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_D 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 1.708 124.547 122.820 0.033 0.000 2.476 218 A HA 0.808 5.127 4.320 -0.001 0.000 0.280 218 A C -1.073 176.530 177.584 0.032 0.000 1.081 218 A CA -0.539 51.520 52.037 0.038 0.000 0.753 218 A CB 1.564 20.583 19.000 0.032 0.000 1.248 218 A HN 0.515 nan 8.150 nan 0.000 0.424 219 D N 0.549 120.972 120.400 0.038 0.000 2.989 219 D HA 0.694 5.333 4.640 -0.001 0.000 0.284 219 D C 0.673 176.993 176.300 0.034 0.000 1.212 219 D CA 0.279 54.299 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 -0.217 44.900 45.100 0.028 0.000 1.041 220 G HN 0.203 nan 8.290 nan 0.000 0.560 221 V N 0.474 120.401 119.914 0.023 0.000 2.273 221 V HA 0.109 4.229 4.120 -0.001 0.000 0.242 221 V C 2.377 178.483 176.094 0.020 0.000 1.035 221 V CA 1.857 64.169 62.300 0.020 0.000 1.013 221 V CB -0.666 31.165 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 0.233 4.193 3.960 -0.001 0.000 0.272 222 G HA3 0.233 4.193 3.960 -0.001 0.000 0.272 222 G C -0.120 174.792 174.900 0.020 0.000 1.259 222 G CA 0.011 45.120 45.100 0.015 0.000 1.512 222 G HN 0.426 nan 8.290 nan 0.000 0.625 223 N N 0.148 118.864 118.700 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 1.338 39.841 38.487 0.027 0.000 1.414 223 N HN 0.067 nan 8.380 nan 0.000 0.529 224 S N 1.655 117.387 115.700 0.053 0.000 2.544 224 S HA 0.034 4.504 4.470 -0.001 0.000 0.290 224 S C 0.884 175.537 174.600 0.088 0.000 1.276 224 S CA -0.106 58.144 58.200 0.084 0.000 1.075 224 S CB 0.377 63.631 63.200 0.089 0.000 0.849 224 S HN 0.562 nan 8.310 nan 0.000 0.494 225 S N 1.739 117.519 115.700 0.134 0.000 2.743 225 S HA 0.541 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 0.294 109.100 108.800 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 -0.708 117.811 118.700 -0.303 0.000 2.471 227 N HA 0.427 5.166 4.740 -0.001 0.000 0.288 227 N C -0.779 174.730 175.510 -0.002 0.000 1.220 227 N CA -0.851 52.147 53.050 -0.087 0.000 0.893 227 N CB 1.997 40.385 38.487 -0.164 0.000 1.256 227 N HN 0.536 nan 8.380 nan 0.000 0.534 228 W N 2.788 124.024 121.300 -0.106 0.000 2.365 228 W HA 0.141 4.801 4.660 -0.001 0.000 0.371 228 W C -0.953 175.468 176.519 -0.162 0.000 1.006 228 W CA 0.003 57.341 57.345 -0.012 0.000 1.528 228 W CB -0.286 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 4.861 123.856 119.070 -0.125 0.000 2.787 229 H HA 0.181 4.736 4.556 -0.001 0.000 0.275 229 H C -0.190 175.022 175.328 -0.193 0.000 1.183 229 H CA -0.032 55.952 56.048 -0.105 0.000 1.290 229 H CB 1.090 30.778 29.762 -0.123 0.000 1.438 229 H HN 0.159 nan 8.280 nan 0.000 0.487 230 C N 4.471 123.775 119.300 0.006 0.000 2.547 230 C HA 0.354 4.813 4.460 -0.001 0.000 0.327 230 C C -0.889 174.145 174.990 0.074 0.000 1.076 230 C CA -0.358 58.661 59.018 0.002 0.000 1.390 230 C CB -0.412 27.345 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 5.282 4.640 -0.001 0.000 0.276 231 D C -1.276 175.017 176.300 -0.010 0.000 1.267 231 D CA 0.159 54.181 54.000 0.037 0.000 0.772 231 D CB 2.111 42.947 40.800 0.059 0.000 1.299 231 D HN 0.627 nan 8.370 nan 0.000 0.421 232 S N 0.815 116.505 115.700 -0.015 0.000 2.603 232 S HA 0.725 5.195 4.470 -0.001 0.000 0.274 232 S C -1.461 173.104 174.600 -0.059 0.000 1.168 232 S CA -0.851 57.289 58.200 -0.100 0.000 0.963 232 S CB 1.721 64.807 63.200 -0.190 0.000 1.078 232 S HN 0.461 nan 8.310 nan 0.000 0.477 233 Q N 1.410 121.148 119.800 -0.104 0.000 2.458 233 Q HA 0.808 5.148 4.340 -0.001 0.000 0.282 233 Q C -1.675 174.266 176.000 -0.098 0.000 1.106 233 Q CA -0.592 55.224 55.803 0.022 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 0.339 121.659 121.300 0.033 0.000 2.639 234 W HA 0.573 5.232 4.660 -0.001 0.000 0.347 234 W C -0.011 176.529 176.519 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 2.769 124.149 121.223 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 55.841 54.840 0.163 0.000 0.977 235 L CB -0.745 41.377 42.059 0.106 0.000 1.313 235 L HN 1.013 nan 8.230 nan 0.000 0.549 236 G N 1.076 110.006 108.800 0.216 0.000 2.480 236 G HA2 -0.446 3.513 3.960 -0.001 0.000 0.246 236 G HA3 -0.446 3.513 3.960 -0.001 0.000 0.246 236 G C 0.989 175.972 174.900 0.139 0.000 1.073 236 G CA 1.121 46.309 45.100 0.147 0.000 0.643 236 G HN 0.384 nan 8.290 nan 0.000 0.525 237 D N 0.351 120.833 120.400 0.138 0.000 2.388 237 D HA 0.190 4.829 4.640 -0.001 0.000 0.208 237 D C 1.229 177.633 176.300 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 -1.744 118.868 120.500 0.186 0.000 2.741 238 R HA 0.567 4.907 4.340 -0.001 0.000 0.276 238 R C -2.037 174.351 176.300 0.146 0.000 1.028 238 R CA -0.979 55.235 56.100 0.190 0.000 0.865 238 R CB 1.075 31.457 30.300 0.136 0.000 1.268 238 R HN -0.128 nan 8.270 nan 0.000 0.475 239 V N 1.633 121.600 119.914 0.087 0.000 2.686 239 V HA 0.565 4.684 4.120 -0.001 0.000 0.306 239 V C -1.574 174.489 176.094 -0.052 0.000 1.065 239 V CA -0.878 61.322 62.300 -0.166 0.000 0.894 239 V CB 1.954 33.354 31.823 -0.705 0.000 1.004 239 V HN 0.673 nan 8.190 nan 0.000 0.424 240 I N 5.597 126.083 120.570 -0.140 0.000 2.339 240 I HA 0.505 4.675 4.170 -0.001 0.000 0.290 240 I C 0.443 176.479 176.117 -0.135 0.000 0.994 240 I CA 0.072 61.334 61.300 -0.064 0.000 1.191 240 I CB 2.053 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 1.454 115.971 114.554 -0.061 0.000 2.756 241 T HA 0.597 4.946 4.350 -0.001 0.000 0.290 241 T C -0.070 174.600 174.700 -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 -0.251 0.000 0.930 241 T HN 0.474 nan 8.240 nan 0.000 0.451 242 T N 2.893 117.412 114.554 -0.059 0.000 2.794 242 T HA 0.637 4.987 4.350 -0.001 0.000 0.280 242 T C -0.301 174.374 174.700 -0.043 0.000 0.987 242 T CA -0.738 61.335 62.100 -0.045 0.000 0.993 242 T CB 1.450 70.297 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 5.154 4.470 -0.001 0.000 0.284 243 S C -0.935 173.546 174.600 -0.199 0.000 1.128 243 S CA -0.537 57.606 58.200 -0.096 0.000 0.970 243 S CB 1.206 64.383 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 -0.366 0.000 2.881 244 T HA 0.665 5.015 4.350 -0.001 0.000 0.290 244 T C -0.957 173.362 174.700 -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 1.230 121.565 120.500 -0.276 0.000 2.836 245 R HA 0.637 4.977 4.340 -0.001 0.000 0.269 245 R C -0.817 175.617 176.300 0.223 0.000 1.010 245 R CA -0.816 55.352 56.100 0.112 0.000 0.930 245 R CB 1.679 32.189 30.300 0.349 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 0.513 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 -0.623 61.517 62.100 0.067 0.000 1.035 246 T CB 0.659 69.560 68.868 0.055 0.000 0.932 246 T HN 0.455 nan 8.240 nan 0.000 0.469 247 W N 0.671 121.813 121.300 -0.264 0.000 2.799 247 W HA 0.836 5.495 4.660 -0.001 0.000 0.349 247 W C -1.302 174.994 176.519 -0.371 0.000 1.100 247 W CA -1.716 55.196 57.345 -0.722 0.000 1.174 247 W CB 1.390 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 2.739 125.546 122.820 -0.022 0.000 2.414 248 A HA 0.761 5.081 4.320 -0.001 0.000 0.306 248 A C -2.199 175.506 177.584 0.202 0.000 1.054 248 A CA -0.759 51.341 52.037 0.106 0.000 0.724 248 A CB 1.979 20.963 19.000 -0.027 0.000 1.267 248 A HN 0.675 nan 8.150 nan 0.000 0.418 249 L N 3.675 125.069 121.223 0.286 0.000 2.404 249 L HA 0.690 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 2.125 44.275 42.059 0.152 0.000 1.238 249 L HN 0.443 nan 8.230 nan 0.000 0.408 250 P HA 0.376 nan 4.420 nan 0.000 0.293 250 P C -1.050 176.093 177.300 -0.262 0.000 1.304 250 P CA -0.421 62.539 63.100 -0.233 0.000 0.767 250 P CB 0.542 31.933 31.700 -0.515 0.000 1.247 251 T N 0.612 114.999 114.554 -0.279 0.000 2.762 251 T HA 0.321 4.670 4.350 -0.001 0.000 0.303 251 T C -0.362 174.131 174.700 -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 67.806 68.868 -0.359 0.000 0.944 251 T HN 0.126 nan 8.240 nan 0.000 0.481 252 Y N 2.086 122.281 120.300 -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 -0.212 57.813 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 -0.365 175.137 175.510 -0.012 0.000 1.155 253 N CA 0.770 53.846 53.050 0.042 0.000 0.747 253 N CB -0.598 37.919 38.487 0.051 0.000 1.132 253 N HN 0.766 nan 8.380 nan 0.000 0.564 254 N N 0.172 118.810 118.700 -0.104 0.000 2.714 254 N HA -0.208 4.532 4.740 -0.001 0.000 0.253 254 N C -0.558 174.899 175.510 -0.089 0.000 1.024 254 N CA 2.033 55.001 53.050 -0.137 0.000 0.726 254 N CB -1.745 36.753 38.487 0.018 0.000 0.908 254 N HN 0.721 nan 8.380 nan 0.000 0.542 255 H N -2.730 116.295 119.070 -0.076 0.000 2.861 255 H HA -0.202 4.353 4.556 -0.001 0.000 0.289 255 H C -0.160 175.143 175.328 -0.042 0.000 1.176 255 H CA 1.212 57.165 56.048 -0.159 0.000 1.146 255 H CB -1.139 28.388 29.762 -0.392 0.000 1.330 255 H HN 0.352 nan 8.280 nan 0.000 0.379 256 L N 0.135 121.401 121.223 0.072 0.000 2.401 256 L HA 0.452 4.791 4.340 -0.001 0.000 0.266 256 L C -0.242 176.689 176.870 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 43.569 42.059 0.174 0.000 1.321 256 L HN 0.021 nan 8.230 nan 0.000 0.413 257 Y N 2.077 122.529 120.300 0.254 0.000 2.336 257 Y HA 0.324 4.873 4.550 -0.001 0.000 0.335 257 Y C 0.030 176.087 175.900 0.262 0.000 1.046 257 Y CA -0.164 58.123 58.100 0.312 0.000 1.198 257 Y CB 1.017 39.730 38.460 0.422 0.000 1.182 257 Y HN 0.284 nan 8.280 nan 0.000 0.502 258 K N 2.873 123.483 120.400 0.351 0.000 2.270 258 K HA 0.224 4.544 4.320 -0.001 0.000 0.255 258 K C -0.819 175.871 176.600 0.151 0.000 0.936 258 K CA -1.059 55.354 56.287 0.210 0.000 0.809 258 K CB 1.965 34.531 32.500 0.110 0.000 1.131 258 K HN 0.597 nan 8.250 nan 0.000 0.427 259 Q N 5.114 124.923 119.800 0.015 0.000 2.307 259 Q HA 0.194 4.534 4.340 -0.001 0.000 0.261 259 Q C -0.526 175.223 176.000 -0.418 0.000 1.051 259 Q CA -0.333 55.228 55.803 -0.404 0.000 0.911 259 Q CB 0.199 28.743 28.738 -0.324 0.000 1.227 259 Q HN 0.581 nan 8.270 nan 0.000 0.418 260 I N 1.029 121.258 120.570 -0.568 0.000 2.707 260 I HA 0.793 4.962 4.170 -0.001 0.000 0.309 260 I C -0.507 175.251 176.117 -0.598 0.000 1.001 260 I CA -0.727 60.343 61.300 -0.383 0.000 1.129 260 I CB 2.080 39.987 38.000 -0.156 0.000 1.308 260 I HN 0.693 nan 8.210 nan 0.000 0.466 261 S N 1.866 117.256 115.700 -0.517 0.000 2.661 261 S HA 0.469 4.939 4.470 -0.001 0.000 0.268 261 S C -0.559 173.498 174.600 -0.905 0.000 1.162 261 S CA -0.592 57.147 58.200 -0.768 0.000 0.817 261 S CB 0.876 63.937 63.200 -0.231 0.000 1.141 261 S HN 0.994 nan 8.310 nan 0.000 0.477 262 S N 1.148 116.365 115.700 -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 -0.032 0.000 1.339 262 S CA -0.552 57.508 58.200 -0.233 0.000 1.039 262 S CB 0.290 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 1.462 121.282 119.800 0.035 0.000 2.349 263 Q HA 0.054 4.394 4.340 -0.001 0.000 0.287 263 Q C -0.356 175.670 176.000 0.042 0.000 1.044 263 Q CA 0.382 56.199 55.803 0.024 0.000 0.918 263 Q CB 0.547 29.296 28.738 0.018 0.000 1.242 263 Q HN 0.827 nan 8.270 nan 0.000 0.405 264 S N 2.503 118.223 115.700 0.033 0.000 2.711 264 S HA 0.211 4.681 4.470 -0.001 0.000 0.335 264 S C 0.681 175.310 174.600 0.049 0.000 1.175 264 S CA 0.422 58.649 58.200 0.045 0.000 1.372 264 S CB -0.741 62.471 63.200 0.020 0.000 1.337 264 S HN 0.812 nan 8.310 nan 0.000 0.572 265 G N 2.022 110.876 108.800 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 0.466 175.370 174.900 0.007 0.000 1.077 265 G CA -0.021 45.118 45.100 0.065 0.000 1.098 265 G HN 0.958 nan 8.290 nan 0.000 0.511 266 A N -1.076 121.723 122.820 -0.035 0.000 2.127 266 A HA 0.817 5.137 4.320 -0.001 0.000 0.204 266 A C 1.085 178.601 177.584 -0.112 0.000 1.243 266 A CA 1.603 53.604 52.037 -0.060 0.000 0.887 266 A CB 0.834 19.808 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 0.334 4.803 4.470 -0.001 0.000 0.272 267 S C 0.026 174.369 174.600 -0.429 0.000 1.150 267 S CA -0.393 57.657 58.200 -0.250 0.000 0.849 267 S CB 1.259 64.329 63.200 -0.218 0.000 1.113 267 S HN 0.406 nan 8.310 nan 0.000 0.458 268 N N 0.668 119.244 118.700 -0.207 0.000 2.571 268 N HA 0.034 4.773 4.740 -0.001 0.000 0.195 268 N C 0.017 175.569 175.510 0.069 0.000 1.040 268 N CA 0.203 53.242 53.050 -0.018 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 0.649 121.057 120.400 0.013 0.000 2.363 269 D HA 0.030 4.670 4.640 -0.001 0.000 0.226 269 D C -0.019 176.294 176.300 0.021 0.000 1.020 269 D CA 0.631 54.669 54.000 0.064 0.000 0.892 269 D CB -0.199 40.658 40.800 0.094 0.000 0.900 269 D HN 0.408 nan 8.370 nan 0.000 0.531 270 N N -0.603 118.067 118.700 -0.049 0.000 2.200 270 N HA 0.006 4.745 4.740 -0.001 0.000 0.224 270 N C 0.041 175.595 175.510 0.074 0.000 1.179 270 N CA -0.354 52.675 53.050 -0.036 0.000 0.877 270 N CB 0.733 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 -0.422 175.080 175.328 0.291 0.000 1.092 271 H CA 0.678 56.834 56.048 0.179 0.000 1.420 271 H CB 0.366 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 0.547 120.971 120.300 0.206 0.000 2.702 272 Y HA 0.472 5.021 4.550 -0.001 0.000 0.336 272 Y C -2.270 173.745 175.900 0.193 0.000 1.203 272 Y CA -1.377 56.814 58.100 0.151 0.000 1.072 272 Y CB 1.306 39.810 38.460 0.073 0.000 1.327 272 Y HN 0.403 nan 8.280 nan 0.000 0.456 273 F N 1.279 121.198 119.950 -0.052 0.000 2.588 273 F HA 0.833 5.360 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 0.036 57.916 58.000 -0.199 0.000 0.961 273 F CB 1.968 40.875 39.000 -0.156 0.000 1.239 273 F HN 1.087 nan 8.300 nan 0.000 0.448 274 G N 2.933 111.226 108.800 -0.846 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 -2.406 171.861 174.900 -1.055 0.000 1.223 274 G CA -0.580 44.136 45.100 -0.639 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 -0.611 0.000 2.588 275 Y HA 0.728 5.278 4.550 -0.001 0.000 0.343 275 Y C 0.094 175.842 175.900 -0.253 0.000 1.065 275 Y CA -0.795 57.074 58.100 -0.384 0.000 1.038 275 Y CB 2.604 40.947 38.460 -0.195 0.000 1.297 275 Y HN 0.538 nan 8.280 nan 0.000 0.467 276 S N 1.302 117.077 115.700 0.126 0.000 2.456 276 S HA 0.573 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 57.728 58.200 0.112 0.000 1.101 276 S CB 0.200 63.433 63.200 0.056 0.000 0.995 276 S HN 0.701 nan 8.310 nan 0.000 0.468 277 T N 2.732 117.420 114.554 0.223 0.000 2.902 277 T HA 0.564 4.913 4.350 -0.001 0.000 0.283 277 T C -2.424 172.288 174.700 0.021 0.000 1.009 277 T CA -2.080 60.094 62.100 0.124 0.000 1.051 277 T CB 1.375 70.554 68.868 0.517 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 -0.690 176.570 177.300 -0.068 0.000 1.197 278 P CA 0.042 63.072 63.100 -0.117 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 1.073 177.571 176.519 -0.035 0.000 1.160 279 W CA -0.046 57.297 57.345 -0.004 0.000 1.266 279 W CB 0.689 30.139 29.460 -0.017 0.000 1.195 279 W HN -0.190 nan 8.180 nan 0.000 0.599 280 G N 0.565 109.460 108.800 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 -1.970 172.930 174.900 -0.001 0.000 1.315 280 G CA -0.710 44.365 45.100 -0.043 0.000 1.045 280 G HN 0.574 nan 8.290 nan 0.000 0.517 281 Y N -2.928 117.224 120.300 -0.247 0.000 2.624 281 Y HA 0.733 5.282 4.550 -0.001 0.000 0.334 281 Y C -1.790 173.917 175.900 -0.322 0.000 1.155 281 Y CA -2.188 55.755 58.100 -0.262 0.000 1.046 281 Y CB 1.064 39.410 38.460 -0.190 0.000 1.316 281 Y HN 0.395 nan 8.280 nan 0.000 0.457 282 F N 1.546 121.548 119.950 0.087 0.000 2.422 282 F HA 0.567 5.093 4.527 -0.001 0.000 0.333 282 F C -0.267 175.635 175.800 0.168 0.000 1.095 282 F CA -0.079 58.010 58.000 0.149 0.000 1.038 282 F CB 1.698 40.864 39.000 0.276 0.000 1.156 282 F HN 0.636 nan 8.300 nan 0.000 0.483 283 D N 1.708 122.300 120.400 0.321 0.000 2.753 283 D HA 0.446 5.086 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 1.291 42.143 40.800 0.086 0.000 1.607 283 D HN 0.289 nan 8.370 nan 0.000 0.463 284 F N 0.608 120.658 119.950 0.167 0.000 2.656 284 F HA 0.386 4.912 4.527 -0.001 0.000 0.363 284 F C 0.301 176.150 175.800 0.082 0.000 1.313 284 F CA -0.813 57.248 58.000 0.103 0.000 1.089 284 F CB -0.974 38.179 39.000 0.254 0.000 1.247 284 F HN 0.279 nan 8.300 nan 