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_B 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 1.707 124.547 122.820 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 -0.540 51.520 52.037 0.038 0.000 0.753 218 A CB 1.565 20.584 19.000 0.032 0.000 1.248 218 A HN 0.515 nan 8.150 nan 0.000 0.424 219 D N 0.549 120.972 120.400 0.038 0.000 2.989 219 D HA 0.694 5.334 4.640 -0.001 0.000 0.284 219 D C 0.673 176.993 176.300 0.034 0.000 1.212 219 D CA 0.279 54.299 54.000 0.033 0.000 1.055 219 D CB 1.318 42.138 40.800 0.033 0.000 1.351 219 D HN 0.676 nan 8.370 nan 0.000 0.611 220 G N -0.708 108.111 108.800 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 0.810 175.728 174.900 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 0.472 120.400 119.914 0.023 0.000 2.273 221 V HA 0.110 4.230 4.120 -0.001 0.000 0.242 221 V C 2.375 178.481 176.094 0.020 0.000 1.035 221 V CA 1.855 64.167 62.300 0.021 0.000 1.013 221 V CB -0.662 31.169 31.823 0.014 0.000 0.652 221 V HN 0.731 nan 8.190 nan 0.000 0.452 222 G N 1.188 109.998 108.800 0.017 0.000 3.709 222 G HA2 0.234 4.193 3.960 -0.001 0.000 0.272 222 G HA3 0.234 4.193 3.960 -0.001 0.000 0.272 222 G C -0.121 174.791 174.900 0.020 0.000 1.259 222 G CA 0.011 45.120 45.100 0.015 0.000 1.512 222 G HN 0.426 nan 8.290 nan 0.000 0.625 223 N N 0.146 118.862 118.700 0.027 0.000 2.571 223 N HA 0.215 4.955 4.740 -0.001 0.000 0.286 223 N C -0.039 175.499 175.510 0.047 0.000 1.138 223 N CA -0.525 52.544 53.050 0.031 0.000 0.859 223 N CB 1.336 39.840 38.487 0.027 0.000 1.414 223 N HN 0.067 nan 8.380 nan 0.000 0.529 224 S N 1.655 117.387 115.700 0.053 0.000 2.544 224 S HA 0.034 4.504 4.470 -0.001 0.000 0.290 224 S C 0.884 175.536 174.600 0.088 0.000 1.276 224 S CA -0.105 58.145 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 1.741 117.521 115.700 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 -0.276 57.998 58.200 0.123 0.000 0.976 225 S CB -0.723 62.576 63.200 0.165 0.000 0.779 225 S HN 1.526 nan 8.310 nan 0.000 0.487 226 G N 0.294 109.100 108.800 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 -1.801 172.967 174.900 -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 -0.709 117.809 118.700 -0.302 0.000 2.471 227 N HA 0.427 5.167 4.740 -0.001 0.000 0.288 227 N C -0.780 174.729 175.510 -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 40.386 38.487 -0.164 0.000 1.256 227 N HN 0.536 nan 8.380 nan 0.000 0.534 228 W N 2.784 124.021 121.300 -0.105 0.000 2.365 228 W HA 0.142 4.801 4.660 -0.001 0.000 0.371 228 W C -0.954 175.468 176.519 -0.162 0.000 1.006 228 W CA 0.002 57.340 57.345 -0.012 0.000 1.528 228 W CB -0.285 29.175 29.460 -0.000 0.000 1.497 228 W HN 0.458 nan 8.180 nan 0.000 0.367 229 H N 4.867 123.861 119.070 -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 -0.194 0.000 1.183 229 H CA -0.032 55.953 56.048 -0.106 0.000 1.290 229 H CB 1.088 30.776 29.762 -0.123 0.000 1.438 229 H HN 0.159 nan 8.280 nan 0.000 0.487 230 C N 4.469 123.772 119.300 0.006 0.000 2.547 230 C HA 0.354 4.814 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 -0.357 58.662 59.018 0.002 0.000 1.390 230 C CB -0.408 27.349 27.740 0.028 0.000 1.918 230 C HN 0.929 nan 8.230 nan 0.000 0.438 231 D N 2.154 122.576 120.400 0.037 0.000 2.710 231 D HA 0.642 5.281 4.640 -0.001 0.000 0.276 231 D C -1.277 175.017 176.300 -0.010 0.000 1.267 231 D CA 0.158 54.180 54.000 0.037 0.000 0.772 231 D CB 2.109 42.944 40.800 0.059 0.000 1.299 231 D HN 0.627 nan 8.370 nan 0.000 0.421 232 S N 0.815 116.506 115.700 -0.015 0.000 2.603 232 S HA 0.726 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 1.723 64.809 63.200 -0.189 0.000 1.078 232 S HN 0.461 nan 8.310 nan 0.000 0.477 233 Q N 1.407 121.145 119.800 -0.104 0.000 2.458 233 Q HA 0.808 5.148 4.340 -0.001 0.000 0.282 233 Q C -1.676 174.265 176.000 -0.099 0.000 1.106 233 Q CA -0.592 55.225 55.803 0.023 0.000 0.814 233 Q CB 0.428 29.210 28.738 0.073 0.000 1.425 233 Q HN 0.761 nan 8.270 nan 0.000 0.437 234 W N 0.339 121.659 121.300 0.033 0.000 2.639 234 W HA 0.573 5.233 4.660 -0.001 0.000 0.347 234 W C -0.011 176.529 176.519 0.035 0.000 1.067 234 W CA -0.782 56.587 57.345 0.040 0.000 1.218 234 W CB 1.103 30.581 29.460 0.031 0.000 1.393 234 W HN 0.451 nan 8.180 nan 0.000 0.557 235 L N 2.770 124.150 121.223 0.262 0.000 2.906 235 L HA 0.234 4.574 4.340 -0.001 0.000 0.255 235 L C 1.665 178.630 176.870 0.158 0.000 1.166 235 L CA 0.903 55.840 54.840 0.163 0.000 0.977 235 L CB -0.743 41.380 42.059 0.106 0.000 1.313 235 L HN 1.013 nan 8.230 nan 0.000 0.549 236 G N 1.078 110.008 108.800 0.216 0.000 2.480 236 G HA2 -0.446 3.514 3.960 -0.001 0.000 0.246 236 G HA3 -0.446 3.514 3.960 -0.001 0.000 0.246 236 G C 0.989 175.972 174.900 0.139 0.000 1.073 236 G CA 1.121 46.309 45.100 0.147 0.000 0.643 236 G HN 0.384 nan 8.290 nan 0.000 0.525 237 D N 0.353 120.836 120.400 0.138 0.000 2.388 237 D HA 0.190 4.829 4.640 -0.001 0.000 0.208 237 D C 1.230 177.634 176.300 0.173 0.000 1.035 237 D CA 1.174 55.251 54.000 0.129 0.000 0.875 237 D CB 0.190 41.045 40.800 0.092 0.000 0.984 237 D HN 0.864 nan 8.370 nan 0.000 0.508 238 R N -1.749 118.863 120.500 0.187 0.000 2.741 238 R HA 0.567 4.907 4.340 -0.001 0.000 0.276 238 R C -2.037 174.351 176.300 0.147 0.000 1.028 238 R CA -0.979 55.236 56.100 0.190 0.000 0.865 238 R CB 1.073 31.454 30.300 0.136 0.000 1.268 238 R HN -0.128 nan 8.270 nan 0.000 0.475 239 V N 1.624 121.591 119.914 0.088 0.000 2.686 239 V HA 0.565 4.685 4.120 -0.001 0.000 0.306 239 V C -1.578 174.486 176.094 -0.051 0.000 1.065 239 V CA -0.877 61.324 62.300 -0.165 0.000 0.894 239 V CB 1.957 33.358 31.823 -0.705 0.000 1.004 239 V HN 0.673 nan 8.190 nan 0.000 0.424 240 I N 5.591 126.077 120.570 -0.139 0.000 2.339 240 I HA 0.506 4.675 4.170 -0.001 0.000 0.290 240 I C 0.440 176.477 176.117 -0.134 0.000 0.994 240 I CA 0.070 61.331 61.300 -0.064 0.000 1.191 240 I CB 2.056 40.016 38.000 -0.066 0.000 1.343 240 I HN 0.783 nan 8.210 nan 0.000 0.458 241 T N 1.452 115.969 114.554 -0.061 0.000 2.756 241 T HA 0.596 4.946 4.350 -0.001 0.000 0.290 241 T C -0.070 174.601 174.700 -0.049 0.000 0.985 241 T CA -0.680 61.338 62.100 -0.137 0.000 0.955 241 T CB 0.520 69.238 68.868 -0.250 0.000 0.930 241 T HN 0.474 nan 8.240 nan 0.000 0.451 242 T N 2.897 117.415 114.554 -0.059 0.000 2.794 242 T HA 0.637 4.987 4.350 -0.001 0.000 0.280 242 T C -0.300 174.375 174.700 -0.042 0.000 0.987 242 T CA -0.737 61.336 62.100 -0.045 0.000 0.993 242 T CB 1.449 70.295 68.868 -0.036 0.000 0.939 242 T HN 0.703 nan 8.240 nan 0.000 0.449 243 S N 1.934 117.597 115.700 -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 -0.198 0.000 1.128 243 S CA -0.537 57.606 58.200 -0.096 0.000 0.970 243 S CB 1.207 64.385 63.200 -0.037 0.000 1.039 243 S HN 0.665 nan 8.310 nan 0.000 0.485 244 T N 5.322 119.657 114.554 -0.365 0.000 2.881 244 T HA 0.665 5.015 4.350 -0.001 0.000 0.290 244 T C -0.958 173.362 174.700 -0.633 0.000 1.000 244 T CA -0.840 60.883 62.100 -0.628 0.000 0.978 244 T CB 1.090 69.239 68.868 -1.198 0.000 0.997 244 T HN 0.505 nan 8.240 nan 0.000 0.443 245 R N 1.233 121.567 120.500 -0.276 0.000 2.836 245 R HA 0.637 4.977 4.340 -0.001 0.000 0.269 245 R C -0.816 175.618 176.300 0.224 0.000 1.010 245 R CA -0.816 55.352 56.100 0.113 0.000 0.930 245 R CB 1.680 32.190 30.300 0.350 0.000 1.218 245 R HN 0.564 nan 8.270 nan 0.000 0.473 246 T N 2.616 117.359 114.554 0.315 0.000 2.799 246 T HA 0.514 4.863 4.350 -0.001 0.000 0.286 246 T C -0.193 174.463 174.700 -0.073 0.000 0.973 246 T CA -0.624 61.517 62.100 0.067 0.000 1.035 246 T CB 0.660 69.561 68.868 0.055 0.000 0.932 246 T HN 0.456 nan 8.240 nan 0.000 0.469 247 W N 0.669 121.810 121.300 -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 -0.723 0.000 1.174 247 W CB 1.392 30.500 29.460 -0.588 0.000 1.427 247 W HN 0.730 nan 8.180 nan 0.000 0.547 248 A N 2.738 125.545 122.820 -0.021 0.000 2.414 248 A HA 0.761 5.081 4.320 -0.001 0.000 0.306 248 A C -2.197 175.508 177.584 0.201 0.000 1.054 248 A CA -0.759 51.342 52.037 0.106 0.000 0.724 248 A CB 1.977 20.961 19.000 -0.026 0.000 1.267 248 A HN 0.675 nan 8.150 nan 0.000 0.418 249 L N 3.685 125.079 121.223 0.286 0.000 2.404 249 L HA 0.689 5.028 4.340 -0.001 0.000 0.272 249 L C -2.682 174.239 176.870 0.086 0.000 0.980 249 L CA -1.585 53.352 54.840 0.162 0.000 0.836 249 L CB 2.123 44.274 42.059 0.153 0.000 1.238 249 L HN 0.443 nan 8.230 nan 0.000 0.408 250 P HA 0.375 nan 4.420 nan 0.000 0.293 250 P C -1.048 176.094 177.300 -0.262 0.000 1.304 250 P CA -0.420 62.541 63.100 -0.233 0.000 0.767 250 P CB 0.541 31.931 31.700 -0.516 0.000 1.247 251 T N 0.610 114.996 114.554 -0.279 0.000 2.762 251 T HA 0.320 4.670 4.350 -0.001 0.000 0.303 251 T C -0.362 174.131 174.700 -0.345 0.000 0.977 251 T CA 0.080 62.004 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 2.085 122.280 120.300 -0.175 0.000 2.301 252 Y HA 0.187 4.737 4.550 -0.001 0.000 0.328 252 Y C 1.685 177.499 175.900 -0.143 0.000 1.242 252 Y CA -0.211 57.814 58.100 -0.126 0.000 1.323 252 Y CB 0.408 38.824 38.460 -0.075 0.000 1.266 252 Y HN 0.707 nan 8.280 nan 0.000 0.527 253 N N 1.934 120.690 118.700 0.093 0.000 2.650 253 N HA -0.395 4.344 4.740 -0.001 0.000 0.249 253 N C -0.364 175.139 175.510 -0.012 0.000 1.155 253 N CA 0.772 53.847 53.050 0.042 0.000 0.747 253 N CB -0.598 37.920 38.487 0.051 0.000 1.132 253 N HN 0.766 nan 8.380 nan 0.000 0.564 254 N N 0.171 118.808 118.700 -0.104 0.000 2.714 254 N HA -0.208 4.532 4.740 -0.001 0.000 0.253 254 N C -0.560 174.897 175.510 -0.089 0.000 1.024 254 N CA 2.031 54.999 53.050 -0.138 0.000 0.726 254 N CB -1.747 36.751 38.487 0.018 0.000 0.908 254 N HN 0.721 nan 8.380 nan 0.000 0.542 255 H N -2.727 116.298 119.070 -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 0.133 121.399 121.223 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 43.570 42.059 0.174 0.000 1.321 256 L HN 0.021 nan 8.230 nan 0.000 0.413 257 Y N 2.077 122.530 120.300 0.254 0.000 2.336 257 Y HA 0.323 4.873 4.550 -0.001 0.000 0.335 257 Y C 0.031 176.088 175.900 0.262 0.000 1.046 257 Y CA -0.163 58.124 58.100 0.312 0.000 1.198 257 Y CB 1.013 39.727 38.460 0.423 0.000 1.182 257 Y HN 0.284 nan 8.280 nan 0.000 0.502 258 K N 2.874 123.484 120.400 0.350 0.000 2.270 258 K HA 0.225 4.544 4.320 -0.001 0.000 0.255 258 K C -0.818 175.872 176.600 0.150 0.000 0.936 258 K CA -1.059 55.353 56.287 0.210 0.000 0.809 258 K CB 1.965 34.531 32.500 0.109 0.000 1.131 258 K HN 0.597 nan 8.250 nan 0.000 0.427 259 Q N 5.110 124.919 119.800 0.014 0.000 2.307 259 Q HA 0.194 4.534 4.340 -0.001 0.000 0.261 259 Q C -0.526 175.223 176.000 -0.419 0.000 1.051 259 Q CA -0.334 55.227 55.803 -0.404 0.000 0.911 259 Q CB 0.200 28.743 28.738 -0.325 0.000 1.227 259 Q HN 0.581 nan 8.270 nan 0.000 0.418 260 I N 1.030 121.259 120.570 -0.568 0.000 2.707 260 I HA 0.793 4.962 4.170 -0.001 0.000 0.309 260 I C -0.508 175.249 176.117 -0.599 0.000 1.001 260 I CA -0.726 60.344 61.300 -0.383 0.000 1.129 260 I CB 2.080 39.986 38.000 -0.157 0.000 1.308 260 I HN 0.693 nan 8.210 nan 0.000 0.466 261 S N 1.867 117.256 115.700 -0.518 0.000 2.661 261 S HA 0.469 4.938 4.470 -0.001 0.000 0.268 261 S C -0.560 173.497 174.600 -0.906 0.000 1.162 261 S CA -0.592 57.147 58.200 -0.769 0.000 0.817 261 S CB 0.875 63.936 63.200 -0.231 0.000 1.141 261 S HN 0.994 nan 8.310 nan 0.000 0.477 262 S N 1.146 116.363 115.700 -0.805 0.000 2.576 262 S HA 0.357 4.826 4.470 -0.001 0.000 0.276 262 S C 0.088 174.669 174.600 -0.032 0.000 1.339 262 S CA -0.553 57.507 58.200 -0.233 0.000 1.039 262 S CB 0.291 63.556 63.200 0.109 0.000 0.902 262 S HN 0.769 nan 8.310 nan 0.000 0.516 263 Q N 1.461 121.281 119.800 0.034 0.000 2.349 263 Q HA 0.054 4.394 4.340 -0.001 0.000 0.287 263 Q C -0.355 175.670 176.000 0.042 0.000 1.044 263 Q CA 0.381 56.198 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 4.680 4.470 -0.001 0.000 0.335 264 S C 0.681 175.311 174.600 0.049 0.000 1.175 264 S CA 0.422 58.649 58.200 0.045 0.000 1.372 264 S CB -0.744 62.468 63.200 0.020 0.000 1.337 264 S HN 0.812 nan 8.310 nan 0.000 0.572 265 G N 2.016 110.871 108.800 0.091 0.000 2.353 265 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.294 265 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.294 265 G C 0.465 175.370 174.900 0.007 0.000 1.077 265 G CA -0.022 45.117 45.100 0.064 0.000 1.098 265 G HN 0.958 nan 8.290 nan 0.000 0.511 266 A N -1.076 121.724 122.820 -0.035 0.000 2.127 266 A HA 0.818 5.137 4.320 -0.001 0.000 0.204 266 A C 1.085 178.601 177.584 -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 -2.001 113.574 115.700 -0.209 0.000 2.552 267 S HA 0.334 4.804 4.470 -0.001 0.000 0.272 267 S C 0.027 174.369 174.600 -0.428 0.000 1.150 267 S CA -0.392 57.658 58.200 -0.250 0.000 0.849 267 S CB 1.260 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 0.661 119.237 118.700 -0.207 0.000 2.571 268 N HA 0.034 4.774 4.740 -0.001 0.000 0.195 268 N C 0.016 175.567 175.510 0.069 0.000 1.040 268 N CA 0.202 53.241 53.050 -0.019 0.000 0.890 268 N CB 0.129 38.667 38.487 0.085 0.000 1.233 268 N HN 0.510 nan 8.380 nan 0.000 0.435 269 D N 0.649 121.057 120.400 0.013 0.000 2.363 269 D HA 0.030 4.670 4.640 -0.001 0.000 0.226 269 D C -0.021 176.292 176.300 0.021 0.000 1.020 269 D CA 0.630 54.669 54.000 0.064 0.000 0.892 269 D CB -0.199 40.657 40.800 0.094 0.000 0.900 269 D HN 0.408 nan 8.370 nan 0.000 0.531 270 N N -0.601 118.069 118.700 -0.049 0.000 2.200 270 N HA 0.006 4.746 4.740 -0.001 0.000 0.224 270 N C 0.038 175.592 175.510 0.074 0.000 1.179 270 N CA -0.354 52.675 53.050 -0.036 0.000 0.877 270 N CB 0.735 39.153 38.487 -0.116 0.000 1.072 270 N HN 0.069 nan 8.380 nan 0.000 0.519 271 H N 1.120 120.275 119.070 0.141 0.000 2.871 271 H HA 0.044 4.600 4.556 -0.001 0.000 