1.050 326 N CA 1.216 54.272 53.050 0.009 0.000 0.848 326 N CB 0.353 38.845 38.487 0.009 0.000 1.027 326 N HN 0.451 nan 8.380 nan 0.000 0.435 327 D N -1.371 119.031 120.400 0.004 0.000 3.013 327 D HA 0.206 4.845 4.640 -0.001 0.000 0.256 327 D C 1.021 177.321 176.300 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 0.659 115.213 114.554 0.000 0.000 2.881 329 T HA 0.504 4.854 4.350 -0.001 0.000 0.291 329 T C -0.153 174.549 174.700 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 0.107 nan 8.240 nan 0.000 0.438 330 T N 2.747 117.303 114.554 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 0.222 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 1.899 116.466 114.554 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 0.575 69.455 68.868 0.020 0.000 0.936 331 T HN 0.636 nan 8.240 nan 0.000 0.457 332 I N 1.989 122.588 120.570 0.048 0.000 2.433 332 I HA 0.731 4.901 4.170 -0.001 0.000 0.292 332 I C 0.218 176.356 176.117 0.034 0.000 1.001 332 I CA -1.044 60.299 61.300 0.071 0.000 1.119 332 I CB 1.675 39.751 38.000 0.127 0.000 1.289 332 I HN 0.954 nan 8.210 nan 0.000 0.438 333 A N 5.126 127.953 122.820 0.012 0.000 2.525 333 A HA 0.665 4.985 4.320 -0.001 0.000 0.291 333 A C -1.220 176.338 177.584 -0.042 0.000 1.268 333 A CA -0.782 51.248 52.037 -0.010 0.000 0.712 333 A CB 1.387 20.386 19.000 -0.002 0.000 1.320 333 A HN 0.620 nan 8.150 nan 0.000 0.456 334 N N 2.007 120.684 118.700 -0.038 0.000 2.422 334 N HA 0.254 4.993 4.740 -0.001 0.000 0.266 334 N C -1.266 174.220 175.510 -0.040 0.000 1.007 334 N CA -0.186 52.833 53.050 -0.052 0.000 0.941 334 N CB 1.247 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 3.801 122.470 118.700 -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 -0.267 52.763 53.050 -0.032 0.000 0.949 335 N CB 0.161 38.630 38.487 -0.031 0.000 1.214 335 N HN 0.486 nan 8.380 nan 0.000 0.504 336 L N 0.536 121.749 121.223 -0.018 0.000 2.046 336 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 336 L C 2.000 178.869 176.870 -0.002 0.000 1.077 336 L CA 1.530 56.364 54.840 -0.010 0.000 0.747 336 L CB -0.754 41.302 42.059 -0.005 0.000 0.896 336 L HN 0.505 nan 8.230 nan 0.000 0.432 337 T N -3.968 110.585 114.554 -0.001 0.000 3.227 337 T HA -0.010 4.339 4.350 -0.001 0.000 0.257 337 T C 0.817 175.518 174.700 0.002 0.000 1.162 337 T CA 0.015 62.117 62.100 0.003 0.000 1.051 337 T CB -0.101 68.769 68.868 0.004 0.000 0.953 337 T HN 0.118 nan 8.240 nan 0.000 0.535 338 S N 1.597 117.295 115.700 -0.003 0.000 2.616 338 S HA 0.600 5.069 4.470 -0.001 0.000 0.277 338 S C 0.236 174.838 174.600 0.003 0.000 1.234 338 S CA -0.573 57.623 58.200 -0.006 0.000 1.028 338 S CB 1.066 64.257 63.200 -0.016 0.000 0.988 338 S HN 0.715 nan 8.310 nan 0.000 0.522 339 T N 0.046 114.601 114.554 0.002 0.000 2.926 339 T HA 0.776 5.125 4.350 -0.001 0.000 0.289 339 T C -0.581 174.128 174.700 0.015 0.000 1.054 339 T CA -0.767 61.344 62.100 0.019 0.000 1.015 339 T CB 1.347 70.229 68.868 0.023 0.000 1.167 339 T HN 0.562 nan 8.240 nan 0.000 0.526 340 V N 0.188 120.125 119.914 0.039 0.000 3.040 340 V HA 0.593 4.713 4.120 -0.001 0.000 0.312 340 V C -1.650 174.468 176.094 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 3.224 123.032 119.800 0.013 0.000 2.330 341 Q HA 0.736 5.076 4.340 -0.001 0.000 0.269 341 Q C -1.568 174.565 176.000 0.222 0.000 1.022 341 Q CA -0.643 55.231 55.803 0.119 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 2.988 122.997 119.914 0.159 0.000 2.823 342 V HA 0.757 4.876 4.120 -0.001 0.000 0.312 342 V C -0.772 175.351 176.094 0.047 0.000 1.072 342 V CA -0.900 61.367 62.300 -0.055 0.000 0.937 342 V CB 1.401 32.865 31.823 -0.599 0.000 1.013 342 V HN 0.778 nan 8.190 nan 0.000 0.430 343 F N 0.307 120.092 119.950 -0.274 0.000 2.703 343 F HA 0.727 5.254 4.527 -0.001 0.000 0.308 343 F C -0.904 174.683 175.800 -0.356 0.000 1.126 343 F CA -0.629 57.231 58.000 -0.234 0.000 0.959 343 F CB 1.851 40.746 39.000 -0.177 0.000 1.297 343 F HN 0.462 nan 8.300 nan 0.000 0.441 344 T N 1.503 115.902 114.554 -0.259 0.000 2.786 344 T HA 0.275 4.625 4.350 -0.001 0.000 0.283 344 T C -1.157 173.337 174.700 -0.343 0.000 0.992 344 T CA -0.383 61.404 62.100 -0.522 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 0.221 4.861 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 0.105 53.901 54.000 -0.339 0.000 1.027 345 D CB 0.118 40.675 40.800 -0.405 0.000 1.084 345 D HN 0.450 nan 8.370 nan 0.000 0.514 346 S N 2.296 117.805 115.700 -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 57.886 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 0.458 120.547 120.200 -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 56.197 56.400 -0.019 0.000 0.866 347 E CB -0.125 29.596 29.700 0.034 0.000 0.916 347 E HN 0.544 nan 8.360 nan 0.000 0.500 348 Y N 0.388 120.706 120.300 0.029 0.000 3.078 348 Y HA -0.302 4.248 4.550 -0.001 0.000 0.202 348 Y C 1.057 176.945 175.900 -0.020 0.000 1.322 348 Y CA 0.324 58.426 58.100 0.004 0.000 1.118 348 Y CB -2.262 36.200 38.460 0.004 0.000 1.343 348 Y HN 0.206 nan 8.280 nan 0.000 0.499 349 Q N -0.249 119.593 119.800 0.069 0.000 2.378 349 Q HA 0.265 4.605 4.340 -0.001 0.000 0.216 349 Q C 0.362 176.245 176.000 -0.196 0.000 0.892 349 Q CA 0.090 55.906 55.803 0.022 0.000 0.931 349 Q CB 0.699 29.526 28.738 0.148 0.000 1.086 349 Q HN 0.510 nan 8.270 nan 0.000 0.528 350 L N 2.416 123.489 121.223 -0.250 0.000 2.312 350 L HA 0.354 4.693 4.340 -0.001 0.000 0.281 350 L C -2.207 174.521 176.870 -0.237 0.000 1.070 350 L CA -2.316 52.248 54.840 -0.461 0.000 0.805 350 L CB 0.884 42.609 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 63.336 63.100 0.007 0.000 0.762 351 P CB -0.022 31.717 31.700 0.065 0.000 0.764 352 Y N 3.961 124.270 120.300 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 0.409 58.521 58.100 0.021 0.000 1.306 352 Y CB 0.450 38.943 38.460 0.055 0.000 1.149 352 Y HN 0.155 nan 8.280 nan 0.000 0.527 353 V N 6.996 126.745 119.914 -0.276 0.000 3.621 353 V HA 0.158 4.278 4.120 -0.001 0.000 0.285 353 V C 0.456 176.360 176.094 -0.317 0.000 1.346 353 V CA 0.218 62.363 62.300 -0.259 0.000 1.104 353 V CB -0.470 31.123 31.823 -0.383 0.000 0.913 353 V HN 0.580 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 1.459 178.283 176.870 -0.075 0.000 1.171 354 L CA 0.513 55.136 54.840 -0.362 0.000 0.809 354 L CB 0.230 41.974 42.059 -0.525 0.000 1.155 354 L HN 0.305 nan 8.230 nan 0.000 0.473 355 G N 0.507 109.241 108.800 -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 0.382 175.290 174.900 0.013 0.000 1.042 355 G CA 0.372 45.432 45.100 -0.067 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 1.454 175.976 174.600 -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 2.188 nan 8.310 nan 0.000 0.548 357 A N 1.508 124.288 122.820 -0.067 0.000 2.861 357 A HA -0.214 4.105 4.320 -0.001 0.000 0.261 357 A C 0.331 177.862 177.584 -0.089 0.000 1.351 357 A CA 0.882 52.879 52.037 -0.068 0.000 0.904 357 A CB -2.280 16.674 19.000 -0.077 0.000 1.076 357 A HN 0.674 nan 8.150 nan 0.000 0.729 358 H N 0.099 119.164 119.070 -0.008 0.000 2.745 358 H HA 0.297 4.852 4.556 -0.001 0.000 0.373 358 H C 0.945 176.293 175.328 0.034 0.000 1.226 358 H CA 0.857 56.914 56.048 0.014 0.000 1.435 358 H CB 0.364 30.140 29.762 0.024 0.000 1.461 358 H HN 0.741 nan 8.280 nan 0.000 0.616 359 Q N -0.870 119.041 119.800 0.186 0.000 2.180 359 Q HA 0.414 4.754 4.340 -0.001 0.000 0.241 359 Q C 0.584 176.646 176.000 0.103 0.000 0.970 359 Q CA -0.291 55.586 55.803 0.123 0.000 0.919 359 Q CB 1.679 30.478 28.738 0.102 0.000 1.222 359 Q HN 0.971 nan 8.270 nan 0.000 0.482 360 G N -0.496 108.347 108.800 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 0.222 175.098 174.900 -0.040 0.000 1.007 360 G CA -0.371 44.750 45.100 0.035 0.000 0.672 360 G HN 0.608 nan 8.290 nan 0.000 0.507 361 C N 0.268 119.548 119.300 -0.033 0.000 2.827 361 C HA 0.557 5.016 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 -0.343 58.618 59.018 -0.095 0.000 2.161 361 C CB -0.330 27.385 27.740 -0.041 0.000 2.120 361 C HN 0.493 nan 8.230 nan 0.000 0.676 362 L N 2.147 123.219 121.223 -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 -0.058 0.000 1.138 362 L CA -1.240 53.394 54.840 -0.343 0.000 0.832 362 L CB 0.028 41.987 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 0.165 0.000 1.193 363 P CA -0.903 62.284 63.100 0.145 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 0.257 177.538 177.300 -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 0.108 119.863 119.950 -0.326 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 -2.864 54.893 58.000 -0.405 0.000 1.162 365 F CB 0.789 39.480 39.000 -0.514 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 1.024 178.291 177.300 -0.054 0.000 1.150 366 P CA 1.924 64.920 63.100 -0.174 0.000 0.837 366 P CB 0.062 31.653 31.700 -0.182 0.000 0.786 367 A N -1.143 121.486 122.820 -0.318 0.000 2.119 367 A HA -0.057 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 0.771 52.798 52.037 -0.017 0.000 0.692 367 A CB -1.010 18.038 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 -0.208 176.248 176.300 0.260 0.000 1.108 368 D CA 0.164 54.321 54.000 0.262 0.000 0.894 368 D CB 1.396 42.365 40.800 0.283 0.000 1.203 368 D HN -0.016 nan 8.370 nan 0.000 0.430 369 V N 2.509 122.554 119.914 0.220 0.000 2.612 369 V HA 0.560 4.680 4.120 -0.001 0.000 0.301 369 V C -0.131 176.126 176.094 0.272 0.000 1.046 369 V CA -0.745 61.680 62.300 0.208 0.000 0.946 369 V CB 0.957 32.830 31.823 0.083 0.000 1.003 369 V HN 0.446 nan 8.190 nan 0.000 0.459 370 F N 1.931 121.965 119.950 0.142 0.000 2.593 370 F HA 0.787 5.314 4.527 -0.001 0.000 0.320 370 F C -0.528 175.351 175.800 0.132 0.000 1.060 370 F CA -1.330 56.749 58.000 0.133 0.000 0.940 370 F CB 1.989 41.078 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 -1.338 175.045 176.300 0.139 0.000 1.171 371 M CA -0.850 54.482 55.300 0.053 0.000 1.069 371 M CB 1.460 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 8.273 128.187 119.914 0.000 0.000 2.439 372 V HA 0.193 4.312 4.120 -0.001 0.000 0.271 372 V C -1.996 174.025 176.094 -0.122 0.000 1.040 372 V CA -1.158 61.084 62.300 -0.096 0.000 1.002 372 V CB 0.151 31.765 31.823 -0.349 0.000 1.000 372 V HN 0.762 nan 8.190 nan 0.000 0.477 373 P HA 0.066 nan 4.420 nan 0.000 0.271 373 P C -0.567 176.335 177.300 -0.663 0.000 1.238 373 P CA -0.164 62.650 63.100 -0.476 0.000 0.794 373 P CB 0.482 31.712 31.700 -0.783 0.000 0.959 374 Q N 0.224 119.639 119.800 -0.641 0.000 2.266 374 Q HA 0.286 4.625 4.340 -0.001 0.000 0.261 374 Q C -1.407 174.597 176.000 0.008 0.000 0.985 374 Q CA -0.827 54.551 55.803 -0.708 0.000 0.873 374 Q CB 0.680 28.700 28.738 -1.196 0.000 1.306 374 Q HN 0.361 nan 8.270 nan 0.000 0.447 375 Y N 1.366 121.676 120.300 0.017 0.000 2.336 375 Y HA 0.553 5.103 4.550 -0.001 0.000 0.335 375 Y C -0.290 175.651 175.900 0.069 0.000 1.046 375 Y CA 0.255 58.406 58.100 0.086 0.000 1.198 375 Y CB 1.149 39.661 38.460 0.087 0.000 1.182 375 Y HN 0.625 nan 8.280 nan 0.000 0.502 376 G N 5.808 114.307 108.800 -0.502 0.000 2.731 376 G HA2 0.492 4.451 3.960 -0.001 0.000 0.298 376 G HA3 0.492 4.451 3.960 -0.001 0.000 0.298 376 G C -2.243 172.404 174.900 -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 -0.112 120.004 120.300 -0.306 0.000 2.605 377 Y HA 0.839 5.388 4.550 -0.001 0.000 0.343 377 Y C -0.925 175.000 175.900 0.043 0.000 1.036 377 Y CA -1.636 56.363 58.100 -0.169 0.000 1.065 377 Y CB 1.589 39.991 38.460 -0.097 0.000 1.288 377 Y HN 0.459 nan 8.280 nan 0.000 0.481 378 L N 1.396 122.737 121.223 0.196 0.000 2.304 378 L HA 0.838 5.178 4.340 -0.001 0.000 0.268 378 L C -0.441 176.623 176.870 0.323 0.000 1.010 378 L CA -0.743 54.208 54.840 0.186 0.000 0.813 378 L CB 2.479 44.641 42.059 0.172 0.000 1.315 378 L HN 0.939 nan 8.230 nan 0.000 0.445 379 T N 0.002 114.740 114.554 0.307 0.000 2.812 379 T HA 0.356 4.706 4.350 -0.001 0.000 0.294 379 T C -1.045 173.821 174.700 0.277 0.000 1.159 379 T CA -0.715 61.590 62.100 0.340 0.000 1.008 379 T CB 1.599 70.720 68.868 0.422 0.000 1.289 379 T HN 0.222 nan 8.240 nan 0.000 0.514 380 L N 3.325 124.685 121.223 0.229 0.000 2.540 380 L HA 0.354 4.693 4.340 -0.001 0.000 0.276 380 L C -0.089 176.864 176.870 0.138 0.000 1.212 380 L CA 0.385 55.323 54.840 0.163 0.000 0.893 380 L CB -0.691 41.443 42.059 0.125 0.000 1.138 380 L HN 0.899 nan 8.230 nan 0.000 0.491 381 N N 1.700 120.463 118.700 0.105 0.000 2.329 381 N HA 0.336 5.075 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 -0.802 52.274 53.050 0.043 0.000 0.790 381 N CB 0.953 39.510 38.487 0.117 0.000 1.579 381 N HN 0.422 nan 8.380 nan 0.000 0.475 382 N N 0.836 119.497 118.700 -0.065 0.000 3.044 382 N HA 0.392 5.132 4.740 -0.001 0.000 0.254 382 N C 0.554 175.985 175.510 -0.132 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 -0.079 0.000 1.217 382 N HN 1.025 nan 8.380 nan 0.000 0.498 383 G N 1.834 110.548 108.800 -0.144 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 -0.367 0.000 1.153 383 G CA 0.497 45.359 45.100 -0.397 0.000 0.954 383 G HN 0.719 nan 8.290 nan 0.000 0.552 384 S N 0.387 115.836 115.700 -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 1.461 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 -0.412 0.000 0.983 385 Q CA -0.512 55.117 55.803 -0.290 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 -0.790 176.623 177.584 -0.284 0.000 1.132 386 A CA -0.619 51.078 52.037 -0.567 0.000 0.811 386 A CB 1.074 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 0.065 119.887 119.914 -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 -0.055 0.000 1.074 387 V CA 0.299 62.551 62.300 -0.080 0.000 1.033 387 V CB 1.316 33.123 31.823 -0.028 0.000 1.111 387 V HN 1.163 nan 8.190 nan 0.000 0.458 388 G N 0.322 109.102 108.800 -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 4.527 4.340 -0.001 0.000 0.202 389 R C 0.595 176.935 176.300 0.066 0.000 0.933 389 R CA -0.177 55.947 56.100 0.041 0.000 1.054 389 R CB 0.163 30.489 30.300 0.043 0.000 0.985 389 R HN 0.182 nan 8.270 nan 0.000 0.489 390 S N 0.391 116.135 115.700 0.074 0.000 2.589 390 S HA 0.148 4.618 4.470 -0.001 0.000 0.265 390 S C 0.175 174.846 174.600 0.120 0.000 1.342 390 S CA -0.041 58.240 58.200 0.134 0.000 1.005 390 S CB 1.287 64.592 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 0.537 5.007 4.470 -0.001 0.000 0.299 391 S C -1.179 173.324 174.600 -0.162 0.000 1.105 391 S CA -0.575 57.566 58.200 -0.098 0.000 1.018 391 S CB 0.870 63.931 63.200 -0.231 0.000 1.021 391 S HN 0.527 nan 8.310 nan 0.000 0.483 392 F N 3.886 123.573 119.950 -0.439 0.000 2.427 392 F HA 0.619 5.146 4.527 -0.001 0.000 0.346 392 F C -1.535 173.943 175.800 -0.537 0.000 1.120 392 F CA -1.250 56.465 58.000 -0.476 0.000 1.033 392 F CB 0.448 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 5.224 125.187 120.300 -0.562 0.000 2.341 393 Y HA 0.457 5.006 4.550 -0.001 0.000 0.338 393 Y C -0.283 175.142 175.900 -0.791 0.000 0.965 393 Y CA -0.954 56.798 58.100 -0.581 0.000 1.108 393 Y CB 1.670 39.874 38.460 -0.427 0.000 1.180 393 Y HN 0.721 nan 8.280 nan 0.000 0.458 394 C N 5.959 124.957 119.300 -0.504 0.000 2.281 394 C HA 0.406 4.865 4.460 -0.001 0.000 0.323 394 C C 0.825 175.825 174.990 0.017 0.000 1.270 394 C CA -0.731 58.004 59.018 -0.472 0.000 1.559 394 C CB -0.975 26.464 27.740 -0.501 0.000 2.239 394 C HN 0.976 nan 8.230 nan 0.000 0.488 395 L N 4.388 125.689 121.223 0.129 0.000 2.622 395 L HA 0.096 4.436 4.340 -0.001 0.000 0.233 395 L C 2.230 179.138 176.870 0.062 0.000 1.156 395 L CA 1.300 56.099 54.840 -0.068 0.000 0.866 395 L CB -0.467 41.178 42.059 -0.690 0.000 0.980 395 L HN 0.688 nan 8.230 nan 0.000 0.448 396 E N -1.641 118.749 120.200 0.317 0.000 2.371 396 E HA -0.134 4.215 4.350 -0.001 0.000 0.194 396 E C 1.347 178.043 176.600 0.159 0.000 1.012 396 E CA 0.519 57.110 56.400 0.318 0.000 0.860 396 E CB -0.089 29.828 29.700 0.362 0.000 0.811 396 E HN 0.548 nan 8.360 nan 0.000 0.502 397 Y N -0.076 120.216 120.300 -0.014 0.000 2.477 397 Y HA 0.080 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 -0.137 57.869 58.100 -0.157 0.000 1.282 397 Y CB -0.032 38.309 38.460 -0.199 0.000 1.071 397 Y HN -0.229 nan 8.280 nan 0.000 0.510 398 F N 1.338 121.033 119.950 -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 -3.117 54.474 58.000 -0.682 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 0.123 nan 4.420 nan 0.000 0.262 399 P C -0.974 176.249 177.300 -0.128 0.000 1.199 399 P CA -0.002 62.989 63.100 -0.182 0.000 0.763 399 P CB 0.537 32.157 31.700 -0.134 0.000 0.790 400 S N 1.836 117.525 115.700 -0.019 0.000 2.548 400 S HA 0.397 4.867 4.470 -0.001 0.000 0.286 400 S C -0.810 173.887 174.600 0.161 0.000 1.098 400 S CA -0.992 57.290 58.200 0.136 0.000 0.930 400 S CB 1.682 65.046 63.200 0.274 0.000 1.070 400 S HN 0.431 nan 8.310 nan 0.000 0.480 401 Q N 1.963 121.889 119.800 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 -0.267 55.654 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 0.748 nan 8.270 nan 0.000 0.417 402 M N 4.306 123.986 119.600 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 -0.677 54.687 55.300 0.107 0.000 1.069 402 M CB 0.982 33.627 32.600 0.076 0.000 1.622 402 M HN 0.445 nan 8.290 nan 0.000 0.459 403 L N 2.656 123.943 121.223 0.106 0.000 2.362 403 L HA 0.604 4.944 4.340 -0.001 0.000 0.275 403 L C -0.176 176.748 176.870 0.090 0.000 0.998 403 L CA -0.356 54.553 54.840 0.115 0.000 0.820 403 L CB 1.762 43.913 42.059 0.154 0.000 1.270 403 L HN 0.596 nan 8.230 nan 0.000 0.415 404 R N -0.101 120.447 120.500 0.079 0.000 2.606 404 R HA 0.650 4.990 4.340 -0.001 0.000 0.249 404 R C -0.526 175.816 176.300 0.069 0.000 1.127 404 R CA -0.538 55.598 56.100 0.060 0.000 1.133 404 R CB 1.019 31.347 30.300 0.046 0.000 1.243 404 R HN 0.639 nan 8.270 nan 0.000 0.558 405 T N 0.814 115.398 114.554 0.050 0.000 2.784 405 T HA 0.335 4.685 4.350 -0.001 0.000 0.291 405 T C 0.787 175.522 174.700 0.058 0.000 0.942 405 T CA 0.952 63.082 62.100 0.051 0.000 1.161 405 T CB 0.521 69.404 68.868 0.026 0.000 0.885 405 T HN 0.785 nan 8.240 nan 0.000 0.534 406 G N 3.554 112.402 108.800 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 0.019 174.975 174.900 0.094 0.000 0.997 406 G CA -0.793 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 1.656 120.422 118.700 0.109 0.000 2.508 407 N HA 0.598 5.338 4.740 -0.001 0.000 0.285 407 N C -0.133 175.482 175.510 0.175 0.000 1.144 407 N CA -0.119 53.008 53.050 0.127 0.000 0.978 407 N CB 1.159 39.721 38.487 0.125 0.000 1.180 407 N HN 0.683 nan 8.380 nan 0.000 0.484 408 N N -0.347 118.465 118.700 0.187 0.000 2.455 408 N HA 0.439 5.179 4.740 -0.001 0.000 0.278 408 N C -1.759 173.921 175.510 0.285 0.000 1.291 408 N CA -0.583 52.614 53.050 0.245 0.000 0.780 408 N CB 1.327 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 0.532 5.058 4.527 -0.000 0.000 0.322 409 F C -0.692 175.209 175.800 0.168 0.000 1.103 409 F CA -0.454 57.640 58.000 0.157 0.000 0.926 409 F CB 2.032 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 5.109 124.541 119.800 -0.614 0.000 2.375 410 Q HA 0.612 4.952 4.340 -0.001 0.000 0.271 410 Q C -2.097 173.674 176.000 -0.381 0.000 1.074 410 Q CA -0.609 54.993 55.803 -0.335 0.000 0.808 410 Q CB 2.167 30.788 28.738 -0.194 0.000 1.327 410 Q HN 0.679 nan 8.270 nan 0.000 0.441 411 F N 1.052 120.871 119.950 -0.219 0.000 2.622 411 F HA 0.599 5.125 4.527 -0.001 0.000 0.318 411 F C -1.527 174.263 175.800 -0.017 0.000 1.135 411 F CA -0.251 57.679 58.000 -0.116 0.000 1.015 411 F CB 1.681 40.684 39.000 0.005 0.000 1.275 411 F HN 0.484 nan 8.300 nan 0.000 0.457 412 S N 5.181 120.374 115.700 -0.846 0.000 2.500 412 S HA 0.561 5.031 4.470 -0.001 0.000 0.301 412 S C -1.891 172.187 174.600 -0.869 0.000 1.092 412 S CA -0.555 57.244 58.200 -0.669 0.000 1.030 412 S CB 1.665 64.642 63.200 -0.372 0.000 1.031 412 S HN 0.623 nan 8.310 nan 0.000 0.483 413 Y N 1.352 121.224 120.300 -0.714 0.000 2.545 413 Y HA 0.638 5.187 4.550 -0.001 0.000 0.348 413 Y C -0.959 174.673 175.900 -0.447 0.000 1.002 413 Y CA -0.469 57.277 58.100 -0.589 0.000 1.039 413 Y CB 1.801 39.956 38.460 -0.508 0.000 1.271 413 Y HN 0.522 nan 8.280 nan 0.000 0.467 414 T N 6.317 120.096 114.554 -1.291 0.000 2.864 414 T HA 0.380 4.730 4.350 -0.001 0.000 0.299 414 T C -0.876 173.110 174.700 -1.191 0.000 1.011 414 T CA -0.431 61.098 62.100 -0.952 0.000 0.975 414 T CB -0.087 68.472 68.868 -0.515 0.000 0.962 414 T HN 0.453 nan 8.240 nan 0.000 0.448 415 F N 2.973 122.470 119.950 -0.756 0.000 2.595 415 F HA 0.137 4.664 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 -0.430 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 0.656 120.866 120.200 0.017 0.000 2.622 416 E HA 0.175 4.525 4.350 -0.001 0.000 0.255 416 E C -1.186 175.395 176.600 -0.031 0.000 1.313 416 E CA -0.980 55.409 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 -1.136 175.135 176.300 -0.049 0.000 1.223 417 D CA 0.123 54.090 54.000 -0.055 0.000 0.886 417 D CB 1.194 41.975 40.800 -0.032 0.000 1.120 417 D HN 0.230 nan 8.370 nan 0.000 0.482 418 V N 4.565 124.419 119.914 -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 -2.217 60.053 62.300 -0.050 0.000 0.894 418 V CB 2.153 33.959 31.823 -0.028 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 -0.437 176.995 177.300 0.219 0.000 1.175 419 P CA 0.397 63.580 63.100 0.137 0.000 0.761 419 P CB 0.008 31.792 31.700 0.139 0.000 0.794 420 F N 1.338 121.381 119.950 0.154 0.000 2.628 420 F HA -0.015 4.511 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 0.654 58.765 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 0.646 119.822 119.070 0.176 0.000 2.607 421 H HA 0.259 4.814 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 55.442 56.048 -0.086 0.000 1.402 421 H CB 0.760 30.229 29.762 -0.488 0.000 1.474 421 H HN 0.449 nan 8.280 nan 0.000 0.596 422 S N 2.757 117.846 115.700 -1.019 0.000 2.681 422 S HA 0.065 4.535 4.470 -0.001 0.000 0.313 422 S C 0.201 174.382 174.600 -0.697 0.000 1.137 422 S CA -0.367 57.349 58.200 -0.807 0.000 1.045 422 S CB 0.054 62.634 63.200 -1.034 0.000 1.208 422 S HN 0.596 nan 8.310 nan 0.000 0.523 423 S N 2.736 118.373 115.700 -0.105 0.000 2.763 423 S HA 0.202 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 -0.445 57.812 58.200 0.095 0.000 1.017 423 S CB -0.589 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 -1.581 118.600 120.300 -0.198 0.000 2.638 424 Y HA 0.886 5.435 4.550 -0.001 0.000 0.339 424 Y C -0.768 174.916 175.900 -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 1.251 123.937 122.820 -0.223 0.000 2.422 425 A HA 0.524 4.843 4.320 -0.001 0.000 0.302 425 A C -1.543 175.927 177.584 -0.190 0.000 1.041 425 A CA -0.909 50.958 52.037 -0.284 0.000 0.708 425 A CB 0.707 19.617 19.000 -0.150 0.000 1.257 425 A HN 0.862 nan 8.150 nan 0.000 0.414 426 H N 1.984 121.051 119.070 -0.005 0.000 2.803 426 H HA 0.127 4.683 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 0.921 56.970 56.048 0.001 0.000 1.458 426 H CB 1.188 30.944 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 -0.093 58.148 58.200 0.069 0.000 0.914 427 S CB 0.558 63.794 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 -0.858 175.151 176.000 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 30.599 28.738 0.011 0.000 1.286 428 Q HN 0.305 nan 8.270 nan 0.000 0.480 429 S N -0.464 115.232 115.700 -0.007 0.000 2.638 429 S HA 0.380 4.850 4.470 -0.001 0.000 0.302 429 S C 0.716 175.296 174.600 -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 1.455 122.657 121.223 -0.034 0.000 2.017 430 L HA -0.077 4.262 4.340 -0.001 0.000 0.208 430 L C 2.019 178.901 176.870 0.020 0.000 1.073 430 L CA 1.891 56.727 54.840 -0.007 0.000 0.745 430 L CB -0.342 41.721 42.059 0.007 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 0.948 177.241 176.300 -0.012 0.000 0.966 431 D CA 0.383 54.378 54.000 -0.009 0.000 0.868 431 D CB -0.066 40.718 40.800 -0.027 0.000 0.943 431 D HN 0.167 nan 8.370 