0.000 0.509 285 N N 1.837 120.369 118.700 -0.280 0.000 2.581 285 N HA 0.133 4.873 4.740 -0.001 0.000 0.230 285 N C -0.383 174.923 175.510 -0.340 0.000 1.310 285 N CA 0.011 52.700 53.050 -0.602 0.000 0.886 285 N CB 0.183 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 -0.410 119.967 120.500 -0.206 0.000 2.628 286 R HA 0.193 4.532 4.340 -0.001 0.000 0.288 286 R C 0.015 176.189 176.300 -0.210 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 0.129 nan 8.270 nan 0.000 0.450 287 F N 1.014 120.960 119.950 -0.007 0.000 2.216 287 F HA -0.183 4.343 4.527 -0.001 0.000 0.300 287 F C 2.315 178.154 175.800 0.065 0.000 1.085 287 F CA 1.696 59.784 58.000 0.146 0.000 1.326 287 F CB -0.071 38.837 39.000 -0.154 0.000 1.027 287 F HN 0.721 nan 8.300 nan 0.000 0.497 288 H N -2.794 116.341 119.070 0.109 0.000 2.561 288 H HA -0.039 4.517 4.556 -0.001 0.000 0.278 288 H C 1.752 177.093 175.328 0.021 0.000 1.014 288 H CA 0.574 56.647 56.048 0.041 0.000 1.211 288 H CB -1.414 28.348 29.762 -0.000 0.000 1.365 288 H HN 0.247 nan 8.280 nan 0.000 0.594 289 C N 0.668 119.826 119.300 -0.237 0.000 2.432 289 C HA -0.033 4.426 4.460 -0.001 0.000 0.280 289 C C 1.848 176.605 174.990 -0.387 0.000 1.353 289 C CA 1.012 59.817 59.018 -0.355 0.000 1.766 289 C CB -0.612 26.753 27.740 -0.625 0.000 1.924 289 C HN 0.799 nan 8.230 nan 0.000 0.509 290 H N -2.789 116.400 119.070 0.199 0.000 2.521 290 H HA 0.244 4.799 4.556 -0.001 0.000 0.267 290 H C 0.127 175.416 175.328 -0.066 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 2.892 122.979 119.950 0.229 0.000 2.394 291 F HA 0.262 4.788 4.527 -0.001 0.000 0.340 291 F C 1.141 177.016 175.800 0.125 0.000 1.105 291 F CA -0.857 57.242 58.000 0.165 0.000 1.124 291 F CB 1.207 40.363 39.000 0.260 0.000 1.145 291 F HN -0.038 nan 8.300 nan 0.000 0.505 292 S N 2.733 118.598 115.700 0.274 0.000 2.632 292 S HA 0.369 4.839 4.470 -0.001 0.000 0.267 292 S C -2.023 172.681 174.600 0.173 0.000 1.276 292 S CA -1.168 57.145 58.200 0.189 0.000 0.998 292 S CB 1.508 64.799 63.200 0.152 0.000 0.953 292 S HN 0.344 nan 8.310 nan 0.000 0.547 293 P HA -0.174 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 1.307 64.311 63.100 -0.160 0.000 0.880 293 P CB -0.032 31.488 31.700 -0.300 0.000 0.791 294 R N 0.342 120.884 120.500 0.070 0.000 2.070 294 R HA -0.143 4.196 4.340 -0.001 0.000 0.233 294 R C 1.835 178.224 176.300 0.149 0.000 1.137 294 R CA 2.058 58.216 56.100 0.097 0.000 0.945 294 R CB -1.664 28.703 30.300 0.111 0.000 0.845 294 R HN 0.096 nan 8.270 nan 0.000 0.430 295 D N -0.352 120.209 120.400 0.268 0.000 2.116 295 D HA -0.257 4.383 4.640 -0.001 0.000 0.193 295 D C 1.689 178.233 176.300 0.406 0.000 0.998 295 D CA 1.323 55.605 54.000 0.470 0.000 0.836 295 D CB -0.651 40.476 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 0.083 0.000 2.325 296 W HA -0.234 4.426 4.660 -0.001 0.000 0.299 296 W C 2.221 178.611 176.519 -0.214 0.000 1.215 296 W CA 1.417 58.663 57.345 -0.164 0.000 1.244 296 W CB -0.088 29.226 29.460 -0.244 0.000 1.140 296 W HN 0.119 nan 8.180 nan 0.000 0.523 297 Q N 0.341 120.109 119.800 -0.053 0.000 2.020 297 Q HA -0.235 4.105 4.340 -0.001 0.000 0.202 297 Q C 2.433 178.305 176.000 -0.213 0.000 0.982 297 Q CA 2.157 57.863 55.803 -0.161 0.000 0.838 297 Q CB -0.277 28.439 28.738 -0.036 0.000 0.899 297 Q HN 0.220 nan 8.270 nan 0.000 0.423 298 R N 0.359 120.750 120.500 -0.181 0.000 2.094 298 R HA -0.190 4.150 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 1.700 57.602 56.100 -0.330 0.000 0.943 298 R CB -0.796 29.160 30.300 -0.574 0.000 0.850 298 R HN 0.355 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 -0.257 4.083 4.340 -0.001 0.000 0.215 299 L C 2.236 178.886 176.870 -0.365 0.000 1.072 299 L CA 1.532 56.231 54.840 -0.235 0.000 0.758 299 L CB -0.286 41.500 42.059 -0.455 0.000 0.889 299 L HN 0.186 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 -0.302 3.867 4.170 -0.001 0.000 0.243 300 I C 1.946 177.937 176.117 -0.211 0.000 1.085 300 I CA 1.524 62.553 61.300 -0.452 0.000 1.347 300 I CB -1.650 35.990 38.000 -0.600 0.000 1.044 300 I HN 0.448 nan 8.210 nan 0.000 0.408 301 N N 1.029 119.596 118.700 -0.222 0.000 2.521 301 N HA -0.057 4.683 4.740 -0.001 0.000 0.188 301 N C 1.070 176.536 175.510 -0.073 0.000 1.146 301 N CA 0.449 53.429 53.050 -0.117 0.000 0.893 301 N CB -0.075 38.333 38.487 -0.132 0.000 0.975 301 N HN 0.468 nan 8.380 nan 0.000 0.451 302 N N -0.280 118.363 118.700 -0.094 0.000 2.266 302 N HA 0.090 4.829 4.740 -0.001 0.000 0.217 302 N C -0.617 174.856 175.510 -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 39.169 38.487 -0.173 0.000 1.153 302 N HN 0.150 nan 8.380 nan 0.000 0.489 303 N N -0.147 118.573 118.700 0.033 0.000 2.342 303 N HA 0.141 4.880 4.740 -0.001 0.000 0.293 303 N C 0.335 176.060 175.510 0.358 0.000 1.026 303 N CA -0.442 52.685 53.050 0.130 0.000 0.857 303 N CB 1.770 40.359 38.487 0.171 0.000 1.256 303 N HN 0.143 nan 8.380 nan 0.000 0.484 304 W N 1.916 123.237 121.300 0.034 0.000 2.321 304 W HA -0.127 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 0.268 57.631 57.345 0.030 0.000 1.257 304 W CB 0.343 29.733 29.460 -0.117 0.000 1.145 304 W HN 0.591 nan 8.180 nan 0.000 0.509 305 G N -1.860 107.196 108.800 0.425 0.000 2.550 305 G HA2 0.468 4.427 3.960 -0.001 0.000 0.293 305 G HA3 0.468 4.427 3.960 -0.001 0.000 0.293 305 G C -1.821 173.535 174.900 0.759 0.000 1.402 305 G CA -0.658 44.732 45.100 0.484 0.000 0.784 305 G HN 0.088 nan 8.290 nan 0.000 0.482 306 F N -1.314 119.078 119.950 0.737 0.000 2.779 306 F HA 0.945 5.472 4.527 -0.001 0.000 0.316 306 F C -0.759 175.288 175.800 0.412 0.000 1.164 306 F CA -1.368 57.008 58.000 0.626 0.000 0.924 306 F CB 1.651 40.881 39.000 0.383 0.000 1.348 306 F HN 0.928 nan 8.300 nan 0.000 0.467 307 R N -0.356 120.345 120.500 0.336 0.000 2.712 307 R HA 0.689 5.028 4.340 -0.001 0.000 0.272 307 R C -3.635 172.588 176.300 -0.128 0.000 1.032 307 R CA -1.934 54.020 56.100 -0.244 0.000 0.874 307 R CB 1.601 31.420 30.300 -0.802 0.000 1.256 307 R HN 0.374 nan 8.270 nan 0.000 0.468 308 P HA 0.314 nan 4.420 nan 0.000 0.278 308 P C -0.731 176.071 177.300 -0.831 0.000 1.238 308 P CA -0.580 61.759 63.100 -1.270 0.000 0.794 308 P CB 1.154 31.524 31.700 -2.216 0.000 0.955 309 K N 0.997 121.085 120.400 -0.521 0.000 2.537 309 K HA 0.281 4.600 4.320 -0.001 0.000 0.216 309 K C 0.401 177.034 176.600 0.054 0.000 1.349 309 K CA 0.755 56.943 56.287 -0.164 0.000 0.841 309 K CB 0.212 32.618 32.500 -0.157 0.000 1.659 309 K HN 0.348 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 -1.224 175.366 176.600 -0.017 0.000 1.058 310 K CA -0.947 55.301 56.287 -0.064 0.000 0.871 310 K CB 1.712 34.137 32.500 -0.125 0.000 1.292 310 K HN -0.086 nan 8.250 nan 0.000 0.470 311 L N -0.355 120.821 121.223 -0.079 0.000 2.513 311 L HA 0.406 4.746 4.340 -0.001 0.000 0.261 311 L C -1.791 175.035 176.870 -0.073 0.000 0.945 311 L CA 0.007 54.829 54.840 -0.030 0.000 0.848 311 L CB 2.480 44.566 42.059 0.045 0.000 1.334 311 L HN 0.513 nan 8.230 nan 0.000 0.407 312 S N 4.372 120.050 115.700 -0.038 0.000 2.779 312 S HA 0.573 5.043 4.470 -0.001 0.000 0.293 312 S C -1.284 173.351 174.600 0.060 0.000 1.150 312 S CA -0.259 57.919 58.200 -0.037 0.000 1.057 312 S CB 0.738 63.878 63.200 -0.100 0.000 1.021 312 S HN 0.473 nan 8.310 nan 0.000 0.485 313 F N 3.668 123.629 119.950 0.020 0.000 2.436 313 F HA 0.660 5.187 4.527 -0.001 0.000 0.340 313 F C -0.139 175.722 175.800 0.102 0.000 1.113 313 F CA -0.403 57.655 58.000 0.097 0.000 1.022 313 F CB 0.818 39.992 39.000 0.290 0.000 1.128 313 F HN 0.385 nan 8.300 nan 0.000 0.466 314 K N 7.230 127.357 120.400 -0.455 0.000 2.513 314 K HA 0.557 4.877 4.320 -0.001 0.000 0.251 314 K C -2.115 174.423 176.600 -0.103 0.000 0.939 314 K CA -0.619 55.592 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 6.051 127.383 121.223 0.181 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 0.941 43.102 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 0.398 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 -1.441 56.648 58.000 0.148 0.000 0.910 316 F CB 1.083 40.136 39.000 0.087 0.000 1.411 316 F HN 0.459 nan 8.300 nan 0.000 0.492 317 N N 0.346 119.213 118.700 0.279 0.000 2.716 317 N HA -0.210 4.529 4.740 -0.001 0.000 0.250 317 N C -0.967 174.541 175.510 -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 1.004 121.615 120.570 0.069 0.000 2.588 318 I HA 0.013 4.182 4.170 -0.001 0.000 0.283 318 I C 0.520 176.635 176.117 -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 0.144 nan 8.210 nan 0.000 0.562 319 Q N 5.438 125.194 119.800 -0.073 0.000 2.305 319 Q HA 0.511 4.850 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 3.128 31.789 28.738 -0.128 0.000 1.286 319 Q HN 0.384 nan 8.270 nan 0.000 0.435 320 V N 3.367 123.210 119.914 -0.118 0.000 2.311 320 V HA 0.292 4.412 4.120 -0.001 0.000 0.275 320 V C -0.390 175.554 176.094 -0.251 0.000 1.022 320 V CA -0.706 61.493 62.300 -0.168 0.000 0.830 320 V CB 0.888 32.662 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 0.496 4.816 4.320 -0.001 0.000 0.274 321 K C -0.117 176.233 176.600 -0.415 0.000 1.009 321 K CA -0.492 55.489 56.287 -0.511 0.000 0.888 321 K CB 2.199 34.257 32.500 -0.736 0.000 1.078 321 K HN 0.861 nan 8.250 nan 0.000 0.459 322 E N 0.521 120.632 120.200 -0.148 0.000 2.166 322 E HA 0.421 4.771 4.350 -0.001 0.000 0.275 322 E C -0.753 175.879 176.600 0.052 0.000 0.941 322 E CA -0.995 55.393 56.400 -0.020 0.000 0.784 322 E CB 1.872 31.571 29.700 -0.002 0.000 1.115 322 E HN 0.122 nan 8.360 nan 0.000 0.399 323 V N 2.761 122.743 119.914 0.115 0.000 2.630 323 V HA 0.751 4.870 4.120 -0.001 0.000 0.305 323 V C -0.908 175.229 176.094 0.071 0.000 1.046 323 V CA -0.016 62.351 62.300 0.112 0.000 0.934 323 V CB 1.925 33.835 31.823 0.145 0.000 1.003 323 V HN 1.001 nan 8.190 nan 0.000 0.451 324 T N 3.066 117.651 114.554 0.052 0.000 2.879 324 T HA 0.588 4.937 4.350 -0.001 0.000 0.290 324 T C -0.947 173.770 174.700 0.028 0.000 0.993 324 T CA -0.733 61.390 62.100 0.039 0.000 0.975 324 T CB 1.575 70.463 68.868 0.034 0.000 0.981 324 T HN 0.583 nan 8.240 nan 0.000 0.439 325 Q N 3.133 122.946 119.800 0.022 0.000 2.441 325 Q HA 0.405 4.745 4.340 -0.001 0.000 0.234 325 Q C 0.841 176.848 176.000 0.012 0.000 1.078 325 Q CA -0.507 55.304 55.803 0.014 0.000 0.907 325 Q CB 0.622 29.365 28.738 0.009 0.000 1.269 325 Q HN 0.547 nan 8.270 nan 0.000 0.502 326 N N 1.382 120.088 118.700 0.011 0.000 2.124 326 N HA -0.068 4.671 4.740 -0.001 0.000 0.189 326 N C 0.123 175.637 175.510 0.006 0.000 1.050 326 N CA 1.215 54.270 53.050 0.009 0.000 0.848 326 N CB 0.353 38.846 38.487 0.009 0.000 1.027 326 N HN 0.451 nan 8.380 nan 0.000 0.435 327 D N -1.368 119.034 120.400 0.004 0.000 3.013 327 D HA 0.206 4.845 4.640 -0.001 0.000 0.256 327 D C 1.020 177.320 176.300 0.001 0.000 1.573 327 D CA 0.611 54.612 54.000 0.002 0.000 1.197 327 D CB -0.373 40.428 40.800 0.002 0.000 1.041 327 D HN 0.275 nan 8.370 nan 0.000 0.304 328 G N -0.091 108.709 108.800 -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 -0.295 174.604 174.900 -0.002 0.000 1.016 328 G CA 0.057 45.156 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 4.853 4.350 -0.001 0.000 0.291 329 T C -0.151 174.551 174.700 0.004 0.000 0.990 329 T CA -0.293 61.807 62.100 0.001 0.000 0.976 329 T CB 1.089 69.958 68.868 0.002 0.000 0.970 329 T HN 0.108 nan 8.240 nan 0.000 0.438 330 T N 2.748 117.303 114.554 0.003 0.000 2.723 330 T HA 0.511 4.860 4.350 -0.001 0.000 0.297 330 T C 0.477 175.186 174.700 0.015 0.000 0.925 330 T CA -0.774 61.331 62.100 0.008 0.000 1.030 330 T CB 0.220 69.088 68.868 0.000 0.000 0.905 330 T HN 0.728 nan 8.240 nan 0.000 0.502 331 T N 1.903 116.470 114.554 0.022 0.000 2.795 331 T HA 0.691 5.041 4.350 -0.001 0.000 0.282 331 T C -0.062 174.663 174.700 0.042 0.000 0.980 331 T CA -0.957 61.158 62.100 0.026 0.000 1.012 331 T CB 0.574 69.454 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 0.732 4.901 4.170 -0.001 0.000 0.292 332 I C 0.220 176.358 176.117 0.034 0.000 1.001 332 I CA -1.044 60.298 61.300 0.071 0.000 1.119 332 I CB 1.677 39.753 38.000 0.126 0.000 1.289 332 I HN 0.954 nan 8.210 nan 0.000 0.438 333 A N 5.122 127.950 122.820 0.012 0.000 2.525 333 A HA 0.665 4.984 4.320 -0.001 0.000 0.291 333 A C -1.221 176.337 177.584 -0.042 0.000 1.268 333 A CA -0.782 51.249 52.037 -0.010 0.000 0.712 333 A CB 1.385 20.384 19.000 -0.002 0.000 1.320 333 A HN 0.620 nan 8.150 nan 0.000 0.456 334 N N 2.010 120.687 118.700 -0.038 0.000 2.422 334 N HA 0.254 4.993 4.740 -0.001 0.000 0.266 334 N C -1.267 174.219 175.510 -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 39.710 38.487 -0.039 0.000 1.115 334 N HN 0.564 nan 8.380 nan 0.000 0.492 335 N N 3.803 122.472 118.700 -0.052 0.000 2.955 335 N HA 0.200 4.940 4.740 -0.001 0.000 0.242 335 N C 1.050 176.544 175.510 -0.028 0.000 1.123 335 N CA -0.267 52.763 53.050 -0.032 0.000 0.949 335 N CB 0.162 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 0.540 121.753 121.223 -0.018 0.000 2.046 336 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 336 L C 2.001 178.870 176.870 -0.002 0.000 1.077 336 L CA 1.531 56.365 54.840 -0.010 0.000 0.747 336 L CB -0.755 41.301 42.059 -0.005 0.000 0.896 336 L HN 0.505 nan 8.230 nan 0.000 0.432 337 T N -3.967 110.587 114.554 -0.001 0.000 3.227 337 T HA -0.010 4.339 4.350 -0.001 0.000 0.257 337 T C 0.816 175.517 174.700 0.002 0.000 1.162 337 T CA 0.016 62.118 62.100 0.003 0.000 1.051 337 T CB -0.102 68.769 68.868 0.004 0.000 0.953 337 T HN 0.118 nan 8.240 nan 0.000 0.535 338 S N 1.594 117.292 115.700 -0.003 0.000 2.616 338 S HA 0.600 5.070 4.470 -0.001 0.000 0.277 338 S C 0.234 174.836 174.600 0.003 0.000 1.234 338 S CA -0.572 57.624 58.200 -0.006 0.000 1.028 338 S CB 1.070 64.260 63.200 -0.016 0.000 0.988 338 S HN 0.715 nan 8.310 nan 0.000 0.522 339 T N 0.044 114.599 114.554 0.002 0.000 2.926 339 T HA 0.776 5.125 4.350 -0.001 0.000 0.289 339 T C -0.583 174.126 174.700 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 0.192 120.129 119.914 0.039 0.000 3.040 340 V HA 0.593 4.712 4.120 -0.001 0.000 0.312 340 V C -1.647 174.471 176.094 0.039 0.000 1.115 340 V CA -0.828 61.489 62.300 0.027 0.000 0.998 340 V CB 2.266 34.135 31.823 0.077 0.000 1.042 340 V HN 1.059 nan 8.190 nan 0.000 0.433 341 Q N 3.235 123.043 119.800 0.013 0.000 2.330 341 Q HA 0.736 5.075 4.340 -0.001 0.000 0.269 341 Q C -1.566 174.567 176.000 0.223 0.000 1.022 341 Q CA -0.644 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 0.565 nan 8.270 nan 0.000 0.450 342 V N 2.989 122.999 119.914 0.159 0.000 2.823 342 V HA 0.756 4.876 4.120 -0.001 0.000 0.312 342 V C -0.771 175.352 176.094 0.047 0.000 1.072 342 V CA -0.900 61.368 62.300 -0.055 0.000 0.937 342 V CB 1.400 32.864 31.823 -0.598 0.000 1.013 342 V HN 0.778 nan 8.190 nan 0.000 0.430 343 F N 0.309 120.094 119.950 -0.274 0.000 2.703 343 F HA 0.727 5.254 4.527 -0.001 0.000 0.308 343 F C -0.903 174.683 175.800 -0.356 0.000 1.126 343 F CA -0.628 57.232 58.000 -0.234 0.000 0.959 343 F CB 1.851 40.745 39.000 -0.177 0.000 1.297 343 F HN 0.462 nan 8.300 nan 0.000 0.441 344 T N 1.502 115.901 114.554 -0.259 0.000 2.786 344 T HA 0.275 4.625 4.350 -0.001 0.000 0.283 344 T C -1.156 173.338 174.700 -0.343 0.000 0.992 344 T CA -0.383 61.404 62.100 -0.523 0.000 0.954 344 T CB 0.583 69.020 68.868 -0.718 0.000 0.934 344 T HN 0.824 nan 8.240 nan 0.000 0.440 345 D N 3.598 123.711 120.400 -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 0.104 53.901 54.000 -0.339 0.000 1.027 345 D CB 0.117 40.674 40.800 -0.405 0.000 1.084 345 D HN 0.450 nan 8.370 nan 0.000 0.514 346 S N 2.295 117.804 115.700 -0.318 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 -0.076 57.886 58.200 -0.397 0.000 0.910 346 S CB 0.209 63.338 63.200 -0.119 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 56.196 56.400 -0.020 0.000 0.866 347 E CB -0.125 29.595 29.700 0.033 0.000 0.916 347 E HN 0.544 nan 8.360 nan 0.000 0.500 348 Y N 0.389 120.706 120.300 0.029 0.000 