0.355 271 H C -0.423 175.080 175.328 0.291 0.000 1.092 271 H CA 0.680 56.835 56.048 0.179 0.000 1.420 271 H CB 0.367 30.184 29.762 0.092 0.000 1.400 271 H HN 0.259 nan 8.280 nan 0.000 0.604 272 Y N 0.549 120.972 120.300 0.206 0.000 2.702 272 Y HA 0.472 5.021 4.550 -0.001 0.000 0.336 272 Y C -2.271 173.745 175.900 0.193 0.000 1.203 272 Y CA -1.376 56.814 58.100 0.151 0.000 1.072 272 Y CB 1.307 39.811 38.460 0.073 0.000 1.327 272 Y HN 0.403 nan 8.280 nan 0.000 0.456 273 F N 1.284 121.203 119.950 -0.051 0.000 2.588 273 F HA 0.833 5.359 4.527 -0.001 0.000 0.314 273 F C -0.348 175.404 175.800 -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 40.874 39.000 -0.155 0.000 1.239 273 F HN 1.087 nan 8.300 nan 0.000 0.448 274 G N 2.933 111.226 108.800 -0.847 0.000 2.588 274 G HA2 0.492 4.451 3.960 -0.001 0.000 0.281 274 G HA3 0.492 4.451 3.960 -0.001 0.000 0.281 274 G C -2.405 171.861 174.900 -1.056 0.000 1.223 274 G CA -0.580 44.137 45.100 -0.639 0.000 0.871 274 G HN 0.516 nan 8.290 nan 0.000 0.492 275 Y N -0.893 119.040 120.300 -0.612 0.000 2.588 275 Y HA 0.728 5.278 4.550 -0.001 0.000 0.343 275 Y C 0.094 175.841 175.900 -0.254 0.000 1.065 275 Y CA -0.796 57.073 58.100 -0.385 0.000 1.038 275 Y CB 2.603 40.946 38.460 -0.195 0.000 1.297 275 Y HN 0.538 nan 8.280 nan 0.000 0.467 276 S N 1.300 117.075 115.700 0.125 0.000 2.456 276 S HA 0.572 5.042 4.470 -0.001 0.000 0.316 276 S C -0.593 174.135 174.600 0.213 0.000 1.089 276 S CA -0.539 57.728 58.200 0.111 0.000 1.101 276 S CB 0.198 63.431 63.200 0.056 0.000 0.995 276 S HN 0.701 nan 8.310 nan 0.000 0.468 277 T N 2.733 117.421 114.554 0.223 0.000 2.902 277 T HA 0.563 4.913 4.350 -0.001 0.000 0.283 277 T C -2.425 172.288 174.700 0.021 0.000 1.009 277 T CA -2.080 60.095 62.100 0.125 0.000 1.051 277 T CB 1.376 70.554 68.868 0.518 0.000 0.999 277 T HN 0.297 nan 8.240 nan 0.000 0.474 278 P HA 0.145 nan 4.420 nan 0.000 0.242 278 P C -0.690 176.569 177.300 -0.068 0.000 1.197 278 P CA 0.041 63.071 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 0.323 121.607 121.300 -0.026 0.000 2.375 279 W HA 0.560 5.220 4.660 -0.001 0.000 0.336 279 W C 1.073 177.571 176.519 -0.035 0.000 1.160 279 W CA -0.045 57.298 57.345 -0.004 0.000 1.266 279 W CB 0.689 30.139 29.460 -0.017 0.000 1.195 279 W HN -0.189 nan 8.180 nan 0.000 0.599 280 G N 0.567 109.462 108.800 0.158 0.000 2.705 280 G HA2 0.738 4.697 3.960 -0.001 0.000 0.299 280 G HA3 0.738 4.697 3.960 -0.001 0.000 0.299 280 G C -1.970 172.929 174.900 -0.001 0.000 1.315 280 G CA -0.711 44.364 45.100 -0.043 0.000 1.045 280 G HN 0.574 nan 8.290 nan 0.000 0.517 281 Y N -2.926 117.225 120.300 -0.248 0.000 2.624 281 Y HA 0.732 5.282 4.550 -0.001 0.000 0.334 281 Y C -1.788 173.918 175.900 -0.322 0.000 1.155 281 Y CA -2.188 55.755 58.100 -0.262 0.000 1.046 281 Y CB 1.062 39.408 38.460 -0.189 0.000 1.316 281 Y HN 0.395 nan 8.280 nan 0.000 0.457 282 F N 1.555 121.558 119.950 0.087 0.000 2.422 282 F HA 0.566 5.093 4.527 -0.001 0.000 0.333 282 F C -0.262 175.639 175.800 0.168 0.000 1.095 282 F CA -0.075 58.014 58.000 0.149 0.000 1.038 282 F CB 1.693 40.859 39.000 0.277 0.000 1.156 282 F HN 0.636 nan 8.300 nan 0.000 0.483 283 D N 1.716 122.309 120.400 0.321 0.000 2.753 283 D HA 0.446 5.086 4.640 -0.001 0.000 0.224 283 D C -0.885 175.497 176.300 0.137 0.000 1.213 283 D CA -0.517 53.524 54.000 0.068 0.000 0.833 283 D CB 1.291 42.142 40.800 0.086 0.000 1.607 283 D HN 0.289 nan 8.370 nan 0.000 0.463 284 F N 0.607 120.657 119.950 0.167 0.000 2.656 284 F HA 0.386 4.912 4.527 -0.001 0.000 0.363 284 F C 0.302 176.151 175.800 0.082 0.000 1.313 284 F CA -0.813 57.249 58.000 0.103 0.000 1.089 284 F CB -0.975 38.178 39.000 0.254 0.000 1.247 284 F HN 0.279 nan 8.300 nan 0.000 0.509 285 N N 1.835 120.367 118.700 -0.279 0.000 2.581 285 N HA 0.133 4.873 4.740 -0.001 0.000 0.230 285 N C -0.382 174.925 175.510 -0.339 0.000 1.310 285 N CA 0.011 52.700 53.050 -0.601 0.000 0.886 285 N CB 0.183 38.122 38.487 -0.914 0.000 1.205 285 N HN 0.370 nan 8.380 nan 0.000 0.488 286 R N -0.412 119.965 120.500 -0.205 0.000 2.628 286 R HA 0.193 4.533 4.340 -0.001 0.000 0.288 286 R C 0.016 176.190 176.300 -0.209 0.000 0.980 286 R CA -0.655 55.272 56.100 -0.288 0.000 0.891 286 R CB 0.941 30.925 30.300 -0.527 0.000 1.188 286 R HN 0.129 nan 8.270 nan 0.000 0.450 287 F N 1.015 120.962 119.950 -0.006 0.000 2.216 287 F HA -0.184 4.343 4.527 -0.001 0.000 0.300 287 F C 2.318 178.157 175.800 0.065 0.000 1.085 287 F CA 1.701 59.789 58.000 0.146 0.000 1.326 287 F CB -0.072 38.835 39.000 -0.154 0.000 1.027 287 F HN 0.721 nan 8.300 nan 0.000 0.497 288 H N -2.780 116.355 119.070 0.109 0.000 2.561 288 H HA -0.040 4.515 4.556 -0.001 0.000 0.278 288 H C 1.753 177.094 175.328 0.021 0.000 1.014 288 H CA 0.584 56.656 56.048 0.041 0.000 1.211 288 H CB -1.413 28.348 29.762 -0.001 0.000 1.365 288 H HN 0.248 nan 8.280 nan 0.000 0.594 289 C N 0.669 119.827 119.300 -0.236 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 -0.388 0.000 1.353 289 C CA 1.013 59.817 59.018 -0.356 0.000 1.766 289 C CB -0.613 26.751 27.740 -0.626 0.000 1.924 289 C HN 0.799 nan 8.230 nan 0.000 0.509 290 H N -2.786 116.404 119.070 0.199 0.000 2.521 290 H HA 0.243 4.799 4.556 -0.001 0.000 0.267 290 H C 0.127 175.416 175.328 -0.065 0.000 0.963 290 H CA 0.193 56.289 56.048 0.080 0.000 1.175 290 H CB -0.201 29.661 29.762 0.167 0.000 1.450 290 H HN 0.311 nan 8.280 nan 0.000 0.472 291 F N 2.896 122.984 119.950 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 -0.856 57.243 58.000 0.165 0.000 1.124 291 F CB 1.206 40.361 39.000 0.260 0.000 1.145 291 F HN -0.038 nan 8.300 nan 0.000 0.505 292 S N 2.737 118.601 115.700 0.274 0.000 2.632 292 S HA 0.370 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 -1.170 57.144 58.200 0.189 0.000 0.998 292 S CB 1.511 64.802 63.200 0.152 0.000 0.953 292 S HN 0.344 nan 8.310 nan 0.000 0.547 293 P HA -0.173 nan 4.420 nan 0.000 0.216 293 P C 1.713 179.005 177.300 -0.013 0.000 1.157 293 P CA 1.306 64.310 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 0.069 0.000 2.070 294 R HA -0.143 4.196 4.340 -0.001 0.000 0.233 294 R C 1.835 178.224 176.300 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 -0.352 120.208 120.400 0.267 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 1.321 55.603 54.000 0.469 0.000 0.836 295 D CB -0.650 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 2.219 178.610 176.519 -0.214 0.000 1.215 296 W CA 1.417 58.663 57.345 -0.164 0.000 1.244 296 W CB -0.087 29.227 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 -0.234 4.106 4.340 -0.001 0.000 0.202 297 Q C 2.433 178.306 176.000 -0.213 0.000 0.982 297 Q CA 2.152 57.859 55.803 -0.161 0.000 0.838 297 Q CB -0.277 28.440 28.738 -0.035 0.000 0.899 297 Q HN 0.219 nan 8.270 nan 0.000 0.423 298 R N 0.362 120.753 120.500 -0.181 0.000 2.094 298 R HA -0.191 4.149 4.340 -0.001 0.000 0.239 298 R C 2.529 178.622 176.300 -0.345 0.000 1.137 298 R CA 1.704 57.607 56.100 -0.330 0.000 0.943 298 R CB -0.801 29.155 30.300 -0.574 0.000 0.850 298 R HN 0.354 nan 8.270 nan 0.000 0.433 299 L N 0.812 121.894 121.223 -0.235 0.000 1.971 299 L HA -0.258 4.082 4.340 -0.001 0.000 0.215 299 L C 2.238 178.888 176.870 -0.365 0.000 1.072 299 L CA 1.534 56.233 54.840 -0.235 0.000 0.758 299 L CB -0.287 41.499 42.059 -0.454 0.000 0.889 299 L HN 0.186 nan 8.230 nan 0.000 0.433 300 I N 0.447 120.688 120.570 -0.548 0.000 2.163 300 I HA -0.303 3.867 4.170 -0.001 0.000 0.243 300 I C 1.948 177.939 176.117 -0.211 0.000 1.085 300 I CA 1.527 62.556 61.300 -0.452 0.000 1.347 300 I CB -1.653 35.988 38.000 -0.600 0.000 1.044 300 I HN 0.448 nan 8.210 nan 0.000 0.408 301 N N 1.033 119.600 118.700 -0.222 0.000 2.521 301 N HA -0.058 4.682 4.740 -0.001 0.000 0.188 301 N C 1.070 176.536 175.510 -0.072 0.000 1.146 301 N CA 0.450 53.430 53.050 -0.117 0.000 0.893 301 N CB -0.077 38.331 38.487 -0.132 0.000 0.975 301 N HN 0.469 nan 8.380 nan 0.000 0.451 302 N N -0.281 118.362 118.700 -0.094 0.000 2.266 302 N HA 0.090 4.829 4.740 -0.001 0.000 0.217 302 N C -0.617 174.855 175.510 -0.063 0.000 1.211 302 N CA 0.014 53.001 53.050 -0.105 0.000 0.881 302 N CB 0.784 39.167 38.487 -0.173 0.000 1.153 302 N HN 0.150 nan 8.380 nan 0.000 0.489 303 N N -0.146 118.574 118.700 0.033 0.000 2.342 303 N HA 0.141 4.880 4.740 -0.001 0.000 0.293 303 N C 0.336 176.060 175.510 0.358 0.000 1.026 303 N CA -0.442 52.686 53.050 0.130 0.000 0.857 303 N CB 1.769 40.358 38.487 0.170 0.000 1.256 303 N HN 0.143 nan 8.380 nan 0.000 0.484 304 W N 1.918 123.239 121.300 0.034 0.000 2.321 304 W HA -0.128 4.532 4.660 -0.001 0.000 0.306 304 W C 1.120 177.728 176.519 0.148 0.000 1.217 304 W CA 0.269 57.632 57.345 0.030 0.000 1.257 304 W CB 0.342 29.732 29.460 -0.117 0.000 1.145 304 W HN 0.591 nan 8.180 nan 0.000 0.509 305 G N -1.861 107.194 108.800 0.425 0.000 2.550 305 G HA2 0.467 4.427 3.960 -0.001 0.000 0.293 305 G HA3 0.467 4.427 3.960 -0.001 0.000 0.293 305 G C -1.820 173.534 174.900 0.758 0.000 1.402 305 G CA -0.657 44.732 45.100 0.483 0.000 0.784 305 G HN 0.088 nan 8.290 nan 0.000 0.482 306 F N -1.316 119.076 119.950 0.736 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 -1.367 57.008 58.000 0.626 0.000 0.924 306 F CB 1.650 40.880 39.000 0.383 0.000 1.348 306 F HN 0.928 nan 8.300 nan 0.000 0.467 307 R N -0.360 120.342 120.500 0.336 0.000 2.712 307 R HA 0.688 5.028 4.340 -0.001 0.000 0.272 307 R C -3.636 172.588 176.300 -0.127 0.000 1.032 307 R CA -1.933 54.021 56.100 -0.243 0.000 0.874 307 R CB 1.601 31.421 30.300 -0.801 0.000 1.256 307 R HN 0.374 nan 8.270 nan 0.000 0.468 308 P HA 0.314 nan 4.420 nan 0.000 0.278 308 P C -0.731 176.071 177.300 -0.830 0.000 1.238 308 P CA -0.580 61.759 63.100 -1.268 0.000 0.794 308 P CB 1.153 31.525 31.700 -2.214 0.000 0.955 309 K N 0.996 121.084 120.400 -0.521 0.000 2.537 309 K HA 0.281 4.600 4.320 -0.001 0.000 0.216 309 K C 0.401 177.033 176.600 0.054 0.000 1.349 309 K CA 0.755 56.943 56.287 -0.165 0.000 0.841 309 K CB 0.213 32.619 32.500 -0.157 0.000 1.659 309 K HN 0.349 nan 8.250 nan 0.000 0.435 310 K N 0.297 120.683 120.400 -0.023 0.000 2.331 310 K HA 0.552 4.871 4.320 -0.001 0.000 0.238 310 K C -1.224 175.365 176.600 -0.017 0.000 1.058 310 K CA -0.947 55.301 56.287 -0.064 0.000 0.871 310 K CB 1.715 34.140 32.500 -0.125 0.000 1.292 310 K HN -0.087 nan 8.250 nan 0.000 0.470 311 L N -0.354 120.822 121.223 -0.079 0.000 2.513 311 L HA 0.407 4.746 4.340 -0.001 0.000 0.261 311 L C -1.790 175.036 176.870 -0.073 0.000 0.945 311 L CA 0.007 54.829 54.840 -0.030 0.000 0.848 311 L CB 2.481 44.567 42.059 0.046 0.000 1.334 311 L HN 0.513 nan 8.230 nan 0.000 0.407 312 S N 4.374 120.052 115.700 -0.038 0.000 2.779 312 S HA 0.572 5.042 4.470 -0.001 0.000 0.293 312 S C -1.284 173.351 174.600 0.059 0.000 1.150 312 S CA -0.259 57.919 58.200 -0.037 0.000 1.057 312 S CB 0.736 63.876 63.200 -0.100 0.000 1.021 312 S HN 0.472 nan 8.310 nan 0.000 0.485 313 F N 3.670 123.632 119.950 0.020 0.000 2.436 313 F HA 0.660 5.187 4.527 -0.001 0.000 0.340 313 F C -0.139 175.722 175.800 0.102 0.000 1.113 313 F CA -0.403 57.654 58.000 0.097 0.000 1.022 313 F CB 0.817 39.991 39.000 0.291 0.000 1.128 313 F HN 0.385 nan 8.300 nan 0.000 0.466 314 K N 7.235 127.362 120.400 -0.454 0.000 2.513 314 K HA 0.557 4.876 4.320 -0.001 0.000 0.251 314 K C -2.113 174.425 176.600 -0.103 0.000 0.939 314 K CA -0.619 55.592 56.287 -0.126 0.000 0.793 314 K CB 1.498 33.976 32.500 -0.036 0.000 1.241 314 K HN 0.763 nan 8.250 nan 0.000 0.431 315 L N 6.056 127.387 121.223 0.181 0.000 2.341 315 L HA 0.682 5.021 4.340 -0.001 0.000 0.278 315 L C -0.760 176.373 176.870 0.438 0.000 1.005 315 L CA -0.824 54.132 54.840 0.194 0.000 0.818 315 L CB 0.938 43.100 42.059 0.171 0.000 1.259 315 L HN 0.706 nan 8.230 nan 0.000 0.418 316 F N -0.514 119.547 119.950 0.185 0.000 2.985 316 F HA 0.398 4.925 4.527 -0.001 0.000 0.322 316 F C 0.059 175.944 175.800 0.142 0.000 1.187 316 F CA -1.441 56.648 58.000 0.148 0.000 0.910 316 F CB 1.081 40.134 39.000 0.087 0.000 1.411 316 F HN 0.458 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 -0.968 174.541 175.510 -0.002 0.000 1.033 317 N CA 0.566 53.688 53.050 0.120 0.000 0.727 317 N CB -1.141 37.408 38.487 0.103 0.000 0.950 317 N HN 0.470 nan 8.380 nan 0.000 0.541 318 I N 1.004 121.616 120.570 0.069 0.000 2.588 318 I HA 0.012 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 0.485 61.820 61.300 0.059 0.000 1.419 318 I CB 0.667 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 4.851 4.340 -0.001 0.000 0.271 319 Q C -1.374 174.549 176.000 -0.127 0.000 1.046 319 Q CA -0.772 54.975 55.803 -0.094 0.000 0.798 319 Q CB 3.130 31.791 28.738 -0.128 0.000 1.286 319 Q HN 0.384 nan 8.270 nan 0.000 0.435 320 V N 3.365 123.208 119.914 -0.118 0.000 2.311 320 V HA 0.292 4.412 4.120 -0.001 0.000 0.275 320 V C -0.391 175.553 176.094 -0.250 0.000 1.022 320 V CA -0.707 61.492 62.300 -0.167 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 4.271 124.373 120.400 -0.496 0.000 2.183 321 K HA 0.497 4.816 4.320 -0.001 0.000 0.274 321 K C -0.118 176.233 176.600 -0.415 0.000 1.009 321 K CA -0.491 55.490 56.287 -0.510 0.000 0.888 321 K CB 2.198 34.258 32.500 -0.734 0.000 1.078 321 K HN 0.861 nan 8.250 nan 0.000 0.459 322 E N 0.520 120.632 120.200 -0.147 0.000 2.166 322 E HA 0.421 4.771 4.350 -0.001 0.000 0.275 322 E C -0.755 175.877 176.600 0.052 0.000 0.941 322 E CA -0.996 55.392 56.400 -0.020 0.000 0.784 322 E CB 1.874 31.573 29.700 -0.002 0.000 1.115 322 E HN 0.122 nan 8.360 nan 0.000 0.399 323 V N 2.757 122.740 119.914 0.114 0.000 2.630 323 V HA 0.751 4.870 4.120 -0.001 0.000 0.305 323 V C -0.909 175.227 176.094 0.071 0.000 1.046 323 V CA -0.017 62.350 62.300 0.111 0.000 0.934 323 V CB 1.926 33.836 31.823 0.145 0.000 1.003 323 V