nan 0.000 0.514 432 R N 0.979 121.474 120.500 -0.009 0.000 3.863 432 R HA 0.229 4.569 4.340 -0.001 0.000 0.304 432 R C 0.730 177.030 176.300 -0.001 0.000 1.485 432 R CA -0.258 55.837 56.100 -0.008 0.000 1.355 432 R CB 0.341 30.637 30.300 -0.006 0.000 1.457 432 R HN 0.215 nan 8.270 nan 0.000 0.669 433 L N 0.410 121.637 121.223 0.006 0.000 2.575 433 L HA 0.197 4.536 4.340 -0.001 0.000 0.228 433 L C 0.440 177.318 176.870 0.015 0.000 1.075 433 L CA 0.763 55.613 54.840 0.016 0.000 0.867 433 L CB 0.156 42.241 42.059 0.044 0.000 1.097 433 L HN 0.158 nan 8.230 nan 0.000 0.485 434 M N -0.717 118.884 119.600 0.002 0.000 1.801 434 M HA 0.215 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 -0.057 55.238 55.300 -0.009 0.000 0.893 434 M CB -0.818 31.763 32.600 -0.032 0.000 1.199 434 M HN -0.135 nan 8.290 nan 0.000 0.482 435 N N 0.480 119.170 118.700 -0.017 0.000 2.422 435 N HA 0.347 5.087 4.740 -0.001 0.000 0.266 435 N C -2.212 173.289 175.510 -0.015 0.000 1.007 435 N CA -1.678 51.365 53.050 -0.012 0.000 0.941 435 N CB 1.051 39.533 38.487 -0.009 0.000 1.115 435 N HN 0.325 nan 8.380 nan 0.000 0.492 436 P HA -0.012 nan 4.420 nan 0.000 0.225 436 P C 0.901 178.195 177.300 -0.009 0.000 1.148 436 P CA 0.644 63.738 63.100 -0.010 0.000 0.779 436 P CB 0.552 32.248 31.700 -0.006 0.000 0.780 437 L N -2.043 119.176 121.223 -0.007 0.000 2.316 437 L HA 0.127 4.466 4.340 -0.001 0.000 0.207 437 L C 1.084 177.951 176.870 -0.004 0.000 1.070 437 L CA 0.757 55.594 54.840 -0.005 0.000 0.820 437 L CB -0.422 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 -0.411 120.155 120.570 -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 -0.833 60.464 61.300 -0.006 0.000 1.189 438 I CB 1.010 39.011 38.000 0.001 0.000 1.355 438 I HN -0.019 nan 8.210 nan 0.000 0.476 439 D N 2.942 123.330 120.400 -0.019 0.000 2.253 439 D HA 0.359 4.999 4.640 -0.001 0.000 0.249 439 D C 0.059 176.318 176.300 -0.068 0.000 1.049 439 D CA -0.403 53.574 54.000 -0.039 0.000 0.929 439 D CB 0.771 41.553 40.800 -0.030 0.000 1.176 439 D HN 0.338 nan 8.370 nan 0.000 0.437 440 Q N 0.249 119.977 119.800 -0.120 0.000 2.417 440 Q HA 0.137 4.477 4.340 -0.001 0.000 0.241 440 Q C 0.175 176.066 176.000 -0.181 0.000 1.008 440 Q CA -0.237 55.431 55.803 -0.225 0.000 0.901 440 Q CB 0.637 29.226 28.738 -0.248 0.000 1.259 440 Q HN 0.676 nan 8.270 nan 0.000 0.489 441 Y N -0.843 119.423 120.300 -0.057 0.000 2.457 441 Y HA 0.367 4.917 4.550 -0.001 0.000 0.263 441 Y C -0.063 175.819 175.900 -0.031 0.000 1.164 441 Y CA -0.494 57.580 58.100 -0.043 0.000 1.274 441 Y CB 0.296 38.762 38.460 0.010 0.000 1.097 441 Y HN 0.248 nan 8.280 nan 0.000 0.523 442 L N 0.909 122.098 121.223 -0.057 0.000 2.399 442 L HA 0.370 4.710 4.340 -0.001 0.000 0.265 442 L C -1.022 175.827 176.870 -0.036 0.000 1.089 442 L CA -0.944 53.933 54.840 0.063 0.000 0.802 442 L CB 0.936 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 0.511 120.871 120.300 0.101 0.000 2.429 443 Y HA 0.461 5.010 4.550 -0.001 0.000 0.342 443 Y C -0.411 175.595 175.900 0.178 0.000 1.004 443 Y CA -0.573 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 0.379 120.826 120.300 0.246 0.000 2.605 444 Y HA 0.735 5.284 4.550 -0.001 0.000 0.343 444 Y C -1.702 174.401 175.900 0.338 0.000 1.036 444 Y CA -1.753 56.481 58.100 0.223 0.000 1.065 444 Y CB 1.162 39.684 38.460 0.103 0.000 1.288 444 Y HN 0.545 nan 8.280 nan 0.000 0.481 445 L N 2.885 124.316 121.223 0.346 0.000 2.276 445 L HA 0.404 4.744 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 -0.165 54.740 54.840 0.109 0.000 0.807 445 L CB 0.882 42.979 42.059 0.062 0.000 1.177 445 L HN 1.070 nan 8.230 nan 0.000 0.429 446 N N 2.187 120.854 118.700 -0.054 0.000 2.145 446 N HA 0.173 4.913 4.740 -0.001 0.000 0.219 446 N C -0.487 175.009 175.510 -0.025 0.000 1.266 446 N CA -0.648 52.431 53.050 0.048 0.000 0.902 446 N CB 0.641 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 0.965 121.399 120.500 -0.111 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 -0.147 0.000 0.984 447 R CA -0.311 55.725 56.100 -0.107 0.000 0.882 447 R CB 1.480 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 4.306 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 0.484 62.527 62.100 -0.096 0.000 1.107 448 T CB 0.406 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 0.971 120.736 119.800 -0.059 0.000 2.534 449 Q HA 0.371 4.711 4.340 -0.001 0.000 0.207 449 Q C 1.598 177.574 176.000 -0.041 0.000 0.735 449 Q CA -0.013 55.763 55.803 -0.045 0.000 0.904 449 Q CB -0.568 28.151 28.738 -0.032 0.000 1.294 449 Q HN 0.293 nan 8.270 nan 0.000 0.553 450 G N 2.268 111.046 108.800 -0.035 0.000 2.198 450 G HA2 0.195 4.154 3.960 -0.001 0.000 0.280 450 G HA3 0.195 4.154 3.960 -0.001 0.000 0.280 450 G C -0.308 174.573 174.900 -0.032 0.000 0.954 450 G CA 0.768 45.851 45.100 -0.029 0.000 1.281 450 G HN 0.364 nan 8.290 nan 0.000 0.373 451 T N 0.951 115.488 114.554 -0.028 0.000 2.849 451 T HA 0.307 4.657 4.350 -0.001 0.000 0.272 451 T C 1.027 175.716 174.700 -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 -0.027 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 4.455 4.350 -0.001 0.000 0.221 452 T C 0.457 175.151 174.700 -0.011 0.000 0.939 452 T CA 0.129 62.222 62.100 -0.011 0.000 1.218 452 T CB -0.789 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 1.947 117.640 115.700 -0.011 0.000 2.429 453 S HA 0.482 4.952 4.470 -0.001 0.000 0.292 453 S C 1.147 175.742 174.600 -0.008 0.000 1.183 453 S CA 0.179 58.373 58.200 -0.010 0.000 1.088 453 S CB -0.125 63.068 63.200 -0.011 0.000 1.018 453 S HN 0.843 nan 8.310 nan 0.000 0.511 454 G N 3.582 112.377 108.800 -0.008 0.000 4.170 454 G HA2 0.161 4.120 3.960 -0.001 0.000 0.143 454 G HA3 0.161 4.120 3.960 -0.001 0.000 0.143 454 G C -0.295 174.601 174.900 -0.006 0.000 1.261 454 G CA -0.220 44.876 45.100 -0.006 0.000 1.043 454 G HN 0.583 nan 8.290 nan 0.000 0.382 455 T N 2.285 116.835 114.554 -0.006 0.000 2.794 455 T HA 0.498 4.848 4.350 -0.001 0.000 0.280 455 T C 0.347 175.043 174.700 -0.007 0.000 0.987 455 T CA 0.611 62.707 62.100 -0.006 0.000 0.993 455 T CB 1.347 70.212 68.868 -0.005 0.000 0.939 455 T HN 0.608 nan 8.240 nan 0.000 0.449 456 T N 3.653 118.203 114.554 -0.007 0.000 3.760 456 T HA -0.171 4.179 4.350 -0.001 0.000 0.366 456 T C 0.148 174.842 174.700 -0.009 0.000 0.761 456 T CA 0.548 62.643 62.100 -0.007 0.000 1.887 456 T CB -1.211 67.653 68.868 -0.006 0.000 1.811 456 T HN 0.621 nan 8.240 nan 0.000 0.749 457 N N 1.619 120.313 118.700 -0.010 0.000 2.841 457 N HA 0.117 4.857 4.740 -0.001 0.000 0.257 457 N C 1.413 176.914 175.510 -0.015 0.000 1.396 457 N CA -0.503 52.540 53.050 -0.013 0.000 0.823 457 N CB 1.292 39.771 38.487 -0.014 0.000 1.162 457 N HN 0.530 nan 8.380 nan 0.000 0.503 458 Q N 0.283 120.074 119.800 -0.015 0.000 1.984 458 Q HA 0.031 4.371 4.340 -0.001 0.000 0.196 458 Q C 0.252 176.240 176.000 -0.020 0.000 0.975 458 Q CA 0.921 56.715 55.803 -0.015 0.000 0.827 458 Q CB -0.198 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 -0.842 114.844 115.700 -0.023 0.000 2.550 459 S HA 0.761 5.230 4.470 -0.001 0.000 0.270 459 S C -1.032 173.546 174.600 -0.037 0.000 1.145 459 S CA -1.039 57.142 58.200 -0.031 0.000 0.852 459 S CB 3.071 66.253 63.200 -0.029 0.000 1.119 459 S HN 0.449 nan 8.310 nan 0.000 0.465 460 R N 1.067 121.535 120.500 -0.054 0.000 2.579 460 R HA 0.394 4.734 4.340 -0.001 0.000 0.260 460 R C -1.965 174.266 176.300 -0.115 0.000 1.103 460 R CA -0.751 55.310 56.100 -0.066 0.000 0.942 460 R CB 1.055 31.323 30.300 -0.055 0.000 1.251 460 R HN 0.806 nan 8.270 nan 0.000 0.450 461 L N 5.685 126.826 121.223 -0.137 0.000 2.325 461 L HA 0.393 4.732 4.340 -0.001 0.000 0.284 461 L C -0.468 176.142 176.870 -0.433 0.000 1.089 461 L CA -0.225 54.445 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 4.126 125.013 121.223 -0.559 0.000 2.385 462 L HA 0.573 4.913 4.340 -0.001 0.000 0.273 462 L C -0.828 175.668 176.870 -0.623 0.000 0.990 462 L CA -0.421 54.145 54.840 -0.456 0.000 0.821 462 L CB 1.915 43.850 42.059 -0.207 0.000 1.279 462 L HN 0.336 nan 8.230 nan 0.000 0.412 463 F N 0.276 120.182 119.950 -0.073 0.000 2.522 463 F HA 0.582 5.109 4.527 -0.001 0.000 0.324 463 F C 0.381 176.124 175.800 -0.095 0.000 1.077 463 F CA -0.585 57.355 58.000 -0.101 0.000 0.944 463 F CB 2.196 41.164 39.000 -0.054 0.000 1.175 463 F HN 0.261 nan 8.300 nan 0.000 0.468 464 S N 0.669 116.275 115.700 -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 -0.318 0.000 1.083 464 S CA -0.868 57.194 58.200 -0.230 0.000 0.995 464 S CB 1.822 64.788 63.200 -0.391 0.000 1.058 464 S HN 0.638 nan 8.310 nan 0.000 0.488 465 Q N 2.119 121.753 119.800 -0.275 0.000 2.288 465 Q HA 0.543 4.883 4.340 -0.001 0.000 0.258 465 Q C -0.227 175.713 176.000 -0.100 0.000 0.957 465 Q CA -0.712 54.718 55.803 -0.622 0.000 0.919 465 Q CB 0.776 29.082 28.738 -0.719 0.000 1.185 465 Q HN 0.782 nan 8.270 nan 0.000 0.408 466 A N 3.398 126.256 122.820 0.063 0.000 2.565 466 A HA 0.460 4.779 4.320 -0.001 0.000 0.237 466 A C 0.330 177.914 177.584 0.002 0.000 1.053 466 A CA 0.775 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 1.090 109.900 108.800 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 -2.403 172.486 174.900 -0.018 0.000 1.364 467 G CA -1.026 44.070 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 1.513 178.805 177.300 -0.014 0.000 1.147 468 P CA 1.065 64.154 63.100 -0.018 0.000 0.790 468 P CB 0.308 32.001 31.700 -0.012 0.000 0.780 469 Q N -0.335 119.463 119.800 -0.003 0.000 2.096 469 Q HA -0.017 4.323 4.340 -0.001 0.000 0.197 469 Q C 1.083 177.084 176.000 0.002 0.000 0.964 469 Q CA 1.326 57.131 55.803 0.005 0.000 0.838 469 Q CB -0.472 28.276 28.738 0.016 0.000 0.906 469 Q HN 0.285 nan 8.270 nan 0.000 0.444 470 S N -0.020 115.683 115.700 0.005 0.000 3.983 470 S HA 0.217 4.687 4.470 -0.001 0.000 0.194 470 S C 0.839 175.387 174.600 -0.088 0.000 1.464 470 S CA -0.313 57.874 58.200 -0.023 0.000 1.021 470 S CB 0.146 63.365 63.200 0.032 0.000 1.424 470 S HN 0.221 nan 8.310 nan 0.000 0.473 471 M N 2.340 121.901 119.600 -0.065 0.000 2.156 471 M HA -0.060 4.419 4.480 -0.001 0.000 0.264 471 M C 1.820 178.065 176.300 -0.093 0.000 1.067 471 M CA 1.567 56.825 55.300 -0.071 0.000 1.131 471 M CB -0.062 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 -0.734 114.911 115.700 -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 -0.145 0.000 0.951 472 S CA -0.296 57.845 58.200 -0.099 0.000 0.973 472 S CB -0.386 62.771 63.200 -0.071 0.000 0.778 472 S HN 0.567 nan 8.310 nan 0.000 0.477 473 L N -0.491 120.596 121.223 -0.226 0.000 2.993 473 L HA 0.310 4.650 4.340 -0.001 0.000 0.264 473 L C 0.656 177.225 176.870 -0.502 0.000 1.154 473 L CA -0.234 54.370 54.840 -0.392 0.000 0.972 473 L CB 0.172 41.900 42.059 -0.551 0.000 1.373 473 L HN 0.254 nan 8.230 nan 0.000 0.564 474 Q N 1.194 120.793 119.800 -0.335 0.000 2.432 474 Q HA 0.336 4.676 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 -0.099 55.547 55.803 -0.262 0.000 0.908 474 Q CB 0.971 29.608 28.738 -0.169 0.000 1.280 474 Q HN 0.273 nan 8.270 nan 0.000 0.455 475 A N 1.921 124.650 122.820 -0.151 0.000 2.520 475 A HA 0.195 4.515 4.320 -0.001 0.000 0.235 475 A C -0.040 177.474 177.584 -0.116 0.000 1.065 475 A CA 0.260 52.228 52.037 -0.114 0.000 0.764 475 A CB 0.305 19.246 19.000 -0.098 0.000 1.002 475 A HN 0.577 nan 8.150 nan 0.000 0.502 476 R N 0.335 120.769 120.500 -0.111 0.000 2.807 476 R HA 0.449 4.789 4.340 -0.001 0.000 0.276 476 R C 0.228 176.410 176.300 -0.197 0.000 0.979 476 R CA -0.618 55.414 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 0.235 118.748 118.700 -0.312 0.000 2.250 477 N HA 0.163 4.903 4.740 -0.001 0.000 0.190 477 N C -1.022 173.879 175.510 -1.016 0.000 1.116 477 N CA 0.339 52.936 53.050 -0.756 0.000 0.881 477 N CB 0.456 38.333 38.487 -1.016 0.000 1.006 477 N HN 0.369 nan 8.380 nan 0.000 0.491 478 W N 0.080 121.380 121.300 -0.002 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 -0.767 56.586 