3.078 348 Y HA -0.302 4.248 4.550 -0.001 0.000 0.202 348 Y C 1.058 176.945 175.900 -0.020 0.000 1.322 348 Y CA 0.324 58.426 58.100 0.003 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 0.091 55.907 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 2.409 123.481 121.223 -0.251 0.000 2.312 350 L HA 0.354 4.694 4.340 -0.001 0.000 0.281 350 L C -2.208 174.520 176.870 -0.238 0.000 1.070 350 L CA -2.317 52.246 54.840 -0.461 0.000 0.805 350 L CB 0.889 42.613 42.059 -0.558 0.000 1.174 350 L HN -0.168 nan 8.230 nan 0.000 0.434 351 P HA -0.142 nan 4.420 nan 0.000 0.258 351 P C -1.038 176.320 177.300 0.096 0.000 1.172 351 P CA 0.232 63.336 63.100 0.006 0.000 0.762 351 P CB -0.022 31.717 31.700 0.065 0.000 0.764 352 Y N 3.962 124.271 120.300 0.016 0.000 2.531 352 Y HA 0.114 4.664 4.550 -0.001 0.000 0.347 352 Y C 1.292 177.196 175.900 0.007 0.000 1.024 352 Y CA 0.409 58.522 58.100 0.020 0.000 1.306 352 Y CB 0.448 38.941 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 0.157 4.277 4.120 -0.001 0.000 0.285 353 V C 0.458 176.362 176.094 -0.316 0.000 1.346 353 V CA 0.220 62.365 62.300 -0.259 0.000 1.104 353 V CB -0.471 31.122 31.823 -0.382 0.000 0.913 353 V HN 0.580 nan 8.190 nan 0.000 0.432 354 L N 0.115 121.030 121.223 -0.513 0.000 2.468 354 L HA 0.569 4.908 4.340 -0.001 0.000 0.254 354 L C 1.460 178.285 176.870 -0.075 0.000 1.171 354 L CA 0.512 55.136 54.840 -0.361 0.000 0.809 354 L CB 0.224 41.968 42.059 -0.525 0.000 1.155 354 L HN 0.305 nan 8.230 nan 0.000 0.473 355 G N 0.505 109.239 108.800 -0.110 0.000 2.198 355 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.257 355 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.257 355 G C 0.383 175.291 174.900 0.013 0.000 1.042 355 G CA 0.375 45.434 45.100 -0.067 0.000 0.791 355 G HN 0.538 nan 8.290 nan 0.000 0.502 356 S N -0.550 115.172 115.700 0.038 0.000 2.855 356 S HA 0.587 5.056 4.470 -0.001 0.000 0.249 356 S C 1.454 175.977 174.600 -0.130 0.000 1.033 356 S CA 1.026 59.239 58.200 0.021 0.000 1.038 356 S CB 0.677 63.968 63.200 0.152 0.000 0.960 356 S HN 2.188 nan 8.310 nan 0.000 0.548 357 A N 1.512 124.292 122.820 -0.067 0.000 2.861 357 A HA -0.214 4.105 4.320 -0.001 0.000 0.261 357 A C 0.330 177.861 177.584 -0.089 0.000 1.351 357 A CA 0.880 52.877 52.037 -0.068 0.000 0.904 357 A CB -2.281 16.673 19.000 -0.077 0.000 1.076 357 A HN 0.674 nan 8.150 nan 0.000 0.729 358 H N 0.098 119.163 119.070 -0.008 0.000 2.745 358 H HA 0.297 4.852 4.556 -0.001 0.000 0.373 358 H C 0.945 176.294 175.328 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 30.141 29.762 0.024 0.000 1.461 358 H HN 0.741 nan 8.280 nan 0.000 0.616 359 Q N -0.870 119.041 119.800 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 1.676 30.475 28.738 0.102 0.000 1.222 359 Q HN 0.971 nan 8.270 nan 0.000 0.482 360 G N -0.499 108.344 108.800 0.072 0.000 2.159 360 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.170 360 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.170 360 G C 0.221 175.097 174.900 -0.040 0.000 1.007 360 G CA -0.370 44.751 45.100 0.035 0.000 0.672 360 G HN 0.607 nan 8.290 nan 0.000 0.507 361 C N 0.263 119.543 119.300 -0.033 0.000 2.827 361 C HA 0.558 5.018 4.460 -0.001 0.000 0.287 361 C C 1.610 176.423 174.990 -0.294 0.000 1.497 361 C CA -0.345 58.616 59.018 -0.095 0.000 2.161 361 C CB -0.327 27.388 27.740 -0.042 0.000 2.120 361 C HN 0.494 nan 8.230 nan 0.000 0.676 362 L N 2.145 123.217 121.223 -0.251 0.000 2.380 362 L HA 0.260 4.600 4.340 -0.001 0.000 0.273 362 L C -2.116 174.720 176.870 -0.057 0.000 1.138 362 L CA -1.240 53.394 54.840 -0.344 0.000 0.832 362 L CB 0.029 41.989 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 -2.063 175.337 177.300 0.166 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 1.160 64.323 63.100 0.106 0.000 0.868 364 P CB -0.046 31.591 31.700 -0.106 0.000 0.788 365 F N 0.111 119.865 119.950 -0.327 0.000 2.420 365 F HA 0.246 4.772 4.527 -0.001 0.000 0.352 365 F C -1.629 174.125 175.800 -0.078 0.000 1.108 365 F CA -2.864 54.893 58.000 -0.406 0.000 1.162 365 F CB 0.788 39.479 39.000 -0.515 0.000 1.118 365 F HN -0.092 nan 8.300 nan 0.000 0.510 366 P HA -0.157 nan 4.420 nan 0.000 0.218 366 P C 1.023 178.291 177.300 -0.054 0.000 1.148 366 P CA 1.922 64.918 63.100 -0.174 0.000 0.822 366 P CB 0.062 31.653 31.700 -0.182 0.000 0.784 367 A N -1.142 121.487 122.820 -0.318 0.000 2.119 367 A HA -0.057 4.262 4.320 -0.001 0.000 0.217 367 A C 0.758 178.447 177.584 0.176 0.000 1.153 367 A CA 0.770 52.797 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 -0.207 176.249 176.300 0.260 0.000 1.108 368 D CA 0.164 54.321 54.000 0.261 0.000 0.894 368 D CB 1.395 42.365 40.800 0.283 0.000 1.203 368 D HN -0.015 nan 8.370 nan 0.000 0.430 369 V N 2.507 122.553 119.914 0.220 0.000 2.612 369 V HA 0.561 4.681 4.120 -0.001 0.000 0.301 369 V C -0.131 176.125 176.094 0.271 0.000 1.046 369 V CA -0.744 61.681 62.300 0.208 0.000 0.946 369 V CB 0.957 32.829 31.823 0.083 0.000 1.003 369 V HN 0.446 nan 8.190 nan 0.000 0.459 370 F N 1.925 121.960 119.950 0.141 0.000 2.593 370 F HA 0.787 5.314 4.527 -0.001 0.000 0.320 370 F C -0.530 175.349 175.800 0.132 0.000 1.060 370 F CA -1.330 56.749 58.000 0.132 0.000 0.940 370 F CB 1.990 41.080 39.000 0.149 0.000 1.268 370 F HN 0.475 nan 8.300 nan 0.000 0.475 371 M N 3.547 123.245 119.600 0.163 0.000 2.209 371 M HA 0.508 4.987 4.480 -0.001 0.000 0.355 371 M C -1.339 175.045 176.300 0.139 0.000 1.171 371 M CA -0.851 54.481 55.300 0.054 0.000 1.069 371 M CB 1.462 34.106 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 0.001 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 -1.159 61.084 62.300 -0.096 0.000 1.002 372 V CB 0.150 31.764 31.823 -0.348 0.000 1.000 372 V HN 0.762 nan 8.190 nan 0.000 0.477 373 P HA 0.065 nan 4.420 nan 0.000 0.271 373 P C -0.566 176.337 177.300 -0.662 0.000 1.238 373 P CA -0.163 62.652 63.100 -0.476 0.000 0.794 373 P CB 0.482 31.713 31.700 -0.782 0.000 0.959 374 Q N 0.224 119.640 119.800 -0.640 0.000 2.266 374 Q HA 0.286 4.625 4.340 -0.001 0.000 0.261 374 Q C -1.407 174.598 176.000 0.009 0.000 0.985 374 Q CA -0.827 54.551 55.803 -0.707 0.000 0.873 374 Q CB 0.679 28.701 28.738 -1.194 0.000 1.306 374 Q HN 0.361 nan 8.270 nan 0.000 0.447 375 Y N 1.364 121.674 120.300 0.017 0.000 2.336 375 Y HA 0.553 5.103 4.550 -0.001 0.000 0.335 375 Y C -0.291 175.651 175.900 0.069 0.000 1.046 375 Y CA 0.254 58.406 58.100 0.086 0.000 1.198 375 Y CB 1.150 39.662 38.460 0.087 0.000 1.182 375 Y HN 0.625 nan 8.280 nan 0.000 0.502 376 G N 5.811 114.310 108.800 -0.501 0.000 2.731 376 G HA2 0.491 4.451 3.960 -0.001 0.000 0.298 376 G HA3 0.491 4.451 3.960 -0.001 0.000 0.298 376 G C -2.243 172.405 174.900 -0.419 0.000 1.424 376 G CA -0.802 44.091 45.100 -0.344 0.000 1.029 376 G HN 0.741 nan 8.290 nan 0.000 0.518 377 Y N -0.108 120.008 120.300 -0.306 0.000 2.605 377 Y HA 0.839 5.389 4.550 -0.001 0.000 0.343 377 Y C -0.926 175.000 175.900 0.043 0.000 1.036 377 Y CA -1.636 56.363 58.100 -0.168 0.000 1.065 377 Y CB 1.591 39.993 38.460 -0.096 0.000 1.288 377 Y HN 0.459 nan 8.280 nan 0.000 0.481 378 L N 1.391 122.732 121.223 0.197 0.000 2.304 378 L HA 0.838 5.178 4.340 -0.001 0.000 0.268 378 L C -0.443 176.621 176.870 0.323 0.000 1.010 378 L CA -0.745 54.207 54.840 0.186 0.000 0.813 378 L CB 2.483 44.645 42.059 0.172 0.000 1.315 378 L HN 0.938 nan 8.230 nan 0.000 0.445 379 T N 0.005 114.743 114.554 0.307 0.000 2.812 379 T HA 0.356 4.706 4.350 -0.001 0.000 0.294 379 T C -1.044 173.822 174.700 0.277 0.000 1.159 379 T CA -0.714 61.590 62.100 0.340 0.000 1.008 379 T CB 1.603 70.724 68.868 0.422 0.000 1.289 379 T HN 0.222 nan 8.240 nan 0.000 0.514 380 L N 3.325 124.686 121.223 0.229 0.000 2.540 380 L HA 0.353 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 0.387 55.325 54.840 0.163 0.000 0.893 380 L CB -0.692 41.442 42.059 0.125 0.000 1.138 380 L HN 0.900 nan 8.230 nan 0.000 0.491 381 N N 1.699 120.462 118.700 0.105 0.000 2.329 381 N HA 0.336 5.075 4.740 -0.001 0.000 0.282 381 N C -1.272 174.241 175.510 0.005 0.000 1.198 381 N CA -0.802 52.274 53.050 0.043 0.000 0.790 381 N CB 0.952 39.509 38.487 0.117 0.000 1.579 381 N HN 0.422 nan 8.380 nan 0.000 0.475 382 N N 0.835 119.496 118.700 -0.065 0.000 3.044 382 N HA 0.392 5.132 4.740 -0.001 0.000 0.254 382 N C 0.553 175.985 175.510 -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 1.832 110.546 108.800 -0.143 0.000 2.527 383 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G C 0.828 175.508 174.900 -0.366 0.000 1.153 383 G CA 0.497 45.359 45.100 -0.396 0.000 0.954 383 G HN 0.719 nan 8.290 nan 0.000 0.552 384 S N 0.386 115.836 115.700 -0.417 0.000 2.496 384 S HA 0.287 4.757 4.470 -0.001 0.000 0.224 384 S C 1.107 175.630 174.600 -0.128 0.000 0.996 384 S CA 1.461 59.583 58.200 -0.130 0.000 0.927 384 S CB 0.163 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 -0.463 175.290 176.000 -0.411 0.000 0.983 385 Q CA -0.512 55.116 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 0.306 122.767 122.820 -0.598 0.000 2.350 386 A HA 0.694 5.013 4.320 -0.001 0.000 0.318 386 A C -0.789 176.625 177.584 -0.283 0.000 1.132 386 A CA -0.619 51.078 52.037 -0.567 0.000 0.811 386 A CB 1.073 19.415 19.000 -1.097 0.000 1.313 386 A HN 0.443 nan 8.150 nan 0.000 0.454 387 V N 0.072 119.894 119.914 -0.153 0.000 3.109 387 V HA 0.494 4.614 4.120 -0.001 0.000 0.317 387 V C 1.753 177.814 176.094 -0.054 0.000 1.074 387 V CA 0.300 62.552 62.300 -0.080 0.000 1.033 387 V CB 1.314 33.120 31.823 -0.028 0.000 1.111 387 V HN 1.163 nan 8.190 nan 0.000 0.458 388 G N 0.320 109.100 108.800 -0.033 0.000 2.471 388 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.219 388 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.219 388 G C 1.262 176.169 174.900 0.011 0.000 1.125 388 G CA 0.164 45.256 45.100 -0.014 0.000 0.775 388 G HN 0.653 nan 8.290 nan 0.000 0.548 389 R N 0.514 121.026 120.500 0.020 0.000 2.310 389 R HA 0.188 4.528 4.340 -0.001 0.000 0.202 389 R C 0.595 176.934 176.300 0.066 0.000 0.933 389 R CA -0.178 55.947 56.100 0.041 0.000 1.054 389 R CB 0.163 30.489 30.300 0.044 0.000 0.985 389 R HN 0.182 nan 8.270 nan 0.000 0.489 390 S N 0.386 116.130 115.700 0.074 0.000 2.589 390 S HA 0.150 4.620 4.470 -0.001 0.000 0.265 390 S C 0.174 174.846 174.600 0.120 0.000 1.342 390 S CA -0.044 58.237 58.200 0.134 0.000 1.005 390 S CB 1.290 64.595 63.200 0.175 0.000 0.909 390 S HN 0.048 nan 8.310 nan 0.000 0.555 391 S N 1.200 116.978 115.700 0.129 0.000 2.532 391 S HA 0.538 5.007 4.470 -0.001 0.000 0.299 391 S C -1.181 173.321 174.600 -0.162 0.000 1.105 391 S CA -0.575 57.566 58.200 -0.098 0.000 1.018 391 S CB 0.871 63.932 63.200 -0.232 0.000 1.021 391 S HN 0.526 nan 8.310 nan 0.000 0.483 392 F N 3.882 123.569 119.950 -0.439 0.000 2.427 392 F HA 0.620 5.147 4.527 -0.001 0.000 0.346 392 F C -1.537 173.940 175.800 -0.538 0.000 1.120 392 F CA -1.251 56.463 58.000 -0.476 0.000 1.033 392 F CB 0.450 39.191 39.000 -0.432 0.000 1.126 392 F HN 0.548 nan 8.300 nan 0.000 0.462 393 Y N 5.224 125.186 120.300 -0.563 0.000 2.341 393 Y HA 0.457 5.007 4.550 -0.001 0.000 0.338 393 Y C -0.284 175.141 175.900 -0.791 0.000 0.965 393 Y CA -0.954 56.798 58.100 -0.581 0.000 1.108 393 Y CB 1.671 39.875 38.460 -0.427 0.000 1.180 393 Y HN 0.721 nan 8.280 nan 0.000 0.458 394 C N 5.957 124.955 119.300 -0.504 0.000 2.281 394 C HA 0.406 4.865 4.460 -0.001 0.000 0.323 394 C C 0.826 175.826 174.990 0.017 0.000 1.270 394 C CA -0.731 58.004 59.018 -0.473 0.000 1.559 394 C CB -0.973 26.466 27.740 -0.501 0.000 2.239 394 C HN 0.976 nan 8.230 nan 0.000 0.488 395 L N 4.387 125.688 121.223 0.130 0.000 2.622 395 L HA 0.096 4.435 4.340 -0.001 0.000 0.233 395 L C 2.230 179.137 176.870 0.062 0.000 1.156 395 L CA 1.301 56.100 54.840 -0.068 0.000 0.866 395 L CB -0.467 41.179 42.059 -0.689 0.000 0.980 395 L HN 0.688 nan 8.230 nan 0.000 0.448 396 E N -1.642 118.748 120.200 0.317 0.000 2.371 396 E HA -0.134 4.216 4.350 -0.001 0.000 0.194 396 E C 1.348 178.043 176.600 0.159 0.000 1.012 396 E CA 0.518 57.109 56.400 0.319 0.000 0.860 396 E CB -0.090 29.827 29.700 0.362 0.000 0.811 396 E HN 0.548 nan 8.360 nan 0.000 0.502 397 Y N -0.073 120.219 120.300 -0.013 0.000 2.477 397 Y HA 0.079 4.629 4.550 -0.001 0.000 0.303 397 Y C -0.299 175.389 175.900 -0.353 0.000 1.202 397 Y CA -0.136 57.871 58.100 -0.156 0.000 1.282 397 Y CB -0.034 38.306 38.460 -0.199 0.000 1.071 397 Y HN -0.229 nan 8.280 nan 0.000 0.510 398 F N 1.337 121.032 119.950 -0.426 0.000 2.436 398 F HA 0.413 4.940 4.527 -0.001 0.000 0.340 398 F C -2.057 173.376 175.800 -0.612 0.000 1.113 398 F CA -3.117 54.474 58.000 -0.682 0.000 1.022 398 F CB 0.752 38.957 39.000 -1.325 0.000 1.128 398 F HN -0.070 nan 8.300 nan 0.000 0.466 399 P HA 0.122 nan 4.420 nan 0.000 0.262 399 P C -0.974 176.249 177.300 -0.128 0.000 1.199 399 P CA -0.000 62.991 63.100 -0.182 0.000 0.763 399 P CB 0.535 32.155 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 -0.811 173.886 174.600 0.162 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 -1.003 175.100 176.000 0.172 0.000 0.937 401 Q CA -0.267 55.655 55.803 0.197 0.000 0.933 401 Q CB 0.582 29.491 28.738 0.286 0.000 1.189 401 Q HN 0.747 nan 8.270 nan 0.000 0.417 402 M N 4.297 123.977 119.600 0.133 0.000 2.209 402 M HA 0.339 4.819 4.480 -0.001 0.000 0.355 402 M C -1.180 175.184 176.300 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 33.628 32.600 0.076 0.000 1.622 402 M HN 0.445 nan 8.290 nan 0.000 0.459 403 L N 2.649 123.936 121.223 0.106 0.000 2.362 403 L HA 0.604 4.944 4.340 -0.001 0.000 0.275 403 L C -0.178 176.746 176.870 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 43.914 42.059 0.154 0.000 1.270 403 L HN 0.596 nan 8.230 nan 0.000 0.415 404 R N -0.101 120.447 120.500 0.079 0.000 2.606 404 R HA 0.651 4.990 4.340 -0.001 0.000 0.249 404 R C -0.525 175.816 176.300 0.069 0.000 1.127 404 R CA -0.538 55.598 56.100 0.060 0.000 1.133 404 R CB 1.022 31.349 30.300 0.046 0.000 1.243 404 R HN 0.639 nan 8.270 nan 0.000 0.558 405 T N 0.818 115.402 114.554 0.050 0.000 2.784 405 T HA 0.335 4.685 4.350 -0.001 0.000 0.291 405 T C 0.788 175.522 174.700 0.058 0.000 0.942 405 T CA 0.954 63.085 62.100 0.051 0.000 1.161 405 T CB 0.519 69.402 68.868 0.026 0.000 0.885 405 T HN 0.785 nan 8.240 nan 0.000 0.534 406 G N 3.553 112.400 108.800 0.079 0.000 2.211 406 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.201 406 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.201 406 G C 0.018 174.974 174.900 0.094 0.000 0.997 406 G CA -0.794 44.354 45.100 0.079 0.000 0.652 406 G HN 0.601 nan 8.290 nan 0.000 0.500 407 N N 1.654 120.419 118.700 0.109 0.000 2.508 407 N HA 0.598 5.338 4.740 -0.001 0.000 0.285 407 N C -0.135 175.480 175.510 0.175 0.000 1.144 407 N CA -0.121 53.005 53.050 0.127 0.000 0.978 407 N CB 1.161 39.723 38.487 0.125 0.000 1.180 407 N HN 0.682 nan 8.380 nan 0.000 0.484 408 N N -0.344 118.467 118.700 0.186 0.000 2.455 408 N HA 0.439 5.178 4.740 -0.001 0.000 0.278 408 N C -1.759 173.922 175.510 0.284 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 0.210 0.000 1.520 408 N HN 0.359 nan 8.380 nan 0.000 0.486 409 F N -0.014 120.029 119.950 0.155 0.000 2.520 409 F HA 0.532 5.058 4.527 -0.000 0.000 0.322 409 F C -0.690 175.211 175.800 0.167 0.000 1.103 409 F CA -0.454 57.640 58.000 0.157 0.000 0.926 409 F CB 2.031 41.136 39.000 0.176 0.000 1.154 409 F HN 0.569 nan 8.300 nan 0.000 0.453 410 Q N 5.111 124.542 119.800 -0.614 0.000 2.375 410 Q HA 0.612 4.952 4.340 -0.001 0.000 0.271 410 Q C -2.097 173.675 176.000 -0.381 0.000 1.074 410 Q CA -0.608 54.994 55.803 -0.335 0.000 0.808 410 Q CB 2.166 30.787 28.738 -0.194 0.000 1.327 410 Q HN 0.679 nan 8.270 nan 0.000 0.441 411 F N 1.051 120.870 119.950 -0.218 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 -0.016 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 0.006 0.000 1.275 411 F HN 0.484 nan 8.300 nan 0.000 0.457 412 S N 5.179 120.372 115.700 -0.845 0.000 2.500 412 S HA 0.560 5.030 4.470 -0.001 0.000 0.301 412 S C -1.892 172.188 174.600 -0.867 0.000 1.092 412 S CA -0.554 57.245 58.200 -0.668 0.000 1.030 412 S CB 1.664 64.641 63.200 -0.371 0.000 1.031 412 S HN 0.622 nan 8.310 nan 0.000 0.483 413 Y N 1.356 121.228 120.300 -0.714 0.000 2.545 413 Y HA 0.638 5.188 4.550 -0.001 0.000 0.348 413 Y C -0.956 174.676 175.900 -0.447 0.000 1.002 413 Y CA -0.470 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 6.319 120.099 114.554 -1.290 0.000 2.864 414 T HA 0.380 4.729 4.350 -0.001 0.000 0.299 414 T C -0.876 173.110 174.700 -1.190 0.000 1.011 414 T CA -0.431 61.099 62.100 -0.950 0.000 0.975 414 T CB -0.090 68.469 68.868 -0.515 0.000 0.962 414 T HN 0.453 nan 8.240 nan 0.000 0.448 415 F N 2.972 122.469 119.950 -0.755 0.000 2.595 415 F HA 0.137 4.664 4.527 -0.001 0.000 0.359 415 F C 1.626 177.237 175.800 -0.315 0.000 1.147 415 F CA -0.198 57.544 58.000 -0.429 0.000 1.341 415 F CB 0.603 39.436 39.000 -0.278 0.000 1.104 415 F HN 0.563 nan 8.300 nan 0.000 0.603 416 E N 0.652 120.862 120.200 0.018 0.000 2.622 416 E HA 0.176 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 -0.981 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 -1.137 175.134 176.300 -0.049 0.000 1.223 417 D CA 0.124 54.091 54.000 -0.055 0.000 0.886 417 D CB 1.193 41.974 40.800 -0.032 0.000 1.120 417 D HN 0.230 nan 8.370 nan 0.000 0.482 418 V N 4.566 124.421 119.914 -0.099 0.000 2.668 418 V HA 0.396 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 -2.216 60.053 62.300 -0.050 0.000 0.894 418 V CB 2.154 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 0.077 nan 4.420 nan 0.000 0.263 419 P C -0.436 176.995 177.300 0.219 0.000 1.175 419 P CA 0.397 63.579 63.100 0.137 0.000 0.761 419 P CB 0.008 31.791 31.700 0.138 0.000 0.794 420 F N 1.343 121.386 119.950 0.154 0.000 2.628 420 F HA -0.016 4.511 4.527 -0.001 0.000 0.362 420 F C 1.751 177.666 175.800 0.191 0.000 1.148 420 F CA 0.656 58.766 58.000 0.184 0.000 1.352 420 F CB -0.092 38.991 39.000 0.139 0.000 1.081 420 F HN 0.430 nan 8.300 nan 0.000 0.605 421 H N 0.649 119.824 119.070 0.175 0.000 2.607 421 H HA 0.259 4.815 4.556 -0.001 0.000 0.367 421 H C -0.382 174.951 175.328 0.008 0.000 1.181 421 H CA -0.556 55.441 56.048 -0.086 0.000 1.402 421 H CB 0.760 30.230 29.762 -0.487 0.000 1.474 421 H HN 0.449 nan 8.280 nan 0.000 0.596 422 S N 2.748 117.837 115.700 -1.019 0.000 2.681 422 S HA 0.065 4.535 4.470 -0.001 0.000 0.313 422 S C 0.200 174.381 174.600 -0.698 0.000 1.137 422 S CA -0.367 57.349 58.200 -0.808 0.000 1.045 422 S CB 0.054 62.633 63.200 -1.034 0.000 1.208 422 S HN 0.596 nan 8.310 nan 0.000 0.523 423 S N 2.735 118.372 115.700 -0.105 0.000 2.763 423 S HA 0.202 4.671 4.470 -0.001 0.000 0.237 423 S C -0.065 174.593 174.600 0.097 0.000 0.966 423 S CA -0.444 57.813 58.200 0.095 0.000 1.017 423 S CB -0.591 62.786 63.200 0.294 0.000 0.780 423 S HN 0.803 nan 8.310 nan 0.000 0.476 424 Y N -1.586 118.596 120.300 -0.198 0.000 2.638 424 Y HA 0.886 5.435 4.550 -0.001 0.000 0.339 424 Y C -0.767 174.916 175.900 -0.361 0.000 1.084 424 Y CA -1.944 55.966 58.100 -0.317 0.000 1.068 424 Y CB 0.780 38.836 38.460 -0.674 0.000 1.294 424 Y HN -0.066 nan 8.280 nan 0.000 0.480 425 A N 1.251 123.937 122.820 -0.223 0.000 2.422 425 A HA 0.523 4.843 4.320 -0.001 0.000 0.302 425 A C -1.542 175.928 177.584 -0.190 0.000 1.041 425 A CA -0.909 50.957 52.037 -0.284 0.000 0.708 425 A CB 0.706 19.616 19.000 -0.150 0.000 1.257 425 A HN 0.862 nan 8.150 nan 0.000 0.414 426 H N 1.988 121.055 119.070 -0.005 0.000 2.803 426 H HA 0.126 4.682 4.556 -0.001 0.000 0.330 426 H C 1.251 176.575 175.328 -0.008 0.000 1.057 426 H CA 0.923 56.972 56.048 0.001 0.000 1.458 426 H CB 1.183 30.939 29.762 -0.009 0.000 1.470 426 H HN 0.776 nan 8.280 nan 0.000 0.560 427 S N 2.030 117.792 115.700 0.103 0.000 2.528 427 S HA 0.027 4.497 4.470 -0.001 0.000 0.219 427 S C 0.677 175.314 174.600 0.062 0.000 0.985 427 S CA -0.093 58.148 58.200 0.069 0.000 0.914 427 S CB 0.559 63.795 63.200 0.060 0.000 0.776 427 S HN 0.571 nan 8.310 nan 0.000 0.526 428 Q N 0.657 120.498 119.800 0.068 0.000 2.252 428 Q HA 0.656 4.996 4.340 -0.001 0.000 0.256 428 Q C -0.857 175.151 176.000 0.014 0.000 1.020 428 Q CA -0.629 55.193 55.803 0.031 0.000 0.913 428 Q CB 1.855 30.600 28.738 0.011 0.000 1.286 428 Q HN 0.305 nan 8.270 nan 0.000 0.480 429 S N -0.465 115.231 115.700 -0.007 0.000 2.638 429 S HA 0.380 4.850 4.470 -0.001 0.000 0.302 429 S C 0.716 175.297 174.600 -0.032 0.000 1.096 429 S CA -0.609 57.578 58.200 -0.021 0.000 0.953 429 S CB 0.893 64.088 63.200 -0.009 0.000 1.107 429 S HN 0.695 nan 8.310 nan 0.000 0.503 430 L N 1.453 122.655 121.223 -0.034 0.000 2.017 430 L HA -0.077 4.263 4.340 -0.001 0.000 0.208 430 L C 2.018 178.900 176.870 0.020 0.000 1.073 430 L CA 1.887 56.724 54.840 -0.006 0.000 0.745 430 L CB -0.342 41.721 42.059 0.007 0.000 0.894 430 L HN 0.827 nan 8.230 nan 0.000 0.432 431 D N -1.168 119.232 120.400 -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 0.342 30.638 30.300 -0.006 0.000 1.457 432 R HN 0.215 nan 8.270 nan 0.000 0.669 433 L N 0.410 121.636 121.223 0.006 0.000 2.575 433 L HA 0.197 4.536 4.340 -0.001 0.000 0.228 433 L C 0.441 177.320 176.870 0.015 0.000 1.075 433 L CA 0.762 55.612 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 -0.716 118.885 119.600 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 -0.054 55.240 55.300 -0.009 0.000 0.893 434 M CB -0.817 31.764 32.600 -0.032 0.000 1.199 434 M HN -0.135 nan 8.290 nan 0.000 0.482 435 N N 0.476 119.166 118.700 -0.017 0.000 2.422 435 N HA 0.348 5.087 4.740 -0.001 0.000 0.266 435 N C -2.213 173.288 175.510 -0.015 0.000 1.007 435 N CA -1.679 51.364 53.050 -0.012 0.000 0.941 435 N CB 1.054 39.535 38.487 -0.009 0.000 1.115 435 N HN 0.325 nan 8.380 nan 0.000 0.492 436 P HA -0.011 nan 4.420 nan 0.000 0.225 436 P C 0.902 178.196 177.300 -0.009 0.000 1.148 436 P CA 0.643 63.736 63.100 -0.010 0.000 0.779 436 P CB 0.553 32.249 31.700 -0.006 0.000 0.780 437 L N -2.039 119.180 121.223 -0.007 0.000 2.316 437 L HA 0.126 4.466 4.340 -0.001 0.000 0.207 437 L C 1.085 177.952 176.870 -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 -0.411 120.154 120.570 -0.007 0.000 2.577 438 I HA 0.282 4.452 4.170 -0.001 0.000 0.305 438 I C -0.512 175.593 176.117 -0.019 0.000 0.986 438 I CA -0.831 60.465 61.300 -0.006 0.000 1.189 438 I CB 1.007 39.007 38.000 0.001 0.000 1.355 438 I HN -0.019 nan 8.210 nan 0.000 0.476 439 D N 2.936 123.325 120.400 -0.018 0.000 2.253 439 D HA 0.359 4.999 4.640 -0.001 0.000 0.249 439 D C 0.058 176.317 176.300 -0.068 0.000 1.049 439 D CA -0.404 53.573 54.000 -0.039 0.000 0.929 439 D CB 0.771 41.554 40.800 -0.030 0.000 1.176 439 D HN 0.338 nan 8.370 nan 0.000 0.437 440 Q N 0.250 119.978 119.800 -0.120 0.000 2.417 440 Q HA 0.138 4.477 4.340 -0.001 0.000 0.241 440 Q C 0.174 176.065 176.000 -0.181 0.000 1.008 440 Q CA -0.238 55.430 55.803 -0.225 0.000 0.901 440 Q CB 0.639 29.229 28.738 -0.248 0.000 1.259 440 Q HN 0.676 nan 8.270 nan 0.000 0.489 441 Y N -0.841 119.425 120.300 -0.056 0.000 2.457 441 Y HA 0.367 4.917 4.550 -0.001 0.000 0.263 441 Y C -0.062 175.820 175.900 -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 0.249 nan 8.280 nan 0.000 0.523 442 L N 0.910 122.100 121.223 -0.056 0.000 2.399 442 L HA 0.369 4.709 4.340 -0.001 0.000 0.265 442 L C -1.020 175.829 176.870 -0.036 0.000 1.089 442 L CA -0.942 53.936 54.840 0.063 0.000 0.802 442 L CB 0.931 42.980 42.059 -0.017 0.000 1.180 442 L HN 0.095 nan 8.230 nan 0.000 0.454 443 Y N 0.510 120.871 120.300 0.101 0.000 2.429 443 Y HA 0.461 5.010 4.550 -0.001 0.000 0.342 443 Y C -0.410 175.597 175.900 0.178 0.000 1.004 443 Y CA -0.572 57.584 58.100 0.093 0.000 1.075 443 Y CB 1.788 40.236 38.460 -0.021 0.000 1.214 443 Y HN 0.383 nan 8.280 nan 0.000 0.455 444 Y N 0.377 120.824 120.300 0.246 0.000 2.605 444 Y HA 0.734 5.284 4.550 -0.001 0.000 0.343 444 Y C -1.702 174.401 175.900 0.339 0.000 1.036 444 Y CA -1.753 56.481 58.100 0.224 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 2.883 124.314 121.223 0.347 0.000 2.276 445 L HA 0.404 4.743 4.340 -0.001 0.000 0.286 445 L C 0.007 176.929 176.870 0.086 0.000 1.061 445 L CA -0.165 54.741 54.840 0.109 0.000 0.807 445 L CB 0.882 42.978 42.059 0.063 0.000 1.177 445 L HN 1.070 nan 8.230 nan 0.000 0.429 446 N N 2.187 120.854 118.700 -0.054 0.000 2.145 446 N HA 0.173 4.913 4.740 -0.001 0.000 0.219 446 N C -0.489 175.007 175.510 -0.025 0.000 1.266 446 N CA -0.648 52.431 53.050 0.048 0.000 0.902 446 N CB 0.642 39.203 38.487 0.123 0.000 1.078 446 N HN 0.312 nan 8.380 nan 0.000 0.513 447 R N 0.967 121.400 120.500 -0.112 0.000 2.502 447 R HA 0.263 4.602 4.340 -0.001 0.000 0.300 447 R C -0.004 176.207 176.300 -0.148 0.000 0.984 447 R CA -0.311 55.725 56.100 -0.107 0.000 0.882 447 R CB 1.480 31.718 30.300 -0.103 0.000 1.180 447 R HN 0.269 nan 8.270 nan 0.000 0.444 448 T N -1.786 112.709 114.554 -0.098 0.000 3.034 448 T HA -0.044 4.305 4.350 -0.001 0.000 0.248 448 T C 1.222 175.876 174.700 -0.076 0.000 1.040 448 T CA 0.485 62.527 62.100 -0.096 0.000 1.107 448 T CB 0.405 69.237 68.868 -0.060 0.000 0.932 448 T HN 0.586 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 1.598 177.573 176.000 -0.041 0.000 0.735 449 Q CA -0.013 55.763 55.803 -0.045 0.000 0.904 449 Q CB -0.567 28.152 28.738 -0.032 0.000 1.294 449 Q HN 0.293 nan 8.270 nan 0.000 0.553 450 G N 2.265 111.043 108.800 -0.036 0.000 2.198 450 G HA2 0.196 4.155 3.960 -0.001 0.000 0.280 450 G HA3 0.196 4.155 3.960 -0.001 0.000 0.280 450 G C -0.308 174.572 174.900 -0.032 0.000 0.954 450 G CA 0.767 45.850 45.100 -0.029 0.000 1.281 450 G HN 0.363 nan 8.290 nan 0.000 0.373 451 T N 0.952 115.489 114.554 -0.028 0.000 2.849 451 T HA 0.307 4.657 4.350 -0.001 0.000 0.272 451 T C 1.026 175.714 174.700 -0.019 0.000 1.046 451 T CA -0.524 61.559 62.100 -0.027 0.000 0.983 451 T CB 0.543 69.395 68.868 -0.028 0.000 1.721 451 T HN 0.164 nan 8.240 nan 0.000 0.594 452 T N 2.730 117.274 114.554 -0.016 0.000 4.216 452 T HA 0.106 4.456 4.350 -0.001 0.000 0.221 452 T C 0.456 175.150 174.700 -0.011 0.000 0.939 452 T CA 0.129 62.222 62.100 -0.011 0.000 1.218 452 T CB -0.787 68.075 68.868 -0.009 0.000 1.266 452 T HN 0.494 nan 8.240 nan 0.000 0.917 453 S N 1.951 117.644 115.700 -0.011 0.000 2.429 453 S HA 0.483 4.952 4.470 -0.001 0.000 0.292 453 S C 1.146 175.742 174.600 -0.008 0.000 1.183 453 S CA 0.178 58.372 58.200 -0.010 0.000 1.088 453 S CB -0.126 63.067 63.200 -0.011 0.000 1.018 453 S HN 0.843 nan 8.310 nan 0.000 0.511 454 G N 3.581 112.377 108.800 -0.008 0.000 4.170 454 G HA2 0.161 4.121 3.960 -0.001 0.000 0.143 454 G HA3 0.161 4.121 3.960 -0.001 0.000 0.143 454 G C -0.295 174.602 174.900 -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 2.282 116.832 114.554 -0.006 0.000 2.794 455 T HA 0.498 4.848 4.350 -0.001 0.000 0.280 455 T C 0.349 175.044 174.700 -0.007 0.000 0.987 455 T CA 0.612 62.708 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 0.609 nan 8.240 nan 0.000 0.449 456 T N 3.648 118.198 114.554 -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 62.644 62.100 -0.007 0.000 1.887 456 T CB -1.212 67.652 68.868 -0.006 0.000 1.811 456 T HN 0.621 nan 8.240 nan 0.000 0.749 457 N N 1.620 120.314 118.700 -0.010 0.000 2.904 457 N HA 0.117 4.857 4.740 -0.001 0.000 0.257 457 N C 1.412 176.914 175.510 -0.015 0.000 1.363 457 N CA -0.502 52.540 53.050 -0.013 0.000 0.856 457 N CB 1.292 39.771 38.487 -0.014 0.000 1.166 457 N HN 0.530 nan 8.380 nan 0.000 0.499 458 Q N 0.282 120.073 119.800 -0.015 0.000 1.984 458 Q HA 0.032 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 0.919 56.713 55.803 -0.015 0.000 0.827 458 Q CB -0.197 28.533 28.738 -0.013 0.000 0.894 458 Q HN 0.320 nan 8.270 nan 0.000 0.438 459 S N -0.840 114.846 115.700 -0.023 0.000 2.550 459 S HA 0.761 5.230 4.470 -0.001 0.000 0.270 459 S C -1.031 173.546 174.600 -0.037 0.000 1.145 459 S CA -1.038 57.143 58.200 -0.031 0.000 0.852 459 S CB 3.071 66.254 63.200 -0.029 0.000 1.119 459 S HN 0.449 nan 8.310 nan 0.000 0.465 460 R N 1.068 121.536 120.500 -0.054 0.000 2.579 460 R HA 0.393 4.733 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 -0.750 55.310 56.100 -0.066 0.000 0.942 460 R CB 1.054 31.321 30.300 -0.055 0.000 1.251 460 R HN 0.806 nan 8.270 nan 0.000 0.450 461 L N 5.687 126.828 121.223 -0.137 0.000 2.325 461 L HA 0.392 4.731 4.340 -0.001 0.000 0.284 461 L C -0.467 176.142 176.870 -0.434 0.000 1.089 461 L CA -0.222 54.447 54.840 -0.284 0.000 0.836 461 L CB 0.586 42.523 42.059 -0.203 0.000 1.184 461 L HN 0.376 nan 8.230 nan 0.000 0.444 462 L N 4.128 125.015 121.223 -0.561 0.000 2.385 462 L HA 0.573 4.913 4.340 -0.001 0.000 0.273 462 L C -0.828 175.668 176.870 -0.624 0.000 0.990 462 L CA -0.420 54.145 54.840 -0.457 0.000 0.821 462 L CB 1.914 43.849 42.059 -0.207 0.000 1.279 462 L HN 0.336 nan 8.230 nan 0.000 0.412 463 F N 0.278 120.184 119.950 -0.073 0.000 2.522 463 F HA 0.582 5.108 4.527 -0.001 0.000 0.324 463 F C 0.380 176.123 175.800 -0.095 0.000 1.077 463 F CA -0.584 57.355 58.000 -0.101 0.000 0.944 463 F CB 2.197 41.165 39.000 -0.053 0.000 1.175 463 F HN 0.261 nan 8.300 nan 0.000 0.468 464 S N 0.671 116.278 115.700 -0.156 0.000 2.536 464 S HA 0.321 4.791 4.470 -0.001 0.000 0.298 464 S C -1.023 173.386 174.600 -0.319 0.000 1.083 464 S CA -0.867 57.194 58.200 -0.231 0.000 0.995 464 S CB 1.822 64.787 63.200 -0.391 0.000 1.058 464 S HN 0.638 nan 8.310 nan 0.000 0.488 465 Q N 2.120 121.755 119.800 -0.276 0.000 2.288 465 Q HA 0.543 4.882 4.340 -0.001 0.000 0.258 465 Q C -0.226 175.714 176.000 -0.100 0.000 0.957 465 Q CA -0.711 54.719 55.803 -0.621 0.000 0.919 465 Q CB 0.774 29.081 28.738 -0.720 0.000 1.185 465 Q HN 0.782 nan 8.270 nan 0.000 0.408 466 A N 3.397 126.256 122.820 0.064 0.000 2.565 466 A HA 0.460 4.780 4.320 -0.001 0.000 0.237 466 A C 0.330 177.915 177.584 0.002 0.000 1.053 466 A CA 0.774 52.892 52.037 0.135 0.000 0.755 466 A CB 0.093 19.087 19.000 -0.010 0.000 0.980 466 A HN 0.887 nan 8.150 nan 0.000 0.506 467 G N 1.082 109.893 108.800 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 -2.404 172.486 174.900 -0.018 0.000 1.364 467 G CA -1.027 44.068 45.100 -0.007 0.000 0.938 467 G HN 0.303 nan 8.290 nan 0.000 0.490 468 P HA -0.053 nan 4.420 nan 0.000 0.222 468 P C 1.512 178.804 177.300 -0.013 0.000 1.147 468 P CA 1.064 64.153 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 -0.336 119.463 119.800 -0.003 0.000 2.096 469 Q HA -0.017 4.323 4.340 -0.001 0.000 0.197 469 Q C 1.080 177.082 176.000 0.002 0.000 0.964 469 Q CA 1.324 57.129 55.803 0.005 0.000 0.838 469 Q CB -0.470 28.278 28.738 0.016 0.000 0.906 469 Q HN 0.285 nan 8.270 nan 0.000 0.444 470 S N -0.022 115.681 115.700 0.005 0.000 3.983 470 S HA 0.218 4.687 4.470 -0.001 0.000 0.194 470 S C 0.837 175.385 174.600 -0.088 0.000 1.464 470 S CA -0.313 57.873 58.200 -0.023 0.000 1.021 470 S CB 0.148 63.367 63.200 0.032 0.000 1.424 470 S HN 0.221 nan 8.310 nan 0.000 0.473 471 M N 2.341 121.902 119.600 -0.065 0.000 2.156 471 M HA -0.060 4.420 4.480 -0.001 0.000 0.264 471 M C 1.819 178.063 176.300 -0.093 0.000 1.067 471 M CA 1.563 56.821 55.300 -0.071 0.000 1.131 471 M CB -0.061 32.513 32.600 -0.044 0.000 1.368 471 M HN 0.676 nan 8.290 nan 0.000 0.416 472 S N -0.736 114.909 115.700 -0.092 0.000 2.679 472 S HA 0.210 4.680 4.470 -0.001 0.000 0.233 472 S C 0.888 175.401 174.600 -0.146 0.000 0.951 472 S CA -0.296 57.844 58.200 -0.099 0.000 0.973 472 S CB -0.385 62.773 63.200 -0.071 0.000 0.778 472 S HN 0.566 nan 8.310 nan 0.000 0.477 473 L N -0.486 120.602 121.223 -0.226 0.000 2.993 473 L HA 0.310 4.650 4.340 -0.001 0.000 0.264 473 L C 0.654 177.222 176.870 -0.502 0.000 1.154 473 L CA -0.233 54.371 54.840 -0.393 0.000 0.972 473 L CB 0.175 41.903 42.059 -0.551 0.000 1.373 473 L HN 0.254 nan 8.230 nan 0.000 0.564 474 Q N 1.191 120.790 119.800 -0.335 0.000 2.432 474 Q HA 0.337 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 -0.100 55.546 55.803 -0.262 0.000 0.908 474 Q CB 0.972 