HN 1.001 nan 8.190 nan 0.000 0.451 324 T N 3.066 117.651 114.554 0.052 0.000 2.879 324 T HA 0.587 4.937 4.350 -0.001 0.000 0.290 324 T C -0.947 173.770 174.700 0.028 0.000 0.993 324 T CA -0.733 61.391 62.100 0.039 0.000 0.975 324 T CB 1.575 70.463 68.868 0.034 0.000 0.981 324 T HN 0.583 nan 8.240 nan 0.000 0.439 325 Q N 3.132 122.945 119.800 0.022 0.000 2.441 325 Q HA 0.405 4.744 4.340 -0.001 0.000 0.234 325 Q C 0.842 176.849 176.000 0.012 0.000 1.078 325 Q CA -0.507 55.304 55.803 0.014 0.000 0.907 325 Q CB 0.621 29.364 28.738 0.009 0.000 1.269 325 Q HN 0.547 nan 8.270 nan 0.000 0.502 326 N N 1.383 120.090 118.700 0.011 0.000 2.124 326 N HA -0.069 4.671 4.740 -0.001 0.000 0.189 326 N C 0.124 175.637 175.510 0.006 0.000 1.050 326 N CA 1.216 54.272 53.050 0.009 0.000 0.848 326 N CB 0.352 38.845 38.487 0.009 0.000 1.027 326 N HN 0.451 nan 8.380 nan 0.000 0.435 327 D N -1.369 119.034 120.400 0.004 0.000 3.013 327 D HA 0.206 4.845 4.640 -0.001 0.000 0.256 327 D C 1.021 177.321 176.300 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 0.276 nan 8.370 nan 0.000 0.304 328 G N -0.093 108.707 108.800 -0.000 0.000 3.969 328 G HA2 0.246 4.206 3.960 -0.001 0.000 0.291 328 G HA3 0.246 4.206 3.960 -0.001 0.000 0.291 328 G C -0.293 174.606 174.900 -0.002 0.000 1.016 328 G CA 0.058 45.157 45.100 -0.002 0.000 0.819 328 G HN 0.219 nan 8.290 nan 0.000 0.493 329 T N 0.661 115.216 114.554 0.000 0.000 2.881 329 T HA 0.504 4.854 4.350 -0.001 0.000 0.291 329 T C -0.151 174.552 174.700 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 69.959 68.868 0.002 0.000 0.970 329 T HN 0.108 nan 8.240 nan 0.000 0.438 330 T N 2.746 117.301 114.554 0.003 0.000 2.723 330 T HA 0.511 4.861 4.350 -0.001 0.000 0.297 330 T C 0.475 175.184 174.700 0.015 0.000 0.925 330 T CA -0.774 61.331 62.100 0.008 0.000 1.030 330 T CB 0.223 69.091 68.868 0.000 0.000 0.905 330 T HN 0.728 nan 8.240 nan 0.000 0.502 331 T N 1.902 116.469 114.554 0.022 0.000 2.795 331 T HA 0.691 5.041 4.350 -0.001 0.000 0.282 331 T C -0.063 174.662 174.700 0.042 0.000 0.980 331 T CA -0.957 61.158 62.100 0.026 0.000 1.012 331 T CB 0.576 69.455 68.868 0.020 0.000 0.936 331 T HN 0.637 nan 8.240 nan 0.000 0.457 332 I N 1.987 122.586 120.570 0.048 0.000 2.433 332 I HA 0.732 4.901 4.170 -0.001 0.000 0.292 332 I C 0.218 176.356 176.117 0.034 0.000 1.001 332 I CA -1.045 60.297 61.300 0.071 0.000 1.119 332 I CB 1.679 39.755 38.000 0.126 0.000 1.289 332 I HN 0.955 nan 8.210 nan 0.000 0.438 333 A N 5.122 127.949 122.820 0.012 0.000 2.525 333 A HA 0.665 4.985 4.320 -0.001 0.000 0.291 333 A C -1.221 176.337 177.584 -0.042 0.000 1.268 333 A CA -0.782 51.249 52.037 -0.010 0.000 0.712 333 A CB 1.386 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 3.800 122.469 118.700 -0.052 0.000 2.955 335 N HA 0.200 4.940 4.740 -0.001 0.000 0.242 335 N C 1.047 176.540 175.510 -0.027 0.000 1.123 335 N CA -0.267 52.763 53.050 -0.032 0.000 0.949 335 N CB 0.163 38.631 38.487 -0.031 0.000 1.214 335 N HN 0.486 nan 8.380 nan 0.000 0.504 336 L N 0.541 121.754 121.223 -0.018 0.000 2.046 336 L HA -0.139 4.201 4.340 -0.001 0.000 0.208 336 L C 2.000 178.869 176.870 -0.002 0.000 1.077 336 L CA 1.527 56.361 54.840 -0.010 0.000 0.747 336 L CB -0.750 41.306 42.059 -0.004 0.000 0.896 336 L HN 0.505 nan 8.230 nan 0.000 0.432 337 T N -3.971 110.583 114.554 -0.001 0.000 3.227 337 T HA -0.010 4.339 4.350 -0.001 0.000 0.257 337 T C 0.817 175.518 174.700 0.002 0.000 1.162 337 T CA 0.015 62.117 62.100 0.003 0.000 1.051 337 T CB -0.101 68.769 68.868 0.004 0.000 0.953 337 T HN 0.117 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 1.068 64.258 63.200 -0.016 0.000 0.988 338 S HN 0.715 nan 8.310 nan 0.000 0.522 339 T N 0.044 114.600 114.554 0.002 0.000 2.926 339 T HA 0.776 5.125 4.350 -0.001 0.000 0.289 339 T C -0.584 174.125 174.700 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 70.228 68.868 0.023 0.000 1.167 339 T HN 0.562 nan 8.240 nan 0.000 0.526 340 V N 0.188 120.125 119.914 0.039 0.000 3.040 340 V HA 0.593 4.713 4.120 -0.001 0.000 0.312 340 V C -1.648 174.469 176.094 0.039 0.000 1.115 340 V CA -0.829 61.488 62.300 0.027 0.000 0.998 340 V CB 2.267 34.136 31.823 0.077 0.000 1.042 340 V HN 1.059 nan 8.190 nan 0.000 0.433 341 Q N 3.227 123.035 119.800 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 0.120 0.000 0.796 341 Q CB 2.537 31.359 28.738 0.140 0.000 1.271 341 Q HN 0.565 nan 8.270 nan 0.000 0.450 342 V N 2.988 122.998 119.914 0.159 0.000 2.823 342 V HA 0.756 4.876 4.120 -0.001 0.000 0.312 342 V C -0.770 175.353 176.094 0.048 0.000 1.072 342 V CA -0.899 61.368 62.300 -0.055 0.000 0.937 342 V CB 1.398 32.862 31.823 -0.598 0.000 1.013 342 V HN 0.778 nan 8.190 nan 0.000 0.430 343 F N 0.310 120.096 119.950 -0.273 0.000 2.703 343 F HA 0.727 5.254 4.527 -0.001 0.000 0.308 343 F C -0.904 174.682 175.800 -0.356 0.000 1.126 343 F CA -0.628 57.231 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 1.505 115.904 114.554 -0.259 0.000 2.786 344 T HA 0.275 4.625 4.350 -0.001 0.000 0.283 344 T C -1.157 173.337 174.700 -0.343 0.000 0.992 344 T CA -0.383 61.404 62.100 -0.522 0.000 0.954 344 T CB 0.581 69.018 68.868 -0.718 0.000 0.934 344 T HN 0.824 nan 8.240 nan 0.000 0.440 345 D N 3.599 123.712 120.400 -0.479 0.000 2.441 345 D HA 0.221 4.861 4.640 -0.001 0.000 0.243 345 D C 0.821 176.867 176.300 -0.423 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 0.449 nan 8.370 nan 0.000 0.514 346 S N 2.294 117.803 115.700 -0.318 0.000 2.503 346 S HA 0.002 4.472 4.470 -0.001 0.000 0.215 346 S C 1.322 175.681 174.600 -0.402 0.000 1.003 346 S CA -0.077 57.884 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 0.459 120.547 120.200 -0.186 0.000 2.489 347 E HA 0.084 4.434 4.350 -0.001 0.000 0.193 347 E C -0.813 175.838 176.600 0.085 0.000 1.057 347 E CA -0.192 56.196 56.400 -0.020 0.000 0.866 347 E CB -0.124 29.596 29.700 0.033 0.000 0.916 347 E HN 0.545 nan 8.360 nan 0.000 0.500 348 Y N 0.386 120.703 120.300 0.029 0.000 3.078 348 Y HA -0.302 4.248 4.550 -0.001 0.000 0.202 348 Y C 1.057 176.945 175.900 -0.021 0.000 1.322 348 Y CA 0.325 58.427 58.100 0.003 0.000 1.118 348 Y CB -2.264 36.198 38.460 0.004 0.000 1.343 348 Y HN 0.206 nan 8.280 nan 0.000 0.499 349 Q N -0.249 119.592 119.800 0.069 0.000 2.378 349 Q HA 0.266 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 0.092 55.908 55.803 0.022 0.000 0.931 349 Q CB 0.700 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 2.408 123.481 121.223 -0.250 0.000 2.312 350 L HA 0.355 4.694 4.340 -0.001 0.000 0.281 350 L C -2.208 174.520 176.870 -0.237 0.000 1.070 350 L CA -2.319 52.244 54.840 -0.461 0.000 0.805 350 L CB 0.892 42.616 42.059 -0.558 0.000 1.174 350 L HN -0.167 nan 8.230 nan 0.000 0.434 351 P HA -0.142 nan 4.420 nan 0.000 0.258 351 P C -1.038 176.319 177.300 0.095 0.000 1.172 351 P CA 0.233 63.337 63.100 0.006 0.000 0.762 351 P CB -0.023 31.716 31.700 0.065 0.000 0.764 352 Y N 3.963 124.273 120.300 0.016 0.000 2.531 352 Y HA 0.115 4.664 4.550 -0.001 0.000 0.347 352 Y C 1.291 177.195 175.900 0.007 0.000 1.024 352 Y CA 0.408 58.520 58.100 0.021 0.000 1.306 352 Y CB 0.450 38.943 38.460 0.055 0.000 1.149 352 Y HN 0.155 nan 8.280 nan 0.000 0.527 353 V N 6.996 126.744 119.914 -0.276 0.000 3.621 353 V HA 0.158 4.277 4.120 -0.001 0.000 0.285 353 V C 0.457 176.361 176.094 -0.317 0.000 1.346 353 V CA 0.219 62.364 62.300 -0.259 0.000 1.104 353 V CB -0.470 31.123 31.823 -0.383 0.000 0.913 353 V HN 0.580 nan 8.190 nan 0.000 0.432 354 L N 0.114 121.029 121.223 -0.514 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 0.514 55.137 54.840 -0.361 0.000 0.809 354 L CB 0.225 41.969 42.059 -0.525 0.000 1.155 354 L HN 0.305 nan 8.230 nan 0.000 0.473 355 G N 0.501 109.235 108.800 -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 0.384 175.292 174.900 0.013 0.000 1.042 355 G CA 0.374 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 -0.548 115.175 115.700 0.038 0.000 2.855 356 S HA 0.587 5.056 4.470 -0.001 0.000 0.249 356 S C 1.455 175.977 174.600 -0.130 0.000 1.033 356 S CA 1.027 59.239 58.200 0.020 0.000 1.038 356 S CB 0.675 63.966 63.200 0.152 0.000 0.960 356 S HN 2.187 nan 8.310 nan 0.000 0.548 357 A N 1.508 124.288 122.820 -0.067 0.000 2.861 357 A HA -0.214 4.105 4.320 -0.001 0.000 0.261 357 A C 0.332 177.862 177.584 -0.089 0.000 1.351 357 A CA 0.882 52.878 52.037 -0.068 0.000 0.904 357 A CB -2.280 16.674 19.000 -0.077 0.000 1.076 357 A HN 0.674 nan 8.150 nan 0.000 0.729 358 H N 0.096 119.161 119.070 -0.008 0.000 2.745 358 H HA 0.297 4.853 4.556 -0.001 0.000 0.373 358 H C 0.945 176.293 175.328 0.034 0.000 1.226 358 H CA 0.858 56.914 56.048 0.014 0.000 1.435 358 H CB 0.364 30.140 29.762 0.024 0.000 1.461 358 H HN 0.741 nan 8.280 nan 0.000 0.616 359 Q N -0.874 119.037 119.800 0.186 0.000 2.180 359 Q HA 0.414 4.754 4.340 -0.001 0.000 0.241 359 Q C 0.581 176.643 176.000 0.103 0.000 0.970 359 Q CA -0.293 55.584 55.803 0.123 0.000 0.919 359 Q CB 1.684 30.484 28.738 0.102 0.000 1.222 359 Q HN 0.971 nan 8.270 nan 0.000 0.482 360 G N -0.494 108.349 108.800 0.072 0.000 2.159 360 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.170 360 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.170 360 G C 0.220 175.097 174.900 -0.040 0.000 1.007 360 G CA -0.372 44.749 45.100 0.035 0.000 0.672 360 G HN 0.608 nan 8.290 nan 0.000 0.507 361 C N 0.267 119.548 119.300 -0.033 0.000 2.827 361 C HA 0.557 5.017 4.460 -0.001 0.000 0.287 361 C C 1.610 176.424 174.990 -0.293 0.000 1.497 361 C CA -0.347 58.615 59.018 -0.094 0.000 2.161 361 C CB -0.327 27.388 27.740 -0.041 0.000 2.120 361 C HN 0.493 nan 8.230 nan 0.000 0.676 362 L N 2.150 123.222 121.223 -0.251 0.000 2.380 362 L HA 0.259 4.599 4.340 -0.001 0.000 0.273 362 L C -2.115 174.721 176.870 -0.057 0.000 1.138 362 L CA -1.237 53.397 54.840 -0.343 0.000 0.832 362 L CB 0.025 41.985 42.059 -0.165 0.000 1.124 362 L HN 0.391 nan 8.230 nan 0.000 0.454 363 P HA 0.037 nan 4.420 nan 0.000 0.265 363 P C -2.062 175.338 177.300 0.165 0.000 1.193 363 P CA -0.902 62.285 63.100 0.145 0.000 0.765 363 P CB 0.209 32.028 31.700 0.198 0.000 0.823 364 P HA -0.140 nan 4.420 nan 0.000 0.215 364 P C 0.257 177.538 177.300 -0.032 0.000 1.157 364 P CA 1.161 64.324 63.100 0.106 0.000 0.868 364 P CB -0.046 31.591 31.700 -0.105 0.000 0.788 365 F N 0.111 119.865 119.950 -0.327 0.000 2.420 365 F HA 0.245 4.772 4.527 -0.001 0.000 0.352 365 F C -1.628 174.126 175.800 -0.078 0.000 1.108 365 F CA -2.863 54.894 58.000 -0.406 0.000 1.162 365 F CB 0.786 39.477 39.000 -0.515 0.000 1.118 365 F HN -0.091 nan 8.300 nan 0.000 0.510 366 P HA -0.158 nan 4.420 nan 0.000 0.218 366 P C 1.024 178.291 177.300 -0.055 0.000 1.148 366 P CA 1.924 64.919 63.100 -0.174 0.000 0.822 366 P CB 0.061 31.652 31.700 -0.182 0.000 0.784 367 A N -1.141 121.488 122.820 -0.319 0.000 2.119 367 A HA -0.058 4.262 4.320 -0.001 0.000 0.217 367 A C 0.759 178.448 177.584 0.175 0.000 1.153 367 A CA 0.771 52.797 52.037 -0.017 0.000 0.692 367 A CB -1.011 18.037 19.000 0.080 0.000 0.799 367 A HN 0.111 nan 8.150 nan 0.000 0.458 368 D N -0.418 120.134 120.400 0.253 0.000 2.345 368 D HA 0.416 5.056 4.640 -0.001 0.000 0.247 368 D C -0.206 176.250 176.300 0.260 0.000 1.108 368 D CA 0.165 54.322 54.000 0.261 0.000 0.894 368 D CB 1.394 42.364 40.800 0.283 0.000 1.203 368 D HN -0.015 nan 8.370 nan 0.000 0.430 369 V N 2.505 122.551 119.914 0.220 0.000 2.612 369 V HA 0.561 4.681 4.120 -0.001 0.000 0.301 369 V C -0.132 176.125 176.094 0.271 0.000 1.046 369 V CA -0.745 61.680 62.300 0.208 0.000 0.946 369 V CB 0.959 32.832 31.823 0.083 0.000 1.003 369 V HN 0.446 nan 8.190 nan 0.000 0.459 370 F N 1.924 121.959 119.950 0.142 0.000 2.593 370 F HA 0.787 5.314 4.527 -0.001 0.000 0.320 370 F C -0.531 175.348 175.800 0.132 0.000 1.060 370 F CA -1.330 56.750 58.000 0.133 0.000 0.940 370 F CB 1.990 41.079 39.000 0.149 0.000 1.268 370 F HN 0.475 nan 8.300 nan 0.000 0.475 371 M N 3.557 123.255 119.600 0.163 0.000 2.209 371 M HA 0.507 4.987 4.480 -0.001 0.000 0.355 371 M C -1.337 175.046 176.300 0.139 0.000 1.171 371 M CA -0.851 54.481 55.300 0.054 0.000 1.069 371 M CB 1.461 34.105 32.600 0.074 0.000 1.622 371 M HN 0.621 nan 8.290 nan 0.000 0.459 372 V N 8.276 128.191 119.914 0.001 0.000 2.439 372 V HA 0.192 4.312 4.120 -0.001 0.000 0.271 372 V C -1.995 174.026 176.094 -0.122 0.000 1.040 372 V CA -1.157 61.085 62.300 -0.096 0.000 1.002 372 V CB 0.147 31.761 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 -0.566 176.336 177.300 -0.663 0.000 1.238 373 P CA -0.162 62.652 63.100 -0.476 0.000 0.794 373 P CB 0.482 31.713 31.700 -0.783 0.000 0.959 374 Q N 0.221 119.638 119.800 -0.640 0.000 2.266 374 Q HA 0.286 4.626 4.340 -0.001 0.000 0.261 374 Q C -1.408 174.597 176.000 0.008 0.000 0.985 374 Q CA -0.828 54.550 55.803 -0.707 0.000 0.873 374 Q CB 0.682 28.703 28.738 -1.195 0.000 1.306 374 Q HN 0.361 nan 8.270 nan 0.000 0.447 375 Y N 1.360 121.670 120.300 0.017 0.000 2.336 375 Y HA 0.553 5.103 4.550 -0.001 0.000 0.335 375 Y C -0.290 175.651 175.900 0.069 0.000 1.046 375 Y CA 0.255 58.407 58.100 0.086 0.000 1.198 375 Y CB 1.148 39.661 38.460 0.087 0.000 1.182 375 Y HN 0.625 nan 8.280 nan 0.000 0.502 376 G N 5.812 114.312 108.800 -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 -2.243 172.406 174.900 -0.420 0.000 1.424 376 G CA -0.802 44.091 45.100 -0.345 0.000 1.029 376 G HN 0.740 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 -0.169 0.000 1.065 377 Y CB 1.591 39.993 38.460 -0.096 0.000 1.288 377 Y HN 0.459 nan 8.280 nan 0.000 0.481 378 L N 1.394 122.736 121.223 0.197 0.000 2.304 378 L HA 0.838 5.178 4.340 -0.001 0.000 0.268 378 L C -0.443 176.622 176.870 0.324 0.000 1.010 378 L CA -0.744 54.208 54.840 0.187 0.000 0.813 378 L CB 2.482 44.645 