57.345 0.012 0.000 1.170 478 W CB 0.810 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 2.021 123.427 121.223 0.304 0.000 2.303 479 L HA 0.652 4.992 4.340 -0.001 0.000 0.266 479 L C -2.142 174.853 176.870 0.208 0.000 1.011 479 L CA -2.724 52.238 54.840 0.204 0.000 0.818 479 L CB 0.533 42.712 42.059 0.200 0.000 1.326 479 L HN 0.068 nan 8.230 nan 0.000 0.435 480 P HA 0.244 nan 4.420 nan 0.000 0.274 480 P C -0.116 177.342 177.300 0.264 0.000 1.256 480 P CA -0.373 62.828 63.100 0.168 0.000 0.795 480 P CB 0.443 32.193 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 0.109 0.000 1.212 481 G CA -0.932 44.315 45.100 0.246 0.000 0.874 481 G HN 0.363 nan 8.290 nan 0.000 0.561 482 P HA 0.208 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 -0.028 62.945 63.100 -0.212 0.000 0.802 482 P CB 0.599 32.062 31.700 -0.394 0.000 1.040 483 C N -1.866 117.341 119.300 -0.154 0.000 3.285 483 C HA 0.706 5.165 4.460 -0.001 0.000 0.325 483 C C -1.719 173.295 174.990 0.041 0.000 1.304 483 C CA -0.722 58.277 59.018 -0.033 0.000 1.319 483 C CB 0.695 28.457 27.740 0.037 0.000 1.640 483 C HN 0.604 nan 8.230 nan 0.000 0.477 484 Y N 1.720 121.978 120.300 -0.070 0.000 2.379 484 Y HA 0.491 5.041 4.550 -0.001 0.000 0.342 484 Y C 0.339 176.225 175.900 -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 3.696 124.079 120.500 -0.195 0.000 2.500 485 R HA 0.016 4.356 4.340 -0.001 0.000 0.281 485 R C -0.476 175.746 176.300 -0.129 0.000 0.953 485 R CA 0.812 56.829 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 0.609 nan 8.270 nan 0.000 0.410 486 Q N 2.316 122.074 119.800 -0.070 0.000 2.297 486 Q HA 0.141 4.480 4.340 -0.001 0.000 0.268 486 Q C -0.829 175.109 176.000 -0.103 0.000 1.045 486 Q CA -0.940 54.810 55.803 -0.088 0.000 0.861 486 Q CB 1.833 30.515 28.738 -0.092 0.000 1.344 486 Q HN 0.515 nan 8.270 nan 0.000 0.452 487 Q N 1.230 120.963 119.800 -0.111 0.000 2.327 487 Q HA 0.139 4.478 4.340 -0.001 0.000 0.254 487 Q C -0.759 175.179 176.000 -0.103 0.000 0.952 487 Q CA 0.150 55.903 55.803 -0.083 0.000 0.884 487 Q CB 0.751 29.486 28.738 -0.005 0.000 1.224 487 Q HN 0.386 nan 8.270 nan 0.000 0.422 488 R N 3.131 123.572 120.500 -0.098 0.000 2.308 488 R HA 0.419 4.758 4.340 -0.001 0.000 0.305 488 R C -1.216 175.044 176.300 -0.066 0.000 1.053 488 R CA -0.383 55.655 56.100 -0.104 0.000 0.957 488 R CB 0.294 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 2.084 123.187 121.223 -0.200 0.000 2.354 489 L HA 0.428 4.768 4.340 -0.001 0.000 0.269 489 L C -0.236 176.599 176.870 -0.058 0.000 1.005 489 L CA -0.171 54.534 54.840 -0.225 0.000 0.819 489 L CB 2.040 43.693 42.059 -0.677 0.000 1.311 489 L HN 0.586 nan 8.230 nan 0.000 0.423 490 S N 0.235 115.998 115.700 0.104 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 0.138 0.000 1.115 490 S CA -0.578 57.638 58.200 0.026 0.000 1.059 490 S CB 1.039 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 1.321 121.776 120.400 0.092 0.000 2.288 491 K HA 0.027 4.346 4.320 -0.001 0.000 0.201 491 K C 0.224 176.834 176.600 0.017 0.000 1.048 491 K CA 0.691 57.033 56.287 0.091 0.000 0.956 491 K CB -0.224 32.275 32.500 -0.002 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 -0.031 0.000 2.738 492 T HA 0.179 4.529 4.350 -0.001 0.000 0.293 492 T C 0.597 175.307 174.700 0.018 0.000 0.913 492 T CA -0.288 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 3.891 126.726 122.820 0.025 0.000 2.223 493 A HA 0.046 4.365 4.320 -0.001 0.000 0.222 493 A C 1.613 179.223 177.584 0.043 0.000 1.317 493 A CA 0.100 52.162 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 -2.655 116.071 118.700 0.043 0.000 2.067 494 N HA -0.029 4.711 4.740 -0.001 0.000 0.227 494 N C -0.331 175.213 175.510 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 1.025 121.466 120.400 0.068 0.000 2.277 495 D HA 0.068 4.708 4.640 -0.001 0.000 0.208 495 D C 0.181 176.550 176.300 0.115 0.000 0.962 495 D CA 0.673 54.732 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 -0.276 52.865 53.050 0.151 0.000 0.963 496 N CB 0.395 39.011 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 2.492 497 N HA -0.088 4.651 4.740 -0.001 0.000 0.262 497 N C -0.257 175.341 175.510 0.148 0.000 1.202 497 N CA 0.236 53.325 53.050 0.066 0.000 0.926 497 N CB 0.087 38.526 38.487 -0.079 0.000 1.078 497 N HN 0.450 nan 8.380 nan 0.000 0.454 498 N N 1.873 120.629 118.700 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 -0.164 52.942 53.050 0.094 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 0.312 116.125 115.700 0.188 0.000 2.537 499 S HA 0.196 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 64.732 63.200 0.174 0.000 1.112 499 S HN 0.245 nan 8.310 nan 0.000 0.466 500 N N 1.337 120.150 118.700 0.187 0.000 2.439 500 N HA 0.431 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 52.259 53.050 0.091 0.000 0.940 500 N CB -0.315 38.199 38.487 0.044 0.000 1.180 500 N HN 0.677 nan 8.380 nan 0.000 0.505 501 F N 1.792 121.782 119.950 0.065 0.000 2.805 501 F HA 0.550 5.076 4.527 -0.001 0.000 0.317 501 F C -2.021 173.838 175.800 0.099 0.000 1.146 501 F CA -1.598 56.444 58.000 0.070 0.000 1.265 501 F CB 0.669 39.688 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 0.617 178.063 177.300 0.244 0.000 1.241 502 P CA 1.006 64.110 63.100 0.007 0.000 0.781 502 P CB -0.093 31.585 31.700 -0.035 0.000 1.088 503 W N -0.520 120.805 121.300 0.042 0.000 3.900 503 W HA 0.027 4.687 4.660 -0.001 0.000 0.186 503 W C 0.505 177.063 176.519 0.066 0.000 1.082 503 W CA 0.664 58.034 57.345 0.042 0.000 1.537 503 W CB 0.016 29.481 29.460 0.008 0.000 0.639 503 W HN -0.108 nan 8.180 nan 0.000 0.912 504 T N -0.680 113.938 114.554 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 63.057 62.100 0.003 0.000 1.058 504 T CB 0.364 69.304 68.868 0.120 0.000 0.953 504 T HN 0.085 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 0.148 19.237 19.000 0.149 0.000 1.207 505 A HN 0.613 nan 8.150 nan 0.000 0.577 506 A N 0.295 123.159 122.820 0.074 0.000 2.302 506 A HA 0.630 4.949 4.320 -0.001 0.000 0.285 506 A C 0.364 177.980 177.584 0.053 0.000 1.105 506 A CA -0.182 51.929 52.037 0.124 0.000 0.816 506 A CB 0.251 19.416 19.000 0.275 0.000 1.067 506 A HN 0.298 nan 8.150 nan 0.000 0.489 507 S N 1.390 117.168 115.700 0.130 0.000 2.510 507 S HA 0.381 4.850 4.470 -0.001 0.000 0.279 507 S C -0.009 174.716 174.600 0.208 0.000 1.284 507 S CA -0.161 58.133 58.200 0.156 0.000 1.059 507 S CB -0.001 63.321 63.200 0.203 0.000 0.901 507 S HN 0.635 nan 8.310 nan 0.000 0.491 508 K N 1.666 122.148 120.400 0.135 0.000 2.509 508 K HA 0.598 4.918 4.320 -0.001 0.000 0.266 508 K C -1.353 175.324 176.600 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 -0.243 0.000 1.421 508 K HN 0.563 nan 8.250 nan 0.000 0.444 509 Y N -1.515 118.817 120.300 0.053 0.000 2.630 509 Y HA 0.620 5.169 4.550 -0.001 0.000 0.337 509 Y C -0.689 175.285 175.900 0.125 0.000 1.051 509 Y CA -1.021 57.117 58.100 0.065 0.000 1.121 509 Y CB 1.534 39.983 38.460 -0.019 0.000 1.299 509 Y HN 0.750 nan 8.280 nan 0.000 0.498 510 H N 1.753 120.963 119.070 0.234 0.000 2.865 510 H HA 0.628 5.183 4.556 -0.001 0.000 0.362 510 H C -2.393 173.065 175.328 0.216 0.000 1.114 510 H CA -1.182 54.948 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 3.501 124.768 121.223 0.072 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 1.546 43.672 42.059 0.112 0.000 1.279 511 L HN 0.839 nan 8.230 nan 0.000 0.412 512 N N 2.376 121.110 118.700 0.056 0.000 2.741 512 N HA -0.185 4.554 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 54.442 53.050 0.101 0.000 0.724 512 N CB -0.614 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 -0.360 108.626 108.800 0.310 0.000 2.160 513 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.244 513 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.244 513 G C -0.145 174.901 174.900 0.244 0.000 1.022 513 G CA 0.524 45.816 45.100 0.319 0.000 0.741 513 G HN 0.722 nan 8.290 nan 0.000 0.508 514 R N 0.496 121.167 120.500 0.285 0.000 2.451 514 R HA 0.370 4.710 4.340 -0.001 0.000 0.307 514 R C -1.136 175.278 176.300 0.190 0.000 0.965 514 R CA -0.841 55.380 56.100 0.201 0.000 0.865 514 R CB 0.762 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 1.526 117.062 115.700 -0.272 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 -0.467 0.000 1.128 516 S CA -0.760 57.202 58.200 -0.397 0.000 0.970 516 S CB 1.799 64.572 63.200 -0.711 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 -0.134 0.000 2.418 517 L HA 0.337 4.676 4.340 -0.001 0.000 0.274 517 L C -0.357 176.473 176.870 -0.066 0.000 1.135 517 L CA 0.112 54.892 54.840 -0.099 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 6.896 126.843 119.914 0.054 0.000 2.242 518 V HA 0.024 4.144 4.120 -0.001 0.000 0.242 518 V C 1.239 177.422 176.094 0.147 0.000 1.240 518 V CA 0.025 62.442 62.300 0.194 0.000 1.211 518 V CB -0.693 31.286 31.823 0.259 0.000 1.338 518 V HN 0.918 nan 8.190 nan 0.000 0.499 519 N N 6.357 125.076 118.700 0.032 0.000 2.054 519 N HA 0.010 4.750 4.740 -0.001 0.000 0.193 519 N C -1.814 173.836 175.510 0.233 0.000 1.066 519 N CA 0.798 53.861 53.050 0.022 0.000 0.853 519 N CB -0.425 38.033 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 -0.243 177.136 177.300 0.131 0.000 1.718 520 P CA -0.377 62.810 63.100 0.147 0.000 1.119 520 P CB 0.810 32.575 31.700 0.108 0.000 1.762 521 G N 4.637 113.529 108.800 0.152 0.000 2.479 521 G HA2 0.235 4.195 3.960 -0.001 0.000 0.275 521 G HA3 0.235 4.195 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 -1.201 43.959 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 0.274 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 3.546 126.394 122.820 0.046 0.000 2.473 523 A HA 0.358 4.678 4.320 -0.001 0.000 0.282 523 A C 0.123 177.761 177.584 0.089 0.000 1.163 523 A CA 0.363 52.458 52.037 0.097 0.000 0.827 523 A CB -0.972 18.114 19.000 0.143 0.000 1.098 523 A HN 0.421 nan 8.150 nan 0.000 0.515 524 M N 2.063 121.721 119.600 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 0.893 123.756 122.820 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 51.810 52.037 0.051 0.000 0.781 525 A CB 0.261 19.263 19.000 0.004 0.000 1.019 525 A HN 0.924 nan 8.150 nan 0.000 0.490 526 S N 0.650 116.416 115.700 0.109 0.000 2.371 526 S HA -0.008 4.462 4.470 -0.001 0.000 0.224 526 S C 0.749 175.512 174.600 0.273 0.000 1.029 526 S CA 1.507 59.838 58.200 0.219 0.000 0.978 526 S CB -0.280 63.120 63.200 0.334 0.000 0.833 526 S HN 0.956 nan 8.310 nan 0.000 0.466 527 H N 0.279 119.418 119.070 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 0.949 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 0.987 121.449 120.400 0.103 0.000 2.117 528 K HA 0.200 4.520 4.320 -0.001 0.000 0.240 528 K C -0.621 176.034 176.600 0.091 0.000 1.031 528 K CA -0.693 55.613 56.287 0.032 0.000 0.909 528 K CB 0.611 33.132 32.500 0.035 0.000 1.097 528 K HN 0.342 nan 8.250 nan 0.000 0.492 529 D N 1.079 121.512 120.400 0.054 0.000 2.443 529 D HA 0.008 4.647 4.640 -0.001 0.000 0.239 529 D C -0.409 175.963 176.300 0.120 0.000 1.136 529 D CA 0.905 54.953 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 0.585 176.971 176.300 0.142 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 0.440 177.063 176.600 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 0.049 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 0.262 176.674 176.600 -0.313 0.000 1.107 532 E CA 1.452 57.527 56.400 -0.541 0.000 0.754 532 E CB -1.136 28.456 29.700 -0.180 0.000 1.335 532 E HN 0.391 nan 8.360 nan 0.000 0.411 533 K N -1.821 118.436 120.400 -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 -0.159 55.970 56.287 -0.263 0.000 1.006 533 K CB 0.207 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 3.566 123.542 119.950 0.043 0.000 2.390 534 F HA 0.361 4.887 4.527 -0.001 0.000 0.361 534 F C -0.049 175.833 175.800 0.138 0.000 1.124 534 F CA -1.311 56.732 58.000 0.072 0.000 1.149 534 F CB 0.588 39.606 39.000 0.031 0.000 