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 1.920 124.649 122.820 -0.151 0.000 2.520 475 A HA 0.195 4.514 4.320 -0.001 0.000 0.235 475 A C -0.041 177.473 177.584 -0.117 0.000 1.065 475 A CA 0.259 52.228 52.037 -0.114 0.000 0.764 475 A CB 0.304 19.245 19.000 -0.098 0.000 1.002 475 A HN 0.577 nan 8.150 nan 0.000 0.502 476 R N 0.338 120.771 120.500 -0.111 0.000 2.807 476 R HA 0.449 4.789 4.340 -0.001 0.000 0.276 476 R C 0.229 176.411 176.300 -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 31.407 30.300 -0.069 0.000 1.191 476 R HN 0.735 nan 8.270 nan 0.000 0.471 477 N N 0.232 118.745 118.700 -0.312 0.000 2.250 477 N HA 0.163 4.903 4.740 -0.001 0.000 0.190 477 N C -1.023 173.876 175.510 -1.018 0.000 1.116 477 N CA 0.337 52.933 53.050 -0.757 0.000 0.881 477 N CB 0.457 38.333 38.487 -1.017 0.000 1.006 477 N HN 0.369 nan 8.380 nan 0.000 0.491 478 W N 0.080 121.379 121.300 -0.002 0.000 3.083 478 W HA 0.546 5.205 4.660 -0.001 0.000 0.333 478 W C -0.696 175.834 176.519 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 30.269 29.460 -0.001 0.000 1.437 478 W HN -0.371 nan 8.180 nan 0.000 0.557 479 L N 2.022 123.428 121.223 0.305 0.000 2.303 479 L HA 0.652 4.991 4.340 -0.001 0.000 0.266 479 L C -2.141 174.854 176.870 0.208 0.000 1.011 479 L CA -2.725 52.237 54.840 0.204 0.000 0.818 479 L CB 0.532 42.711 42.059 0.200 0.000 1.326 479 L HN 0.068 nan 8.230 nan 0.000 0.435 480 P HA 0.243 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 32.192 31.700 0.083 0.000 1.038 481 G N 0.683 109.644 108.800 0.268 0.000 2.667 481 G HA2 0.307 4.266 3.960 -0.001 0.000 0.250 481 G HA3 0.307 4.266 3.960 -0.001 0.000 0.250 481 G C -2.280 172.685 174.900 0.108 0.000 1.212 481 G CA -0.930 44.317 45.100 0.246 0.000 0.874 481 G HN 0.363 nan 8.290 nan 0.000 0.561 482 P HA 0.209 nan 4.420 nan 0.000 0.273 482 P C 0.106 177.333 177.300 -0.123 0.000 1.258 482 P CA -0.029 62.943 63.100 -0.213 0.000 0.802 482 P CB 0.599 32.062 31.700 -0.395 0.000 1.040 483 C N -1.871 117.337 119.300 -0.154 0.000 3.285 483 C HA 0.706 5.166 4.460 -0.001 0.000 0.325 483 C C -1.718 173.296 174.990 0.041 0.000 1.304 483 C CA -0.722 58.277 59.018 -0.033 0.000 1.319 483 C CB 0.696 28.458 27.740 0.036 0.000 1.640 483 C HN 0.604 nan 8.230 nan 0.000 0.477 484 Y N 1.717 121.975 120.300 -0.070 0.000 2.379 484 Y HA 0.491 5.041 4.550 -0.001 0.000 0.342 484 Y C 0.338 176.224 175.900 -0.023 0.000 1.126 484 Y CA -0.327 57.740 58.100 -0.054 0.000 1.310 484 Y CB 0.512 38.947 38.460 -0.042 0.000 1.115 484 Y HN 1.055 nan 8.280 nan 0.000 0.505 485 R N 3.693 124.076 120.500 -0.195 0.000 2.500 485 R HA 0.018 4.357 4.340 -0.001 0.000 0.281 485 R C -0.476 175.747 176.300 -0.129 0.000 0.953 485 R CA 0.807 56.825 56.100 -0.137 0.000 1.108 485 R CB 0.495 30.702 30.300 -0.155 0.000 0.901 485 R HN 0.609 nan 8.270 nan 0.000 0.410 486 Q N 2.314 122.072 119.800 -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 54.811 55.803 -0.088 0.000 0.861 486 Q CB 1.833 30.515 28.738 -0.093 0.000 1.344 486 Q HN 0.515 nan 8.270 nan 0.000 0.452 487 Q N 1.230 120.963 119.800 -0.111 0.000 2.327 487 Q HA 0.139 4.479 4.340 -0.001 0.000 0.254 487 Q C -0.760 175.178 176.000 -0.103 0.000 0.952 487 Q CA 0.149 55.902 55.803 -0.083 0.000 0.884 487 Q CB 0.752 29.487 28.738 -0.005 0.000 1.224 487 Q HN 0.386 nan 8.270 nan 0.000 0.422 488 R N 3.128 123.569 120.500 -0.098 0.000 2.308 488 R HA 0.420 4.759 4.340 -0.001 0.000 0.305 488 R C -1.217 175.044 176.300 -0.066 0.000 1.053 488 R CA -0.385 55.653 56.100 -0.104 0.000 0.957 488 R CB 0.296 30.513 30.300 -0.139 0.000 1.022 488 R HN 0.531 nan 8.270 nan 0.000 0.461 489 L N 2.079 123.182 121.223 -0.200 0.000 2.354 489 L HA 0.429 4.769 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 -0.172 54.533 54.840 -0.225 0.000 0.819 489 L CB 2.040 43.693 42.059 -0.676 0.000 1.311 489 L HN 0.586 nan 8.230 nan 0.000 0.423 490 S N 0.229 115.992 115.700 0.104 0.000 2.549 490 S HA 0.435 4.905 4.470 -0.001 0.000 0.297 490 S C 0.770 175.453 174.600 0.137 0.000 1.115 490 S CA -0.578 57.638 58.200 0.026 0.000 1.059 490 S CB 1.040 64.211 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 0.026 4.346 4.320 -0.001 0.000 0.201 491 K C 0.225 176.835 176.600 0.017 0.000 1.048 491 K CA 0.693 57.034 56.287 0.091 0.000 0.956 491 K CB -0.225 32.273 32.500 -0.002 0.000 0.746 491 K HN 0.496 nan 8.250 nan 0.000 0.461 492 T N 1.870 116.406 114.554 -0.031 0.000 2.738 492 T HA 0.179 4.529 4.350 -0.001 0.000 0.293 492 T C 0.595 175.306 174.700 0.018 0.000 0.913 492 T CA -0.288 61.798 62.100 -0.022 0.000 1.103 492 T CB 1.235 70.073 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 0.047 4.367 4.320 -0.001 0.000 0.222 493 A C 1.612 179.222 177.584 0.043 0.000 1.317 493 A CA 0.094 52.156 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 -2.651 116.075 118.700 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 0.099 38.604 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 0.182 176.551 176.300 0.115 0.000 0.962 495 D CA 0.672 54.731 54.000 0.099 0.000 0.865 495 D CB 0.014 40.894 40.800 0.132 0.000 0.939 495 D HN 0.268 nan 8.370 nan 0.000 0.510 496 N N 1.111 119.884 118.700 0.121 0.000 2.445 496 N HA 0.013 4.753 4.740 -0.001 0.000 0.264 496 N C 0.061 175.645 175.510 0.123 0.000 1.227 496 N CA -0.275 52.866 53.050 0.151 0.000 0.963 496 N CB 0.394 39.010 38.487 0.214 0.000 1.188 496 N HN 0.027 nan 8.380 nan 0.000 0.491 497 N N 0.859 119.628 118.700 0.116 0.000 2.492 497 N HA -0.088 4.652 4.740 -0.001 0.000 0.262 497 N C -0.258 175.340 175.510 0.148 0.000 1.202 497 N CA 0.235 53.325 53.050 0.066 0.000 0.926 497 N CB 0.086 38.525 38.487 -0.079 0.000 1.078 497 N HN 0.450 nan 8.380 nan 0.000 0.454 498 N N 1.877 120.633 118.700 0.093 0.000 3.193 498 N HA -0.024 4.715 4.740 -0.001 0.000 0.312 498 N C -1.038 174.538 175.510 0.110 0.000 1.261 498 N CA -0.164 52.943 53.050 0.095 0.000 1.208 498 N CB -0.123 38.399 38.487 0.058 0.000 1.471 498 N HN 0.493 nan 8.380 nan 0.000 0.548 499 S N 0.312 116.125 115.700 0.188 0.000 2.537 499 S HA 0.196 4.665 4.470 -0.001 0.000 0.270 499 S C -0.953 173.835 174.600 0.313 0.000 1.142 499 S CA -1.124 57.202 58.200 0.209 0.000 0.870 499 S CB 1.428 64.733 63.200 0.174 0.000 1.112 499 S HN 0.245 nan 8.310 nan 0.000 0.466 500 N N 1.338 120.150 118.700 0.187 0.000 2.439 500 N HA 0.430 5.170 4.740 -0.001 0.000 0.243 500 N C -0.397 175.209 175.510 0.161 0.000 1.088 500 N CA -0.845 52.260 53.050 0.091 0.000 0.940 500 N CB -0.315 38.199 38.487 0.044 0.000 1.180 500 N HN 0.677 nan 8.380 nan 0.000 0.505 501 F N 1.792 121.781 119.950 0.065 0.000 2.805 501 F HA 0.550 5.076 4.527 -0.001 0.000 0.317 501 F C -2.022 173.838 175.800 0.100 0.000 1.146 501 F CA -1.598 56.444 58.000 0.070 0.000 1.265 501 F CB 0.670 39.690 39.000 0.032 0.000 0.992 501 F HN 0.242 nan 8.300 nan 0.000 0.511 502 P HA -0.035 nan 4.420 nan 0.000 0.249 502 P C 0.616 178.062 177.300 0.244 0.000 1.241 502 P CA 1.005 64.109 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 -0.522 120.803 121.300 0.042 0.000 3.900 503 W HA 0.027 4.687 4.660 -0.001 0.000 0.186 503 W C 0.503 177.062 176.519 0.066 0.000 1.082 503 W CA 0.662 58.033 57.345 0.042 0.000 1.537 503 W CB 0.019 29.483 29.460 0.008 0.000 0.639 503 W HN -0.108 nan 8.180 nan 0.000 0.912 504 T N -0.684 113.933 114.554 0.106 0.000 3.100 504 T HA 0.346 4.696 4.350 -0.001 0.000 0.253 504 T C 1.165 175.864 174.700 -0.001 0.000 1.118 504 T CA 0.954 63.056 62.100 0.003 0.000 1.058 504 T CB 0.365 69.305 68.868 0.120 0.000 0.953 504 T HN 0.084 nan 8.240 nan 0.000 0.515 505 A N 0.206 123.074 122.820 0.080 0.000 2.600 505 A HA 0.831 5.151 4.320 -0.001 0.000 0.252 505 A C 0.993 178.625 177.584 0.080 0.000 1.200 505 A CA -0.024 52.062 52.037 0.081 0.000 0.981 505 A CB 0.147 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 0.297 123.161 122.820 0.074 0.000 2.302 506 A HA 0.629 4.949 4.320 -0.001 0.000 0.285 506 A C 0.365 177.981 177.584 0.053 0.000 1.105 506 A CA -0.181 51.930 52.037 0.124 0.000 0.816 506 A CB 0.250 19.415 19.000 0.275 0.000 1.067 506 A HN 0.299 nan 8.150 nan 0.000 0.489 507 S N 1.393 117.171 115.700 0.130 0.000 2.510 507 S HA 0.380 4.850 4.470 -0.001 0.000 0.279 507 S C -0.007 174.718 174.600 0.208 0.000 1.284 507 S CA -0.161 58.132 58.200 0.156 0.000 1.059 507 S CB -0.001 63.322 63.200 0.203 0.000 0.901 507 S HN 0.636 nan 8.310 nan 0.000 0.491 508 K N 1.666 122.148 120.400 0.135 0.000 2.509 508 K HA 0.599 4.919 4.320 -0.001 0.000 0.266 508 K C -1.350 175.327 176.600 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 -1.517 118.815 120.300 0.053 0.000 2.630 509 Y HA 0.620 5.169 4.550 -0.001 0.000 0.337 509 Y C -0.691 175.284 175.900 0.125 0.000 1.051 509 Y CA -1.022 57.117 58.100 0.065 0.000 1.121 509 Y CB 1.533 39.981 38.460 -0.019 0.000 1.299 509 Y HN 0.751 nan 8.280 nan 0.000 0.498 510 H N 1.744 120.954 119.070 0.234 0.000 2.865 510 H HA 0.627 5.183 4.556 -0.001 0.000 0.362 510 H C -2.393 173.064 175.328 0.216 0.000 1.114 510 H CA -1.182 54.948 56.048 0.137 0.000 1.208 510 H CB 1.615 31.412 29.762 0.059 0.000 1.727 510 H HN 0.885 nan 8.280 nan 0.000 0.534 511 L N 3.499 124.765 121.223 0.072 0.000 2.385 511 L HA 0.236 4.576 4.340 -0.001 0.000 0.273 511 L C 0.545 177.466 176.870 0.085 0.000 0.990 511 L CA -0.850 53.989 54.840 -0.001 0.000 0.821 511 L CB 1.546 43.672 42.059 0.111 0.000 1.279 511 L HN 0.839 nan 8.230 nan 0.000 0.412 512 N N 2.374 121.108 118.700 0.056 0.000 2.741 512 N HA -0.185 4.554 4.740 -0.001 0.000 0.250 512 N C 0.697 176.307 175.510 0.166 0.000 1.115 512 N CA 1.331 54.441 53.050 0.101 0.000 0.724 512 N CB -0.613 37.928 38.487 0.091 0.000 1.090 512 N HN 1.123 nan 8.380 nan 0.000 0.558 513 G N -0.358 108.628 108.800 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 -0.146 174.901 174.900 0.244 0.000 1.022 513 G CA 0.525 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 0.495 121.166 120.500 0.284 0.000 2.451 514 R HA 0.370 4.710 4.340 -0.001 0.000 0.307 514 R C -1.137 175.277 176.300 0.190 0.000 0.965 514 R CA -0.842 55.379 56.100 0.201 0.000 0.865 514 R CB 0.764 31.165 30.300 0.169 0.000 1.174 514 R HN 0.088 nan 8.270 nan 0.000 0.455 515 D N 1.753 122.254 120.400 0.168 0.000 2.425 515 D HA 0.134 4.774 4.640 -0.001 0.000 0.247 515 D C -0.710 175.618 176.300 0.048 0.000 1.147 515 D CA 0.807 54.870 54.000 0.104 0.000 0.879 515 D CB 1.492 42.377 40.800 0.142 0.000 1.179 515 D HN 0.374 nan 8.370 nan 0.000 0.456 516 S N 1.526 117.063 115.700 -0.272 0.000 2.571 516 S HA 0.285 4.755 4.470 -0.001 0.000 0.284 516 S C -0.614 173.706 174.600 -0.467 0.000 1.128 516 S CA -0.760 57.203 58.200 -0.396 0.000 0.970 516 S CB 1.799 64.572 63.200 -0.711 0.000 1.039 516 S HN 0.293 nan 8.310 nan 0.000 0.485 517 L N 3.925 125.068 121.223 -0.134 0.000 2.418 517 L HA 0.337 4.677 4.340 -0.001 0.000 0.274 517 L C -0.359 176.472 176.870 -0.065 0.000 1.135 517 L CA 0.112 54.893 54.840 -0.099 0.000 0.870 517 L CB 0.533 42.574 42.059 -0.030 0.000 1.154 517 L HN 0.522 nan 8.230 nan 0.000 0.462 518 V N 6.897 126.844 119.914 0.055 0.000 2.242 518 V HA 0.025 4.145 4.120 -0.001 0.000 0.242 518 V C 1.237 177.420 176.094 0.148 0.000 1.240 518 V CA 0.024 62.441 62.300 0.194 0.000 1.211 518 V CB -0.688 31.291 31.823 0.259 0.000 1.338 518 V HN 0.918 nan 8.190 nan 0.000 0.499 519 N N 6.360 125.080 118.700 0.033 0.000 2.054 519 N HA 0.011 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 0.797 53.861 53.050 0.023 0.000 0.853 519 N CB -0.424 38.034 38.487 -0.047 0.000 1.048 519 N HN 0.366 nan 8.380 nan 0.000 0.431 520 P HA 0.277 nan 4.420 nan 0.000 0.251 520 P C -0.242 177.136 177.300 0.131 0.000 1.718 520 P CA -0.378 62.810 63.100 0.146 0.000 1.119 520 P CB 0.810 32.575 31.700 0.108 0.000 1.762 521 G N 4.636 113.527 108.800 0.152 0.000 2.479 521 G HA2 0.234 4.194 3.960 -0.001 0.000 0.275 521 G HA3 0.234 4.194 3.960 -0.001 0.000 0.275 521 G C -2.250 172.690 174.900 0.066 0.000 1.421 521 G CA -1.197 43.962 45.100 0.100 0.000 1.059 521 G HN 0.216 nan 8.290 nan 0.000 0.535 522 P HA 0.204 nan 4.420 nan 0.000 0.269 522 P C -0.182 177.143 177.300 0.042 0.000 1.205 522 P CA 0.275 63.369 63.100 -0.010 0.000 0.780 522 P CB 0.312 31.971 31.700 -0.067 0.000 0.858 523 A N 3.541 126.389 122.820 0.046 0.000 2.473 523 A HA 0.357 4.677 4.320 -0.001 0.000 0.282 523 A C 0.124 177.761 177.584 0.089 0.000 1.163 523 A CA 0.363 52.458 52.037 0.097 0.000 0.827 523 A CB -0.973 18.113 19.000 0.143 0.000 1.098 523 A HN 0.421 nan 8.150 nan 0.000 0.515 524 M N 2.064 121.721 119.600 0.096 0.000 2.644 524 M HA 0.588 5.067 4.480 -0.001 0.000 0.304 524 M C 0.234 176.589 176.300 0.090 0.000 1.215 524 M CA -0.546 54.807 55.300 0.089 0.000 0.871 524 M CB 2.241 34.891 32.600 0.083 0.000 1.740 524 M HN 0.636 nan 8.290 nan 0.000 0.464 525 A N 0.893 123.755 122.820 0.070 0.000 2.425 525 A HA 0.355 4.675 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 -0.259 51.809 52.037 0.051 0.000 0.781 525 A CB 0.262 19.265 19.000 0.004 0.000 1.019 525 A HN 0.924 nan 8.150 nan 0.000 0.490 526 S N 0.647 116.413 115.700 0.109 0.000 2.371 526 S HA -0.008 4.462 4.470 -0.001 0.000 0.224 526 S C 0.748 175.512 174.600 0.273 0.000 1.029 526 S CA 1.508 59.839 58.200 0.219 0.000 0.978 526 S CB -0.280 63.120 63.200 0.335 0.000 0.833 526 S HN 0.956 nan 8.310 nan 0.000 0.466 527 H N 0.280 119.418 119.070 0.114 0.000 3.016 527 H HA 0.507 5.063 4.556 -0.001 0.000 0.362 527 H C -1.033 174.346 175.328 0.085 0.000 1.233 527 H CA -1.211 54.907 56.048 0.116 0.000 1.124 527 H CB 0.948 30.807 29.762 0.162 0.000 1.850 527 H HN 0.130 nan 8.280 nan 0.000 0.549 528 K N 0.989 121.451 120.400 0.103 0.000 2.117 528 K HA 0.200 4.519 4.320 -0.001 0.000 0.240 528 K C -0.621 176.034 176.600 0.091 0.000 1.031 528 K CA -0.692 55.614 56.287 0.032 0.000 0.909 528 K CB 0.610 33.131 32.500 0.035 0.000 1.097 528 K HN 0.342 nan 8.250 nan 0.000 0.492 529 D N 1.080 121.512 120.400 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 0.225 41.051 40.800 0.043 0.000 1.195 529 D HN 0.602 nan 8.370 nan 0.000 0.443 530 D N 1.362 121.843 120.400 0.136 0.000 2.835 530 D HA -0.156 4.484 4.640 -0.001 0.000 0.230 530 D C 0.585 176.970 176.300 0.142 0.000 1.130 530 D CA 0.860 54.930 54.000 0.117 0.000 0.738 530 D CB -0.650 40.199 40.800 0.082 0.000 1.090 530 D HN 0.599 nan 8.370 nan 0.000 0.433 531 E N -0.549 119.770 120.200 0.198 0.000 3.555 531 E HA 0.085 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 -0.144 56.371 56.400 0.192 0.000 1.353 531 E CB 0.343 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 0.891 121.003 120.200 -0.146 0.000 2.586 532 E HA -0.257 4.092 4.350 -0.001 0.000 0.259 532 E C 0.263 176.675 176.600 -0.312 0.000 1.107 532 E CA 1.452 57.528 56.400 -0.540 0.000 0.754 532 E CB -1.135 28.458 29.700 -0.179 0.000 1.335 532 E HN 0.391 nan 8.360 nan 0.000 0.411 533 K N -1.822 118.435 120.400 -0.239 0.000 2.574 533 K HA 0.161 4.481 4.320 -0.001 0.000 0.215 533 K C 0.040 176.497 176.600 -0.240 0.000 1.485 533 K CA -0.160 55.969 56.287 -0.263 0.000 1.006 533 K CB 0.207 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 3.563 123.538 119.950 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 0.137 0.000 1.124 534 F CA -1.312 56.731 58.000 0.072 0.000 1.149 534 F CB 0.591 39.609 39.000 0.030 0.000 1.160 534 F HN 0.014 nan 8.300 nan 0.000 0.501 535 F N 3.163 123.208 119.950 0.158 0.000 2.470 535 F HA 0.827 5.353 4.527 -0.001 0.000 0.329 535 F C -3.008 172.861 175.800 0.115 0.000 1.072 535 F CA -3.622 54.452 58.000 0.123 0.000 0.989 535 F CB 0.497 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 0.109 nan 4.420 nan 0.000 0.271 536 P C -0.454 176.721 177.300 -0.208 0.000 1.218 536 P CA -0.427 62.613 63.100 -0.099 0.000 0.780 536 P CB 0.738 32.445 31.700 0.011 0.000 0.901 537 M N 4.984 124.404 119.600 -0.299 0.000 2.734 537 M HA -0.049 4.430 4.480 -0.001 0.000 0.356 537 M C 0.923 176.891 176.300 -0.553 0.000 1.790 537 M CA 0.720 55.831 55.300 -0.316 0.000 1.231 537 M CB -1.302 31.128 32.600 -0.283 0.000 2.102 537 M HN 0.559 nan 8.290 nan 0.000 0.463 538 H N 1.164 120.339 119.070 0.175 0.000 2.690 538 H HA -0.188 4.368 4.556 -0.001 0.000 0.309 538 H C 0.428 175.839 175.328 0.137 0.000 1.138 538 H CA 0.472 56.613 56.048 0.156 0.000 1.142 538 H CB -2.194 27.633 29.762 0.108 0.000 1.410 538 H HN 0.916 nan 8.280 nan 0.000 0.409 539 G N 0.915 109.780 108.800 0.109 0.000 3.262 539 G HA2 0.106 4.066 3.960 -0.001 0.000 0.228 539 G HA3 0.106 4.066 3.960 -0.001 0.000 0.228 539 G C 0.358 175.355 174.900 0.161 0.000 1.197 539 G CA 0.326 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 -1.198 117.600 118.700 0.163 0.000 3.322 540 N HA 0.112 4.852 4.740 -0.001 0.000 0.233 540 N C -1.729 173.797 175.510 0.027 0.000 1.399 540 N CA -0.843 52.276 53.050 0.114 0.000 0.894 540 N CB 0.828 39.389 38.487 0.123 0.000 1.440 540 N HN -0.188 nan 8.380 nan 0.000 0.503 541 L N 0.799 121.985 121.223 -0.061 0.000 2.367 541 L HA 0.442 4.782 4.340 -0.001 0.000 0.275 541 L C 0.060 176.664 176.870 -0.444 0.000 1.129 541 L CA 0.132 54.812 54.840 -0.267 0.000 0.839 541 L CB 0.145 42.000 42.059 -0.339 0.000 1.133 541 L HN 0.473 nan 8.230 nan 0.000 0.453 542 I N 3.741 124.043 120.570 -0.447 0.000 2.389 542 I HA 0.343 4.513 4.170 -0.001 0.000 0.288 542 I C -0.662 175.189 176.117 -0.444 0.000 0.999 542 I CA -0.408 60.671 61.300 -0.368 0.000 1.129 542 I CB 1.013 38.901 38.000 -0.187 0.000 1.288 542 I HN 0.308 nan 8.210 nan 0.000 0.444 543 F N 3.082 122.988 119.950 -0.074 0.000 2.422 543 F HA 0.579 5.106 4.527 -0.001 0.000 0.333 543 F C 1.070 176.837 175.800 -0.054 0.000 1.095 543 F CA -0.643 57.326 58.000 -0.052 0.000 1.038 543 F CB 1.655 40.625 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 0.149 0.000 2.353 544 G HA2 0.338 4.297 3.960 -0.001 0.000 0.284 544 G HA3 0.338 4.297 3.960 -0.001 0.000 0.284 544 G C -0.566 174.360 174.900 0.043 0.000 1.172 544 G CA -0.744 44.393 45.100 0.060 0.000 0.854 544 G HN 0.545 nan 8.290 nan 0.000 0.485 545 K N 0.790 121.190 120.400 0.001 0.000 2.286 545 K HA 0.063 4.383 4.320 -0.001 0.000 0.256 545 K C 0.314 176.893 176.600 -0.034 0.000 0.999 545 K CA -0.177 56.089 56.287 -0.035 0.000 0.908 545 K CB 0.651 33.119 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 4.431 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 57.458 56.400 -0.048 0.000 0.915 546 E CB 0.308 29.963 29.700 -0.075 0.000 0.951 546 E HN 0.636 nan 8.360 nan 0.000 0.449 547 G N 3.569 112.357 108.800 -0.019 0.000 2.540 547 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.260 547 G HA3 -0.171 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 0.255 45.344 45.100 -0.017 0.000 1.327 547 G HN 0.612 nan 8.290 nan 0.000 0.485 548 T N 1.204 115.751 114.554 -0.012 0.000 3.705 548 T HA 0.433 4.783 4.350 -0.001 0.000 0.342 548 T C 0.376 175.071 174.700 -0.009 0.000 1.043 548 T CA -0.104 61.988 62.100 -0.014 0.000 1.071 548 T CB 1.198 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 2.384 116.931 114.554 -0.011 0.000 2.906 549 T HA 0.211 4.561 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 69.318 68.868 -0.013 0.000 1.035 549 T HN 0.758 nan 8.240 nan 0.000 0.547 550 A N 1.961 124.774 122.820 -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 0.357 116.044 115.700 -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 57.512 58.200 -0.026 0.000 1.113 551 S CB -0.433 62.751 63.200 -0.026 0.000 0.976 551 S HN 0.557 nan 8.310 nan 0.000 0.462 552 N N 2.243 120.927 118.700 -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 37.934 38.487 -0.024 0.000 0.923 552 N HN 0.657 nan 8.380 nan 0.000 0.552 553 A N 0.794 123.600 122.820 -0.022 0.000 2.252 553 A HA 0.579 4.898 4.320 -0.001 0.000 0.305 553 A C 0.465 178.035 177.584 -0.024 0.000 1.097 553 A CA -0.392 51.632 52.037 -0.022 0.000 0.849 553 A CB 0.769 19.756 19.000 -0.023 0.000 1.142 553 A HN 0.464 nan 8.150 nan 0.000 0.499 554 E N -0.715 119.470 120.200 -0.025 0.000 2.374 554 E HA 0.244 4.594 4.350 -0.001 0.000 0.260 554 E C 0.842 177.422 176.600 -0.034 0.000 1.101 554 E CA -0.268 56.116 56.400 -0.026 0.000 0.907 554 E CB 0.700 30.384 29.700 -0.025 0.000 1.014 554 E HN 0.513 nan 8.360 nan 0.000 0.427 555 L N 2.077 123.280 121.223 -0.034 0.000 2.191 555 L HA -0.067 4.273 4.340 -0.001 0.000 0.212 555 L C 0.688 177.522 176.870 -0.060 0.000 1.103 555 L CA 1.808 56.618 54.840 -0.050 0.000 0.769 555 L CB -0.096 41.939 42.059 -0.039 0.000 0.908 555 L HN 0.522 nan 8.230 nan 0.000 0.438 556 D N -0.702 119.669 120.400 -0.048 0.000 2.328 556 D HA -0.003 4.636 4.640 -0.001 0.000 0.226 556 D C 0.815 177.086 176.300 -0.048 0.000 1.066 556 D CA 0.275 54.245 54.000 -0.049 0.000 0.861 556 D CB -0.018 40.757 40.800 -0.041 0.000 0.912 556 D HN 0.374 nan 8.370 nan 0.000 0.521 557 N N 0.042 118.714 118.700 -0.047 0.000 2.184 557 N HA 0.037 4.777 4.740 -0.001 0.000 0.206 557 N C -0.016 175.469 175.510 -0.041 0.000 1.151 557 N CA 0.057 53.081 53.050 -0.042 0.000 0.878 557 N CB 1.670 40.136 38.487 -0.035 0.000 1.014 557 N HN 0.072 nan 8.380 nan 0.000 0.512 558 V N -2.181 117.702 119.914 -0.051 0.000 3.074 558 V HA 0.660 4.780 4.120 -0.001 0.000 0.314 558 V C -0.411 175.648 176.094 -0.057 0.000 1.117 558 V CA -0.985 61.286 62.300 -0.049 0.000 1.014 558 V CB 2.513 34.296 31.823 -0.066 0.000 1.057 558 V HN -0.181 nan 8.190 nan 0.000 0.438 559 M N 3.273 122.856 119.600 -0.028 0.000 2.043 559 M HA 0.583 5.063 4.480 -0.001 0.000 0.322 559 M C -0.999 175.271 176.300 -0.050 0.000 0.962 559 M CA -0.145 55.144 55.300 -0.018 0.000 0.927 559 M CB 1.534 34.165 32.600 0.051 0.000 1.466 559 M HN 0.561 nan 8.290 nan 0.000 0.412 560 I N 2.603 123.100 120.570 -0.122 0.000 2.365 560 I HA 0.325 4.495 4.170 -0.001 0.000 0.291 560 I C 0.630 176.688 176.117 -0.097 0.000 1.004 560 I CA -0.661 60.534 61.300 -0.174 0.000 1.311 560 I CB 1.458 39.251 38.000 -0.345 0.000 1.401 560 I HN 0.597 nan 8.210 nan 0.000 0.491 561 T N 0.517 115.014 114.554 -0.094 0.000 2.806 561 T HA 0.279 4.629 4.350 -0.001 0.000 0.290 561 T C -0.490 174.253 174.700 0.071 0.000 0.966 561 T CA -0.839 61.223 62.100 -0.064 0.000 1.060 561 T CB 1.610 70.312 68.868 -0.276 0.000 0.927 561 T HN 0.409 nan 8.240 nan 0.000 0.485 562 D N 1.942 122.432 120.400 0.149 0.000 2.329 562 D HA 0.183 4.823 4.640 -0.001 0.000 0.232 562 D C -0.121 176.327 176.300 0.246 0.000 1.088 562 D CA -0.509 53.621 54.000 0.216 0.000 0.835 562 D CB 0.914 41.850 40.800 0.227 0.000 1.078 562 D HN 0.447 nan 8.370 nan 0.000 0.495 563 E N 3.335 123.671 120.200 0.226 0.000 2.360 563 E HA 0.058 4.408 4.350 -0.001 0.000 0.253 563 E C 0.054 176.714 176.600 0.100 0.000 1.189 563 E CA -0.056 56.453 56.400 0.181 0.000 1.252 563 E CB 0.239 30.046 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 29.960 29.700 -0.070 0.000 1.060 564 E HN -0.036 nan 8.360 nan 0.000 0.460 565 E N 0.739 120.936 120.200 -0.004 0.000 2.431 565 E HA 0.136 4.485 4.350 -0.001 0.000 0.200 565 E C 1.480 178.070 176.600 -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 -1.984 118.590 120.570 0.006 0.000 3.858 566 I HA 0.290 4.460 4.170 -0.001 0.000 0.325 566 I C 1.030 177.170 176.117 0.039 0.000 1.403 566 I CA -0.185 61.137 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 1.413 121.920 120.500 0.012 0.000 2.152 567 R HA -0.088 4.251 4.340 -0.001 0.000 0.232 567 R C 2.185 178.490 176.300 0.009 0.000 1.117 567 R CA 1.988 58.086 56.100 -0.004 0.000 0.981 567 R CB -0.369 29.911 30.300 -0.033 0.000 0.870 567 R HN 0.649 nan 8.270 nan 0.000 0.451 568 T N -3.211 111.357 114.554 0.024 0.000 3.067 568 T HA -0.010 4.340 4.350 -0.001 0.000 0.257 568 T C 1.710 176.400 174.700 -0.015 0.000 1.105 568 T CA 1.138 63.242 62.100 0.006 0.000 1.104 568 T CB 0.216 69.094 68.868 0.017 0.000 0.925 568 T HN 0.304 nan 8.240 nan 0.000 0.498 569 T N -1.900 112.662 114.554 0.014 0.000 2.955 569 T HA 0.317 4.667 4.350 -0.001 0.000 0.251 569 T C 0.359 175.112 174.700 0.089 0.000 1.002 569 T CA -0.539 61.573 62.100 0.020 0.000 0.970 569 T CB -0.270 68.600 68.868 0.003 0.000 1.091 569 T HN 0.383 nan 8.240 nan 0.000 0.495 570 N N 2.198 120.949 118.700 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 2.022 40.577 38.487 0.112 0.000 1.288 570 N HN 0.058 nan 8.380 nan 0.000 0.493 571 P HA 0.054 nan 4.420 nan 0.000 0.272 571 P C -0.674 176.664 177.300 0.063 0.000 1.223 571 P CA -0.378 62.768 63.100 0.077 0.000 0.784 571 P CB 0.617 32.421 31.700 0.174 0.000 0.923 572 V N 1.970 121.906 119.914 0.037 0.000 2.572 572 V HA 0.115 4.234 4.120 -0.001 0.000 0.291 572 V C 1.719 177.839 176.094 0.042 0.000 1.039 572 V CA 0.532 62.852 62.300 0.033 0.000 1.055 572 V CB -0.037 31.794 31.823 0.014 0.000 0.969 572 V HN 0.721 nan 8.190 nan 0.000 0.482 573 A N 4.258 127.109 122.820 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 2.402 54.465 52.037 0.045 0.000 0.627 573 A CB -0.693 18.342 19.000 0.060 0.000 0.818 573 A HN 1.015 nan 8.150 nan 0.000 0.445 574 T N -2.696 111.857 114.554 -0.002 0.000 3.009 574 T HA 0.072 4.422 4.350 -0.001 0.000 0.258 574 T C 0.815 175.484 174.700 -0.051 0.000 1.063 574 T CA 0.393 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 2.375 122.555 120.200 -0.032 0.000 2.397 575 E HA 0.174 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 -0.207 56.171 56.400 -0.036 0.000 0.954 575 E CB 0.474 30.157 29.700 -0.028 0.000 1.024 575 E HN 0.769 nan 8.360 nan 0.000 0.481 576 Q N -0.350 119.441 119.800 -0.016 0.000 2.492 576 Q HA 0.016 4.356 4.340 -0.001 0.000 0.184 576 Q C 0.680 176.725 176.000 0.075 0.000 1.126 576 Q CA -0.038 55.774 55.803 0.015 0.000 1.196 576 Q CB 0.117 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 -1.537 118.740 120.300 -0.038 0.000 2.609 577 Y HA 0.429 4.979 4.550 -0.001 0.000 0.281 577 Y C 0.536 176.424 175.900 -0.020 0.000 1.132 577 Y CA 1.082 59.166 58.100 -0.026 0.000 1.264 577 Y CB 1.219 39.662 38.460 -0.027 0.000 1.325 577 Y HN 0.865 nan 8.280 nan 0.000 0.514 578 G N -0.984 107.827 108.800 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 -1.432 173.477 174.900 0.015 0.000 1.236 578 G CA -0.380 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 0.089 114.646 114.554 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 -0.320 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 0.829 nan 8.240 nan 0.000 0.446 580 V N 1.678 121.609 119.914 0.028 0.000 2.789 580 V HA 0.804 4.924 4.120 -0.001 0.000 0.311 580 V C 0.112 176.216 176.094 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 3.053 125.883 122.820 0.017 0.000 2.322 581 A HA 0.704 5.024 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 0.173 19.181 19.000 0.014 0.000 1.047 581 A HN 1.094 nan 8.150 nan 0.000 0.487 582 N N 1.192 119.895 118.700 0.006 0.000 2.604 582 N HA 0.125 4.865 4.740 -0.001 0.000 0.284 582 N C -1.237 174.275 175.510 0.003 0.000 1.716 582 N CA -0.404 52.649 53.050 0.004 0.000 0.859 582 N CB 0.111 38.599 38.487 0.002 0.000 1.403 582 N HN 0.743 nan 8.380 nan 0.000 0.501 583 N N -0.249 118.453 118.700 0.004 0.000 3.322 583 N HA 0.146 4.886 4.740 -0.001 0.000 0.233 583 N C -1.739 173.774 175.510 0.005 0.000 1.399 583 N CA -0.580 52.472 53.050 0.004 0.000 0.894 583 N CB 0.601 39.089 38.487 0.002 0.000 1.440 583 N HN 0.048 nan 8.380 nan 0.000 0.503 584 L N 1.556 122.782 121.223 0.005 0.000 2.352 584 L HA 0.247 4.586 4.340 -0.001 0.000 0.272 584 L C 0.403 177.276 176.870 0.005 0.000 1.109 584 L CA -0.846 53.998 54.840 0.006 0.000 0.952 584 L CB 0.224 42.287 42.059 0.006 0.000 1.314 584 L HN 0.622 nan 8.230 nan 0.000 0.427 585 Q N 2.557 122.360 119.800 0.005 0.000 2.386 585 Q HA 0.416 4.756 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 -0.042 55.763 55.803 0.003 0.000 0.918 585 Q CB 1.174 29.914 28.738 0.003 0.000 1.266 585 Q HN 0.586 nan 8.270 nan 0.000 0.423 586 S N 0.134 115.834 115.700 0.000 0.000 2.694 586 S HA 0.340 4.809 4.470 -0.001 0.000 0.273 586 S C 0.409 175.008 174.600 -0.002 0.000 1.180 586 S CA -0.337 57.863 58.200 -0.000 0.000 0.864 586 S CB 0.071 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 1.175 116.873 115.700 -0.003 0.000 2.419 587 S HA -0.106 4.364 4.470 -0.001 0.000 0.233 587 S C 1.189 175.787 174.600 -0.004 0.000 1.016 587 S CA 1.295 59.492 58.200 -0.004 0.000 0.974 587 S CB -0.870 62.328 63.200 -0.004 0.000 0.786 587 S HN 0.639 nan 8.310 nan 0.000 0.492 588 N N 1.218 119.916 118.700 -0.002 0.000 2.395 588 N HA 0.092 4.831 4.740 -0.001 0.000 0.175 588 N C -0.114 175.394 175.510 -0.003 0.000 1.029 588 N CA 0.758 53.806 53.050 -0.002 0.000 0.897 588 N CB 0.041 38.527 38.487 -0.002 0.000 0.991 588 N HN 0.386 nan 8.380 nan 0.000 0.441 589 T N 0.393 114.946 114.554 -0.002 0.000 2.841 589 T HA 0.619 4.969 4.350 -0.001 0.000 0.283 589 T C -0.465 174.233 174.700 -0.003 0.000 1.000 589 T CA -0.746 61.353 62.100 -0.002 0.000 0.977 589 T CB 2.462 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 4.737 127.555 122.820 -0.003 0.000 2.331 590 A HA 0.673 4.993 4.320 -0.001 0.000 0.283 590 A C -2.241 175.341 177.584 -0.003 0.000 1.142 590 A CA -1.664 50.371 52.037 -0.004 0.000 0.812 590 A CB -0.182 18.815 19.000 -0.005 0.000 1.074 590 A HN 0.558 nan 8.150 nan 0.000 0.497 591 P HA 0.109 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 0.496 63.596 63.100 -0.001 0.000 0.763 591 P CB 0.418 32.118 31.700 -0.000 0.000 0.810 592 T N 2.247 116.800 114.554 -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 3.108 117.660 114.554 -0.003 0.000 2.856 593 T HA 0.558 4.908 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 2.131 122.631 120.500 -0.000 0.000 2.480 594 R HA 0.363 4.703 4.340 -0.001 0.000 0.306 594 R C -0.931 175.371 176.300 0.003 0.000 0.958 594 R CA -0.472 55.627 56.100 -0.002 0.000 0.861 594 R CB 1.381 31.680 30.300 -0.000 0.000 1.171 594 R HN 0.616 nan 8.270 nan 0.000 0.445 595 T N 3.676 118.227 114.554 -0.005 0.000 2.738 595 T HA 0.054 4.404 4.350 -0.001 0.000 0.293 595 T C 0.044 174.748 174.700 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 5.470 125.407 119.914 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 -0.157 62.168 62.300 0.043 0.000 0.976 596 V CB 0.444 32.330 31.823 0.106 0.000 0.993 596 V HN 0.805 nan 8.190 nan 0.000 0.475 597 N N 4.341 123.021 118.700 -0.035 0.000 2.294 597 N HA 0.158 4.897 4.740 -0.001 0.000 0.186 597 N C -0.428 175.002 175.510 -0.134 0.000 1.107 597 N CA 0.185 53.189 53.050 -0.076 0.000 0.884 597 N CB 0.600 39.022 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 4.835 4.640 -0.001 0.000 0.241 598 D C -1.509 174.676 176.300 -0.191 0.000 1.277 598 D CA -0.363 53.548 54.000 -0.148 0.000 0.918 598 D CB 1.421 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 2.740 122.365 119.800 -0.292 0.000 2.309 599 Q HA 0.652 4.992 4.340 -0.001 0.000 0.270 599 Q C 0.099 175.920 176.000 -0.298 0.000 1.023 599 Q CA -0.740 54.815 55.803 -0.413 0.000 0.758 599 Q CB 1.634 29.787 28.738 -0.975 0.000 1.247 599 Q HN 0.525 nan 8.270 nan 0.000 0.455 600 G N 2.071 110.740 108.800 -0.219 0.000 2.479 600 G HA2 0.464 4.423 3.960 -0.001 0.000 0.275 600 G HA3 0.464 4.423 3.960 -0.001 0.000 0.275 600 G C -0.476 174.277 174.900 -0.244 0.000 1.421 600 G CA -0.092 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 -1.509 121.157 122.820 -0.257 0.000 2.304 601 A HA 0.715 5.035 4.320 -0.001 0.000 0.271 601 A C -0.404 177.157 177.584 -0.037 0.000 1.091 601 A CA -0.216 51.708 52.037 -0.189 0.000 0.812 601 A CB 0.496 19.331 19.000 -0.274 0.000 1.056 601 A HN 0.575 nan 8.150 nan 0.000 0.489 602 L N 0.883 122.146 121.223 0.067 0.000 2.482 602 L HA 0.361 4.701 4.340 -0.001 0.000 0.263 602 L C -2.588 174.386 176.870 0.173 0.000 0.957 602 L CA -1.846 53.057 54.840 0.105 0.000 0.836 602 L CB 2.646 44.763 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 0.683 63.880 63.100 0.163 0.000 0.810 603 P CB 0.456 32.224 31.700 0.113 0.000 0.815 604 G N 2.366 111.318 108.800 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 44.692 45.100 0.329 0.000 0.684 604 G HN 0.398 nan 8.290 nan 0.000 0.489 605 M N 1.337 121.145 