42.059 0.173 0.000 1.315 378 L HN 0.938 nan 8.230 nan 0.000 0.445 379 T N 0.005 114.744 114.554 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 -0.715 61.590 62.100 0.341 0.000 1.008 379 T CB 1.601 70.722 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 4.692 4.340 -0.001 0.000 0.276 380 L C -0.088 176.865 176.870 0.138 0.000 1.212 380 L CA 0.388 55.326 54.840 0.163 0.000 0.893 380 L CB -0.692 41.442 42.059 0.125 0.000 1.138 380 L HN 0.900 nan 8.230 nan 0.000 0.491 381 N N 1.698 120.461 118.700 0.105 0.000 2.329 381 N HA 0.336 5.076 4.740 -0.001 0.000 0.282 381 N C -1.271 174.242 175.510 0.005 0.000 1.198 381 N CA -0.803 52.273 53.050 0.043 0.000 0.790 381 N CB 0.952 39.509 38.487 0.117 0.000 1.579 381 N HN 0.422 nan 8.380 nan 0.000 0.475 382 N N 0.832 119.493 118.700 -0.065 0.000 3.044 382 N HA 0.392 5.132 4.740 -0.001 0.000 0.254 382 N C 0.553 175.984 175.510 -0.131 0.000 1.253 382 N CA 0.875 53.882 53.050 -0.072 0.000 0.944 382 N CB -0.227 38.213 38.487 -0.078 0.000 1.217 382 N HN 1.025 nan 8.380 nan 0.000 0.498 383 G N 1.831 110.545 108.800 -0.144 0.000 2.527 383 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G C 0.827 175.507 174.900 -0.367 0.000 1.153 383 G CA 0.496 45.358 45.100 -0.397 0.000 0.954 383 G HN 0.719 nan 8.290 nan 0.000 0.552 384 S N 0.387 115.837 115.700 -0.418 0.000 2.496 384 S HA 0.287 4.757 4.470 -0.001 0.000 0.224 384 S C 1.106 175.629 174.600 -0.128 0.000 0.996 384 S CA 1.460 59.582 58.200 -0.130 0.000 0.927 384 S CB 0.164 63.331 63.200 -0.056 0.000 0.774 384 S HN 0.768 nan 8.310 nan 0.000 0.524 385 Q N 0.490 120.169 119.800 -0.202 0.000 2.185 385 Q HA 0.749 5.089 4.340 -0.001 0.000 0.225 385 Q C -0.462 175.291 176.000 -0.411 0.000 0.983 385 Q CA -0.513 55.116 55.803 -0.290 0.000 0.950 385 Q CB 1.329 29.935 28.738 -0.220 0.000 1.176 385 Q HN 0.473 nan 8.270 nan 0.000 0.510 386 A N 0.307 122.768 122.820 -0.598 0.000 2.350 386 A HA 0.694 5.014 4.320 -0.001 0.000 0.318 386 A C -0.789 176.625 177.584 -0.284 0.000 1.132 386 A CA -0.619 51.078 52.037 -0.567 0.000 0.811 386 A CB 1.072 19.415 19.000 -1.096 0.000 1.313 386 A HN 0.443 nan 8.150 nan 0.000 0.454 387 V N 0.065 119.887 119.914 -0.153 0.000 3.109 387 V HA 0.495 4.614 4.120 -0.001 0.000 0.317 387 V C 1.752 177.813 176.094 -0.054 0.000 1.074 387 V CA 0.298 62.550 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 0.319 109.099 108.800 -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 1.261 176.168 174.900 0.011 0.000 1.125 388 G CA 0.164 45.255 45.100 -0.014 0.000 0.775 388 G HN 0.653 nan 8.290 nan 0.000 0.548 389 R N 0.513 121.025 120.500 0.020 0.000 2.310 389 R HA 0.188 4.528 4.340 -0.001 0.000 0.202 389 R C 0.593 176.933 176.300 0.066 0.000 0.933 389 R CA -0.178 55.946 56.100 0.041 0.000 1.054 389 R CB 0.164 30.491 30.300 0.044 0.000 0.985 389 R HN 0.181 nan 8.270 nan 0.000 0.489 390 S N 0.388 116.132 115.700 0.074 0.000 2.589 390 S HA 0.149 4.619 4.470 -0.001 0.000 0.265 390 S C 0.174 174.846 174.600 0.120 0.000 1.342 390 S CA -0.042 58.238 58.200 0.134 0.000 1.005 390 S CB 1.289 64.594 63.200 0.175 0.000 0.909 390 S HN 0.048 nan 8.310 nan 0.000 0.555 391 S N 1.203 116.980 115.700 0.129 0.000 2.532 391 S HA 0.538 5.008 4.470 -0.001 0.000 0.299 391 S C -1.180 173.323 174.600 -0.162 0.000 1.105 391 S CA -0.575 57.566 58.200 -0.099 0.000 1.018 391 S CB 0.871 63.932 63.200 -0.231 0.000 1.021 391 S HN 0.526 nan 8.310 nan 0.000 0.483 392 F N 3.880 123.566 119.950 -0.439 0.000 2.427 392 F HA 0.620 5.146 4.527 -0.001 0.000 0.346 392 F C -1.537 173.940 175.800 -0.538 0.000 1.120 392 F CA -1.253 56.461 58.000 -0.476 0.000 1.033 392 F CB 0.451 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 5.223 125.185 120.300 -0.564 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 -0.792 0.000 0.965 393 Y CA -0.954 56.797 58.100 -0.582 0.000 1.108 393 Y CB 1.672 39.876 38.460 -0.427 0.000 1.180 393 Y HN 0.721 nan 8.280 nan 0.000 0.458 394 C N 5.955 124.953 119.300 -0.504 0.000 2.281 394 C HA 0.406 4.866 4.460 -0.001 0.000 0.323 394 C C 0.825 175.825 174.990 0.016 0.000 1.270 394 C CA -0.730 58.004 59.018 -0.472 0.000 1.559 394 C CB -0.970 26.469 27.740 -0.501 0.000 2.239 394 C HN 0.976 nan 8.230 nan 0.000 0.488 395 L N 4.388 125.688 121.223 0.129 0.000 2.622 395 L HA 0.096 4.436 4.340 -0.001 0.000 0.233 395 L C 2.230 179.137 176.870 0.062 0.000 1.156 395 L CA 1.301 56.099 54.840 -0.069 0.000 0.866 395 L CB -0.466 41.179 42.059 -0.690 0.000 0.980 395 L HN 0.688 nan 8.230 nan 0.000 0.448 396 E N -1.643 118.747 120.200 0.317 0.000 2.371 396 E HA -0.134 4.216 4.350 -0.001 0.000 0.194 396 E C 1.346 178.041 176.600 0.159 0.000 1.012 396 E CA 0.517 57.108 56.400 0.319 0.000 0.860 396 E CB -0.089 29.828 29.700 0.362 0.000 0.811 396 E HN 0.548 nan 8.360 nan 0.000 0.502 397 Y N -0.074 120.218 120.300 -0.014 0.000 2.477 397 Y HA 0.080 4.629 4.550 -0.001 0.000 0.303 397 Y C -0.300 175.389 175.900 -0.353 0.000 1.202 397 Y CA -0.138 57.869 58.100 -0.156 0.000 1.282 397 Y CB -0.033 38.307 38.460 -0.199 0.000 1.071 397 Y HN -0.229 nan 8.280 nan 0.000 0.510 398 F N 1.333 121.028 119.950 -0.425 0.000 2.436 398 F HA 0.413 4.940 4.527 -0.001 0.000 0.340 398 F C -2.058 173.375 175.800 -0.612 0.000 1.113 398 F CA -3.117 54.474 58.000 -0.682 0.000 1.022 398 F CB 0.755 38.959 39.000 -1.327 0.000 1.128 398 F HN -0.070 nan 8.300 nan 0.000 0.466 399 P HA 0.123 nan 4.420 nan 0.000 0.262 399 P C -0.974 176.249 177.300 -0.128 0.000 1.199 399 P CA -0.002 62.989 63.100 -0.182 0.000 0.763 399 P CB 0.537 32.157 31.700 -0.134 0.000 0.790 400 S N 1.837 117.526 115.700 -0.019 0.000 2.548 400 S HA 0.397 4.867 4.470 -0.001 0.000 0.286 400 S C -0.811 173.886 174.600 0.162 0.000 1.098 400 S CA -0.991 57.291 58.200 0.137 0.000 0.930 400 S CB 1.683 65.048 63.200 0.274 0.000 1.070 400 S HN 0.431 nan 8.310 nan 0.000 0.480 401 Q N 1.966 121.892 119.800 0.210 0.000 2.279 401 Q HA 0.413 4.753 4.340 -0.001 0.000 0.256 401 Q C -1.004 175.100 176.000 0.172 0.000 0.937 401 Q CA -0.269 55.652 55.803 0.197 0.000 0.933 401 Q CB 0.583 29.492 28.738 0.286 0.000 1.189 401 Q HN 0.748 nan 8.270 nan 0.000 0.417 402 M N 4.300 123.980 119.600 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 0.980 33.626 32.600 0.076 0.000 1.622 402 M HN 0.445 nan 8.290 nan 0.000 0.459 403 L N 2.653 123.940 121.223 0.106 0.000 2.362 403 L HA 0.604 4.944 4.340 -0.001 0.000 0.275 403 L C -0.177 176.747 176.870 0.090 0.000 0.998 403 L CA -0.356 54.553 54.840 0.115 0.000 0.820 403 L CB 1.761 43.913 42.059 0.154 0.000 1.270 403 L HN 0.596 nan 8.230 nan 0.000 0.415 404 R N -0.099 120.448 120.500 0.079 0.000 2.606 404 R HA 0.651 4.990 4.340 -0.001 0.000 0.249 404 R C -0.525 175.817 176.300 0.069 0.000 1.127 404 R CA -0.538 55.598 56.100 0.060 0.000 1.133 404 R CB 1.019 31.346 30.300 0.046 0.000 1.243 404 R HN 0.639 nan 8.270 nan 0.000 0.558 405 T N 0.813 115.397 114.554 0.050 0.000 2.784 405 T HA 0.336 4.686 4.350 -0.001 0.000 0.291 405 T C 0.785 175.520 174.700 0.058 0.000 0.942 405 T CA 0.950 63.081 62.100 0.051 0.000 1.161 405 T CB 0.523 69.407 68.868 0.026 0.000 0.885 405 T HN 0.784 nan 8.240 nan 0.000 0.534 406 G N 3.555 112.402 108.800 0.079 0.000 2.211 406 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.201 406 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.201 406 G C 0.019 174.975 174.900 0.094 0.000 0.997 406 G CA -0.793 44.354 45.100 0.079 0.000 0.652 406 G HN 0.600 nan 8.290 nan 0.000 0.500 407 N N 1.652 120.417 118.700 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 53.006 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 -0.347 118.465 118.700 0.186 0.000 2.455 408 N HA 0.439 5.179 4.740 -0.001 0.000 0.278 408 N C -1.760 173.921 175.510 0.285 0.000 1.291 408 N CA -0.583 52.614 53.050 0.245 0.000 0.780 408 N CB 1.329 39.942 38.487 0.211 0.000 1.520 408 N HN 0.359 nan 8.380 nan 0.000 0.486 409 F N -0.012 120.031 119.950 0.155 0.000 2.520 409 F HA 0.532 5.058 4.527 -0.000 0.000 0.322 409 F C -0.692 175.208 175.800 0.167 0.000 1.103 409 F CA -0.454 57.640 58.000 0.157 0.000 0.926 409 F CB 2.032 41.137 39.000 0.176 0.000 1.154 409 F HN 0.569 nan 8.300 nan 0.000 0.453 410 Q N 5.114 124.546 119.800 -0.614 0.000 2.375 410 Q HA 0.613 4.952 4.340 -0.001 0.000 0.271 410 Q C -2.096 173.674 176.000 -0.382 0.000 1.074 410 Q CA -0.609 54.993 55.803 -0.335 0.000 0.808 410 Q CB 2.166 30.788 28.738 -0.194 0.000 1.327 410 Q HN 0.680 nan 8.270 nan 0.000 0.441 411 F N 1.053 120.872 119.950 -0.219 0.000 2.622 411 F HA 0.599 5.125 4.527 -0.001 0.000 0.318 411 F C -1.528 174.263 175.800 -0.016 0.000 1.135 411 F CA -0.251 57.679 58.000 -0.116 0.000 1.015 411 F CB 1.679 40.683 39.000 0.006 0.000 1.275 411 F HN 0.484 nan 8.300 nan 0.000 0.457 412 S N 5.178 120.371 115.700 -0.845 0.000 2.500 412 S HA 0.561 5.031 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 -0.555 57.244 58.200 -0.668 0.000 1.030 412 S CB 1.668 64.645 63.200 -0.371 0.000 1.031 412 S HN 0.623 nan 8.310 nan 0.000 0.483 413 Y N 1.349 121.221 120.300 -0.713 0.000 2.545 413 Y HA 0.639 5.189 4.550 -0.001 0.000 0.348 413 Y C -0.961 174.671 175.900 -0.447 0.000 1.002 413 Y CA -0.470 57.276 58.100 -0.589 0.000 1.039 413 Y CB 1.801 39.956 38.460 -0.508 0.000 1.271 413 Y HN 0.522 nan 8.280 nan 0.000 0.467 414 T N 6.304 120.082 114.554 -1.292 0.000 2.864 414 T HA 0.380 4.730 4.350 -0.001 0.000 0.299 414 T C -0.877 173.108 174.700 -1.190 0.000 1.011 414 T CA -0.431 61.098 62.100 -0.951 0.000 0.975 414 T CB -0.087 68.472 68.868 -0.515 0.000 0.962 414 T HN 0.453 nan 8.240 nan 0.000 0.448 415 F N 2.972 122.469 119.950 -0.755 0.000 2.595 415 F HA 0.137 4.664 4.527 -0.001 0.000 0.359 415 F C 1.627 177.238 175.800 -0.314 0.000 1.147 415 F CA -0.198 57.545 58.000 -0.428 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 0.653 120.864 120.200 0.018 0.000 2.622 416 E HA 0.175 4.525 4.350 -0.001 0.000 0.255 416 E C -1.186 175.396 176.600 -0.031 0.000 1.313 416 E CA -0.980 55.410 56.400 -0.017 0.000 1.011 416 E CB 0.345 30.066 29.700 0.035 0.000 1.173 416 E HN 0.356 nan 8.360 nan 0.000 0.601 417 D N 0.475 120.852 120.400 -0.038 0.000 2.358 417 D HA 0.226 4.866 4.640 -0.001 0.000 0.258 417 D C -1.138 175.132 176.300 -0.049 0.000 1.223 417 D CA 0.122 54.090 54.000 -0.055 0.000 0.886 417 D CB 1.194 41.975 40.800 -0.032 0.000 1.120 417 D HN 0.230 nan 8.370 nan 0.000 0.482 418 V N 4.569 124.423 119.914 -0.099 0.000 2.668 418 V HA 0.397 4.516 4.120 -0.001 0.000 0.304 418 V C -2.559 173.500 176.094 -0.058 0.000 1.071 418 V CA -2.218 60.052 62.300 -0.050 0.000 0.894 418 V CB 2.152 33.958 31.823 -0.029 0.000 1.008 418 V HN 0.342 nan 8.190 nan 0.000 0.425 419 P HA 0.075 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 0.398 63.580 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 1.341 121.383 119.950 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 0.654 58.764 58.000 0.184 0.000 1.352 420 F CB -0.093 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 0.651 119.826 119.070 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 2.761 117.850 115.700 -1.018 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 -0.807 0.000 1.045 422 S CB 0.053 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 4.672 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 -0.445 57.811 58.200 0.094 0.000 1.017 423 S CB -0.590 62.786 63.200 0.293 0.000 0.780 423 S HN 0.803 nan 8.310 nan 0.000 0.476 424 Y N -1.583 118.598 120.300 -0.198 0.000 2.638 424 Y HA 0.886 5.436 4.550 -0.001 0.000 0.339 424 Y C -0.767 174.917 175.900 -0.361 0.000 1.084 424 Y CA -1.944 55.966 58.100 -0.317 0.000 1.068 424 Y CB 0.781 38.837 38.460 -0.674 0.000 1.294 424 Y HN -0.066 nan 8.280 nan 0.000 0.480 425 A N 1.247 123.933 122.820 -0.222 0.000 2.422 425 A HA 0.523 4.843 4.320 -0.001 0.000 0.302 425 A C -1.543 175.927 177.584 -0.190 0.000 1.041 425 A CA -0.909 50.958 52.037 -0.284 0.000 0.708 425 A CB 0.706 19.616 19.000 -0.149 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 0.127 4.682 4.556 -0.001 0.000 0.330 426 H C 1.251 176.574 175.328 -0.008 0.000 1.057 426 H CA 0.922 56.971 56.048 0.001 0.000 1.458 426 H CB 1.184 30.941 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 0.676 175.313 174.600 0.062 0.000 0.985 427 S CA -0.094 58.147 58.200 0.069 0.000 0.914 427 S CB 0.559 63.795 63.200 0.060 0.000 0.776 427 S HN 0.571 nan 8.310 nan 0.000 0.526 428 Q N 0.658 120.499 119.800 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 -0.628 55.193 55.803 0.031 0.000 0.913 428 Q CB 1.854 30.598 28.738 0.011 0.000 1.286 428 Q HN 0.304 nan 8.270 nan 0.000 0.480 429 S N -0.464 115.231 115.700 -0.007 0.000 2.638 429 S HA 0.380 4.850 4.470 -0.001 0.000 0.302 429 S C 0.715 175.296 174.600 -0.032 0.000 1.096 429 S CA -0.610 57.578 58.200 -0.021 0.000 0.953 429 S CB 0.893 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 1.455 122.657 121.223 -0.034 0.000 2.017 430 L HA -0.077 4.263 4.340 -0.001 0.000 0.208 430 L C 2.017 178.899 176.870 0.020 0.000 1.073 430 L CA 1.887 56.723 54.840 -0.007 0.000 0.745 430 L CB -0.341 41.722 42.059 0.007 0.000 0.894 430 L HN 0.826 nan 8.230 nan 0.000 0.432 431 D N -1.171 119.229 120.400 -0.000 0.000 2.289 431 D HA -0.123 4.517 4.640 -0.001 0.000 0.207 431 D C 0.948 177.240 176.300 -0.012 0.000 0.966 431 D CA 0.382 54.376 54.000 -0.009 0.000 0.868 431 D CB -0.065 40.719 40.800 -0.027 0.000 0.943 431 D HN 0.167 nan 8.370 nan 0.000 0.514 432 R N 0.980 121.475 120.500 -0.009 0.000 3.863 432 R HA 0.229 4.569 4.340 -0.001 0.000 0.304 432 R C 0.730 177.029 176.300 -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 0.412 121.638 121.223 0.006 0.000 2.575 433 L HA 0.197 4.536 4.340 -0.001 0.000 0.228 433 L C 0.441 177.319 176.870 0.015 0.000 1.075 433 L CA 