1.160 534 F HN 0.014 nan 8.300 nan 0.000 0.501 535 F N 3.158 123.202 119.950 0.158 0.000 2.470 535 F HA 0.826 5.353 4.527 -0.001 0.000 0.329 535 F C -3.006 172.863 175.800 0.115 0.000 1.072 535 F CA -3.623 54.452 58.000 0.123 0.000 0.989 535 F CB 0.496 39.535 39.000 0.064 0.000 1.193 535 F HN 0.110 nan 8.300 nan 0.000 0.481 536 P HA 0.108 nan 4.420 nan 0.000 0.271 536 P C -0.452 176.722 177.300 -0.209 0.000 1.218 536 P CA -0.425 62.615 63.100 -0.099 0.000 0.780 536 P CB 0.736 32.443 31.700 0.011 0.000 0.901 537 M N 4.988 124.408 119.600 -0.300 0.000 2.734 537 M HA -0.050 4.430 4.480 -0.001 0.000 0.356 537 M C 0.924 176.891 176.300 -0.555 0.000 1.790 537 M CA 0.720 55.829 55.300 -0.317 0.000 1.231 537 M CB -1.302 31.128 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 0.471 56.613 56.048 0.156 0.000 1.142 538 H CB -2.194 27.634 29.762 0.108 0.000 1.410 538 H HN 0.916 nan 8.280 nan 0.000 0.409 539 G N 0.917 109.782 108.800 0.109 0.000 3.262 539 G HA2 0.107 4.066 3.960 -0.001 0.000 0.228 539 G HA3 0.107 4.066 3.960 -0.001 0.000 0.228 539 G C 0.357 175.354 174.900 0.161 0.000 1.197 539 G CA 0.325 45.498 45.100 0.121 0.000 0.819 539 G HN 0.917 nan 8.290 nan 0.000 0.531 540 N N -1.200 117.598 118.700 0.164 0.000 3.322 540 N HA 0.112 4.852 4.740 -0.001 0.000 0.233 540 N C -1.731 173.795 175.510 0.027 0.000 1.399 540 N CA -0.843 52.276 53.050 0.115 0.000 0.894 540 N CB 0.827 39.388 38.487 0.123 0.000 1.440 540 N HN -0.188 nan 8.380 nan 0.000 0.503 541 L N 0.798 121.984 121.223 -0.061 0.000 2.367 541 L HA 0.443 4.783 4.340 -0.001 0.000 0.275 541 L C 0.059 176.663 176.870 -0.444 0.000 1.129 541 L CA 0.128 54.807 54.840 -0.267 0.000 0.839 541 L CB 0.149 42.005 42.059 -0.339 0.000 1.133 541 L HN 0.473 nan 8.230 nan 0.000 0.453 542 I N 3.738 124.040 120.570 -0.447 0.000 2.389 542 I HA 0.343 4.513 4.170 -0.001 0.000 0.288 542 I C -0.664 175.187 176.117 -0.444 0.000 0.999 542 I CA -0.407 60.672 61.300 -0.368 0.000 1.129 542 I CB 1.011 38.900 38.000 -0.187 0.000 1.288 542 I HN 0.308 nan 8.210 nan 0.000 0.444 543 F N 3.087 122.992 119.950 -0.074 0.000 2.422 543 F HA 0.580 5.106 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 1.653 40.624 39.000 -0.049 0.000 1.156 543 F HN 0.420 nan 8.300 nan 0.000 0.483 544 G N 2.738 111.627 108.800 0.148 0.000 2.353 544 G HA2 0.338 4.298 3.960 -0.001 0.000 0.284 544 G HA3 0.338 4.298 3.960 -0.001 0.000 0.284 544 G C -0.566 174.359 174.900 0.043 0.000 1.172 544 G CA -0.744 44.392 45.100 0.060 0.000 0.854 544 G HN 0.545 nan 8.290 nan 0.000 0.485 545 K N 0.787 121.187 120.400 0.001 0.000 2.286 545 K HA 0.064 4.383 4.320 -0.001 0.000 0.256 545 K C 0.313 176.892 176.600 -0.034 0.000 0.999 545 K CA -0.179 56.088 56.287 -0.035 0.000 0.908 545 K CB 0.652 33.120 32.500 -0.054 0.000 0.981 545 K HN 0.517 nan 8.250 nan 0.000 0.500 546 E N 0.343 120.507 120.200 -0.061 0.000 2.415 546 E HA 0.082 4.432 4.350 -0.001 0.000 0.263 546 E C -0.187 176.391 176.600 -0.038 0.000 0.995 546 E CA 1.086 57.457 56.400 -0.048 0.000 0.915 546 E CB 0.309 29.964 29.700 -0.075 0.000 0.951 546 E HN 0.636 nan 8.360 nan 0.000 0.449 547 G N 3.567 112.356 108.800 -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 -0.451 174.438 174.900 -0.019 0.000 0.993 547 G CA 0.254 45.343 45.100 -0.017 0.000 1.327 547 G HN 0.612 nan 8.290 nan 0.000 0.485 548 T N 1.203 115.750 114.554 -0.012 0.000 3.705 548 T HA 0.433 4.783 4.350 -0.001 0.000 0.342 548 T C 0.377 175.071 174.700 -0.009 0.000 1.043 548 T CA -0.104 61.988 62.100 -0.014 0.000 1.071 548 T CB 1.198 70.056 68.868 -0.016 0.000 1.124 548 T HN 0.636 nan 8.240 nan 0.000 0.467 549 T N 2.383 116.931 114.554 -0.011 0.000 2.906 549 T HA 0.211 4.560 4.350 -0.001 0.000 0.329 549 T C 1.632 176.325 174.700 -0.011 0.000 1.091 549 T CA 0.326 62.420 62.100 -0.010 0.000 1.127 549 T CB 0.457 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 1.957 124.771 122.820 -0.011 0.000 2.206 550 A HA 0.232 4.552 4.320 -0.001 0.000 0.211 550 A C 1.395 178.966 177.584 -0.022 0.000 1.158 550 A CA 0.234 52.263 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 -0.444 174.141 174.600 -0.025 0.000 1.071 551 S CA -0.672 57.513 58.200 -0.026 0.000 1.113 551 S CB -0.435 62.749 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 -0.538 37.935 38.487 -0.024 0.000 0.923 552 N HN 0.657 nan 8.380 nan 0.000 0.552 553 A N 0.794 123.601 122.820 -0.022 0.000 2.252 553 A HA 0.579 4.899 4.320 -0.001 0.000 0.305 553 A C 0.465 178.034 177.584 -0.024 0.000 1.097 553 A CA -0.392 51.631 52.037 -0.022 0.000 0.849 553 A CB 0.771 19.757 19.000 -0.023 0.000 1.142 553 A HN 0.464 nan 8.150 nan 0.000 0.499 554 E N -0.716 119.469 120.200 -0.025 0.000 2.374 554 E HA 0.244 4.594 4.350 -0.001 0.000 0.260 554 E C 0.842 177.421 176.600 -0.034 0.000 1.101 554 E CA -0.267 56.117 56.400 -0.026 0.000 0.907 554 E CB 0.699 30.383 29.700 -0.025 0.000 1.014 554 E HN 0.513 nan 8.360 nan 0.000 0.427 555 L N 2.073 123.275 121.223 -0.034 0.000 2.191 555 L HA -0.066 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 -0.094 41.941 42.059 -0.040 0.000 0.908 555 L HN 0.521 nan 8.230 nan 0.000 0.438 556 D N -0.703 119.668 120.400 -0.048 0.000 2.328 556 D HA -0.003 4.637 4.640 -0.001 0.000 0.226 556 D C 0.814 177.084 176.300 -0.048 0.000 1.066 556 D CA 0.273 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 0.043 118.715 118.700 -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 1.671 40.138 38.487 -0.035 0.000 1.014 557 N HN 0.072 nan 8.380 nan 0.000 0.512 558 V N -2.179 117.705 119.914 -0.051 0.000 3.074 558 V HA 0.660 4.780 4.120 -0.001 0.000 0.314 558 V C -0.410 175.649 176.094 -0.057 0.000 1.117 558 V CA -0.985 61.285 62.300 -0.049 0.000 1.014 558 V CB 2.511 34.295 31.823 -0.066 0.000 1.057 558 V HN -0.181 nan 8.190 nan 0.000 0.438 559 M N 3.279 122.861 119.600 -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 55.145 55.300 -0.017 0.000 0.927 559 M CB 1.529 34.159 32.600 0.051 0.000 1.466 559 M HN 0.560 nan 8.290 nan 0.000 0.412 560 I N 2.606 123.103 120.570 -0.122 0.000 2.365 560 I HA 0.325 4.494 4.170 -0.001 0.000 0.291 560 I C 0.631 176.690 176.117 -0.097 0.000 1.004 560 I CA -0.661 60.535 61.300 -0.174 0.000 1.311 560 I CB 1.453 39.247 38.000 -0.345 0.000 1.401 560 I HN 0.596 nan 8.210 nan 0.000 0.491 561 T N 0.521 115.018 114.554 -0.094 0.000 2.806 561 T HA 0.279 4.629 4.350 -0.001 0.000 0.290 561 T C -0.489 174.254 174.700 0.071 0.000 0.966 561 T CA -0.838 61.223 62.100 -0.064 0.000 1.060 561 T CB 1.612 70.314 68.868 -0.276 0.000 0.927 561 T HN 0.409 nan 8.240 nan 0.000 0.485 562 D N 1.939 122.428 120.400 0.149 0.000 2.329 562 D HA 0.183 4.823 4.640 -0.001 0.000 0.232 562 D C -0.122 176.326 176.300 0.246 0.000 1.088 562 D CA -0.510 53.620 54.000 0.216 0.000 0.835 562 D CB 0.915 41.851 40.800 0.227 0.000 1.078 562 D HN 0.447 nan 8.370 nan 0.000 0.495 563 E N 3.333 123.669 120.200 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 0.182 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 0.128 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 29.961 29.700 -0.070 0.000 1.060 564 E HN -0.036 nan 8.360 nan 0.000 0.460 565 E N 0.738 120.935 120.200 -0.004 0.000 2.431 565 E HA 0.136 4.485 4.350 -0.001 0.000 0.200 565 E C 1.479 178.070 176.600 -0.016 0.000 0.995 565 E CA 0.236 56.619 56.400 -0.029 0.000 0.915 565 E CB 0.312 29.976 29.700 -0.060 0.000 0.930 565 E HN 0.555 nan 8.360 nan 0.000 0.496 566 I N -1.983 118.590 120.570 0.006 0.000 3.858 566 I HA 0.290 4.460 4.170 -0.001 0.000 0.325 566 I C 1.031 177.171 176.117 0.039 0.000 1.403 566 I CA -0.184 61.138 61.300 0.036 0.000 1.169 566 I CB 0.184 38.214 38.000 0.050 0.000 1.077 566 I HN -0.134 nan 8.210 nan 0.000 0.403 567 R N 1.415 121.922 120.500 0.012 0.000 2.152 567 R HA -0.088 4.251 4.340 -0.001 0.000 0.232 567 R C 2.187 178.492 176.300 0.009 0.000 1.117 567 R CA 1.989 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 0.648 nan 8.270 nan 0.000 0.451 568 T N -3.207 111.361 114.554 0.024 0.000 3.067 568 T HA -0.010 4.340 4.350 -0.001 0.000 0.257 568 T C 1.711 176.401 174.700 -0.016 0.000 1.105 568 T CA 1.140 63.244 62.100 0.006 0.000 1.104 568 T CB 0.214 69.092 68.868 0.017 0.000 0.925 568 T HN 0.304 nan 8.240 nan 0.000 0.498 569 T N -1.900 112.662 114.554 0.014 0.000 2.955 569 T HA 0.317 4.666 4.350 -0.001 0.000 0.251 569 T C 0.360 175.113 174.700 0.089 0.000 1.002 569 T CA -0.539 61.573 62.100 0.019 0.000 0.970 569 T CB -0.270 68.600 68.868 0.003 0.000 1.091 569 T HN 0.384 nan 8.240 nan 0.000 0.495 570 N N 2.198 120.949 118.700 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 2.017 40.571 38.487 0.112 0.000 1.288 570 N HN 0.058 nan 8.380 nan 0.000 0.493 571 P HA 0.055 nan 4.420 nan 0.000 0.272 571 P C -0.674 176.664 177.300 0.063 0.000 1.223 571 P CA -0.378 62.769 63.100 0.077 0.000 0.784 571 P CB 0.617 32.422 31.700 0.174 0.000 0.923 572 V N 1.975 121.911 119.914 0.037 0.000 2.572 572 V HA 0.114 4.233 4.120 -0.001 0.000 0.291 572 V C 1.719 177.839 176.094 0.042 0.000 1.039 572 V CA 0.534 62.853 62.300 0.033 0.000 1.055 572 V CB -0.039 31.793 31.823 0.014 0.000 0.969 572 V HN 0.721 nan 8.190 nan 0.000 0.482 573 A N 4.256 127.106 122.820 0.051 0.000 1.908 573 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 573 A C 2.255 179.844 177.584 0.009 0.000 1.181 573 A CA 2.400 54.464 52.037 0.045 0.000 0.627 573 A CB -0.693 18.343 19.000 0.060 0.000 0.818 573 A HN 1.016 nan 8.150 nan 0.000 0.445 574 T N -2.695 111.858 114.554 -0.002 0.000 3.009 574 T HA 0.072 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 62.468 62.100 -0.041 0.000 1.139 574 T CB -0.205 68.631 68.868 -0.053 0.000 0.890 574 T HN 0.392 nan 8.240 nan 0.000 0.471 575 E N 2.376 122.557 120.200 -0.032 0.000 2.397 575 E HA 0.173 4.523 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 -0.348 119.443 119.800 -0.016 0.000 2.492 576 Q HA 0.015 4.355 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 -0.034 55.777 55.803 0.015 0.000 1.196 576 Q CB 0.116 28.854 28.738 -0.000 0.000 1.240 576 Q HN 0.610 nan 8.270 nan 0.000 0.651 577 Y N -1.539 118.738 120.300 -0.038 0.000 2.609 577 Y HA 0.429 4.979 4.550 -0.001 0.000 0.281 577 Y C 0.537 176.424 175.900 -0.020 0.000 1.132 577 Y CA 1.081 59.165 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 4.266 3.960 -0.001 0.000 0.256 578 G HA3 0.307 4.266 3.960 -0.001 0.000 0.256 578 G C -1.431 173.477 174.900 0.015 0.000 1.236 578 G CA -0.379 44.686 45.100 -0.057 0.000 0.914 578 G HN -0.065 nan 8.290 nan 0.000 0.482 579 T N 0.090 114.646 114.554 0.004 0.000 2.829 579 T HA 0.678 5.027 4.350 -0.001 0.000 0.280 579 T C -0.661 174.056 174.700 0.029 0.000 0.999 579 T CA -0.319 61.788 62.100 0.012 0.000 0.983 579 T CB 1.716 70.581 68.868 -0.005 0.000 0.968 579 T HN 0.830 nan 8.240 nan 0.000 0.446 580 V N 1.677 121.607 119.914 0.028 0.000 2.789 580 V HA 0.804 4.924 4.120 -0.001 0.000 0.311 580 V C 0.111 176.215 176.094 0.017 0.000 1.073 580 V CA -1.305 61.012 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 3.052 125.882 122.820 0.017 0.000 2.322 581 A HA 0.705 5.025 4.320 -0.001 0.000 0.269 581 A C 0.412 178.002 177.584 0.010 0.000 1.094 581 A CA -0.303 51.741 52.037 0.012 0.000 0.807 581 A CB 0.174 19.182 19.000 0.014 0.000 1.047 581 A HN 1.094 nan 8.150 nan 0.000 0.487 582 N N 1.189 119.893 118.700 0.006 0.000 2.604 582 N HA 0.125 4.865 4.740 -0.001 0.000 0.284 582 N C -1.237 174.274 175.510 0.003 0.000 1.716 582 N CA -0.403 52.649 53.050 0.004 0.000 0.859 582 N CB 0.109 38.597 38.487 0.002 0.000 1.403 582 N HN 0.743 nan 8.380 nan 0.000 0.501 583 N N -0.250 118.453 118.700 0.004 0.000 3.322 583 N HA 0.147 4.886 4.740 -0.001 0.000 0.233 583 N C -1.739 173.774 175.510 0.005 0.000 1.399 583 N CA -0.580 52.472 53.050 0.004 0.000 0.894 583 N CB 0.602 39.090 38.487 0.002 0.000 1.440 583 N HN 0.048 nan 8.380 nan 0.000 0.503 584 L N 1.554 122.779 121.223 0.005 0.000 2.352 584 L HA 0.247 4.587 4.340 -0.001 0.000 