119.600 0.347 0.000 2.233 605 M HA 0.521 5.001 4.480 -0.001 0.000 0.350 605 M C 0.470 177.002 176.300 0.387 0.000 1.176 605 M CA -0.211 55.317 55.300 0.380 0.000 1.150 605 M CB 1.542 34.379 32.600 0.394 0.000 1.530 605 M HN 0.481 nan 8.290 nan 0.000 0.459 606 V N 0.860 120.959 119.914 0.308 0.000 2.686 606 V HA 0.834 4.954 4.120 -0.001 0.000 0.306 606 V C -1.609 174.607 176.094 0.203 0.000 1.065 606 V CA -0.680 61.667 62.300 0.078 0.000 0.894 606 V CB 1.205 32.937 31.823 -0.150 0.000 1.004 606 V HN 1.076 nan 8.190 nan 0.000 0.424 607 W N 2.459 123.736 121.300 -0.038 0.000 3.029 607 W HA 0.886 5.546 4.660 -0.001 0.000 0.339 607 W C -1.017 175.482 176.519 -0.034 0.000 1.198 607 W CA -1.065 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 1.970 121.876 119.800 0.176 0.000 2.274 608 Q HA 0.308 4.648 4.340 -0.001 0.000 0.260 608 Q C -0.400 175.719 176.000 0.199 0.000 0.974 608 Q CA -0.264 55.585 55.803 0.076 0.000 0.876 608 Q CB 1.322 30.088 28.738 0.047 0.000 1.297 608 Q HN 0.410 nan 8.270 nan 0.000 0.446 609 D N 1.058 121.543 120.400 0.142 0.000 2.414 609 D HA 0.204 4.844 4.640 -0.001 0.000 0.259 609 D C 0.484 176.874 176.300 0.149 0.000 1.269 609 D CA -0.192 53.934 54.000 0.211 0.000 1.028 609 D CB 0.603 41.538 40.800 0.225 0.000 1.093 609 D HN 0.464 nan 8.370 nan 0.000 0.545 610 R N -0.303 120.302 120.500 0.175 0.000 3.213 610 R HA 0.246 4.585 4.340 -0.001 0.000 0.188 610 R C -0.267 176.142 176.300 0.181 0.000 0.931 610 R CA 0.079 56.282 56.100 0.172 0.000 1.218 610 R CB 0.026 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 -0.841 119.655 120.400 0.161 0.000 2.581 611 D HA 0.318 4.957 4.640 -0.001 0.000 0.232 611 D C -1.631 174.555 176.300 -0.189 0.000 1.143 611 D CA -0.557 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 0.243 nan 8.370 nan 0.000 0.458 612 V N 0.161 119.830 119.914 -0.408 0.000 2.483 612 V HA 0.693 4.813 4.120 -0.001 0.000 0.295 612 V C -1.079 174.839 176.094 -0.293 0.000 1.035 612 V CA -0.490 61.658 62.300 -0.252 0.000 0.896 612 V CB 0.757 32.395 31.823 -0.310 0.000 0.986 612 V HN 0.439 nan 8.190 nan 0.000 0.447 613 Y N 2.724 123.132 120.300 0.179 0.000 2.549 613 Y HA 0.580 5.130 4.550 -0.001 0.000 0.339 613 Y C 0.857 176.587 175.900 -0.284 0.000 1.053 613 Y CA -1.077 57.080 58.100 0.094 0.000 1.105 613 Y CB 1.517 40.064 38.460 0.145 0.000 1.258 613 Y HN 0.587 nan 8.280 nan 0.000 0.478 614 L N 1.412 122.285 121.223 -0.584 0.000 2.151 614 L HA -0.243 4.096 4.340 -0.001 0.000 0.215 614 L C 1.710 178.361 176.870 -0.366 0.000 1.084 614 L CA 2.052 56.192 54.840 -1.166 0.000 0.764 614 L CB -0.438 41.006 42.059 -1.026 0.000 0.891 614 L HN 0.825 nan 8.230 nan 0.000 0.435 615 Q N -1.384 118.303 119.800 -0.187 0.000 2.179 615 Q HA 0.304 4.644 4.340 -0.001 0.000 0.213 615 Q C 0.662 176.682 176.000 0.032 0.000 0.833 615 Q CA 0.375 56.166 55.803 -0.019 0.000 0.990 615 Q CB -0.303 28.283 28.738 -0.254 0.000 1.132 615 Q HN 0.364 nan 8.270 nan 0.000 0.493 616 G N 2.279 111.234 108.800 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 -2.717 172.375 174.900 0.320 0.000 1.211 616 G CA -1.252 44.139 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 -0.056 0.000 1.223 617 P CA -0.152 62.949 63.100 0.003 0.000 0.785 617 P CB 1.011 32.723 31.700 0.019 0.000 0.923 618 I N -1.055 119.343 120.570 -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 61.748 61.300 -0.178 0.000 1.457 618 I CB -0.297 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 1.051 122.470 121.300 0.198 0.000 3.207 619 W HA 0.827 5.487 4.660 -0.000 0.000 0.326 619 W C -1.201 175.430 176.519 0.187 0.000 1.190 619 W CA -1.218 56.279 57.345 0.254 0.000 1.011 619 W CB 0.822 30.473 29.460 0.317 0.000 1.511 619 W HN -0.068 nan 8.180 nan 0.000 0.606 620 A N 1.330 124.431 122.820 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 1.470 20.565 19.000 0.160 0.000 1.282 620 A HN 0.699 nan 8.150 nan 0.000 0.399 621 K N 3.541 124.032 120.400 0.151 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 -0.085 0.000 1.074 621 K CA -0.273 55.943 56.287 -0.118 0.000 0.936 621 K CB -0.235 31.977 32.500 -0.481 0.000 1.049 621 K HN 0.616 nan 8.250 nan 0.000 0.471 622 I N 7.587 128.082 120.570 -0.125 0.000 2.742 622 I HA -0.042 4.127 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 0.099 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 -0.540 176.822 177.300 0.103 0.000 1.187 623 P CA 0.165 63.293 63.100 0.046 0.000 0.766 623 P CB 0.282 32.036 31.700 0.090 0.000 0.820 624 H N 1.784 120.873 119.070 0.032 0.000 2.982 624 H HA 0.270 4.826 4.556 -0.001 0.000 0.261 624 H C 0.251 175.634 175.328 0.092 0.000 1.603 624 H CA 0.012 56.096 56.048 0.060 0.000 1.398 624 H CB -0.544 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 0.017 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 -0.240 0.000 1.000 625 T CA -0.900 61.161 62.100 -0.066 0.000 0.982 625 T CB 1.172 70.017 68.868 -0.038 0.000 1.249 625 T HN 0.232 nan 8.240 nan 0.000 0.589 626 D N 0.418 120.705 120.400 -0.188 0.000 2.224 626 D HA 0.199 4.839 4.640 -0.001 0.000 0.205 626 D C 0.879 176.994 176.300 -0.309 0.000 0.965 626 D CA 1.098 54.981 54.000 -0.195 0.000 0.852 626 D CB -0.166 40.573 40.800 -0.103 0.000 0.947 626 D HN 0.826 nan 8.370 nan 0.000 0.494 627 G N -0.644 107.890 108.800 -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 -1.340 173.204 174.900 -0.593 0.000 1.426 627 G CA -0.688 44.124 45.100 -0.479 0.000 0.989 627 G HN 0.027 nan 8.290 nan 0.000 0.520 628 H N 1.316 120.398 119.070 0.021 0.000 2.928 628 H HA 0.512 5.068 4.556 -0.001 0.000 0.371 628 H C -0.429 174.978 175.328 0.133 0.000 1.186 628 H CA -0.684 55.398 56.048 0.057 0.000 1.134 628 H CB 2.524 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 0.847 120.889 119.950 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 0.691 58.781 58.000 0.150 0.000 1.073 629 F CB 0.344 39.408 39.000 0.106 0.000 1.114 629 F HN 0.514 nan 8.300 nan 0.000 0.588 630 H N 1.957 121.039 119.070 0.021 0.000 2.439 630 H HA 0.345 4.901 4.556 -0.001 0.000 0.239 630 H C -2.385 173.026 175.328 0.138 0.000 1.432 630 H CA -2.149 53.891 56.048 -0.014 0.000 1.373 630 H CB 0.238 30.112 29.762 0.187 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 63.416 63.100 -0.013 0.000 1.017 631 P CB -0.337 31.287 31.700 -0.127 0.000 1.945 632 S N 1.899 117.664 115.700 0.108 0.000 2.437 632 S HA 0.502 4.972 4.470 -0.001 0.000 0.305 632 S C -2.499 172.192 174.600 0.152 0.000 1.109 632 S CA -2.108 56.180 58.200 0.145 0.000 1.099 632 S CB 0.271 63.631 63.200 0.267 0.000 1.004 632 S HN -0.026 nan 8.310 nan 0.000 0.475 633 P HA 0.032 nan 4.420 nan 0.000 0.258 633 P C 0.720 178.092 177.300 0.120 0.000 1.172 633 P CA 0.206 63.374 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 2.439 123.727 121.223 0.107 0.000 2.127 634 L HA -0.167 4.173 4.340 -0.001 0.000 0.211 634 L C 2.065 179.002 176.870 0.112 0.000 1.089 634 L CA 1.567 56.471 54.840 0.106 0.000 0.757 634 L CB -0.416 41.692 42.059 0.082 0.000 0.899 634 L HN 0.489 nan 8.230 nan 0.000 0.434 635 M N -0.861 118.801 119.600 0.103 0.000 2.619 635 M HA 0.141 4.620 4.480 -0.001 0.000 0.251 635 M C 0.725 177.112 176.300 0.144 0.000 1.106 635 M CA 0.501 55.866 55.300 0.109 0.000 1.086 635 M CB -0.015 32.633 32.600 0.080 0.000 1.465 635 M HN 0.335 nan 8.290 nan 0.000 0.506 636 G N -0.138 108.740 108.800 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 0.732 nan 8.290 nan 0.000 0.654 637 G N -0.546 108.228 108.800 -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 -0.650 174.077 174.900 -0.287 0.000 1.267 637 G CA -0.081 44.905 45.100 -0.191 0.000 1.127 637 G HN 1.625 nan 8.290 nan 0.000 0.498 638 F N 1.965 122.056 119.950 0.234 0.000 2.388 638 F HA 0.568 5.095 4.527 -0.001 0.000 0.358 638 F C 1.130 177.043 175.800 0.188 0.000 1.122 638 F CA 0.070 58.180 58.000 0.185 0.000 1.056 638 F CB 2.015 41.115 39.000 0.166 0.000 1.155 638 F HN 0.712 nan 8.300 nan 0.000 0.461 639 G N 5.182 114.137 108.800 0.258 0.000 2.360 639 G HA2 0.515 4.475 3.960 -0.001 0.000 0.279 639 G HA3 0.515 4.475 3.960 -0.001 0.000 0.279 639 G C -0.820 174.150 174.900 0.117 0.000 1.189 639 G CA -0.417 44.774 45.100 0.151 0.000 0.941 639 G HN 0.579 nan 8.290 nan 0.000 0.445 640 L N 3.120 124.404 121.223 0.101 0.000 2.356 640 L HA 0.359 4.699 4.340 -0.001 0.000 0.277 640 L C 1.157 177.947 176.870 -0.133 0.000 0.996 640 L CA -1.114 53.749 54.840 0.038 0.000 0.822 640 L CB 2.216 44.350 42.059 0.125 0.000 1.256 640 L HN 0.425 nan 8.230 nan 0.000 0.413 641 K N 1.040 121.316 120.400 -0.208 0.000 2.026 641 K HA -0.035 4.285 4.320 -0.001 0.000 0.208 641 K C 0.324 176.468 176.600 -0.759 0.000 1.048 641 K CA 1.351 57.357 56.287 -0.468 0.000 0.929 641 K CB 0.044 32.267 32.500 -0.461 0.000 0.713 641 K HN 0.541 nan 8.250 nan 0.000 0.439 642 H N 0.581 119.526 119.070 -0.208 0.000 2.645 642 H HA 0.312 4.867 4.556 -0.001 0.000 0.257 642 H C -2.414 172.915 175.328 0.001 0.000 1.269 642 H CA -2.229 53.667 56.048 -0.253 0.000 1.409 642 H CB 1.149 30.909 29.762 -0.004 0.000 1.434 642 H HN 0.058 nan 8.280 nan 0.000 0.505 643 P HA 0.195 nan 4.420 nan 0.000 0.281 643 P C -2.647 174.448 177.300 -0.343 0.000 1.264 643 P CA -2.153 60.844 63.100 -0.171 0.000 0.824 643 P CB 0.269 31.894 31.700 -0.124 0.000 1.092 644 P HA -0.031 nan 4.420 nan 0.000 0.251 644 P C -2.007 175.097 177.300 -0.326 0.000 1.154 644 P CA -0.082 62.318 63.100 -1.166 0.000 0.805 644 P CB -1.277 29.736 31.700 -1.144 0.000 0.759 645 P HA -0.073 nan 4.420 nan 0.000 0.270 645 P C -0.307 176.862 177.300 -0.218 0.000 1.221 645 P CA 0.291 63.285 63.100 -0.176 0.000 0.788 645 P CB 0.655 32.127 31.700 -0.379 0.000 0.904 646 Q N 0.500 120.143 119.800 -0.262 0.000 2.286 646 Q HA 0.344 4.683 4.340 -0.001 0.000 0.257 646 Q C -0.458 175.201 176.000 -0.568 0.000 0.941 646 Q CA -0.386 55.175 55.803 -0.404 0.000 0.912 646 Q CB 0.290 28.740 28.738 -0.479 0.000 1.192 646 Q HN 0.314 nan 8.270 nan 0.000 0.410 647 I N 3.115 123.384 120.570 -0.501 0.000 2.307 647 I HA 0.199 4.368 4.170 -0.001 0.000 0.289 647 I C -0.418 175.453 176.117 -0.410 0.000 1.021 647 I CA -0.148 60.811 61.300 -0.569 0.000 1.224 647 I CB 0.803 38.400 38.000 -0.671 0.000 1.376 647 I HN 0.499 nan 8.210 nan 0.000 0.470 648 M N 6.647 125.839 119.600 -0.681 0.000 2.359 648 M HA 0.609 5.089 4.480 -0.001 0.000 0.322 648 M C -0.739 175.526 176.300 -0.058 0.000 1.166 648 M CA -0.354 54.663 55.300 -0.472 0.000 1.067 648 M CB 1.441 33.411 32.600 -1.050 0.000 1.523 648 M HN 0.494 nan 8.290 nan 0.000 0.467 649 I N 2.264 122.968 120.570 0.223 0.000 2.775 649 I HA 0.685 4.854 4.170 -0.001 0.000 0.295 649 I C -1.842 174.304 176.117 0.049 0.000 1.287 649 I CA -0.234 61.149 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 -0.203 0.000 2.598 650 K HA 0.548 4.868 4.320 -0.001 0.000 0.271 650 K C -2.012 174.412 176.600 -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 1.188 119.781 118.700 -0.179 0.000 2.442 651 N HA 0.178 4.917 4.740 -0.001 0.000 0.265 651 N C -0.870 174.563 175.510 -0.128 0.000 1.138 651 N CA -0.318 52.678 53.050 -0.090 0.000 0.956 651 N CB 1.088 39.570 38.487 -0.009 0.000 1.067 651 N HN 0.655 nan 8.380 nan 0.000 0.474 652 T N 4.066 118.546 114.554 -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 -0.593 61.416 62.100 -0.151 0.000 1.168 652 T CB 0.076 68.890 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 -0.144 62.492 63.100 -0.772 0.000 0.762 653 P CB 0.382 31.421 31.700 -1.101 0.000 0.799 654 V N 7.244 127.042 119.914 -0.193 0.000 2.334 654 V HA 0.267 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 -2.157 60.149 62.300 0.011 0.000 0.832 654 V CB 1.462 33.301 31.823 0.027 0.000 0.999 654 V HN 0.455 nan 8.190 nan 0.000 0.439 655 P HA 0.140 nan 4.420 nan 0.000 0.263 655 P C 0.236 177.626 177.300 0.151 0.000 1.195 655 P CA 0.457 63.625 63.100 0.114 0.000 0.762 655 P CB 0.689 32.203 31.700 -0.310 0.000 0.799 656 A N 4.365 127.315 122.820 0.218 0.000 2.404 656 A HA 0.036 4.355 4.320 -0.001 0.000 0.258 656 A C 0.724 178.400 177.584 0.155 0.000 1.644 656 A CA -0.056 52.075 52.037 0.155 0.000 0.847 656 A CB -0.349 18.720 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 0.299 5.039 4.740 -0.001 0.000 0.268 657 N C -2.604 172.975 175.510 0.115 0.000 1.136 657 N CA -0.883 52.222 53.050 0.091 0.000 0.961 657 N CB 0.309 38.825 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 0.289 32.121 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 62.909 63.100 0.023 0.000 0.798 659 P CB 0.336 32.027 31.700 -0.015 0.000 0.979 660 T N -1.230 113.350 114.554 0.042 0.000 3.035 660 T HA -0.028 4.321 4.350 -0.001 0.000 0.268 660 T C 0.912 175.653 174.700 0.068 0.000 1.109 660 T CA 1.243 63.375 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 1.032 115.624 114.554 0.063 0.000 2.867 661 T HA 0.485 4.835 4.350 -0.001 0.000 0.282 661 T C -0.738 174.035 174.700 0.123 0.000 1.000 661 T CA -0.972 61.180 62.100 0.087 0.000 1.042 661 T CB 0.254 69.153 68.868 0.051 0.000 0.973 661 T HN 0.132 nan 8.240 nan 0.000 0.465 662 F N 4.256 124.219 119.950 0.021 0.000 2.484 662 F HA 0.494 5.020 4.527 -0.001 0.000 0.360 662 F C 0.331 176.145 175.800 0.023 0.000 1.101 662 F CA -0.046 57.971 58.000 0.029 0.000 1.251 662 F CB 0.642 39.659 39.000 0.029 0.000 1.132 662 F HN 0.448 nan 8.300 nan 0.000 0.570 663 S N 6.928 122.121 115.700 -0.844 0.000 2.605 663 S HA 0.509 4.979 4.470 -0.001 0.000 0.308 663 S C -1.903 172.142 174.600 -0.924 0.000 1.113 663 S CA -1.282 56.498 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 0.168 177.375 177.300 -0.154 0.000 1.177 664 P CA 0.150 63.050 63.100 -0.333 0.000 0.773 664 P CB -0.041 31.591 31.700 -0.113 0.000 0.878 665 A N 0.909 123.627 122.820 -0.170 0.000 2.531 665 A HA 0.028 4.347 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 51.767 52.037 -0.100 0.000 0.760 665 A CB -0.304 18.619 19.000 -0.127 0.000 0.995 665 A HN 0.066 nan 8.150 nan 0.000 0.501 666 K N 1.660 122.062 120.400 0.003 0.000 2.524 666 K HA 0.017 4.337 4.320 -0.001 0.000 0.279 666 K C -0.825 175.809 176.600 0.056 0.000 0.993 666 K CA 0.234 56.566 56.287 0.074 0.000 1.030 666 K CB 0.057 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 2.988 122.940 119.950 0.003 0.000 2.456 667 F HA 0.244 4.771 4.527 -0.001 0.000 0.358 667 F C 0.706 176.421 175.800 -0.141 0.000 1.095 667 F CA 0.762 58.703 58.000 -0.099 0.000 1.216 667 F CB 1.213 40.167 39.000 -0.077 0.000 1.125 667 F HN 0.681 nan 8.300 nan 0.000 0.549 668 A N 3.072 125.687 122.820 -0.342 0.000 2.704 668 A HA 0.181 4.501 4.320 -0.001 0.000 0.260 668 A C 0.128 177.473 177.584 -0.397 0.000 1.144 668 A CA 0.025 51.943 52.037 -0.199 0.000 0.985 668 A CB -0.123 18.862 19.000 -0.024 0.000 1.256 668 A HN 0.480 nan 8.150 nan 0.000 0.598 669 S N 0.713 116.008 115.700 -0.675 0.000 2.466 669 S HA 0.713 5.182 4.470 -0.001 0.000 0.313 669 S C -0.952 173.453 174.600 -0.326 0.000 1.078 669 S CA -0.338 57.626 58.200 -0.394 0.000 1.115 669 S CB -0.540 62.450 63.200 -0.350 0.000 1.006 669 S HN 0.202 nan 8.310 nan 0.000 0.487 670 F N 3.054 123.132 119.950 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 -1.276 56.840 58.000 0.195 0.000 0.953 670 F CB 1.196 40.320 39.000 0.208 0.000 1.227 670 F HN 0.283 nan 8.300 nan 0.000 0.478 671 I N 1.501 122.264 120.570 0.322 0.000 2.471 671 I HA 0.113 4.282 4.170 -0.001 0.000 0.286 671 I C 0.349 176.590 176.117 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 4.491 119.139 114.554 0.157 0.000 2.814 672 T HA 0.395 4.744 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 -0.639 61.541 62.100 0.132 0.000 1.123 672 T CB 0.766 69.690 68.868 0.094 0.000 0.902 672 T HN 0.732 nan 8.240 nan 0.000 0.528 673 Q N 2.308 122.180 119.800 0.120 0.000 2.472 673 Q HA 0.563 4.902 4.340 -0.001 0.000 0.281 673 Q C -1.774 174.305 176.000 0.132 0.000 0.997 673 Q CA -1.355 54.506 55.803 0.097 0.000 0.828 673 Q CB 1.492 30.247 28.738 0.030 0.000 1.443 673 Q HN 0.863 nan 8.270 nan 0.000 0.390 674 Y N -1.140 119.151 120.300 -0.015 0.000 2.545 674 Y HA 0.837 5.386 4.550 -0.001 0.000 0.348 674 Y C -0.846 175.059 175.900 0.009 0.000 1.002 674 Y CA -0.824 57.262 58.100 -0.022 0.000 1.039 674 Y CB 2.036 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 1.070 116.830 115.700 0.100 0.000 2.621 675 S HA 0.849 5.319 4.470 -0.001 0.000 0.302 675 S C -0.650 174.036 174.600 0.143 0.000 1.093 675 S CA -0.460 57.790 58.200 0.084 0.000 1.017 675 S CB 1.940 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 -0.457 114.003 114.554 -0.158 0.000 2.853 676 T HA 0.760 5.110 4.350 -0.001 0.000 0.311 676 T C -0.347 173.657 174.700 -1.161 0.000 1.307 676 T CA 0.270 61.950 62.100 -0.699 0.000 1.019 676 T CB 1.058 69.720 68.868 -0.344 0.000 1.264 676 T HN 1.737 nan 8.240 nan 0.000 0.497 677 G N 1.796 109.448 108.800 -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 -2.091 172.010 174.900 -1.331 0.000 1.274 677 G CA -0.666 43.694 45.100 -1.235 0.000 0.857 677 G HN 0.768 nan 8.290 nan 0.000 0.499 678 Q N -1.352 118.045 119.800 -0.673 0.000 2.248 678 Q HA 0.758 5.097 4.340 -0.001 0.000 0.263 678 Q C -0.571 175.210 176.000 -0.365 0.000 1.007 678 Q CA -0.729 54.720 55.803 -0.590 0.000 0.877 678 Q CB 2.539 30.789 28.738 -0.814 0.000 1.315 678 Q HN 0.975 nan 8.270 nan 0.000 0.454 679 V N 0.205 120.031 119.914 -0.147 0.000 2.841 679 V HA 0.830 4.950 4.120 -0.001 0.000 0.310 679 V C -1.596 174.396 176.094 -0.170 0.000 1.090 679 V CA -0.317 61.874 62.300 -0.181 0.000 0.930 679 V CB 2.344 34.117 31.823 -0.085 0.000 1.014 679 V HN 0.692 nan 8.190 nan 0.000 0.425 680 S N 4.310 119.897 115.700 -0.189 0.000 2.557 680 S HA 0.818 5.287 4.470 -0.001 0.000 0.291 680 S C -1.477 172.955 174.600 -0.281 0.000 1.116 680 S CA -0.453 57.665 58.200 -0.137 0.000 0.992 680 S CB 1.596 64.835 63.200 0.064 0.000 1.028 680 S HN 0.878 nan 8.310 nan 0.000 0.484 681 V N 4.953 124.732 119.914 -0.225 0.000 2.443 681 V HA 0.498 4.618 4.120 -0.001 0.000 0.293 681 V C -0.233 175.783 176.094 -0.129 0.000 1.021 681 V CA -0.651 61.513 62.300 -0.227 0.000 0.848 681 V CB 1.481 33.024 31.823 -0.467 0.000 0.998 681 V HN 0.903 nan 8.190 nan 0.000 0.424 682 E N 5.478 125.614 120.200 -0.107 0.000 2.151 682 E HA 0.651 5.000 4.350 -0.001 0.000 0.275 682 E C -1.424 175.127 176.600 -0.082 0.000 0.936 682 E CA -0.519 55.829 56.400 -0.086 0.000 0.777 682 E CB 1.422 31.057 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 -0.074 0.000 2.498 683 I HA 0.269 4.439 4.170 -0.001 0.000 0.290 683 I C -0.217 175.769 176.117 -0.219 0.000 1.032 683 I CA -0.801 60.398 61.300 -0.167 0.000 1.073 683 I CB 2.061 39.910 38.000 -0.251 0.000 1.251 683 I HN 0.554 nan 8.210 nan 0.000 0.426 684 E N 5.222 125.242 120.200 -0.301 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 -0.585 55.691 56.400 -0.207 0.000 0.827 684 E CB 1.301 30.930 29.700 -0.120 0.000 1.101 684 E HN 0.405 nan 8.360 nan 0.000 0.393 685 W N 2.739 124.028 121.300 -0.017 0.000 2.619 685 W HA 0.287 4.947 4.660 -0.001 0.000 0.327 685 W C -0.199 176.366 176.519 0.076 0.000 1.027 685 W CA -0.701 56.675 57.345 0.051 0.000 1.233 685 W CB 1.247 30.801 29.460 0.157 0.000 1.370 685 W HN 0.459 nan 8.180 nan 0.000 0.453 686 E N 3.252 123.601 120.200 0.247 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 30.598 29.700 0.126 0.000 1.035 686 E HN 0.461 nan 8.360 nan 0.000 0.408 687 L N 3.294 124.795 121.223 0.463 0.000 2.342 687 L HA 0.362 4.702 4.340 -0.001 0.000 0.271 687 L C -0.300 176.809 176.870 0.399 0.000 1.008 687 L CA -0.765 54.375 54.840 0.501 0.000 0.818 687 L CB 1.923 44.201 42.059 0.365 0.000 1.296 687 L HN 0.545 nan 8.230 nan 0.000 0.427 688 Q N 3.094 123.059 119.800 0.274 0.000 2.394 688 Q HA 0.251 4.591 4.340 -0.001 0.000 0.259 688 Q C -0.826 175.180 176.000 0.010 0.000 1.021 688 Q CA -0.786 54.981 55.803 -0.060 0.000 0.805 688 Q CB 1.165 29.621 28.738 -0.470 0.000 1.226 688 Q HN 0.342 nan 8.270 nan 0.000 0.476 689 K N 1.836 122.198 120.400 -0.063 0.000 2.230 689 K HA 0.051 4.370 4.320 -0.001 0.000 0.253 689 K C -0.099 176.243 176.600 -0.429 0.000 1.008 689 K CA -0.006 56.185 56.287 -0.159 0.000 0.910 689 K CB 0.660 33.076 32.500 -0.139 0.000 0.994 689 K HN 0.656 nan 8.250 nan 0.000 0.495 690 E N 1.986 121.818 120.200 -0.612 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 55.415 56.400 -1.301 0.000 0.819 690 E CB 0.554 29.623 29.700 -1.051 0.000 1.081 690 E HN 0.356 nan 8.360 nan 0.000 0.397 691 N N 2.950 121.016 118.700 -1.057 0.000 2.762 691 N HA 0.115 4.855 4.740 -0.001 0.000 0.252 691 N C -1.839 173.569 175.510 -0.170 0.000 1.269 691 N CA -0.222 52.576 53.050 -0.419 0.000 0.799 691 N CB 0.968 39.318 38.487 -0.228 0.000 1.173 691 N HN 0.232 nan 8.380 nan 0.000 0.516 692 S N 1.101 116.710 115.700 -0.151 0.000 2.513 692 S HA 0.444 4.913 4.470 -0.001 0.000 0.299 692 S C 0.064 174.686 174.600 0.036 0.000 1.087 692 S CA -0.616 57.626 58.200 0.071 0.000 1.012 692 S CB 0.669 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 2.368 122.816 120.400 0.079 0.000 2.493 693 K HA 0.156 4.475 4.320 -0.001 0.000 0.207 693 K C 0.267 176.943 176.600 0.125 0.000 1.033 693 K CA -0.264 56.074 56.287 0.084 0.000 1.161 693 K CB -0.133 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 0.962 121.533 120.500 0.119 0.000 2.502 694 R HA -0.108 4.232 4.340 -0.001 0.000 0.292 694 R C 1.082 177.473 176.300 0.152 0.000 0.998 694 R CA 0.236 56.420 56.100 0.140 0.000 1.056 694 R CB 0.068 30.441 30.300 0.121 0.000 0.939 694 R HN 0.296 nan 8.270 nan 0.000 0.411 695 W N 5.830 127.145 121.300 0.024 0.000 2.452 695 W HA -0.091 4.569 4.660 -0.001 0.000 0.313 695 W C -0.105 176.423 176.519 0.015 0.000 1.176 695 W CA 1.122 58.476 57.345 0.015 0.000 1.350 695 W CB -0.229 29.239 29.460 0.013 0.000 1.148 695 W HN 0.754 nan 8.180 nan 0.000 0.498 696 N N 2.063 120.886 118.700 0.205 0.000 2.444 696 N HA 0.090 4.830 4.740 -0.001 0.000 0.255 696 N C -2.701 172.813 175.510 0.006 0.000 1.255 696 N CA -1.055 52.047 53.050 0.087 0.000 0.933 696 N CB -0.610 37.976 38.487 0.165 0.000 1.143 696 N HN -0.104 nan 8.380 nan 0.000 0.453 697 P HA 0.076 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 0.273 63.364 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 0.367 4.717 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 -0.996 55.451 56.400 0.078 0.000 0.929 698 E CB 0.812 30.577 29.700 0.110 0.000 1.161 698 E HN 0.439 nan 8.360 nan 0.000 0.453 699 I N -1.205 119.435 120.570 0.117 0.000 2.519 699 I HA 0.198 4.368 4.170 -0.001 0.000 0.287 699 I C -0.351 175.926 176.117 0.267 0.000 1.047 699 I CA -0.486 60.905 61.300 0.151 0.000 1.381 699 I CB 0.652 38.723 38.000 0.117 0.000 1.417 699 I HN 0.169 nan 8.210 nan 0.000 0.540 700 Q N 4.680 124.631 119.800 0.252 0.000 2.394 700 Q HA 0.303 4.643 4.340 -0.001 0.000 0.273 700 Q C -1.407 174.731 176.000 0.229 0.000 1.089 700 Q CA -0.796 55.138 55.803 0.217 0.000 0.812 700 Q CB 2.824 31.605 28.738 0.071 0.000 1.353 700 Q HN 0.791 nan 8.270 nan 0.000 0.438 701 Y N 0.998 121.188 120.300 -0.183 0.000 2.346 701 Y HA 0.295 4.844 4.550 -0.001 0.000 0.330 701 Y C -0.116 175.763 175.900 -0.035 0.000 1.178 701 Y CA 0.864 58.870 58.100 -0.156 0.000 1.331 701 Y CB 0.989 39.123 38.460 -0.543 0.000 1.253 701 Y HN 0.616 nan 8.280 nan 0.000 0.529 702 T N 3.633 117.781 114.554 -0.676 0.000 2.840 702 T HA 0.433 4.782 4.350 -0.001 0.000 0.317 702 T C -1.239 173.225 174.700 -0.394 0.000 1.401 702 T CA -0.752 61.151 62.100 -0.328 0.000 1.028 702 T CB 0.871 69.666 68.868 -0.122 0.000 1.317 702 T HN 0.613 nan 8.240 nan 0.000 0.495 703 S N 2.048 117.695 115.700 -0.090 0.000 2.586 703 S HA 0.377 4.847 4.470 -0.001 0.000 0.274 703 S C 0.104 174.730 174.600 0.043 0.000 1.281 703 S CA -0.629 57.577 58.200 0.009 0.000 1.035 703 S CB 0.182 63.446 63.200 0.106 0.000 0.962 703 S HN 0.713 nan 8.310 nan 0.000 0.512 704 N N 1.933 120.662 118.700 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 0.002 0.000 1.121 704 N HN 0.755 nan 8.380 nan 0.000 0.480 705 Y N 1.098 121.396 120.300 -0.004 0.000 2.639 705 Y HA 0.078 4.627 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 -0.510 57.592 58.100 0.003 0.000 1.335 705 Y CB -0.160 38.300 38.460 0.000 0.000 0.994 705 Y HN 0.313 nan 8.280 nan 0.000 0.548 706 N N 2.531 120.869 118.700 -0.603 0.000 2.415 706 N HA -0.031 4.709 4.740 -0.001 0.000 0.248 706 N C -0.498 174.875 175.510 -0.229 0.000 1.271 706 N CA -0.203 52.524 53.050 -0.540 0.000 0.913 706 N CB 0.514 38.746 38.487 -0.425 0.000 1.129 706 N HN 0.317 nan 8.380 nan 0.000 0.444 707 K N 0.554 120.850 120.400 -0.174 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 0.362 56.593 56.287 -0.092 0.000 1.059 707 K CB 0.217 32.674 32.500 -0.071 0.000 0.901 707 K HN 0.453 nan 8.250 nan 0.000 0.475 708 S N 2.784 118.453 115.700 -0.052 0.000 2.599 708 S HA 0.329 4.798 4.470 -0.001 0.000 0.294 708 S C 0.841 175.422 174.600 -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 3.226 123.120 119.914 -0.034 0.000 2.238 709 V HA -0.008 4.112 4.120 -0.001 0.000 0.235 709 V C 0.796 176.873 176.094 -0.029 0.000 1.037 709 V CA 1.483 63.764 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 -0.897 117.782 118.700 -0.036 0.000 2.472 710 N HA 0.477 5.216 4.740 -0.001 0.000 0.289 710 N C -1.030 174.464 175.510 -0.026 0.000 1.156 710 N CA -0.601 52.428 53.050 -0.036 0.000 0.940 710 N CB 1.970 40.422 38.487 -0.058 0.000 1.200 710 N HN 0.084 nan 8.380 nan 0.000 0.511 711 V N 1.380 121.288 119.914 -0.009 0.000 2.530 711 V HA 0.044 4.163 4.120 -0.001 0.000 0.282 711 V C -0.064 176.042 176.094 0.020 0.000 1.048 711 V CA -0.435 61.880 62.300 0.024 0.000 0.997 711 V CB 0.764 32.621 31.823 0.056 0.000 0.987 711 V HN 0.615 nan 8.190 nan 0.000 0.477 712 D N 4.649 125.084 120.400 0.057 0.000 2.531 712 D HA 0.105 4.745 4.640 -0.001 0.000 0.239 712 D C 0.110 176.533 176.300 0.205 0.000 1.144 712 D CA 0.681 54.716 54.000 0.057 0.000 0.869 712 D CB 0.014 40.938 40.800 0.208 0.000 1.160 712 D HN 0.484 nan 8.370 nan 0.000 0.484 713 F N 0.019 119.920 119.950 -0.082 0.000 2.563 713 F HA -0.266 4.261 4.527 -0.001 0.000 0.351 713 F C 0.314 176.094 175.800 -0.032 0.000 1.086 713 F CA 0.351 58.265 58.000 -0.143 0.000 1.174 713 F CB -1.738 37.302 39.000 0.066 0.000 1.590 713 F HN 0.166 nan 8.300 nan 0.000 0.808 714 T N -0.764 113.721 114.554 -0.116 0.000 2.786 714 T HA 0.608 4.957 4.350 -0.001 0.000 0.316 714 T C -0.174 174.457 174.700 -0.115 0.000 1.503 714 T CA -0.463 61.651 62.100 0.024 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 -0.101 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 0.395 32.110 31.823 -0.180 0.000 1.061 715 V HN 0.996 nan 8.190 nan 0.000 0.480 716 D N 1.070 121.421 120.400 -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 0.359 54.322 54.000 -0.061 0.000 1.098 716 D CB -0.250 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 -2.968 111.566 114.554 -0.033 0.000 2.915 717 T HA -0.121 4.228 4.350 -0.001 0.000 0.269 717 T C 0.684 175.373 174.700 -0.018 0.000 1.071 717 T CA 1.276 63.363 62.100 -0.022 0.000 1.132 717 T CB -0.770 68.086 68.868 -0.021 0.000 0.878 717 T HN 0.543 nan 8.240 nan 0.000 0.479 718 N N 0.252 118.940 118.700 -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 0.499 nan 8.380 nan 0.000 0.515 719 G N -0.127 108.660 108.800 -0.022 0.000 2.470 719 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.286 719 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.286 719 G C -0.939 173.944 174.900 -0.027 0.000 1.115 719 G CA -0.004 45.082 45.100 -0.023 0.000 1.122 719 G HN 0.342 nan 8.290 nan 0.000 0.522 720 V N 1.899 121.781 119.914 -0.053 0.000 2.488 720 V HA 0.412 4.532 4.120 -0.001 0.000 0.293 720 V C 0.019 176.069 176.094 -0.074 0.000 1.027 720 V CA -1.343 60.932 62.300 -0.042 0.000 0.862 720 V CB 1.517 33.319 31.823 -0.034 0.000 1.008 720 V HN 0.563 nan 8.190 nan 0.000 0.428 721 Y N 4.419 124.587 120.300 -0.220 0.000 2.511 721 Y HA 0.462 5.011 4.550 -0.001 0.000 0.332 721 Y C 0.718 176.533 175.900 -0.142 0.000 1.177 721 Y CA 0.264 58.211 58.100 -0.255 0.000 1.422 721 Y CB 1.015 39.301 38.460 -0.291 0.000 1.271 721 Y HN 0.729 nan 8.280 nan 0.000 0.550 722 S N 4.370 119.632 115.700 -0.729 0.000 2.619 722 S HA 0.413 4.883 4.470 -0.001 0.000 0.280 722 S C -1.507 172.639 174.600 -0.756 0.000 1.150 722 S CA -1.196 56.672 58.200 -0.553 0.000 0.978 722 S CB 1.405 64.399 63.200 -0.345 0.000 1.041 722 S HN 0.676 nan 8.310 nan 0.000 0.485 723 E N 3.091 122.955 120.200 -0.559 0.000 2.001 723 E HA 0.218 4.568 4.350 -0.001 0.000 0.279 723 E C -1.857 174.387 176.600 -0.594 0.000 1.045 723 E CA -2.003 54.035 56.400 -0.603 0.000 0.833 723 E CB 0.462 30.048 29.700 -0.191 0.000 1.077 723 E HN 0.355 nan 8.360 nan 0.000 0.397 724 P HA -0.216 nan 4.420 nan 0.000 0.208 724 P C 0.202 177.339 177.300 -0.272 0.000 1.180 724 P CA 1.519 64.322 63.100 -0.495 0.000 0.935 724 P CB 0.182 31.559 31.700 -0.537 0.000 0.785 725 R N -1.612 118.778 120.500 -0.183 0.000 2.892 725 R HA 0.616 4.955 4.340 -0.001 0.000 0.265 725 R C -2.949 173.406 176.300 0.093 0.000 1.025 725 R CA -2.323 53.786 56.100 0.015 0.000 0.982 725 R CB 0.098 30.472 30.300 0.123 0.000 1.185 725 R HN -0.139 nan 8.270 nan 0.000 0.484 726 P HA 0.197 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 -0.368 62.792 63.100 0.100 0.000 0.790 726 P CB 0.523 32.251 31.700 0.045 0.000 0.951 727 I N 1.882 122.647 120.570 0.325 0.000 2.382 727 I HA 0.302 4.471 4.170 -0.001 0.000 0.286 727 I C 1.168 177.645 176.117 0.600 0.000 1.002 727 I CA -0.313 61.215 61.300 0.379 0.000 1.135 727 I CB 0.750 38.847 38.000 0.162 0.000 1.288 727 I HN 0.418 nan 8.210 nan 0.000 0.448 728 G N 3.530 112.682 108.800 0.586 0.000 2.631 728 G HA2 0.223 4.183 3.960 -0.001 0.000 0.271 728 G HA3 0.223 4.183 3.960 -0.001 0.000 0.271 728 G C 0.545 175.616 174.900 0.284 0.000 1.302 728 G CA 0.145 45.461 45.100 0.360 0.000 1.002 728 G HN 0.577 nan 8.290 nan 0.000 0.519 729 T N -1.401 113.243 114.554 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 0.183 0.000 0.964 729 T CA -0.221 61.944 62.100 0.108 0.000 0.895 729 T CB 0.022 68.960 68.868 0.116 0.000 1.163 729 T HN 0.362 nan 8.240 nan 0.000 0.517 730 R N 1.204 121.800 120.500 0.160 0.000 2.391 730 R HA 0.344 4.684 4.340 -0.001 0.000 0.310 730 R C -0.591 175.744 176.300 0.059 0.000 1.174 730 R CA -0.167 55.963 56.100 0.051 0.000 1.118 730 R CB 0.376 30.613 30.300 -0.105 0.000 1.134 730 R HN 0.327 nan 8.270 nan 0.000 0.524 731 Y N 0.599 120.923 120.300 0.041 0.000 2.452 731 Y HA 0.238 4.787 4.550 -0.001 0.000 0.262 731 Y C 0.463 176.418 175.900 0.092 0.000 1.089 731 Y CA -0.068 58.076 58.100 0.073 0.000 1.262 731 Y CB 0.881 39.392 38.460 0.086 0.000 1.236 731 Y HN 0.245 nan 8.280 nan 0.000 0.512 732 L N 0.733 122.117 121.223 0.268 0.000 2.334 732 L HA 0.468 4.808 4.340 -0.001 0.000 0.275 732 L C 0.168 177.136 176.870 0.163 0.000 1.036 732 L CA -0.765 54.261 54.840 0.309 0.000 0.807 732 L CB 1.566 43.970 42.059 0.576 0.000 1.231 732 L HN 0.007 nan 8.230 nan 0.000 0.438 733 T N -0.231 114.423 114.554 0.166 0.000 2.794 733 T HA 0.572 4.922 4.350 -0.001 0.000 0.280 733 T C -0.413 174.219 174.700 -0.112 0.000 0.987 733 T CA -0.876 61.234 62.100 0.017 0.000 0.993 733 T CB 2.026 70.935 68.868 0.069 0.000 0.939 733 T HN 0.591 nan 8.240 nan 0.000 0.449 734 R N 2.092 122.405 120.500 -0.312 0.000 2.807 734 R HA 0.476 4.816 4.340 -0.001 0.000 0.276 734 R C -0.729 175.501 176.300 -0.118 0.000 0.979 734 R CA -0.677 55.188 56.100 -0.392 0.000 0.928 734 R CB 1.447 31.114 30.300 -1.056 0.000 1.191 734 R HN 0.712 nan 8.270 nan 0.000 0.471 735 N N 0.957 119.626 118.700 -0.052 0.000 2.374 735 N HA 0.345 5.084 4.740 -0.001 0.000 0.284 735 N C -0.218 175.323 175.510 0.052 0.000 1.280 735 N CA -0.270 52.795 53.050 0.025 0.000 0.963 735 N CB 0.327 38.822 38.487 0.013 0.000 1.141 735 N HN 0.361 nan 8.380 nan 0.000 0.565 736 L N 0.000 121.219 121.223 -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 41.952 42.059 -0.178 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502