0.762 55.611 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 -0.719 118.882 119.600 0.002 0.000 1.801 434 M HA 0.215 4.695 4.480 -0.001 0.000 0.198 434 M C 0.445 176.739 176.300 -0.010 0.000 1.248 434 M CA -0.056 55.239 55.300 -0.009 0.000 0.893 434 M CB -0.818 31.763 32.600 -0.032 0.000 1.199 434 M HN -0.135 nan 8.290 nan 0.000 0.482 435 N N 0.480 119.170 118.700 -0.017 0.000 2.422 435 N HA 0.347 5.086 4.740 -0.001 0.000 0.266 435 N C -2.212 173.289 175.510 -0.015 0.000 1.007 435 N CA -1.677 51.366 53.050 -0.012 0.000 0.941 435 N CB 1.050 39.532 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 0.903 178.197 177.300 -0.009 0.000 1.148 436 P CA 0.642 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 -2.035 119.183 121.223 -0.007 0.000 2.316 437 L HA 0.126 4.466 4.340 -0.001 0.000 0.207 437 L C 1.085 177.953 176.870 -0.004 0.000 1.070 437 L CA 0.759 55.597 54.840 -0.005 0.000 0.820 437 L CB -0.424 41.633 42.059 -0.002 0.000 0.992 437 L HN -0.139 nan 8.230 nan 0.000 0.466 438 I N -0.408 120.158 120.570 -0.007 0.000 2.577 438 I HA 0.282 4.451 4.170 -0.001 0.000 0.305 438 I C -0.513 175.593 176.117 -0.020 0.000 0.986 438 I CA -0.833 60.464 61.300 -0.006 0.000 1.189 438 I CB 1.007 39.008 38.000 0.001 0.000 1.355 438 I HN -0.019 nan 8.210 nan 0.000 0.476 439 D N 2.948 123.337 120.400 -0.018 0.000 2.253 439 D HA 0.358 4.998 4.640 -0.001 0.000 0.249 439 D C 0.060 176.320 176.300 -0.068 0.000 1.049 439 D CA -0.403 53.574 54.000 -0.039 0.000 0.929 439 D CB 0.770 41.552 40.800 -0.030 0.000 1.176 439 D HN 0.338 nan 8.370 nan 0.000 0.437 440 Q N 0.252 119.980 119.800 -0.120 0.000 2.417 440 Q HA 0.136 4.476 4.340 -0.001 0.000 0.241 440 Q C 0.175 176.066 176.000 -0.182 0.000 1.008 440 Q CA -0.235 55.433 55.803 -0.225 0.000 0.901 440 Q CB 0.635 29.224 28.738 -0.248 0.000 1.259 440 Q HN 0.676 nan 8.270 nan 0.000 0.489 441 Y N -0.844 119.422 120.300 -0.057 0.000 2.457 441 Y HA 0.367 4.917 4.550 -0.001 0.000 0.263 441 Y C -0.062 175.820 175.900 -0.031 0.000 1.164 441 Y CA -0.494 57.580 58.100 -0.043 0.000 1.274 441 Y CB 0.297 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 0.908 122.097 121.223 -0.057 0.000 2.399 442 L HA 0.370 4.710 4.340 -0.001 0.000 0.265 442 L C -1.021 175.827 176.870 -0.037 0.000 1.089 442 L CA -0.943 53.934 54.840 0.063 0.000 0.802 442 L CB 0.935 42.983 42.059 -0.017 0.000 1.180 442 L HN 0.095 nan 8.230 nan 0.000 0.454 443 Y N 0.505 120.865 120.300 0.101 0.000 2.429 443 Y HA 0.461 5.010 4.550 -0.001 0.000 0.342 443 Y C -0.413 175.594 175.900 0.177 0.000 1.004 443 Y CA -0.574 57.582 58.100 0.093 0.000 1.075 443 Y CB 1.791 40.238 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 0.735 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 -1.752 56.481 58.100 0.223 0.000 1.065 444 Y CB 1.163 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 2.889 124.320 121.223 0.347 0.000 2.276 445 L HA 0.404 4.743 4.340 -0.001 0.000 0.286 445 L C 0.006 176.928 176.870 0.087 0.000 1.061 445 L CA -0.164 54.742 54.840 0.110 0.000 0.807 445 L CB 0.880 42.977 42.059 0.064 0.000 1.177 445 L HN 1.070 nan 8.230 nan 0.000 0.429 446 N N 2.188 120.856 118.700 -0.054 0.000 2.145 446 N HA 0.173 4.913 4.740 -0.001 0.000 0.219 446 N C -0.488 175.007 175.510 -0.025 0.000 1.266 446 N CA -0.647 52.432 53.050 0.049 0.000 0.902 446 N CB 0.642 39.203 38.487 0.124 0.000 1.078 446 N HN 0.312 nan 8.380 nan 0.000 0.513 447 R N 0.965 121.398 120.500 -0.111 0.000 2.502 447 R HA 0.263 4.602 4.340 -0.001 0.000 0.300 447 R C -0.001 176.210 176.300 -0.147 0.000 0.984 447 R CA -0.311 55.725 56.100 -0.107 0.000 0.882 447 R CB 1.479 31.717 30.300 -0.103 0.000 1.180 447 R HN 0.269 nan 8.270 nan 0.000 0.444 448 T N -1.783 112.712 114.554 -0.098 0.000 3.034 448 T HA -0.045 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 0.488 62.531 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 0.968 120.732 119.800 -0.059 0.000 2.534 449 Q HA 0.371 4.711 4.340 -0.001 0.000 0.207 449 Q C 1.599 177.574 176.000 -0.041 0.000 0.735 449 Q CA -0.012 55.764 55.803 -0.045 0.000 0.904 449 Q CB -0.567 28.151 28.738 -0.032 0.000 1.294 449 Q HN 0.294 nan 8.270 nan 0.000 0.553 450 G N 2.266 111.044 108.800 -0.036 0.000 2.198 450 G HA2 0.195 4.155 3.960 -0.001 0.000 0.280 450 G HA3 0.195 4.155 3.960 -0.001 0.000 0.280 450 G C -0.308 174.573 174.900 -0.032 0.000 0.954 450 G CA 0.767 45.850 45.100 -0.029 0.000 1.281 450 G HN 0.364 nan 8.290 nan 0.000 0.373 451 T N 0.951 115.488 114.554 -0.028 0.000 2.849 451 T HA 0.307 4.657 4.350 -0.001 0.000 0.272 451 T C 1.026 175.715 174.700 -0.019 0.000 1.046 451 T CA -0.525 61.559 62.100 -0.027 0.000 0.983 451 T CB 0.543 69.394 68.868 -0.028 0.000 1.721 451 T HN 0.164 nan 8.240 nan 0.000 0.594 452 T N 2.729 117.274 114.554 -0.016 0.000 4.216 452 T HA 0.106 4.456 4.350 -0.001 0.000 0.221 452 T C 0.457 175.150 174.700 -0.011 0.000 0.939 452 T CA 0.128 62.221 62.100 -0.011 0.000 1.218 452 T CB -0.788 68.074 68.868 -0.009 0.000 1.266 452 T HN 0.494 nan 8.240 nan 0.000 0.917 453 S N 1.948 117.641 115.700 -0.011 0.000 2.429 453 S HA 0.483 4.952 4.470 -0.001 0.000 0.292 453 S C 1.146 175.741 174.600 -0.008 0.000 1.183 453 S CA 0.179 58.373 58.200 -0.010 0.000 1.088 453 S CB -0.123 63.070 63.200 -0.011 0.000 1.018 453 S HN 0.843 nan 8.310 nan 0.000 0.511 454 G N 3.582 112.378 108.800 -0.008 0.000 4.170 454 G HA2 0.162 4.122 3.960 -0.001 0.000 0.143 454 G HA3 0.162 4.122 3.960 -0.001 0.000 0.143 454 G C -0.298 174.598 174.900 -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 2.280 116.831 114.554 -0.006 0.000 2.794 455 T HA 0.498 4.848 4.350 -0.001 0.000 0.280 455 T C 0.343 175.039 174.700 -0.007 0.000 0.987 455 T CA 0.608 62.705 62.100 -0.006 0.000 0.993 455 T CB 1.349 70.214 68.868 -0.005 0.000 0.939 455 T HN 0.609 nan 8.240 nan 0.000 0.449 456 T N 3.654 118.204 114.554 -0.007 0.000 3.760 456 T HA -0.171 4.179 4.350 -0.001 0.000 0.366 456 T C 0.147 174.842 174.700 -0.009 0.000 0.761 456 T CA 0.548 62.644 62.100 -0.007 0.000 1.887 456 T CB -1.211 67.653 68.868 -0.006 0.000 1.811 456 T HN 0.621 nan 8.240 nan 0.000 0.749 457 N N 1.619 120.312 118.700 -0.010 0.000 2.841 457 N HA 0.117 4.857 4.740 -0.001 0.000 0.257 457 N C 1.412 176.913 175.510 -0.015 0.000 1.396 457 N CA -0.503 52.539 53.050 -0.013 0.000 0.823 457 N CB 1.293 39.772 38.487 -0.014 0.000 1.162 457 N HN 0.530 nan 8.380 nan 0.000 0.503 458 Q N 0.285 120.076 119.800 -0.015 0.000 1.984 458 Q HA 0.031 4.371 4.340 -0.001 0.000 0.196 458 Q C 0.251 176.239 176.000 -0.020 0.000 0.975 458 Q CA 0.921 56.715 55.803 -0.015 0.000 0.827 458 Q CB -0.198 28.532 28.738 -0.013 0.000 0.894 458 Q HN 0.320 nan 8.270 nan 0.000 0.438 459 S N -0.842 114.844 115.700 -0.023 0.000 2.550 459 S HA 0.761 5.230 4.470 -0.001 0.000 0.270 459 S C -1.032 173.546 174.600 -0.037 0.000 1.145 459 S CA -1.039 57.142 58.200 -0.031 0.000 0.852 459 S CB 3.071 66.253 63.200 -0.029 0.000 1.119 459 S HN 0.450 nan 8.310 nan 0.000 0.465 460 R N 1.069 121.536 120.500 -0.054 0.000 2.579 460 R HA 0.394 4.734 4.340 -0.001 0.000 0.260 460 R C -1.966 174.265 176.300 -0.115 0.000 1.103 460 R CA -0.751 55.309 56.100 -0.066 0.000 0.942 460 R CB 1.055 31.323 30.300 -0.055 0.000 1.251 460 R HN 0.806 nan 8.270 nan 0.000 0.450 461 L N 5.683 126.824 121.223 -0.137 0.000 2.325 461 L HA 0.393 4.732 4.340 -0.001 0.000 0.284 461 L C -0.468 176.141 176.870 -0.434 0.000 1.089 461 L CA -0.225 54.444 54.840 -0.284 0.000 0.836 461 L CB 0.591 42.528 42.059 -0.204 0.000 1.184 461 L HN 0.376 nan 8.230 nan 0.000 0.444 462 L N 4.125 125.012 121.223 -0.560 0.000 2.385 462 L HA 0.573 4.913 4.340 -0.001 0.000 0.273 462 L C -0.829 175.667 176.870 -0.624 0.000 0.990 462 L CA -0.421 54.145 54.840 -0.457 0.000 0.821 462 L CB 1.916 43.851 42.059 -0.207 0.000 1.279 462 L HN 0.336 nan 8.230 nan 0.000 0.412 463 F N 0.277 120.183 119.950 -0.073 0.000 2.522 463 F HA 0.582 5.109 4.527 -0.001 0.000 0.324 463 F C 0.381 176.124 175.800 -0.095 0.000 1.077 463 F CA -0.585 57.355 58.000 -0.101 0.000 0.944 463 F CB 2.196 41.164 39.000 -0.053 0.000 1.175 463 F HN 0.261 nan 8.300 nan 0.000 0.468 464 S N 0.667 116.273 115.700 -0.156 0.000 2.536 464 S HA 0.321 4.790 4.470 -0.001 0.000 0.298 464 S C -1.024 173.385 174.600 -0.319 0.000 1.083 464 S CA -0.867 57.194 58.200 -0.230 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 2.122 121.757 119.800 -0.276 0.000 2.288 465 Q HA 0.543 4.882 4.340 -0.001 0.000 0.258 465 Q C -0.225 175.715 176.000 -0.101 0.000 0.957 465 Q CA -0.711 54.719 55.803 -0.622 0.000 0.919 465 Q CB 0.774 29.080 28.738 -0.719 0.000 1.185 465 Q HN 0.782 nan 8.270 nan 0.000 0.408 466 A N 3.398 126.256 122.820 0.063 0.000 2.565 466 A HA 0.459 4.779 4.320 -0.001 0.000 0.237 466 A C 0.330 177.915 177.584 0.002 0.000 1.053 466 A CA 0.776 52.894 52.037 0.134 0.000 0.755 466 A CB 0.091 19.085 19.000 -0.010 0.000 0.980 466 A HN 0.888 nan 8.150 nan 0.000 0.506 467 G N 1.082 109.892 108.800 0.017 0.000 2.818 467 G HA2 0.597 4.557 3.960 -0.001 0.000 0.286 467 G HA3 0.597 4.557 3.960 -0.001 0.000 0.286 467 G C -2.405 172.484 174.900 -0.018 0.000 1.364 467 G CA -1.023 44.073 45.100 -0.007 0.000 0.938 467 G HN 0.302 nan 8.290 nan 0.000 0.490 468 P HA -0.053 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 -0.335 119.463 119.800 -0.003 0.000 2.096 469 Q HA -0.017 4.323 4.340 -0.001 0.000 0.197 469 Q C 1.081 177.082 176.000 0.002 0.000 0.964 469 Q CA 1.324 57.130 55.803 0.005 0.000 0.838 469 Q CB -0.469 28.279 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 0.217 4.687 4.470 -0.001 0.000 0.194 470 S C 0.838 175.386 174.600 -0.088 0.000 1.464 470 S CA -0.313 57.873 58.200 -0.023 0.000 1.021 470 S CB 0.147 63.366 63.200 0.032 0.000 1.424 470 S HN 0.221 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 4.419 4.480 -0.001 0.000 0.264 471 M C 1.819 178.064 176.300 -0.093 0.000 1.067 471 M CA 1.566 56.824 55.300 -0.071 0.000 1.131 471 M CB -0.062 32.512 32.600 -0.044 0.000 1.368 471 M HN 0.676 nan 8.290 nan 0.000 0.416 472 S N -0.733 114.911 115.700 -0.092 0.000 2.679 472 S HA 0.210 4.680 4.470 -0.001 0.000 0.233 472 S C 0.887 175.400 174.600 -0.146 0.000 0.951 472 S CA -0.297 57.844 58.200 -0.099 0.000 0.973 472 S CB -0.386 62.771 63.200 -0.071 0.000 0.778 472 S HN 0.566 nan 8.310 nan 0.000 0.477 473 L N -0.489 120.599 121.223 -0.226 0.000 2.993 473 L HA 0.310 4.650 4.340 -0.001 0.000 0.264 473 L C 0.655 177.223 176.870 -0.502 0.000 1.154 473 L CA -0.234 54.371 54.840 -0.393 0.000 0.972 473 L CB 0.172 41.901 42.059 -0.552 0.000 1.373 473 L HN 0.254 nan 8.230 nan 0.000 0.564 474 Q N 1.195 120.794 119.800 -0.335 0.000 2.432 474 Q HA 0.336 4.676 4.340 -0.001 0.000 0.264 474 Q C 0.506 176.391 176.000 -0.193 0.000 1.035 474 Q CA -0.100 55.546 55.803 -0.262 0.000 0.908 474 Q CB 0.973 29.609 28.738 -0.169 0.000 1.280 474 Q HN 0.273 nan 8.270 nan 0.000 0.455 475 A N 1.925 124.654 122.820 -0.151 0.000 2.520 475 A HA 0.195 4.515 4.320 -0.001 0.000 0.235 475 A C -0.040 177.474 177.584 -0.116 0.000 1.065 475 A CA 0.259 52.228 52.037 -0.114 0.000 0.764 475 A CB 0.305 19.247 19.000 -0.098 0.000 1.002 475 A HN 0.578 nan 8.150 nan 0.000 0.502 476 R N 0.334 120.767 120.500 -0.111 0.000 2.807 476 R HA 0.449 4.789 4.340 -0.001 0.000 0.276 476 R C 0.228 176.410 176.300 -0.197 0.000 0.979 476 R CA -0.617 55.415 56.100 -0.113 0.000 0.928 476 R CB 1.149 31.408 30.300 -0.069 0.000 1.191 476 R HN 0.735 nan 8.270 nan 0.000 0.471 477 N N 0.232 118.745 118.700 -0.312 0.000 2.250 477 N HA 0.163 4.903 4.740 -0.001 0.000 0.190 477 N C -1.022 173.878 175.510 -1.017 0.000 1.116 477 N CA 0.339 52.935 53.050 -0.757 0.000 0.881 477 N CB 0.456 38.333 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 -0.001 0.000 3.083 478 W HA 0.546 5.205 4.660 -0.001 0.000 0.333 478 W C -0.696 175.835 176.519 0.019 0.000 1.217 478 W CA -0.767 56.586 57.345 0.013 0.000 1.170 478 W CB 0.811 30.270 29.460 -0.001 0.000 1.437 478 W HN -0.371 nan 8.180 nan 0.000 0.557 479 L N 2.018 123.424 121.223 0.304 0.000 2.303 479 L HA 0.652 4.992 4.340 -0.001 0.000 0.266 479 L C -2.142 174.853 176.870 0.208 0.000 1.011 479 L CA -2.725 52.238 54.840 0.204 0.000 0.818 479 L CB 0.534 42.713 42.059 0.200 0.000 1.326 479 L HN 0.069 nan 8.230 nan 0.000 0.435 480 P HA 0.244 nan 4.420 nan 0.000 0.274 480 P C -0.117 177.342 177.300 0.264 0.000 1.256 480 P CA -0.373 62.828 63.100 0.168 0.000 0.795 480 P CB 0.442 32.192 31.700 0.083 0.000 1.038 481 G N 0.675 109.636 108.800 0.269 0.000 2.667 481 G HA2 0.307 4.267 3.960 -0.001 0.000 0.250 481 G HA3 0.307 4.267 3.960 -0.001 0.000 0.250 481 G C -2.281 172.684 174.900 0.109 0.000 1.212 481 G CA -0.933 44.315 45.100 0.246 0.000 0.874 481 G HN 0.363 nan 8.290 nan 0.000 0.561 482 P HA 0.209 nan 4.420 nan 0.000 0.273 482 P C 0.106 177.332 177.300 -0.123 0.000 1.258 482 P CA -0.030 62.942 63.100 -0.213 0.000 0.802 482 P CB 0.600 32.063 31.700 -0.394 0.000 1.040 483 C N -1.860 117.348 119.300 -0.154 0.000 3.285 483 C HA 0.706 5.166 4.460 -0.001 0.000 0.325 483 C C -1.718 173.297 174.990 0.041 0.000 1.304 483 C CA -0.722 58.277 59.018 -0.033 0.000 1.319 483 C CB 0.697 28.459 27.740 0.037 0.000 1.640 483 C HN 0.603 nan 8.230 nan 0.000 0.477 484 Y N 1.716 121.974 120.300 -0.070 0.000 2.379 484 Y HA 0.491 5.041 4.550 -0.001 0.000 0.342 484 Y C 0.340 176.226 175.900 -0.023 0.000 1.126 484 Y CA -0.328 57.740 58.100 -0.054 0.000 1.310 484 Y CB 0.511 38.946 38.460 -0.042 0.000 1.115 484 Y HN 1.055 nan 8.280 nan 0.000 0.505 485 R N 3.694 124.078 120.500 -0.195 0.000 2.500 485 R HA 0.017 4.356 4.340 -0.001 0.000 0.281 485 R C -0.475 175.747 176.300 -0.129 0.000 0.953 485 R CA 0.809 56.827 56.100 -0.137 0.000 1.108 485 R CB 0.494 30.701 30.300 -0.155 0.000 0.901 485 R HN 0.608 nan 8.270 nan 