0.272 584 L C 0.403 177.275 176.870 0.005 0.000 1.109 584 L CA -0.846 53.998 54.840 0.006 0.000 0.952 584 L CB 0.225 42.288 42.059 0.006 0.000 1.314 584 L HN 0.622 nan 8.230 nan 0.000 0.427 585 Q N 2.559 122.362 119.800 0.005 0.000 2.386 585 Q HA 0.417 4.757 4.340 -0.001 0.000 0.282 585 Q C -0.000 176.001 176.000 0.003 0.000 1.050 585 Q CA -0.043 55.761 55.803 0.003 0.000 0.918 585 Q CB 1.177 29.916 28.738 0.003 0.000 1.266 585 Q HN 0.586 nan 8.270 nan 0.000 0.423 586 S N 0.132 115.832 115.700 0.000 0.000 2.694 586 S HA 0.340 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 0.070 63.271 63.200 0.001 0.000 1.198 586 S HN 0.958 nan 8.310 nan 0.000 0.499 587 S N 1.172 116.871 115.700 -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 -0.869 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 1.216 119.914 118.700 -0.002 0.000 2.395 588 N HA 0.092 4.832 4.740 -0.001 0.000 0.175 588 N C -0.116 175.393 175.510 -0.003 0.000 1.029 588 N CA 0.756 53.805 53.050 -0.002 0.000 0.897 588 N CB 0.043 38.529 38.487 -0.002 0.000 0.991 588 N HN 0.385 nan 8.380 nan 0.000 0.441 589 T N 0.392 114.945 114.554 -0.002 0.000 2.841 589 T HA 0.619 4.969 4.350 -0.001 0.000 0.283 589 T C -0.466 174.233 174.700 -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 4.738 127.556 122.820 -0.003 0.000 2.331 590 A HA 0.672 4.992 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 -1.662 50.372 52.037 -0.004 0.000 0.812 590 A CB -0.183 18.814 19.000 -0.005 0.000 1.074 590 A HN 0.558 nan 8.150 nan 0.000 0.497 591 P HA 0.109 nan 4.420 nan 0.000 0.264 591 P C -0.390 176.909 177.300 -0.002 0.000 1.193 591 P CA 0.497 63.596 63.100 -0.001 0.000 0.763 591 P CB 0.417 32.117 31.700 -0.000 0.000 0.810 592 T N 2.250 116.804 114.554 -0.001 0.000 2.855 592 T HA 0.420 4.769 4.350 -0.001 0.000 0.281 592 T C 0.029 174.729 174.700 -0.001 0.000 1.007 592 T CA -0.280 61.819 62.100 -0.002 0.000 1.009 592 T CB 1.187 70.054 68.868 -0.003 0.000 0.983 592 T HN 0.232 nan 8.240 nan 0.000 0.455 593 T N 3.109 117.662 114.554 -0.003 0.000 2.856 593 T HA 0.558 4.907 4.350 -0.001 0.000 0.283 593 T C -0.480 174.217 174.700 -0.004 0.000 1.008 593 T CA -0.767 61.332 62.100 -0.002 0.000 0.997 593 T CB 1.091 69.956 68.868 -0.004 0.000 0.992 593 T HN 0.266 nan 8.240 nan 0.000 0.454 594 R N 2.133 122.633 120.500 -0.000 0.000 2.480 594 R HA 0.363 4.703 4.340 -0.001 0.000 0.306 594 R C -0.930 175.371 176.300 0.003 0.000 0.958 594 R CA -0.472 55.627 56.100 -0.002 0.000 0.861 594 R CB 1.380 31.679 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 0.045 174.748 174.700 0.006 0.000 0.913 595 T CA -0.055 62.044 62.100 -0.001 0.000 1.103 595 T CB 0.538 69.397 68.868 -0.016 0.000 0.880 595 T HN 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.473 125.410 119.914 0.038 0.000 2.455 596 V HA 0.221 4.341 4.120 -0.001 0.000 0.273 596 V C 0.570 176.683 176.094 0.032 0.000 1.045 596 V CA -0.159 62.167 62.300 0.043 0.000 0.976 596 V CB 0.441 32.327 31.823 0.106 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 -0.427 175.003 175.510 -0.134 0.000 1.107 597 N CA 0.185 53.190 53.050 -0.076 0.000 0.884 597 N CB 0.600 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 0.195 4.834 4.640 -0.001 0.000 0.241 598 D C -1.508 174.677 176.300 -0.191 0.000 1.277 598 D CA -0.363 53.548 54.000 -0.148 0.000 0.918 598 D CB 1.421 42.156 40.800 -0.108 0.000 1.462 598 D HN -0.256 nan 8.370 nan 0.000 0.559 599 Q N 2.738 122.363 119.800 -0.292 0.000 2.309 599 Q HA 0.653 4.992 4.340 -0.001 0.000 0.270 599 Q C 0.099 175.920 176.000 -0.298 0.000 1.023 599 Q CA -0.740 54.815 55.803 -0.413 0.000 0.758 599 Q CB 1.635 29.789 28.738 -0.974 0.000 1.247 599 Q HN 0.525 nan 8.270 nan 0.000 0.455 600 G N 2.071 110.740 108.800 -0.219 0.000 2.479 600 G HA2 0.465 4.424 3.960 -0.001 0.000 0.275 600 G HA3 0.465 4.424 3.960 -0.001 0.000 0.275 600 G C -0.478 174.275 174.900 -0.244 0.000 1.421 600 G CA -0.092 44.875 45.100 -0.222 0.000 1.059 600 G HN 0.828 nan 8.290 nan 0.000 0.535 601 A N -1.510 121.156 122.820 -0.257 0.000 2.304 601 A HA 0.716 5.035 4.320 -0.001 0.000 0.271 601 A C -0.406 177.155 177.584 -0.037 0.000 1.091 601 A CA -0.218 51.705 52.037 -0.189 0.000 0.812 601 A CB 0.499 19.334 19.000 -0.275 0.000 1.056 601 A HN 0.575 nan 8.150 nan 0.000 0.489 602 L N 0.878 122.142 121.223 0.068 0.000 2.482 602 L HA 0.361 4.701 4.340 -0.001 0.000 0.263 602 L C -2.588 174.385 176.870 0.173 0.000 0.957 602 L CA -1.846 53.057 54.840 0.105 0.000 0.836 602 L CB 2.647 44.764 42.059 0.098 0.000 1.324 602 L HN 0.428 nan 8.230 nan 0.000 0.406 603 P HA 0.165 nan 4.420 nan 0.000 0.259 603 P C 0.671 178.078 177.300 0.178 0.000 1.211 603 P CA 0.684 63.882 63.100 0.163 0.000 0.810 603 P CB 0.456 32.223 31.700 0.113 0.000 0.815 604 G N 2.367 111.319 108.800 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 0.390 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 1.337 121.146 119.600 0.347 0.000 2.233 605 M HA 0.521 5.000 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 -0.207 55.321 55.300 0.380 0.000 1.150 605 M CB 1.539 34.376 32.600 0.395 0.000 1.530 605 M HN 0.481 nan 8.290 nan 0.000 0.459 606 V N 0.865 120.963 119.914 0.307 0.000 2.686 606 V HA 0.835 4.954 4.120 -0.001 0.000 0.306 606 V C -1.608 174.607 176.094 0.202 0.000 1.065 606 V CA -0.679 61.667 62.300 0.077 0.000 0.894 606 V CB 1.205 32.937 31.823 -0.151 0.000 1.004 606 V HN 1.076 nan 8.190 nan 0.000 0.424 607 W N 2.461 123.738 121.300 -0.038 0.000 3.029 607 W HA 0.887 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 1.775 31.223 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 -0.403 175.716 176.000 0.199 0.000 0.974 608 Q CA -0.265 55.583 55.803 0.076 0.000 0.876 608 Q CB 1.326 30.092 28.738 0.047 0.000 1.297 608 Q HN 0.410 nan 8.270 nan 0.000 0.446 609 D N 1.054 121.539 120.400 0.141 0.000 2.414 609 D HA 0.205 4.845 4.640 -0.001 0.000 0.259 609 D C 0.483 176.873 176.300 0.149 0.000 1.269 609 D CA -0.194 53.933 54.000 0.211 0.000 1.028 609 D CB 0.604 41.539 40.800 0.225 0.000 1.093 609 D HN 0.464 nan 8.370 nan 0.000 0.545 610 R N -0.301 120.304 120.500 0.175 0.000 3.213 610 R HA 0.246 4.585 4.340 -0.001 0.000 0.188 610 R C -0.268 176.141 176.300 0.181 0.000 0.931 610 R CA 0.080 56.283 56.100 0.172 0.000 1.218 610 R CB 0.026 30.440 30.300 0.190 0.000 0.742 610 R HN 0.424 nan 8.270 nan 0.000 0.484 611 D N -0.841 119.656 120.400 0.162 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 -0.189 0.000 1.143 611 D CA -0.556 53.459 54.000 0.025 0.000 0.881 611 D CB 1.983 42.684 40.800 -0.165 0.000 1.500 611 D HN 0.244 nan 8.370 nan 0.000 0.458 612 V N 0.160 119.828 119.914 -0.408 0.000 2.483 612 V HA 0.694 4.814 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 0.759 32.396 31.823 -0.310 0.000 0.986 612 V HN 0.439 nan 8.190 nan 0.000 0.447 613 Y N 2.719 123.127 120.300 0.179 0.000 2.549 613 Y HA 0.581 5.130 4.550 -0.001 0.000 0.339 613 Y C 0.857 176.587 175.900 -0.284 0.000 1.053 613 Y CA -1.077 57.079 58.100 0.094 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 1.411 122.283 121.223 -0.584 0.000 2.151 614 L HA -0.243 4.097 4.340 -0.001 0.000 0.215 614 L C 1.710 178.360 176.870 -0.366 0.000 1.084 614 L CA 2.050 56.191 54.840 -1.166 0.000 0.764 614 L CB -0.438 41.006 42.059 -1.025 0.000 0.891 614 L HN 0.825 nan 8.230 nan 0.000 0.435 615 Q N -1.384 118.304 119.800 -0.187 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 0.033 0.000 0.833 615 Q CA 0.376 56.168 55.803 -0.018 0.000 0.990 615 Q CB -0.304 28.282 28.738 -0.253 0.000 1.132 615 Q HN 0.363 nan 8.270 nan 0.000 0.493 616 G N 2.278 111.234 108.800 0.259 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 -1.254 44.138 45.100 0.486 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 0.433 177.700 177.300 -0.055 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 -1.050 119.349 120.570 -0.287 0.000 2.900 618 I HA 0.182 4.351 4.170 -0.001 0.000 0.251 618 I C 0.678 176.982 176.117 0.313 0.000 1.102 618 I CA 0.554 61.747 61.300 -0.179 0.000 1.457 618 I CB -0.296 37.644 38.000 -0.099 0.000 1.285 618 I HN 0.445 nan 8.210 nan 0.000 0.459 619 W N 1.053 122.472 121.300 0.198 0.000 3.207 619 W HA 0.827 5.487 4.660 -0.000 0.000 0.326 619 W C -1.201 175.431 176.519 0.187 0.000 1.190 619 W CA -1.218 56.279 57.345 0.254 0.000 1.011 619 W CB 0.821 30.471 29.460 0.317 0.000 1.511 619 W HN -0.069 nan 8.180 nan 0.000 0.606 620 A N 1.327 124.428 122.820 0.468 0.000 2.555 620 A HA 0.450 4.769 4.320 -0.001 0.000 0.297 620 A C -1.554 176.176 177.584 0.243 0.000 1.060 620 A CA -1.091 51.119 52.037 0.289 0.000 0.710 620 A CB 1.469 20.565 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 0.365 4.685 4.320 -0.001 0.000 0.291 621 K C -0.483 176.066 176.600 -0.084 0.000 1.074 621 K CA -0.273 55.944 56.287 -0.118 0.000 0.936 621 K CB -0.235 31.976 32.500 -0.481 0.000 1.049 621 K HN 0.615 nan 8.250 nan 0.000 0.471 622 I N 7.584 128.079 120.570 -0.125 0.000 2.742 622 I HA -0.042 4.128 4.170 -0.001 0.000 0.287 622 I C -1.780 174.248 176.117 -0.147 0.000 1.186 622 I CA -1.579 59.625 61.300 -0.160 0.000 1.417 622 I CB 0.100 37.925 38.000 -0.291 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 -0.541 176.821 177.300 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 1.783 120.872 119.070 0.032 0.000 2.982 624 H HA 0.270 4.826 4.556 -0.001 0.000 0.261 624 H C 0.252 175.635 175.328 0.092 0.000 1.603 624 H CA 0.011 56.095 56.048 0.060 0.000 1.398 624 H CB -0.543 29.219 29.762 0.001 0.000 1.693 624 H HN 0.322 nan 8.280 nan 0.000 0.535 625 T N -0.674 113.890 114.554 0.018 0.000 2.870 625 T HA 0.148 4.497 4.350 -0.001 0.000 0.277 625 T C 1.004 175.560 174.700 -0.239 0.000 1.000 625 T CA -0.899 61.162 62.100 -0.066 0.000 0.982 625 T CB 1.170 70.016 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 0.199 4.839 4.640 -0.001 0.000 0.205 626 D C 0.878 176.993 176.300 -0.309 0.000 0.965 626 D CA 1.094 54.977 54.000 -0.195 0.000 0.852 626 D CB -0.165 40.574 40.800 -0.103 0.000 0.947 626 D HN 0.826 nan 8.370 nan 0.000 0.494 627 G N -0.640 107.894 108.800 -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 -1.339 173.204 174.900 -0.594 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 1.323 120.406 119.070 0.021 0.000 2.928 628 H HA 0.512 5.068 4.556 -0.001 0.000 0.371 628 H C -0.430 174.978 175.328 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 32.294 29.762 0.013 0.000 1.824 628 H HN 0.409 nan 8.280 nan 0.000 0.554 629 F N 0.850 120.892 119.950 0.154 0.000 2.324 629 F HA 0.092 4.619 4.527 -0.001 0.000 0.260 629 F C 0.831 176.767 175.800 0.227 0.000 1.073 629 F CA 0.692 58.782 58.000 0.150 0.000 1.073 629 F CB 0.344 39.407 39.000 0.106 0.000 1.114 629 F HN 0.514 nan 8.300 nan 0.000 0.588 630 H N 1.957 121.039 119.070 0.020 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 -2.149 53.891 56.048 -0.014 0.000 1.373 630 H CB 0.238 30.111 29.762 0.185 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 -0.381 176.915 177.300 -0.008 0.000 1.670 631 P CA 0.323 63.415 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 1.901 117.666 115.700 0.107 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 56.179 58.200 0.145 0.000 1.099 632 S CB 0.271 63.630 63.200 0.266 0.000 1.004 632 S HN -0.026 nan 8.310 nan 0.000 0.475 633 P HA 0.033 nan 4.420 nan 0.000 0.258 633 P C 0.719 178.091 177.300 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 2.441 123.728 121.223 0.107 0.000 2.127 634 L HA -0.166 4.173 4.340 -0.001 0.000 0.211 634 L C 2.066 179.003 176.870 0.112 0.000 1.089 634 L CA 1.567 56.471 54.840 0.107 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 -0.860 118.802 119.600 0.103 0.000 2.619 635 M HA 0.140 4.620 4.480 -0.001 0.000 0.251 635 M C 0.726 177.113 176.300 0.144 0.000 1.106 635 M CA 0.502 55.868 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 -0.140 108.739 108.800 0.131 0.000 2.674 636 G HA2 0.291 4.250 3.960 -0.001 0.000 0.686 636 