0.000 0.410 486 Q N 2.317 122.075 119.800 -0.070 0.000 2.297 486 Q HA 0.141 4.480 4.340 -0.001 0.000 0.268 486 Q C -0.828 175.110 176.000 -0.103 0.000 1.045 486 Q CA -0.939 54.811 55.803 -0.088 0.000 0.861 486 Q CB 1.833 30.516 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 -0.760 175.179 176.000 -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 3.127 123.568 120.500 -0.098 0.000 2.308 488 R HA 0.419 4.759 4.340 -0.001 0.000 0.305 488 R C -1.216 175.044 176.300 -0.066 0.000 1.053 488 R CA -0.384 55.654 56.100 -0.103 0.000 0.957 488 R CB 0.295 30.512 30.300 -0.139 0.000 1.022 488 R HN 0.531 nan 8.270 nan 0.000 0.461 489 L N 2.081 123.185 121.223 -0.199 0.000 2.354 489 L HA 0.428 4.768 4.340 -0.001 0.000 0.269 489 L C -0.237 176.599 176.870 -0.057 0.000 1.005 489 L CA -0.171 54.534 54.840 -0.225 0.000 0.819 489 L CB 2.040 43.693 42.059 -0.677 0.000 1.311 489 L HN 0.586 nan 8.230 nan 0.000 0.423 490 S N 0.236 115.999 115.700 0.105 0.000 2.549 490 S HA 0.435 4.904 4.470 -0.001 0.000 0.297 490 S C 0.771 175.454 174.600 0.137 0.000 1.115 490 S CA -0.578 57.638 58.200 0.027 0.000 1.059 490 S CB 1.039 64.210 63.200 -0.049 0.000 1.046 490 S HN 0.644 nan 8.310 nan 0.000 0.506 491 K N 1.325 121.780 120.400 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 0.090 0.000 0.956 491 K CB -0.224 32.274 32.500 -0.003 0.000 0.746 491 K HN 0.496 nan 8.250 nan 0.000 0.461 492 T N 1.870 116.405 114.554 -0.032 0.000 2.738 492 T HA 0.179 4.529 4.350 -0.001 0.000 0.293 492 T C 0.596 175.307 174.700 0.018 0.000 0.913 492 T CA -0.289 61.798 62.100 -0.022 0.000 1.103 492 T CB 1.235 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 0.046 4.366 4.320 -0.001 0.000 0.222 493 A C 1.612 179.222 177.584 0.043 0.000 1.317 493 A CA 0.100 52.161 52.037 0.041 0.000 0.985 493 A CB -0.672 18.346 19.000 0.030 0.000 0.858 493 A HN 0.948 nan 8.150 nan 0.000 0.496 494 N N -2.654 116.072 118.700 0.043 0.000 2.067 494 N HA -0.029 4.711 4.740 -0.001 0.000 0.227 494 N C -0.330 175.214 175.510 0.057 0.000 1.348 494 N CA 0.250 53.327 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 0.673 54.733 54.000 0.099 0.000 0.865 495 D CB 0.014 40.894 40.800 0.133 0.000 0.939 495 D HN 0.268 nan 8.370 nan 0.000 0.510 496 N N 1.112 119.885 118.700 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 39.009 38.487 0.214 0.000 1.188 496 N HN 0.027 nan 8.380 nan 0.000 0.491 497 N N 0.858 119.628 118.700 0.116 0.000 2.492 497 N HA -0.088 4.652 4.740 -0.001 0.000 0.262 497 N C -0.259 175.339 175.510 0.148 0.000 1.202 497 N CA 0.234 53.324 53.050 0.066 0.000 0.926 497 N CB 0.086 38.525 38.487 -0.080 0.000 1.078 497 N HN 0.450 nan 8.380 nan 0.000 0.454 498 N N 1.878 120.634 118.700 0.093 0.000 3.193 498 N HA -0.024 4.715 4.740 -0.001 0.000 0.312 498 N C -1.039 174.537 175.510 0.110 0.000 1.261 498 N CA -0.164 52.943 53.050 0.094 0.000 1.208 498 N CB -0.123 38.399 38.487 0.058 0.000 1.471 498 N HN 0.493 nan 8.380 nan 0.000 0.548 499 S N 0.315 116.128 115.700 0.188 0.000 2.537 499 S HA 0.195 4.665 4.470 -0.001 0.000 0.270 499 S C -0.953 173.835 174.600 0.313 0.000 1.142 499 S CA -1.123 57.202 58.200 0.209 0.000 0.870 499 S CB 1.427 64.731 63.200 0.174 0.000 1.112 499 S HN 0.245 nan 8.310 nan 0.000 0.466 500 N N 1.340 120.152 118.700 0.188 0.000 2.439 500 N HA 0.430 5.170 4.740 -0.001 0.000 0.243 500 N C -0.397 175.210 175.510 0.161 0.000 1.088 500 N CA -0.844 52.260 53.050 0.091 0.000 0.940 500 N CB -0.317 38.197 38.487 0.044 0.000 1.180 500 N HN 0.677 nan 8.380 nan 0.000 0.505 501 F N 1.790 121.779 119.950 0.065 0.000 2.805 501 F HA 0.550 5.076 4.527 -0.001 0.000 0.317 501 F C -2.021 173.838 175.800 0.099 0.000 1.146 501 F CA -1.599 56.443 58.000 0.070 0.000 1.265 501 F CB 0.671 39.690 39.000 0.032 0.000 0.992 501 F HN 0.242 nan 8.300 nan 0.000 0.511 502 P HA -0.036 nan 4.420 nan 0.000 0.249 502 P C 0.618 178.064 177.300 0.244 0.000 1.241 502 P CA 1.006 64.110 63.100 0.007 0.000 0.781 502 P CB -0.092 31.586 31.700 -0.035 0.000 1.088 503 W N -0.519 120.806 121.300 0.042 0.000 3.900 503 W HA 0.028 4.687 4.660 -0.001 0.000 0.186 503 W C 0.503 177.062 176.519 0.066 0.000 1.082 503 W CA 0.664 58.034 57.345 0.042 0.000 1.537 503 W CB 0.018 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 -0.685 113.932 114.554 0.106 0.000 3.100 504 T HA 0.347 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 0.953 63.054 62.100 0.003 0.000 1.058 504 T CB 0.366 69.306 68.868 0.120 0.000 0.953 504 T HN 0.084 nan 8.240 nan 0.000 0.515 505 A N 0.206 123.074 122.820 0.080 0.000 2.600 505 A HA 0.831 5.151 4.320 -0.001 0.000 0.252 505 A C 0.993 178.625 177.584 0.080 0.000 1.200 505 A CA -0.024 52.061 52.037 0.081 0.000 0.981 505 A CB 0.148 19.237 19.000 0.149 0.000 1.207 505 A HN 0.613 nan 8.150 nan 0.000 0.577 506 A N 0.296 123.160 122.820 0.074 0.000 2.302 506 A HA 0.630 4.949 4.320 -0.001 0.000 0.285 506 A C 0.364 177.980 177.584 0.053 0.000 1.105 506 A CA -0.182 51.929 52.037 0.124 0.000 0.816 506 A CB 0.251 19.416 19.000 0.275 0.000 1.067 506 A HN 0.298 nan 8.150 nan 0.000 0.489 507 S N 1.391 117.169 115.700 0.130 0.000 2.510 507 S HA 0.380 4.850 4.470 -0.001 0.000 0.279 507 S C -0.008 174.717 174.600 0.208 0.000 1.284 507 S CA -0.161 58.132 58.200 0.155 0.000 1.059 507 S CB -0.000 63.321 63.200 0.202 0.000 0.901 507 S HN 0.636 nan 8.310 nan 0.000 0.491 508 K N 1.666 122.147 120.400 0.135 0.000 2.509 508 K HA 0.599 4.918 4.320 -0.001 0.000 0.266 508 K C -1.351 175.325 176.600 0.128 0.000 0.987 508 K CA -1.067 55.234 56.287 0.024 0.000 0.868 508 K CB 1.344 33.698 32.500 -0.244 0.000 1.421 508 K HN 0.563 nan 8.250 nan 0.000 0.444 509 Y N -1.516 118.815 120.300 0.053 0.000 2.630 509 Y HA 0.620 5.170 4.550 -0.001 0.000 0.337 509 Y C -0.691 175.284 175.900 0.125 0.000 1.051 509 Y CA -1.021 57.117 58.100 0.065 0.000 1.121 509 Y CB 1.534 39.982 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 0.628 5.184 4.556 -0.001 0.000 0.362 510 H C -2.393 173.064 175.328 0.216 0.000 1.114 510 H CA -1.184 54.947 56.048 0.137 0.000 1.208 510 H CB 1.619 31.417 29.762 0.059 0.000 1.727 510 H HN 0.886 nan 8.280 nan 0.000 0.534 511 L N 3.494 124.761 121.223 0.072 0.000 2.385 511 L HA 0.236 4.576 4.340 -0.001 0.000 0.273 511 L C 0.544 177.465 176.870 0.085 0.000 0.990 511 L CA -0.849 53.990 54.840 -0.001 0.000 0.821 511 L CB 1.547 43.673 42.059 0.112 0.000 1.279 511 L HN 0.839 nan 8.230 nan 0.000 0.412 512 N N 2.374 121.108 118.700 0.056 0.000 2.741 512 N HA -0.185 4.555 4.740 -0.001 0.000 0.250 512 N C 0.697 176.306 175.510 0.166 0.000 1.115 512 N CA 1.332 54.442 53.050 0.101 0.000 0.724 512 N CB -0.613 37.928 38.487 0.091 0.000 1.090 512 N HN 1.123 nan 8.380 nan 0.000 0.558 513 G N -0.356 108.630 108.800 0.310 0.000 2.176 513 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.252 513 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.252 513 G C -0.146 174.901 174.900 0.244 0.000 1.024 513 G CA 0.524 45.816 45.100 0.319 0.000 0.755 513 G HN 0.721 nan 8.290 nan 0.000 0.507 514 R N 0.496 121.166 120.500 0.285 0.000 2.451 514 R HA 0.370 4.709 4.340 -0.001 0.000 0.307 514 R C -1.136 175.278 176.300 0.190 0.000 0.965 514 R CA -0.841 55.380 56.100 0.201 0.000 0.865 514 R CB 0.763 31.164 30.300 0.169 0.000 1.174 514 R HN 0.089 nan 8.270 nan 0.000 0.455 515 D N 1.751 122.251 120.400 0.168 0.000 2.425 515 D HA 0.134 4.774 4.640 -0.001 0.000 0.247 515 D C -0.709 175.619 176.300 0.048 0.000 1.147 515 D CA 0.807 54.869 54.000 0.104 0.000 0.879 515 D CB 1.493 42.378 40.800 0.141 0.000 1.179 515 D HN 0.374 nan 8.370 nan 0.000 0.456 516 S N 1.519 117.055 115.700 -0.273 0.000 2.571 516 S HA 0.285 4.754 4.470 -0.001 0.000 0.284 516 S C -0.616 173.704 174.600 -0.468 0.000 1.128 516 S CA -0.759 57.203 58.200 -0.397 0.000 0.970 516 S CB 1.799 64.573 63.200 -0.711 0.000 1.039 516 S HN 0.292 nan 8.310 nan 0.000 0.485 517 L N 3.921 125.063 121.223 -0.134 0.000 2.418 517 L HA 0.337 4.676 4.340 -0.001 0.000 0.274 517 L C -0.358 176.473 176.870 -0.066 0.000 1.135 517 L CA 0.112 54.892 54.840 -0.100 0.000 0.870 517 L CB 0.531 42.573 42.059 -0.030 0.000 1.154 517 L HN 0.522 nan 8.230 nan 0.000 0.462 518 V N 6.896 126.842 119.914 0.055 0.000 2.242 518 V HA 0.024 4.144 4.120 -0.001 0.000 0.242 518 V C 1.239 177.421 176.094 0.148 0.000 1.240 518 V CA 0.026 62.443 62.300 0.195 0.000 1.211 518 V CB -0.691 31.288 31.823 0.260 0.000 1.338 518 V HN 0.918 nan 8.190 nan 0.000 0.499 519 N N 6.357 125.077 118.700 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 38.035 38.487 -0.047 0.000 1.048 519 N HN 0.366 nan 8.380 nan 0.000 0.431 520 P HA 0.277 nan 4.420 nan 0.000 0.251 520 P C -0.242 177.137 177.300 0.131 0.000 1.718 520 P CA -0.378 62.810 63.100 0.147 0.000 1.119 520 P CB 0.810 32.575 31.700 0.108 0.000 1.762 521 G N 4.635 113.526 108.800 0.152 0.000 2.479 521 G HA2 0.235 4.194 3.960 -0.001 0.000 0.275 521 G HA3 0.235 4.194 3.960 -0.001 0.000 0.275 521 G C -2.251 172.689 174.900 0.066 0.000 1.421 521 G CA -1.199 43.961 45.100 0.100 0.000 1.059 521 G HN 0.216 nan 8.290 nan 0.000 0.535 522 P HA 0.204 nan 4.420 nan 0.000 0.269 522 P C -0.182 177.143 177.300 0.042 0.000 1.205 522 P CA 0.274 63.368 63.100 -0.010 0.000 0.780 522 P CB 0.313 31.972 31.700 -0.067 0.000 0.858 523 A N 3.546 126.394 122.820 0.046 0.000 2.473 523 A HA 0.358 4.677 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 0.364 52.459 52.037 0.097 0.000 0.827 523 A CB -0.973 18.113 19.000 0.143 0.000 1.098 523 A HN 0.421 nan 8.150 nan 0.000 0.515 524 M N 2.064 121.721 119.600 0.096 0.000 2.644 524 M HA 0.587 5.067 4.480 -0.001 0.000 0.304 524 M C 0.234 176.588 176.300 0.090 0.000 1.215 524 M CA -0.546 54.807 55.300 0.089 0.000 0.871 524 M CB 2.242 34.892 32.600 0.083 0.000 1.740 524 M HN 0.636 nan 8.290 nan 0.000 0.464 525 A N 0.894 123.756 122.820 0.070 0.000 2.425 525 A HA 0.355 4.674 4.320 -0.001 0.000 0.249 525 A C 0.784 178.413 177.584 0.075 0.000 1.084 525 A CA -0.258 51.810 52.037 0.051 0.000 0.781 525 A CB 0.260 19.263 19.000 0.004 0.000 1.019 525 A HN 0.924 nan 8.150 nan 0.000 0.490 526 S N 0.651 116.417 115.700 0.109 0.000 2.371 526 S HA -0.008 4.461 4.470 -0.001 0.000 0.224 526 S C 0.749 175.513 174.600 0.273 0.000 1.029 526 S CA 1.509 59.840 58.200 0.219 0.000 0.978 526 S CB -0.281 63.120 63.200 0.334 0.000 0.833 526 S HN 0.956 nan 8.310 nan 0.000 0.466 527 H N 0.282 119.421 119.070 0.114 0.000 3.016 527 H HA 0.508 5.063 4.556 -0.001 0.000 0.362 527 H C -1.034 174.345 175.328 0.085 0.000 1.233 527 H CA -1.211 54.906 56.048 0.116 0.000 1.124 527 H CB 0.949 30.808 29.762 0.162 0.000 1.850 527 H HN 0.130 nan 8.280 nan 0.000 0.549 528 K N 0.989 121.451 120.400 0.103 0.000 2.117 528 K HA 0.200 4.520 4.320 -0.001 0.000 0.240 528 K C -0.622 176.033 176.600 0.091 0.000 1.031 528 K CA -0.693 55.613 56.287 0.032 0.000 0.909 528 K CB 0.611 33.132 32.500 0.035 0.000 1.097 528 K HN 0.342 nan 8.250 nan 0.000 0.492 529 D N 1.082 121.514 120.400 0.054 0.000 2.443 529 D HA 0.008 4.648 4.640 -0.001 0.000 0.239 529 D C -0.410 175.962 176.300 0.120 0.000 1.136 529 D CA 0.905 54.953 54.000 0.081 0.000 0.879 529 D CB 0.226 41.052 40.800 0.043 0.000 1.195 529 D HN 0.602 nan 8.370 nan 0.000 0.443 530 D N 1.365 121.846 120.400 0.136 0.000 2.835 530 D HA -0.155 4.484 4.640 -0.001 0.000 0.230 530 D C 0.585 176.970 176.300 0.142 0.000 1.130 530 D CA 0.859 54.929 54.000 0.117 0.000 0.738 530 D CB -0.651 40.198 40.800 0.082 0.000 1.090 530 D HN 0.599 nan 8.370 nan 0.000 0.433 531 E N -0.547 119.772 120.200 0.198 0.000 3.555 531 E HA 0.086 4.435 4.350 -0.001 0.000 0.187 531 E C 0.440 177.063 176.600 0.039 0.000 1.267 531 E CA -0.144 56.371 56.400 0.192 0.000 1.353 531 E CB 0.344 30.244 29.700 0.334 0.000 2.031 531 E HN 0.049 nan 8.360 nan 0.000 0.522 532 E N 0.890 121.002 120.200 -0.146 0.000 2.586 532 E HA -0.257 4.093 4.350 -0.001 0.000 0.259 532 E C 0.262 176.674 176.600 -0.312 0.000 1.107 532 E CA 1.452 57.528 56.400 -0.540 0.000 0.754 532 E CB -1.135 28.457 29.700 -0.179 0.000 1.335 532 E HN 0.391 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 -0.239 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 3.564 123.540 119.950 0.043 0.000 2.390 534 F HA 0.361 4.887 4.527 -0.001 0.000 0.361 534 F C -0.049 175.833 175.800 0.138 0.000 1.124 534 F CA -1.312 56.732 58.000 0.072 0.000 1.149 534 F CB 0.590 39.609 39.000 0.031 0.000 1.160 534 F HN 0.014 nan 8.300 nan 0.000 0.501 535 F N 3.159 123.204 119.950 0.158 0.000 2.470 535 F HA 0.826 5.353 4.527 -0.001 0.000 0.329 535 F C -3.007 172.862 175.800 0.115 0.000 1.072 535 F CA -3.622 54.452 58.000 0.123 0.000 0.989 535 F CB 0.498 39.536 39.000 0.064 0.000 1.193 535 F HN 0.110 nan 8.300 nan 0.000 0.481 536 P HA 0.108 nan 4.420 nan 0.000 0.271 536 P C -0.454 176.721 177.300 -0.209 0.000 1.218 536 P CA -0.427 62.613 63.100 -0.100 0.000 0.780 536 P CB 0.738 32.445 31.700 0.011 0.000 0.901 537 M N 4.986 124.406 119.600 -0.300 0.000 2.734 537 M HA -0.049 4.430 4.480 -0.001 0.000 0.356 537 M C 0.923 176.890 176.300 -0.555 0.000 1.790 537 M CA 0.719 55.829 55.300 -0.317 0.000 1.231 537 M CB -1.301 31.129 32.600 -0.284 0.000 2.102 537 M HN 0.559 nan 8.290 nan 0.000 0.463 538 H N 1.166 120.341 119.070 0.174 0.000 2.690 538 H HA -0.188 4.368 4.556 -0.001 0.000 0.309 538 H C 0.427 175.837 175.328 0.137 0.000 1.138 538 H CA 0.471 56.613 56.048 0.155 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 0.916 109.781 108.800 0.108 0.000 3.262 539 G HA2 0.107 4.066 3.960 -0.001 0.000 0.228 539 G HA3 0.107 4.066 3.960 -0.001 0.000 0.228 539 G C 0.357 175.353 174.900 0.161 0.000 1.197 539 G CA 0.325 45.497 45.100 0.121 0.000 0.819 539 G HN 0.916 nan 8.290 nan 0.000 0.531 540 N N -1.197 117.601 118.700 0.163 0.000 3.322 540 N HA 0.112 4.852 4.740 -0.001 0.000 0.233 540 N C -1.728 173.798 175.510 0.027 0.000 1.399 540 N CA -0.843 52.276 53.050 0.115 0.000 0.894 540 N CB 0.828 39.388 38.487 0.123 0.000 1.440 540 N HN -0.188 nan 8.380 nan 0.000 0.503 541 L N 0.798 121.984 121.223 -0.061 0.000 2.367 541 L HA 0.442 4.782 4.340 -0.001 0.000 0.275 541 L C 0.061 176.664 176.870 -0.444 0.000 1.129 541 L CA 0.133 54.813 54.840 -0.267 0.000 0.839 541 L CB 0.143 41.999 42.059 -0.339 0.000 1.133 541 L HN 0.473 nan 8.230 nan 0.000 0.453 542 I N 3.738 124.039 120.570 -0.447 0.000 2.389 542 I HA 0.343 4.513 4.170 -0.001 0.000 0.288 542 I C -0.663 175.187 176.117 -0.444 0.000 0.999 542 I CA -0.408 60.671 61.300 -0.368 0.000 1.129 542 I CB 1.016 38.904 38.000 -0.186 0.000 1.288 542 I HN 0.308 nan 8.210 nan 0.000 0.444 543 F N 3.082 122.988 119.950 -0.074 0.000 2.422 543 F HA 0.580 5.106 4.527 -0.001 0.000 0.333 543 F C 1.070 176.838 175.800 -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 40.626 39.000 -0.049 0.000 1.156 543 F HN 0.420 nan 8.300 nan 0.000 0.483 544 G N 2.740 111.630 108.800 0.149 0.000 2.353 544 G HA2 0.337 4.297 3.960 -0.001 0.000 0.284 544 G HA3 0.337 4.297 3.960 -0.001 0.000 0.284 544 G C -0.565 174.361 174.900 0.043 0.000 1.172 544 G CA -0.743 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 56.090 56.287 -0.035 0.000 0.908 545 K CB 0.651 33.118 32.500 -0.054 0.000 0.981 545 K HN 0.517 nan 8.250 nan 0.000 0.500 546 E N 0.343 120.506 120.200 -0.061 0.000 2.415 546 E HA 0.082 4.432 4.350 -0.001 0.000 0.263 546 E C -0.188 176.389 176.600 -0.038 0.000 0.995 546 E CA 1.085 57.456 56.400 -0.048 0.000 0.915 546 E CB 0.309 29.964 29.700 -0.075 0.000 0.951 546 E HN 0.636 nan 8.360 nan 0.000 0.449 547 G N 3.568 112.357 108.800 -0.019 0.000 2.540 547 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.260 547 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.260 547 G C -0.452 174.437 174.900 -0.019 0.000 0.993 547 G CA 0.254 45.343 45.100 -0.017 0.000 1.327 547 G HN 0.612 nan 8.290 nan 0.000 0.485 548 T N 1.207 115.754 114.554 -0.012 0.000 3.705 548 T HA 0.433 4.782 4.350 -0.001 0.000 0.342 548 T C 0.376 175.070 174.700 -0.009 0.000 1.043 548 T CA -0.105 61.987 62.100 -0.014 0.000 1.071 548 T CB 1.196 70.054 68.868 -0.016 0.000 1.124 548 T HN 0.637 nan 8.240 nan 0.000 0.467 549 T N 2.383 116.930 114.554 -0.011 0.000 2.906 549 T HA 0.212 4.561 4.350 -0.001 0.000 0.329 549 T C 1.633 176.326 174.700 -0.011 0.000 1.091 549 T CA 0.326 62.419 62.100 -0.010 0.000 1.127 549 T CB 0.458 69.319 68.868 -0.013 0.000 1.035 549 T HN 0.758 nan 8.240 nan 0.000 0.547 550 A N 1.959 124.773 122.820 -0.011 0.000 2.206 550 A HA 0.231 4.551 4.320 -0.001 0.000 0.211 550 A C 1.396 178.967 177.584 -0.022 0.000 1.158 550 A CA 0.237 52.266 52.037 -0.014 0.000 0.761 550 A CB 0.186 19.179 19.000 -0.012 0.000 0.801 550 A HN 0.563 nan 8.150 nan 0.000 0.473 551 S N 0.358 116.045 115.700 -0.022 0.000 2.498 551 S HA 0.410 4.879 4.470 -0.001 0.000 0.324 551 S C -0.443 174.142 174.600 -0.025 0.000 1.071 551 S CA -0.672 57.513 58.200 -0.026 0.000 1.113 551 S CB -0.436 62.748 63.200 -0.026 0.000 0.976 551 S HN 0.557 nan 8.310 nan 0.000 0.462 552 N N 2.245 120.929 118.700 -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 0.535 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 0.794 123.601 122.820 -0.022 0.000 2.252 553 A HA 0.578 4.898 4.320 -0.001 0.000 0.305 553 A C 0.466 178.036 177.584 -0.024 0.000 1.097 553 A CA -0.392 51.632 52.037 -0.022 0.000 0.849 553 A CB 0.769 19.755 19.000 -0.023 0.000 1.142 553 A HN 0.464 nan 8.150 nan 0.000 0.499 554 E N -0.714 119.471 120.200 -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 -0.267 56.117 56.400 -0.026 0.000 0.907 554 E CB 0.698 30.383 29.700 -0.025 0.000 1.014 554 E HN 0.513 nan 8.360 nan 0.000 0.427 555 L N 2.074 123.277 121.223 -0.034 0.000 2.191 555 L HA -0.066 4.273 4.340 -0.001 0.000 0.212 555 L C 0.688 177.522 176.870 -0.060 0.000 1.103 555 L CA 1.806 56.616 54.840 -0.050 0.000 0.769 555 L CB -0.096 41.939 42.059 -0.040 0.000 0.908 555 L HN 0.521 nan 8.230 nan 0.000 0.438 556 D N -0.701 119.671 120.400 -0.048 0.000 2.328 556 D HA -0.003 4.636 4.640 -0.001 0.000 0.226 556 D C 0.816 177.087 176.300 -0.048 0.000 1.066 556 D CA 0.275 54.246 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 0.041 118.713 118.700 -0.047 0.000 2.184 557 N HA 0.037 4.776 4.740 -0.001 0.000 0.206 557 N C -0.016 175.470 175.510 -0.041 0.000 1.151 557 N CA 0.057 53.081 53.050 -0.042 0.000 0.878 557 N CB 1.668 40.134 38.487 -0.035 0.000 1.014 557 N HN 0.072 nan 8.380 nan 0.000 0.512 558 V N -2.179 117.704 119.914 -0.051 0.000 3.074 558 V HA 0.660 4.780 4.120 -0.001 0.000 0.314 558 V C -0.411 175.649 176.094 -0.057 0.000 1.117 558 V CA -0.985 61.286 62.300 -0.049 0.000 1.014 558 V CB 2.512 34.295 31.823 -0.066 0.000 1.057 558 V HN -0.181 nan 8.190 nan 0.000 0.438 559 M N 3.283 122.866 119.600 -0.028 0.000 2.043 559 M HA 0.583 5.063 4.480 -0.001 0.000 0.322 559 M C -0.998 175.272 176.300 -0.050 0.000 0.962 559 M CA -0.146 55.144 55.300 -0.017 0.000 0.927 559 M CB 1.531 34.162 32.600 0.051 0.000 1.466 559 M HN 0.561 nan 8.290 nan 0.000 0.412 560 I N 2.605 123.102 120.570 -0.122 0.000 2.365 560 I HA 0.324 4.494 4.170 -0.001 0.000 0.291 560 I C 0.632 176.691 176.117 -0.097 0.000 1.004 560 I CA -0.661 60.535 61.300 -0.174 0.000 1.311 560 I CB 1.452 39.246 38.000 -0.345 0.000 1.401 560 I HN 0.597 nan 8.210 nan 0.000 0.491 561 T N 0.520 115.018 114.554 -0.094 0.000 2.806 561 T HA 0.279 4.628 4.350 -0.001 0.000 0.290 561 T C -0.488 174.254 174.700 0.071 0.000 0.966 561 T CA -0.839 61.223 62.100 -0.064 0.000 1.060 561 T CB 1.609 70.312 68.868 -0.276 0.000 0.927 561 T HN 0.409 nan 8.240 nan 0.000 0.485 562 D N 1.941 122.430 120.400 0.149 0.000 2.329 562 D HA 0.183 4.823 4.640 -0.001 0.000 0.232 562 D C -0.122 176.326 176.300 0.246 0.000 1.088 562 D CA -0.509 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 3.333 123.669 120.200 0.226 0.000 2.360 563 E HA 0.059 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 0.240 30.047 29.700 0.178 0.000 1.408 563 E HN 0.656 nan 8.360 nan 0.000 0.464 564 E N -0.250 119.995 120.200 0.075 0.000 2.569 564 E HA 0.128 4.477 4.350 -0.001 0.000 0.205 564 E C 0.194 176.779 176.600 -0.025 0.000 1.006 564 E CA -0.003 56.375 56.400 -0.036 0.000 0.985 564 E CB 0.303 29.961 29.700 -0.070 0.000 1.060 564 E HN -0.036 nan 8.360 nan 0.000 0.460 565 E N 0.740 120.937 120.200 -0.004 0.000 2.431 565 E HA 0.135 4.485 4.350 -0.001 0.000 0.200 565 E C 1.482 178.072 176.600 -0.016 0.000 0.995 565 E CA 0.238 56.621 56.400 -0.029 0.000 0.915 565 E CB 0.310 29.973 29.700 -0.060 0.000 0.930 565 E HN 0.555 nan 8.360 nan 0.000 0.496 566 I N -1.978 118.595 120.570 0.006 0.000 3.858 566 I HA 0.290 4.460 4.170 -0.001 0.000 0.325 566 I C 1.030 177.170 176.117 0.039 0.000 1.403 566 I CA -0.183 61.138 61.300 0.036 0.000 1.169 566 I CB 0.183 38.213 38.000 0.050 0.000 1.077 566 I HN -0.134 nan 8.210 nan 0.000 0.403 567 R N 1.413 121.920 120.500 0.012 0.000 2.152 567 R HA -0.089 4.251 4.340 -0.001 0.000 0.232 567 R C 2.185 178.490 176.300 0.009 0.000 1.117 567 R CA 1.989 58.087 56.100 -0.004 0.000 0.981 567 R CB -0.370 29.911 30.300 -0.033 0.000 0.870 567 R HN 0.649 nan 8.270 nan 0.000 0.451 568 T N -3.216 111.352 114.554 0.024 0.000 3.067 568 T HA -0.009 4.340 4.350 -0.001 0.000 0.257 568 T C 1.709 176.400 174.700 -0.016 0.000 1.105 568 T CA 1.136 63.240 62.100 0.006 0.000 1.104 568 T CB 0.217 69.095 68.868 0.017 0.000 0.925 568 T HN 0.304 nan 8.240 nan 0.000 0.498 569 T N -1.897 112.665 114.554 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 0.019 0.000 0.970 569 T CB -0.271 68.599 68.868 0.003 0.000 1.091 569 T HN 0.383 nan 8.240 nan 0.000 0.495 570 N N 2.201 120.953 118.700 0.085 0.000 2.319 570 N HA 0.573 5.313 4.740 -0.001 0.000 0.305 570 N C -3.132 172.422 175.510 0.074 0.000 1.103 570 N CA -2.017 51.096 53.050 0.105 0.000 0.815 570 N CB 2.017 40.571 38.487 0.112 0.000 1.288 570 N HN 0.058 nan 8.380 nan 0.000 0.493 571 P HA 0.054 nan 4.420 nan 0.000 0.272 571 P C -0.673 176.665 177.300 0.063 0.000 1.223 571 P CA -0.377 62.769 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 0.114 4.234 4.120 -0.001 0.000 0.291 572 V C 1.719 177.838 176.094 0.042 0.000 1.039 572 V CA 0.533 62.853 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 4.254 127.104 122.820 0.051 0.000 1.908 573 A HA -0.162 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 2.398 54.462 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 1.016 nan 8.150 nan 0.000 0.445 574 T N -2.695 111.857 114.554 -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 0.392 62.468 62.100 -0.041 0.000 1.139 574 T CB -0.205 68.631 68.868 -0.053 0.000 0.890 574 T HN 0.392 nan 8.240 nan 0.000 0.471 575 E N 2.375 122.556 120.200 -0.032 0.000 2.397 575 E HA 0.173 4.523 4.350 -0.001 0.000 0.254 575 E C 0.604 177.194 176.600 -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 -0.348 119.443 119.800 -0.016 0.000 2.492 576 Q HA 0.016 4.355 4.340 -0.001 0.000 0.184 576 Q C 0.680 176.725 176.000 0.075 0.000 1.126 576 Q CA -0.036 55.776 55.803 0.015 0.000 1.196 576 Q CB 0.116 28.854 28.738 -0.000 0.000 1.240 576 Q HN 0.610 nan 8.270 nan 0.000 0.651 577 Y N -1.539 118.738 120.300 -0.038 0.000 2.609 577 Y HA 0.429 4.979 4.550 -0.001 0.000 0.281 577 Y C 0.536 176.424 175.900 -0.020 0.000 1.132 577 Y CA 1.081 59.166 58.100 -0.026 0.000 1.264 577 Y CB 1.220 39.664 38.460 -0.027 0.000 1.325 577 Y HN 0.865 nan 8.280 nan 0.000 0.514 578 G N -0.982 107.829 108.800 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 -0.379 44.686 45.100 -0.057 0.000 0.914 578 G HN -0.065 nan 8.290 nan 0.000 0.482 579 T N 0.088 114.644 114.554 0.004 0.000 2.829 579 T HA 0.678 5.028 4.350 -0.001 0.000 0.280 579 T C -0.662 174.055 174.700 0.029 0.000 0.999 579 T CA -0.320 61.787 62.100 0.012 0.000 0.983 579 T CB 1.717 70.582 68.868 -0.005 0.000 0.968 579 T HN 0.831 nan 8.240 nan 0.000 0.446 580 V N 1.674 121.604 119.914 0.028 0.000 2.789 580 V HA 0.805 4.924 4.120 -0.001 0.000 0.311 580 V C 0.109 176.213 176.094 0.017 0.000 1.073 580 V CA -1.305 61.012 62.300 0.029 0.000 0.921 580 V CB 1.827 33.671 31.823 0.035 0.000 1.009 580 V HN 1.089 nan 8.190 nan 0.000 0.426 581 A N 3.050 125.880 122.820 0.017 0.000 2.322 581 A HA 0.705 5.025 4.320 -0.001 0.000 0.269 581 A C 0.411 178.001 177.584 0.010 0.000 1.094 581 A CA -0.305 51.739 52.037 0.012 0.000 0.807 581 A CB 0.175 19.183 19.000 0.014 0.000 1.047 581 A HN 1.094 nan 8.150 nan 0.000 0.487 582 N N 1.193 119.897 118.700 0.006 0.000 2.604 582 N HA 0.125 4.865 4.740 -0.001 0.000 0.284 582 N C -1.236 174.275 175.510 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 -0.249 118.454 118.700 0.004 0.000 3.322 583 N HA 0.147 4.886 4.740 -0.001 0.000 0.233 583 N C -1.740 173.773 175.510 0.005 0.000 1.399 583 N CA -0.580 52.472 53.050 0.004 0.000 0.894 583 N CB 0.602 39.090 38.487 0.002 0.000 1.440 583 N HN 0.048 nan 8.380 nan 0.000 0.503 584 L N 1.556 122.782 121.223 0.005 0.000 2.353 584 L HA 0.247 4.587 4.340 -0.001 0.000 0.269 584 L C 0.401 177.274 176.870 0.005 0.000 1.085 584 L CA -0.846 53.998 54.840 0.006 0.000 0.938 584 L CB 0.231 42.293 42.059 0.006 0.000 1.312 584 L HN 0.622 nan 8.230 nan 0.000 0.429 585 Q N 2.565 122.368 119.800 0.005 0.000 2.386 585 Q HA 0.417 4.757 4.340 -0.001 0.000 0.282 585 Q C -0.001 176.000 176.000 0.003 0.000 1.050 585 Q CA -0.043 55.761 55.803 0.003 0.000 0.918 585 Q CB 1.178 29.918 28.738 0.003 0.000 1.266 585 Q HN 0.586 nan 8.270 nan 0.000 0.423 586 S N 0.134 115.835 115.700 0.000 0.000 2.694 586 S HA 0.339 4.809 4.470 -0.001 0.000 0.273 586 S C 0.407 175.005 174.600 -0.002 0.000 1.180 586 S CA -0.336 57.864 58.200 -0.000 0.000 0.864 586 S CB 0.069 63.270 63.200 0.001 0.000 1.198 586 S HN 0.958 nan 8.310 nan 0.000 0.499 587 S N 1.170 116.869 115.700 -0.003 0.000 2.419 587 S HA -0.105 4.365 4.470 -0.001 0.000 0.233 587 S C 1.188 175.786 174.600 -0.004 0.000 1.016 587 S CA 1.290 59.487 58.200 -0.004 0.000 0.974 587 S CB -0.868 62.329 63.200 -0.004 0.000 0.786 587 S HN 0.639 nan 8.310 nan 0.000 0.492 588 N N 1.216 119.915 118.700 -0.002 0.000 2.395 588 N HA 0.092 4.831 4.740 -0.001 0.000 0.175 588 N C -0.116 175.393 175.510 -0.003 0.000 1.029 588 N CA 0.756 53.805 53.050 -0.002 0.000 0.897 588 N CB 0.044 38.530 38.487 -0.002 0.000 0.991 588 N HN 0.385 nan 8.380 nan 0.000 0.441 589 T N 0.392 114.944 114.554 -0.002 0.000 2.841 589 T HA 0.619 4.969 4.350 -0.001 0.000 0.283 589 T C -0.466 174.233 174.700 -0.003 0.000 1.000 589 T CA -0.746 61.353 62.100 -0.002 0.000 0.977 589 T CB 2.462 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 4.733 127.551 122.820 -0.003 0.000 2.331 590 A HA 0.673 4.993 4.320 -0.001 0.000 0.283 590 A C -2.242 175.340 177.584 -0.003 0.000 1.142 590 A CA -1.664 50.370 52.037 -0.004 0.000 0.812 590 A CB -0.182 18.815 19.000 -0.005 0.000 1.074 590 A HN 0.558 nan 8.150 nan 0.000 0.497 591 P HA 0.109 nan 4.420 nan 0.000 0.264 591 P C -0.390 176.909 177.300 -0.002 0.000 1.193 591 P CA 0.497 63.596 63.100 -0.001 0.000 0.763 591 P CB 0.417 32.116 31.700 -0.000 0.000 0.810 592 T N 2.248 116.802 114.554 -0.001 0.000 2.855 592 T HA 0.420 4.769 4.350 -0.001 0.000 0.281 592 T C 0.030 174.729 174.700 -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 3.107 117.659 114.554 -0.003 0.000 2.856 593 T HA 0.558 4.907 4.350 -0.001 0.000 0.283 593 T C -0.480 174.218 174.700 -0.004 0.000 1.008 593 T CA -0.767 61.331 62.100 -0.002 0.000 0.997 593 T CB 1.091 69.957 68.868 -0.004 0.000 0.992 593 T HN 0.266 nan 8.240 nan 0.000 0.454 594 R N 2.130 122.630 120.500 -0.000 0.000 2.480 594 R HA 0.363 4.703 4.340 -0.001 0.000 0.306 