G HA3 0.291 4.250 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 0.733 nan 8.290 nan 0.000 0.654 637 G N -0.550 108.224 108.800 -0.043 0.000 2.297 637 G HA2 0.452 4.411 3.960 -0.001 0.000 0.209 637 G HA3 0.452 4.411 3.960 -0.001 0.000 0.209 637 G C -0.649 174.079 174.900 -0.287 0.000 1.267 637 G CA -0.081 44.904 45.100 -0.191 0.000 1.127 637 G HN 1.625 nan 8.290 nan 0.000 0.498 638 F N 1.963 122.054 119.950 0.234 0.000 2.388 638 F HA 0.568 5.095 4.527 -0.001 0.000 0.358 638 F C 1.131 177.044 175.800 0.188 0.000 1.122 638 F CA 0.070 58.180 58.000 0.185 0.000 1.056 638 F CB 2.014 41.114 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 0.516 4.476 3.960 -0.001 0.000 0.279 639 G HA3 0.516 4.476 3.960 -0.001 0.000 0.279 639 G C -0.822 174.148 174.900 0.117 0.000 1.189 639 G CA -0.417 44.774 45.100 0.152 0.000 0.941 639 G HN 0.580 nan 8.290 nan 0.000 0.445 640 L N 3.119 124.402 121.223 0.101 0.000 2.356 640 L HA 0.360 4.699 4.340 -0.001 0.000 0.277 640 L C 1.156 177.946 176.870 -0.133 0.000 0.996 640 L CA -1.114 53.749 54.840 0.038 0.000 0.822 640 L CB 2.218 44.352 42.059 0.125 0.000 1.256 640 L HN 0.424 nan 8.230 nan 0.000 0.413 641 K N 1.038 121.313 120.400 -0.208 0.000 2.026 641 K HA -0.034 4.285 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 1.351 57.357 56.287 -0.469 0.000 0.929 641 K CB 0.044 32.267 32.500 -0.462 0.000 0.713 641 K HN 0.540 nan 8.250 nan 0.000 0.439 642 H N 0.579 119.524 119.070 -0.208 0.000 2.645 642 H HA 0.312 4.867 4.556 -0.001 0.000 0.257 642 H C -2.414 172.915 175.328 0.002 0.000 1.269 642 H CA -2.229 53.667 56.048 -0.253 0.000 1.409 642 H CB 1.151 30.911 29.762 -0.003 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 31.892 31.700 -0.124 0.000 1.092 644 P HA -0.031 nan 4.420 nan 0.000 0.251 644 P C -2.006 175.097 177.300 -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 -1.145 0.000 0.759 645 P HA -0.073 nan 4.420 nan 0.000 0.270 645 P C -0.307 176.863 177.300 -0.218 0.000 1.221 645 P CA 0.292 63.287 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 0.503 120.146 119.800 -0.262 0.000 2.286 646 Q HA 0.344 4.683 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 0.292 28.742 28.738 -0.479 0.000 1.192 646 Q HN 0.314 nan 8.270 nan 0.000 0.410 647 I N 3.114 123.383 120.570 -0.500 0.000 2.307 647 I HA 0.198 4.368 4.170 -0.001 0.000 0.289 647 I C -0.418 175.454 176.117 -0.410 0.000 1.021 647 I CA -0.146 60.812 61.300 -0.569 0.000 1.224 647 I CB 0.801 38.399 38.000 -0.670 0.000 1.376 647 I HN 0.499 nan 8.210 nan 0.000 0.470 648 M N 6.642 125.834 119.600 -0.680 0.000 2.359 648 M HA 0.610 5.089 4.480 -0.001 0.000 0.322 648 M C -0.738 175.527 176.300 -0.058 0.000 1.166 648 M CA -0.355 54.662 55.300 -0.472 0.000 1.067 648 M CB 1.439 33.410 32.600 -1.049 0.000 1.523 648 M HN 0.494 nan 8.290 nan 0.000 0.467 649 I N 2.252 122.956 120.570 0.223 0.000 2.775 649 I HA 0.683 4.853 4.170 -0.001 0.000 0.295 649 I C -1.845 174.301 176.117 0.049 0.000 1.287 649 I CA -0.234 61.148 61.300 0.138 0.000 1.029 649 I CB 1.695 39.657 38.000 -0.063 0.000 1.282 649 I HN 0.683 nan 8.210 nan 0.000 0.426 650 K N 3.458 123.736 120.400 -0.204 0.000 2.598 650 K HA 0.548 4.868 4.320 -0.001 0.000 0.271 650 K C -2.011 174.412 176.600 -0.295 0.000 0.947 650 K CA -0.698 55.338 56.287 -0.419 0.000 0.854 650 K CB 0.610 32.428 32.500 -1.137 0.000 1.401 650 K HN 0.326 nan 8.250 nan 0.000 0.415 651 N N 1.189 119.781 118.700 -0.179 0.000 2.442 651 N HA 0.178 4.917 4.740 -0.001 0.000 0.265 651 N C -0.871 174.563 175.510 -0.127 0.000 1.138 651 N CA -0.317 52.679 53.050 -0.089 0.000 0.956 651 N CB 1.089 39.571 38.487 -0.008 0.000 1.067 651 N HN 0.655 nan 8.380 nan 0.000 0.474 652 T N 4.069 118.550 114.554 -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 -0.202 0.000 0.970 652 T CA -0.594 61.416 62.100 -0.151 0.000 1.168 652 T CB 0.074 68.889 68.868 -0.090 0.000 0.911 652 T HN 0.284 nan 8.240 nan 0.000 0.535 653 P HA 0.138 nan 4.420 nan 0.000 0.263 653 P C -0.821 176.259 177.300 -0.367 0.000 1.195 653 P CA -0.143 62.493 63.100 -0.772 0.000 0.762 653 P CB 0.380 31.420 31.700 -1.101 0.000 0.799 654 V N 7.244 127.041 119.914 -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 60.149 62.300 0.011 0.000 0.832 654 V CB 1.459 33.299 31.823 0.027 0.000 0.999 654 V HN 0.455 nan 8.190 nan 0.000 0.439 655 P HA 0.139 nan 4.420 nan 0.000 0.263 655 P C 0.237 177.628 177.300 0.151 0.000 1.195 655 P CA 0.457 63.626 63.100 0.114 0.000 0.762 655 P CB 0.688 32.202 31.700 -0.310 0.000 0.799 656 A N 4.366 127.317 122.820 0.218 0.000 2.404 656 A HA 0.035 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 -0.054 52.076 52.037 0.155 0.000 0.847 656 A CB -0.350 18.719 19.000 0.114 0.000 1.473 656 A HN 0.596 nan 8.150 nan 0.000 0.602 657 N N 0.805 119.568 118.700 0.105 0.000 2.470 657 N HA 0.300 5.040 4.740 -0.001 0.000 0.268 657 N C -2.606 172.973 175.510 0.115 0.000 1.136 657 N CA -0.883 52.221 53.050 0.091 0.000 0.961 657 N CB 0.310 38.826 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 -2.632 174.714 177.300 0.077 0.000 1.270 658 P CA -1.252 61.950 63.100 0.169 0.000 0.844 658 P CB 0.290 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 -1.234 113.345 114.554 0.042 0.000 3.035 660 T HA -0.028 4.322 4.350 -0.001 0.000 0.268 660 T C 0.911 175.652 174.700 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 1.029 115.621 114.554 0.063 0.000 2.867 661 T HA 0.486 4.835 4.350 -0.001 0.000 0.282 661 T C -0.740 174.034 174.700 0.123 0.000 1.000 661 T CA -0.972 61.180 62.100 0.087 0.000 1.042 661 T CB 0.256 69.155 68.868 0.051 0.000 0.973 661 T HN 0.132 nan 8.240 nan 0.000 0.465 662 F N 4.250 124.212 119.950 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 0.644 39.662 39.000 0.029 0.000 1.132 662 F HN 0.447 nan 8.300 nan 0.000 0.570 663 S N 6.926 122.121 115.700 -0.843 0.000 2.605 663 S HA 0.509 4.979 4.470 -0.001 0.000 0.308 663 S C -1.904 172.141 174.600 -0.924 0.000 1.113 663 S CA -1.282 56.499 58.200 -0.699 0.000 1.049 663 S CB 1.407 64.405 63.200 -0.337 0.000 1.001 663 S HN 0.532 nan 8.310 nan 0.000 0.480 664 P HA 0.224 nan 4.420 nan 0.000 0.236 664 P C 0.166 177.374 177.300 -0.154 0.000 1.177 664 P CA 0.149 63.050 63.100 -0.333 0.000 0.773 664 P CB -0.041 31.591 31.700 -0.113 0.000 0.878 665 A N 0.908 123.626 122.820 -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 -0.211 51.766 52.037 -0.100 0.000 0.760 665 A CB -0.304 18.620 19.000 -0.127 0.000 0.995 665 A HN 0.065 nan 8.150 nan 0.000 0.501 666 K N 1.661 122.063 120.400 0.003 0.000 2.524 666 K HA 0.016 4.336 4.320 -0.001 0.000 0.279 666 K C -0.825 175.809 176.600 0.057 0.000 0.993 666 K CA 0.236 56.568 56.287 0.075 0.000 1.030 666 K CB 0.056 32.612 32.500 0.093 0.000 0.891 666 K HN 0.497 nan 8.250 nan 0.000 0.488 667 F N 2.988 122.939 119.950 0.003 0.000 2.456 667 F HA 0.243 4.770 4.527 -0.001 0.000 0.358 667 F C 0.707 176.423 175.800 -0.141 0.000 1.095 667 F CA 0.765 58.706 58.000 -0.099 0.000 1.216 667 F CB 1.211 40.165 39.000 -0.077 0.000 1.125 667 F HN 0.681 nan 8.300 nan 0.000 0.549 668 A N 3.071 125.686 122.820 -0.342 0.000 2.704 668 A HA 0.181 4.500 4.320 -0.001 0.000 0.260 668 A C 0.129 177.475 177.584 -0.396 0.000 1.144 668 A CA 0.025 51.943 52.037 -0.198 0.000 0.985 668 A CB -0.123 18.863 19.000 -0.024 0.000 1.256 668 A HN 0.480 nan 8.150 nan 0.000 0.598 669 S N 0.714 116.009 115.700 -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 -0.326 0.000 1.078 669 S CA -0.338 57.626 58.200 -0.394 0.000 1.115 669 S CB -0.541 62.448 63.200 -0.351 0.000 1.006 669 S HN 0.202 nan 8.310 nan 0.000 0.487 670 F N 3.051 123.129 119.950 0.213 0.000 2.556 670 F HA 0.571 5.098 4.527 -0.001 0.000 0.327 670 F C 0.439 176.327 175.800 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 1.498 122.262 120.570 0.322 0.000 2.471 671 I HA 0.113 4.283 4.170 -0.001 0.000 0.286 671 I C 0.347 176.588 176.117 0.207 0.000 1.079 671 I CA -0.361 61.059 61.300 0.200 0.000 1.398 671 I CB 0.914 38.995 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 0.768 69.693 68.868 0.094 0.000 0.902 672 T HN 0.732 nan 8.240 nan 0.000 0.528 673 Q N 2.306 122.177 119.800 0.120 0.000 2.472 673 Q HA 0.563 4.902 4.340 -0.001 0.000 0.281 673 Q C -1.775 174.305 176.000 0.132 0.000 0.997 673 Q CA -1.355 54.506 55.803 0.096 0.000 0.828 673 Q CB 1.492 30.248 28.738 0.029 0.000 1.443 673 Q HN 0.863 nan 8.270 nan 0.000 0.390 674 Y N -1.140 119.151 120.300 -0.015 0.000 2.545 674 Y HA 0.837 5.386 4.550 -0.001 0.000 0.348 674 Y C -0.847 175.058 175.900 0.008 0.000 1.002 674 Y CA -0.825 57.262 58.100 -0.022 0.000 1.039 674 Y CB 2.037 40.467 38.460 -0.050 0.000 1.271 674 Y HN 0.819 nan 8.280 nan 0.000 0.467 675 S N 1.071 116.831 115.700 0.099 0.000 2.621 675 S HA 0.849 5.319 4.470 -0.001 0.000 0.302 675 S C -0.651 174.035 174.600 0.143 0.000 1.093 675 S CA -0.462 57.788 58.200 0.083 0.000 1.017 675 S CB 1.941 65.281 63.200 0.234 0.000 1.077 675 S HN 1.073 nan 8.310 nan 0.000 0.517 676 T N -0.455 114.004 114.554 -0.159 0.000 2.853 676 T HA 0.760 5.110 4.350 -0.001 0.000 0.311 676 T C -0.347 173.656 174.700 -1.162 0.000 1.307 676 T CA 0.269 61.949 62.100 -0.701 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 1.798 109.449 108.800 -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 -2.091 172.011 174.900 -1.329 0.000 1.274 677 G CA -0.666 43.694 45.100 -1.234 0.000 0.857 677 G HN 0.768 nan 8.290 nan 0.000 0.499 678 Q N -1.351 118.045 119.800 -0.673 0.000 2.248 678 Q HA 0.757 5.097 4.340 -0.001 0.000 0.263 678 Q C -0.571 175.209 176.000 -0.367 0.000 1.007 678 Q CA -0.729 54.719 55.803 -0.591 0.000 0.877 678 Q CB 2.540 30.789 28.738 -0.814 0.000 1.315 678 Q HN 0.973 nan 8.270 nan 0.000 0.454 679 V N 0.206 120.032 119.914 -0.148 0.000 2.841 679 V HA 0.830 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 -0.317 61.874 62.300 -0.181 0.000 0.930 679 V CB 2.343 34.115 31.823 -0.084 0.000 1.014 679 V HN 0.692 nan 8.190 nan 0.000 0.425 680 S N 4.311 119.898 115.700 -0.188 0.000 2.557 680 S HA 0.817 5.287 4.470 -0.001 0.000 0.291 680 S C -1.477 172.954 174.600 -0.281 0.000 1.116 680 S CA -0.453 57.665 58.200 -0.136 0.000 0.992 680 S CB 1.596 64.835 63.200 0.065 0.000 1.028 680 S HN 0.878 nan 8.310 nan 0.000 0.484 681 V N 4.955 124.735 119.914 -0.225 0.000 2.443 681 V HA 0.498 4.618 4.120 -0.001 0.000 0.293 681 V C -0.233 175.784 176.094 -0.129 0.000 1.021 681 V CA -0.650 61.513 62.300 -0.228 0.000 0.848 681 V CB 1.478 33.021 31.823 -0.468 0.000 0.998 681 V HN 0.902 nan 8.190 nan 0.000 0.424 682 E N 5.477 125.612 120.200 -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 -0.083 0.000 0.936 682 E CA -0.520 55.828 56.400 -0.086 0.000 0.777 682 E CB 1.425 31.060 29.700 -0.109 0.000 1.108 682 E HN 0.647 nan 8.360 nan 0.000 0.401 683 I N 3.533 124.058 120.570 -0.075 0.000 2.498 683 I HA 0.269 4.439 4.170 -0.001 0.000 0.290 683 I C -0.216 175.769 176.117 -0.220 0.000 1.032 683 I CA -0.801 60.398 61.300 -0.168 0.000 1.073 683 I CB 2.061 39.910 38.000 -0.252 0.000 1.251 683 I HN 0.555 nan 8.210 nan 0.000 0.426 684 E N 5.221 125.240 120.200 -0.302 0.000 2.231 684 E HA 0.372 4.722 4.350 -0.001 0.000 0.277 684 E C -1.934 174.426 176.600 -0.400 0.000 0.999 684 E CA -0.584 55.692 56.400 -0.207 0.000 0.827 684 E CB 1.303 30.931 29.700 -0.120 0.000 1.101 684 E HN 0.405 nan 8.360 nan 0.000 0.393 685 W N 2.733 124.022 121.300 -0.017 0.000 2.619 685 W HA 0.287 4.947 4.660 -0.001 0.000 0.327 685 W C -0.203 176.362 176.519 0.076 0.000 1.027 685 W CA -0.701 56.675 57.345 0.052 0.000 1.233 685 W CB 1.250 30.805 29.460 0.157 0.000 1.370 685 W HN 0.459 nan 8.180 nan 0.000 0.453 686 E N 3.251 123.600 120.200 0.248 0.000 2.331 686 E HA 0.473 4.823 4.350 -0.001 0.000 0.272 686 E C -0.900 175.978 176.600 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 0.361 4.701 4.340 -0.001 0.000 0.271 687 L C -0.299 176.810 176.870 0.398 0.000 1.008 687 L CA -0.764 54.376 54.840 0.501 0.000 0.818 687 L CB 1.922 44.200 42.059 0.365 0.000 1.296 687 L HN 0.545 nan 8.230 nan 0.000 0.427 688 Q N 3.105 123.069 119.800 0.274 0.000 2.394 688 Q HA 0.251 4.591 4.340 -0.001 0.000 0.259 688 Q C -0.822 175.183 176.000 0.010 0.000 1.021 688 Q CA -0.786 54.981 55.803 -0.061 0.000 0.805 688 Q CB 1.164 29.619 28.738 -0.472 0.000 1.226 688 Q HN 0.343 nan 8.270 nan 0.000 0.476 689 K N 1.837 122.199 120.400 -0.063 0.000 2.230 689 K HA 0.050 4.370 4.320 -0.001 0.000 0.253 689 K C -0.099 176.244 176.600 -0.429 0.000 1.008 689 K CA -0.004 56.187 56.287 -0.159 0.000 0.910 689 K CB 0.657 33.074 32.500 -0.139 0.000 0.994 689 K HN 0.657 nan 8.250 nan 0.000 0.495 690 E N 1.985 121.817 120.200 -0.613 0.000 2.200 690 E HA 0.034 4.384 4.350 -0.001 0.000 0.283 690 E C -1.018 175.004 176.600 -0.963 0.000 1.015 690 E CA -0.205 55.414 56.400 -1.302 0.000 0.819 690 E CB 0.555 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 2.949 121.015 118.700 -1.058 0.000 2.762 691 N HA 0.115 4.855 4.740 -0.001 0.000 0.252 691 N C -1.841 173.567 175.510 -0.169 0.000 1.269 691 N CA -0.223 52.576 53.050 -0.419 0.000 0.799 691 N CB 0.969 39.319 38.487 -0.227 0.000 1.173 691 N HN 0.232 nan 8.380 nan 0.000 0.516 692 S N 1.104 116.714 115.700 -0.151 0.000 2.513 692 S HA 0.444 4.913 4.470 -0.001 0.000 0.299 692 S C 0.063 174.684 174.600 0.036 0.000 1.087 692 S CA -0.617 57.626 58.200 0.071 0.000 1.012 692 S CB 0.669 63.989 63.200 0.200 0.000 1.044 692 S HN 0.261 nan 8.310 nan 0.000 0.485 693 K N 2.367 122.815 120.400 0.079 0.000 2.493 693 K HA 0.156 4.475 4.320 -0.001 0.000 0.207 693 K C 0.269 176.944 176.600 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 32.417 32.500 0.085 0.000 0.873 693 K HN 0.555 nan 8.250 nan 0.000 0.491 694 R N 0.964 121.535 120.500 0.119 0.000 2.502 694 R HA -0.108 4.232 4.340 -0.001 0.000 0.292 694 R C 1.083 177.474 176.300 0.152 0.000 0.998 694 R CA 0.235 56.419 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 5.832 127.146 121.300 0.024 0.000 2.452 695 W HA -0.091 4.568 4.660 -0.001 0.000 0.313 695 W C -0.102 176.426 176.519 0.015 0.000 1.176 695 W CA 1.126 58.480 57.345 0.015 0.000 1.350 695 W CB -0.230 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 0.204 0.000 2.444 696 N HA 0.089 4.829 4.740 -0.001 0.000 0.255 696 N C -2.700 172.814 175.510 0.006 0.000 1.255 696 N CA -1.051 52.051 53.050 0.086 0.000 0.933 696 N CB -0.609 37.977 38.487 0.164 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 0.271 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 1.349 121.574 120.200 0.042 0.000 2.292 698 E HA 0.366 4.716 4.350 -0.001 0.000 0.258 698 E C 0.289 176.942 176.600 0.088 0.000 1.115 698 E CA -0.995 55.452 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 -1.200 119.440 120.570 0.116 0.000 2.474 699 I HA 0.197 4.366 4.170 -0.001 0.000 0.287 699 I C -0.350 175.927 176.117 0.267 0.000 1.048 699 I CA -0.483 60.908 61.300 0.151 0.000 1.383 699 I CB 0.649 38.719 38.000 0.117 0.000 1.412 699 I HN 0.169 nan 8.210 nan 0.000 0.531 700 Q N 4.688 124.639 119.800 0.251 0.000 2.394 700 Q HA 0.303 4.643 4.340 -0.001 0.000 0.273 700 Q C -1.405 174.733 176.000 0.230 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 0.998 121.189 120.300 -0.182 0.000 2.346 701 Y HA 0.295 4.844 4.550 -0.001 0.000 0.330 701 Y C -0.115 175.764 175.900 -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 39.124 38.460 -0.542 0.000 1.253 701 Y HN 0.616 nan 8.280 nan 0.000 0.529 702 T N 3.630 117.779 114.554 -0.675 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 0.869 69.664 68.868 -0.122 0.000 1.317 702 T HN 0.613 nan 8.240 nan 0.000 0.495 703 S N 2.048 117.694 115.700 -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 57.575 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 1.934 120.663 118.700 0.048 0.000 2.427 704 N HA 0.054 4.794 4.740 -0.001 0.000 0.269 704 N C 0.651 176.207 175.510 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 38.659 38.487 0.003 0.000 1.121 704 N HN 0.755 nan 8.380 nan 0.000 0.480 705 Y N 1.096 121.394 120.300 -0.004 0.000 2.639 705 Y HA 0.078 4.628 4.550 -0.001 0.000 0.297 705 Y C 0.062 175.965 175.900 0.004 0.000 1.151 705 Y CA -0.512 57.590 58.100 0.003 0.000 1.335 705 Y CB -0.159 38.301 38.460 0.000 0.000 0.994 705 Y HN 0.313 nan 8.280 nan 0.000 0.548 706 N N 2.534 120.872 118.700 -0.603 0.000 2.415 706 N HA -0.032 4.708 4.740 -0.001 0.000 0.248 706 N C -0.497 174.875 175.510 -0.230 0.000 1.271 706 N CA -0.200 52.526 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 0.554 120.850 120.400 -0.175 0.000 2.453 707 K HA 0.003 4.323 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 0.361 56.593 56.287 -0.093 0.000 1.059 707 K CB 0.217 32.674 32.500 -0.072 0.000 0.901 707 K HN 0.453 nan 8.250 nan 0.000 0.475 708 S N 2.785 118.454 115.700 -0.052 0.000 2.599 708 S HA 0.328 4.798 4.470 -0.001 0.000 0.294 708 S C 0.843 175.424 174.600 -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 -0.035 0.000 1.093 708 S HN 0.366 nan 8.310 nan 0.000 0.488 709 V N 3.235 123.129 119.914 -0.034 0.000 2.238 709 V HA -0.009 4.111 4.120 -0.001 0.000 0.235 709 V C 0.797 176.873 176.094 -0.029 0.000 1.037 709 V CA 1.485 63.766 62.300 -0.032 0.000 0.991 709 V CB -0.865 30.936 31.823 -0.037 0.000 0.638 709 V HN 0.836 nan 8.190 nan 0.000 0.457 710 N N -0.900 117.778 118.700 -0.036 0.000 2.472 710 N HA 0.477 5.217 4.740 -0.001 0.000 0.289 710 N C -1.031 174.463 175.510 -0.026 0.000 1.156 710 N CA -0.601 52.428 53.050 -0.036 0.000 0.940 710 N CB 1.974 40.426 38.487 -0.059 0.000 1.200 710 N HN 0.084 nan 8.380 nan 0.000 0.511 711 V N 1.379 121.288 119.914 -0.009 0.000 2.530 711 V HA 0.044 4.164 4.120 -0.001 0.000 0.282 711 V C -0.065 176.041 176.094 0.020 0.000 1.048 711 V CA -0.436 61.878 62.300 0.024 0.000 0.997 711 V CB 0.768 32.625 31.823 0.056 0.000 0.987 711 V HN 0.615 nan 8.190 nan 0.000 0.477 712 D N 4.646 125.081 120.400 0.058 0.000 2.487 712 D HA 0.105 4.745 4.640 -0.001 0.000 0.243 712 D C 0.109 176.533 176.300 0.207 0.000 1.154 712 D CA 0.681 54.715 54.000 0.058 0.000 0.876 712 D CB 0.014 40.940 40.800 0.209 0.000 1.161 712 D HN 0.483 nan 8.370 nan 0.000 0.478 713 F N 0.019 119.919 119.950 -0.082 0.000 2.563 713 F HA -0.266 4.261 4.527 -0.001 0.000 0.351 713 F C 0.314 176.095 175.800 -0.032 0.000 1.086 713 F CA 0.351 58.265 58.000 -0.143 0.000 1.174 713 F CB -1.739 37.301 39.000 0.066 0.000 1.590 713 F HN 0.165 nan 8.300 nan 0.000 0.808 714 T N -0.765 113.719 114.554 -0.117 0.000 2.786 714 T HA 0.608 4.957 4.350 -0.001 0.000 0.316 714 T C -0.173 174.457 174.700 -0.116 0.000 1.503 714 T CA -0.463 61.651 62.100 0.023 0.000 1.019 714 T CB 1.930 70.826 68.868 0.046 0.000 1.415 714 T HN 0.494 nan 8.240 nan 0.000 0.496 715 V N 0.358 120.211 119.914 -0.102 0.000 3.185 715 V HA 0.637 4.757 4.120 -0.001 0.000 0.305 715 V C 0.234 176.274 176.094 -0.091 0.000 1.090 715 V CA -0.374 61.841 62.300 -0.141 0.000 1.107 715 V CB 0.396 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 1.068 121.419 120.400 -0.082 0.000 2.509 716 D HA 0.244 4.883 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 0.360 54.323 54.000 -0.061 0.000 1.098 716 D CB -0.249 40.511 40.800 -0.067 0.000 1.177 716 D HN 0.688 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 -0.121 4.228 4.350 -0.001 0.000 0.269 717 T C 0.685 175.374 174.700 -0.018 0.000 1.071 717 T CA 1.276 63.363 62.100 -0.022 0.000 1.132 717 T CB -0.769 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 0.256 118.943 118.700 -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 -0.166 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 0.500 nan 8.380 nan 0.000 0.515 719 G N -0.128 108.659 108.800 -0.022 0.000 2.470 719 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.286 719 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.286 719 G C -0.939 173.944 174.900 -0.028 0.000 1.115 719 G CA -0.005 45.081 45.100 -0.023 0.000 1.122 719 G HN 0.343 nan 8.290 nan 0.000 0.522 720 V N 1.901 121.783 119.914 -0.053 0.000 2.488 720 V HA 0.411 4.531 4.120 -0.001 0.000 0.293 720 V C 0.018 176.068 176.094 -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 33.316 31.823 -0.034 0.000 1.008 720 V HN 0.564 nan 8.190 nan 0.000 0.428 721 Y N 4.414 124.582 120.300 -0.220 0.000 2.511 721 Y HA 0.461 5.011 4.550 -0.001 0.000 0.332 721 Y C 0.719 176.534 175.900 -0.142 0.000 1.177 721 Y CA 0.267 58.215 58.100 -0.254 0.000 1.422 721 Y CB 1.014 39.300 38.460 -0.291 0.000 1.271 721 Y HN 0.730 nan 8.280 nan 0.000 0.550 722 S N 4.371 119.633 115.700 -0.729 0.000 2.619 722 S HA 0.413 4.883 4.470 -0.001 0.000 0.280 722 S C -1.506 172.640 174.600 -0.756 0.000 1.150 722 S CA -1.197 56.672 58.200 -0.553 0.000 0.978 722 S CB 1.404 64.398 63.200 -0.345 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 4.567 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 -2.002 54.036 56.400 -0.603 0.000 0.833 723 E CB 0.458 30.044 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 0.204 177.340 177.300 -0.273 0.000 1.180 724 P CA 1.520 64.322 63.100 -0.496 0.000 0.935 724 P CB 0.181 31.559 31.700 -0.538 0.000 0.785 725 R N -1.613 118.777 120.500 -0.183 0.000 2.892 725 R HA 0.616 4.956 4.340 -0.001 0.000 0.265 725 R C -2.949 173.407 176.300 0.092 0.000 1.025 725 R CA -2.322 53.786 56.100 0.014 0.000 0.982 725 R CB 0.097 30.471 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 32.251 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 1.167 177.644 176.117 0.599 0.000 1.002 727 I CA -0.314 61.214 61.300 0.379 0.000 1.135 727 I CB 0.751 38.848 38.000 0.161 0.000 1.288 727 I HN 0.418 nan 8.210 nan 0.000 0.448 728 G N 3.528 112.679 108.800 0.585 0.000 2.631 728 G HA2 0.223 4.182 3.960 -0.001 0.000 0.271 728 G HA3 0.223 4.182 3.960 -0.001 0.000 0.271 728 G C 0.545 175.615 174.900 0.283 0.000 1.302 728 G CA 0.145 45.460 45.100 0.359 0.000 1.002 728 G HN 0.577 nan 8.290 nan 0.000 0.519 729 T N -1.401 113.243 114.554 0.150 0.000 2.986 729 T HA 0.176 4.526 4.350 -0.001 0.000 0.264 729 T C 0.912 175.722 174.700 0.182 0.000 0.964 729 T CA -0.221 61.943 62.100 0.108 0.000 0.895 729 T CB 0.022 68.959 68.868 0.116 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 0.159 0.000 2.391 730 R HA 0.344 4.684 4.340 -0.001 0.000 0.310 730 R C -0.591 175.745 176.300 0.059 0.000 1.174 730 R CA -0.167 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 0.040 0.000 2.452 731 Y HA 0.237 4.787 4.550 -0.001 0.000 0.262 731 Y C 0.464 176.420 175.900 0.092 0.000 1.089 731 Y CA -0.069 58.075 58.100 0.073 0.000 1.262 731 Y CB 0.880 39.392 38.460 0.086 0.000 1.236 731 Y HN 0.244 nan 8.280 nan 0.000 0.512 732 L N 0.736 122.120 121.223 0.267 0.000 2.334 732 L HA 0.468 4.807 4.340 -0.001 0.000 0.275 732 L C 0.169 177.137 176.870 0.162 0.000 1.036 732 L CA -0.764 54.262 54.840 0.309 0.000 0.807 732 L CB 1.563 43.967 42.059 0.576 0.000 1.231 732 L HN 0.007 nan 8.230 nan 0.000 0.438 733 T N -0.228 114.425 114.554 0.166 0.000 2.794 733 T HA 0.573 4.923 4.350 -0.001 0.000 0.280 733 T C -0.413 174.219 174.700 -0.113 0.000 0.987 733 T CA -0.876 61.234 62.100 0.016 0.000 0.993 733 T CB 2.031 70.940 68.868 0.068 0.000 0.939 733 T HN 0.592 nan 8.240 nan 0.000 0.449 734 R N 2.085 122.398 120.500 -0.312 0.000 2.807 734 R HA 0.476 4.816 4.340 -0.001 0.000 0.276 734 R C -0.729 175.500 176.300 -0.118 0.000 0.979 734 R CA -0.677 55.188 56.100 -0.392 0.000 0.928 734 R CB 1.448 31.115 30.300 -1.056 0.000 1.191 734 R HN 0.713 nan 8.270 nan 0.000 0.471 735 N N 0.954 119.623 118.700 -0.052 0.000 2.374 735 N HA 0.344 5.084 4.740 -0.001 0.000 0.284 735 N C -0.219 175.322 175.510 0.052 0.000 1.280 735 N CA -0.268 52.796 53.050 0.024 0.000 0.963 735 N CB 0.326 38.821 38.487 0.013 0.000 1.141 735 N HN 0.361 nan 8.380 nan 0.000 0.565 736 L N 0.000 121.219 121.223 -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 41.953 42.059 -0.178 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502