594 R C -0.930 175.372 176.300 0.003 0.000 0.958 594 R CA -0.472 55.627 56.100 -0.002 0.000 0.861 594 R CB 1.380 31.679 30.300 -0.000 0.000 1.171 594 R HN 0.616 nan 8.270 nan 0.000 0.445 595 T N 3.677 118.229 114.554 -0.005 0.000 2.738 595 T HA 0.054 4.403 4.350 -0.001 0.000 0.293 595 T C 0.045 174.749 174.700 0.006 0.000 0.913 595 T CA -0.054 62.045 62.100 -0.001 0.000 1.103 595 T CB 0.536 69.395 68.868 -0.016 0.000 0.880 595 T HN 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.469 125.406 119.914 0.038 0.000 2.455 596 V HA 0.221 4.341 4.120 -0.001 0.000 0.273 596 V C 0.569 176.682 176.094 0.032 0.000 1.045 596 V CA -0.157 62.169 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 0.804 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 4.898 4.740 -0.001 0.000 0.186 597 N C -0.429 175.001 175.510 -0.133 0.000 1.107 597 N CA 0.184 53.188 53.050 -0.076 0.000 0.884 597 N CB 0.601 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 0.590 120.909 120.400 -0.135 0.000 2.855 598 D HA 0.195 4.835 4.640 -0.001 0.000 0.241 598 D C -1.509 174.677 176.300 -0.191 0.000 1.277 598 D CA -0.363 53.548 54.000 -0.148 0.000 0.918 598 D CB 1.423 42.158 40.800 -0.108 0.000 1.462 598 D HN -0.256 nan 8.370 nan 0.000 0.559 599 Q N 2.737 122.362 119.800 -0.292 0.000 2.309 599 Q HA 0.653 4.992 4.340 -0.001 0.000 0.270 599 Q C 0.099 175.920 176.000 -0.298 0.000 1.023 599 Q CA -0.740 54.816 55.803 -0.413 0.000 0.758 599 Q CB 1.635 29.788 28.738 -0.975 0.000 1.247 599 Q HN 0.525 nan 8.270 nan 0.000 0.455 600 G N 2.072 110.740 108.800 -0.220 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 -0.477 174.277 174.900 -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 5.034 4.320 -0.001 0.000 0.271 601 A C -0.404 177.158 177.584 -0.037 0.000 1.091 601 A CA -0.216 51.708 52.037 -0.189 0.000 0.812 601 A CB 0.495 19.330 19.000 -0.275 0.000 1.056 601 A HN 0.575 nan 8.150 nan 0.000 0.489 602 L N 0.888 122.151 121.223 0.068 0.000 2.482 602 L HA 0.361 4.700 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 2.645 44.763 42.059 0.098 0.000 1.324 602 L HN 0.429 nan 8.230 nan 0.000 0.406 603 P HA 0.165 nan 4.420 nan 0.000 0.259 603 P C 0.672 178.079 177.300 0.178 0.000 1.211 603 P CA 0.685 63.883 63.100 0.163 0.000 0.810 603 P CB 0.456 32.223 31.700 0.113 0.000 0.815 604 G N 2.366 111.319 108.800 0.254 0.000 2.227 604 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.168 604 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.168 604 G C 0.132 175.267 174.900 0.390 0.000 1.006 604 G CA -0.605 44.693 45.100 0.329 0.000 0.684 604 G HN 0.398 nan 8.290 nan 0.000 0.489 605 M N 1.336 121.144 119.600 0.347 0.000 2.233 605 M HA 0.521 5.001 4.480 -0.001 0.000 0.350 605 M C 0.471 177.003 176.300 0.386 0.000 1.176 605 M CA -0.209 55.319 55.300 0.380 0.000 1.150 605 M CB 1.541 34.378 32.600 0.395 0.000 1.530 605 M HN 0.481 nan 8.290 nan 0.000 0.459 606 V N 0.861 120.960 119.914 0.307 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 61.666 62.300 0.077 0.000 0.894 606 V CB 1.205 32.938 31.823 -0.151 0.000 1.004 606 V HN 1.076 nan 8.190 nan 0.000 0.424 607 W N 2.459 123.736 121.300 -0.038 0.000 3.029 607 W HA 0.887 5.546 4.660 -0.001 0.000 0.339 607 W C -1.014 175.484 176.519 -0.034 0.000 1.198 607 W CA -1.065 56.261 57.345 -0.031 0.000 1.148 607 W CB 1.774 31.222 29.460 -0.020 0.000 1.451 607 W HN 0.685 nan 8.180 nan 0.000 0.564 608 Q N 1.968 121.874 119.800 0.176 0.000 2.274 608 Q HA 0.308 4.648 4.340 -0.001 0.000 0.260 608 Q C -0.401 175.718 176.000 0.198 0.000 0.974 608 Q CA -0.263 55.586 55.803 0.076 0.000 0.876 608 Q CB 1.322 30.088 28.738 0.046 0.000 1.297 608 Q HN 0.410 nan 8.270 nan 0.000 0.446 609 D N 1.056 121.540 120.400 0.141 0.000 2.414 609 D HA 0.206 4.845 4.640 -0.001 0.000 0.259 609 D C 0.483 176.873 176.300 0.149 0.000 1.269 609 D CA -0.196 53.931 54.000 0.211 0.000 1.028 609 D CB 0.604 41.539 40.800 0.225 0.000 1.093 609 D HN 0.464 nan 8.370 nan 0.000 0.545 610 R N -0.302 120.303 120.500 0.175 0.000 3.213 610 R HA 0.246 4.585 4.340 -0.001 0.000 0.188 610 R C -0.268 176.141 176.300 0.181 0.000 0.931 610 R CA 0.079 56.282 56.100 0.172 0.000 1.218 610 R CB 0.026 30.440 30.300 0.190 0.000 0.742 610 R HN 0.424 nan 8.270 nan 0.000 0.484 611 D N -0.841 119.656 120.400 0.161 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 -0.190 0.000 1.143 611 D CA -0.556 53.458 54.000 0.024 0.000 0.881 611 D CB 1.983 42.683 40.800 -0.166 0.000 1.500 611 D HN 0.243 nan 8.370 nan 0.000 0.458 612 V N 0.159 119.828 119.914 -0.409 0.000 2.483 612 V HA 0.694 4.813 4.120 -0.001 0.000 0.295 612 V C -1.079 174.840 176.094 -0.292 0.000 1.035 612 V CA -0.491 61.658 62.300 -0.252 0.000 0.896 612 V CB 0.759 32.397 31.823 -0.308 0.000 0.986 612 V HN 0.439 nan 8.190 nan 0.000 0.447 613 Y N 2.721 123.129 120.300 0.180 0.000 2.549 613 Y HA 0.581 5.130 4.550 -0.001 0.000 0.339 613 Y C 0.857 176.587 175.900 -0.284 0.000 1.053 613 Y CA -1.078 57.078 58.100 0.094 0.000 1.105 613 Y CB 1.515 40.062 38.460 0.145 0.000 1.258 613 Y HN 0.587 nan 8.280 nan 0.000 0.478 614 L N 1.411 122.284 121.223 -0.584 0.000 2.211 614 L HA -0.243 4.097 4.340 -0.001 0.000 0.216 614 L C 1.708 178.358 176.870 -0.366 0.000 1.092 614 L CA 2.051 56.191 54.840 -1.167 0.000 0.767 614 L CB -0.438 41.005 42.059 -1.027 0.000 0.894 614 L HN 0.825 nan 8.230 nan 0.000 0.437 615 Q N -1.388 118.300 119.800 -0.186 0.000 2.179 615 Q HA 0.305 4.644 4.340 -0.001 0.000 0.213 615 Q C 0.661 176.681 176.000 0.033 0.000 0.833 615 Q CA 0.375 56.167 55.803 -0.017 0.000 0.990 615 Q CB -0.303 28.284 28.738 -0.252 0.000 1.132 615 Q HN 0.363 nan 8.270 nan 0.000 0.493 616 G N 2.277 111.233 108.800 0.260 0.000 2.547 616 G HA2 0.478 4.438 3.960 -0.001 0.000 0.291 616 G HA3 0.478 4.438 3.960 -0.001 0.000 0.291 616 G C -2.717 172.375 174.900 0.320 0.000 1.211 616 G CA -1.253 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 0.434 177.701 177.300 -0.056 0.000 1.223 617 P CA -0.153 62.949 63.100 0.003 0.000 0.785 617 P CB 1.012 32.724 31.700 0.019 0.000 0.923 618 I N -1.046 119.352 120.570 -0.287 0.000 2.900 618 I HA 0.181 4.351 4.170 -0.001 0.000 0.251 618 I C 0.680 176.985 176.117 0.313 0.000 1.102 618 I CA 0.557 61.750 61.300 -0.178 0.000 1.457 618 I CB -0.298 37.643 38.000 -0.098 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 -1.217 56.280 57.345 0.254 0.000 1.011 619 W CB 0.822 30.472 29.460 0.317 0.000 1.511 619 W HN -0.068 nan 8.180 nan 0.000 0.606 620 A N 1.328 124.429 122.820 0.468 0.000 2.555 620 A HA 0.450 4.770 4.320 -0.001 0.000 0.297 620 A C -1.555 176.175 177.584 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 20.566 19.000 0.160 0.000 1.282 620 A HN 0.699 nan 8.150 nan 0.000 0.399 621 K N 3.539 124.030 120.400 0.151 0.000 2.315 621 K HA 0.366 4.685 4.320 -0.001 0.000 0.291 621 K C -0.484 176.066 176.600 -0.084 0.000 1.074 621 K CA -0.273 55.943 56.287 -0.118 0.000 0.936 621 K CB -0.234 31.977 32.500 -0.480 0.000 1.049 621 K HN 0.616 nan 8.250 nan 0.000 0.471 622 I N 7.584 128.079 120.570 -0.125 0.000 2.742 622 I HA -0.042 4.127 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 -1.578 59.626 61.300 -0.160 0.000 1.417 622 I CB 0.100 37.926 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 4.825 4.556 -0.001 0.000 0.261 624 H C 0.253 175.636 175.328 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 -0.677 113.888 114.554 0.018 0.000 2.870 625 T HA 0.148 4.497 4.350 -0.001 0.000 0.277 625 T C 1.004 175.560 174.700 -0.239 0.000 1.000 625 T CA -0.899 61.161 62.100 -0.065 0.000 0.982 625 T CB 1.172 70.018 68.868 -0.037 0.000 1.249 625 T HN 0.232 nan 8.240 nan 0.000 0.589 626 D N 0.415 120.703 120.400 -0.188 0.000 2.224 626 D HA 0.199 4.839 4.640 -0.001 0.000 0.205 626 D C 0.879 176.993 176.300 -0.309 0.000 0.965 626 D CA 1.095 54.978 54.000 -0.195 0.000 0.852 626 D CB -0.165 40.574 40.800 -0.103 0.000 0.947 626 D HN 0.826 nan 8.370 nan 0.000 0.494 627 G N -0.641 107.893 108.800 -0.443 0.000 2.746 627 G HA2 0.496 4.455 3.960 -0.001 0.000 0.297 627 G HA3 0.496 4.455 3.960 -0.001 0.000 0.297 627 G C -1.339 173.205 174.900 -0.594 0.000 1.426 627 G CA -0.688 44.125 45.100 -0.479 0.000 0.989 627 G HN 0.027 nan 8.290 nan 0.000 0.520 628 H N 1.320 120.403 119.070 0.021 0.000 2.928 628 H HA 0.512 5.068 4.556 -0.001 0.000 0.371 628 H C -0.428 174.980 175.328 0.133 0.000 1.186 628 H CA -0.685 55.397 56.048 0.057 0.000 1.134 628 H CB 2.525 32.295 29.762 0.013 0.000 1.824 628 H HN 0.409 nan 8.280 nan 0.000 0.554 629 F N 0.849 120.891 119.950 0.154 0.000 2.324 629 F HA 0.092 4.619 4.527 -0.001 0.000 0.260 629 F C 0.832 176.768 175.800 0.227 0.000 1.073 629 F CA 0.692 58.782 58.000 0.150 0.000 1.073 629 F CB 0.345 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 1.956 121.039 119.070 0.020 0.000 2.439 630 H HA 0.345 4.901 4.556 -0.001 0.000 0.239 630 H C -2.385 173.026 175.328 0.138 0.000 1.432 630 H CA -2.148 53.891 56.048 -0.015 0.000 1.373 630 H CB 0.235 30.109 29.762 0.186 0.000 1.463 630 H HN 0.068 nan 8.280 nan 0.000 0.530 631 P HA -0.009 nan 4.420 nan 0.000 0.235 631 P C -0.381 176.915 177.300 -0.007 0.000 1.670 631 P CA 0.323 63.415 63.100 -0.013 0.000 1.017 631 P CB -0.336 31.288 31.700 -0.127 0.000 1.945 632 S N 1.901 117.666 115.700 0.108 0.000 2.437 632 S HA 0.503 4.972 4.470 -0.001 0.000 0.305 632 S C -2.500 172.192 174.600 0.152 0.000 1.109 632 S CA -2.108 56.179 58.200 0.146 0.000 1.099 632 S CB 0.272 63.632 63.200 0.267 0.000 1.004 632 S HN -0.026 nan 8.310 nan 0.000 0.475 633 P HA 0.033 nan 4.420 nan 0.000 0.258 633 P C 0.722 178.094 177.300 0.120 0.000 1.172 633 P CA 0.205 63.373 63.100 0.113 0.000 0.762 633 P CB 0.281 32.048 31.700 0.112 0.000 0.764 634 L N 2.442 123.730 121.223 0.107 0.000 2.127 634 L HA -0.168 4.172 4.340 -0.001 0.000 0.211 634 L C 2.066 179.003 176.870 0.112 0.000 1.089 634 L CA 1.571 56.475 54.840 0.107 0.000 0.757 634 L CB -0.416 41.692 42.059 0.082 0.000 0.899 634 L HN 0.489 nan 8.230 nan 0.000 0.434 635 M N -0.860 118.801 119.600 0.103 0.000 2.619 635 M HA 0.140 4.620 4.480 -0.001 0.000 0.251 635 M C 0.727 177.114 176.300 0.144 0.000 1.106 635 M CA 0.504 55.869 55.300 0.109 0.000 1.086 635 M CB -0.021 32.627 32.600 0.080 0.000 1.465 635 M HN 0.336 nan 8.290 nan 0.000 0.506 636 G N -0.139 108.740 108.800 0.132 0.000 2.674 636 G HA2 0.290 4.250 3.960 -0.001 0.000 0.686 636 G HA3 0.290 4.250 3.960 -0.001 0.000 0.686 636 G C -0.366 174.579 174.900 0.075 0.000 1.195 636 G CA -0.628 44.544 45.100 0.119 0.000 0.776 636 G HN 0.733 nan 8.290 nan 0.000 0.654 637 G N -0.548 108.226 108.800 -0.042 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 -0.650 174.078 174.900 -0.286 0.000 1.267 637 G CA -0.081 44.905 45.100 -0.190 0.000 1.127 637 G HN 1.624 nan 8.290 nan 0.000 0.498 638 F N 1.966 122.057 119.950 0.234 0.000 2.388 638 F HA 0.568 5.095 4.527 -0.001 0.000 0.358 638 F C 1.131 177.044 175.800 0.188 0.000 1.122 638 F CA 0.069 58.180 58.000 0.185 0.000 1.056 638 F CB 2.014 41.113 39.000 0.166 0.000 1.155 638 F HN 0.712 nan 8.300 nan 0.000 0.461 639 G N 5.179 114.134 108.800 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 -0.822 174.149 174.900 0.117 0.000 1.189 639 G CA -0.416 44.774 45.100 0.151 0.000 0.941 639 G HN 0.580 nan 8.290 nan 0.000 0.445 640 L N 3.116 124.400 121.223 0.101 0.000 2.356 640 L HA 0.360 4.699 4.340 -0.001 0.000 0.277 640 L C 1.156 177.946 176.870 -0.133 0.000 0.996 640 L CA -1.114 53.748 54.840 0.038 0.000 0.822 640 L CB 2.218 44.352 42.059 0.124 0.000 1.256 640 L HN 0.425 nan 8.230 nan 0.000 0.413 641 K N 1.036 121.311 120.400 -0.208 0.000 2.026 641 K HA -0.035 4.285 4.320 -0.001 0.000 0.208 641 K C 0.324 176.468 176.600 -0.760 0.000 1.048 641 K CA 1.352 57.358 56.287 -0.469 0.000 0.929 641 K CB 0.044 32.267 32.500 -0.461 0.000 0.713 641 K HN 0.540 nan 8.250 nan 0.000 0.439 642 H N 0.583 119.528 119.070 -0.208 0.000 2.645 642 H HA 0.312 4.867 4.556 -0.001 0.000 0.257 642 H C -2.413 172.915 175.328 0.001 0.000 1.269 642 H CA -2.229 53.666 56.048 -0.253 0.000 1.409 642 H CB 1.148 30.908 29.762 -0.004 0.000 1.434 642 H HN 0.058 nan 8.280 nan 0.000 0.505 643 P HA 0.195 nan 4.420 nan 0.000 0.281 643 P C -2.647 174.447 177.300 -0.343 0.000 1.264 643 P CA -2.155 60.842 63.100 -0.172 0.000 0.824 643 P CB 0.268 31.892 31.700 -0.125 0.000 1.092 644 P HA -0.031 nan 4.420 nan 0.000 0.251 644 P C -2.007 175.097 177.300 -0.327 0.000 1.154 644 P CA -0.082 62.319 63.100 -1.166 0.000 0.805 644 P CB -1.279 29.735 31.700 -1.144 0.000 0.759 645 P HA -0.073 nan 4.420 nan 0.000 0.270 645 P C -0.306 176.863 177.300 -0.218 0.000 1.221 645 P CA 0.290 63.284 63.100 -0.176 0.000 0.788 645 P CB 0.656 32.128 31.700 -0.379 0.000 0.904 646 Q N 0.502 120.145 119.800 -0.261 0.000 2.286 646 Q HA 0.343 4.683 4.340 -0.001 0.000 0.257 646 Q C -0.457 175.202 176.000 -0.567 0.000 0.941 646 Q CA -0.383 55.177 55.803 -0.404 0.000 0.912 646 Q CB 0.289 28.740 28.738 -0.478 0.000 1.192 646 Q HN 0.314 nan 8.270 nan 0.000 0.410 647 I N 3.111 123.381 120.570 -0.500 0.000 2.307 647 I HA 0.199 4.368 4.170 -0.001 0.000 0.289 647 I C -0.419 175.453 176.117 -0.409 0.000 1.021 647 I CA -0.149 60.810 61.300 -0.568 0.000 1.224 647 I CB 0.806 38.404 38.000 -0.670 0.000 1.376 647 I HN 0.499 nan 8.210 nan 0.000 0.470 648 M N 6.646 125.838 119.600 -0.680 0.000 2.359 648 M HA 0.610 5.089 4.480 -0.001 0.000 0.322 648 M C -0.739 175.526 176.300 -0.058 0.000 1.166 648 M CA -0.355 54.662 55.300 -0.472 0.000 1.067 648 M CB 1.440 33.410 32.600 -1.049 0.000 1.523 648 M HN 0.494 nan 8.290 nan 0.000 0.467 649 I N 2.257 122.961 120.570 0.224 0.000 2.775 649 I HA 0.684 4.853 4.170 -0.001 0.000 0.295 649 I C -1.844 174.302 176.117 0.049 0.000 1.287 649 I CA -0.235 61.149 61.300 0.139 0.000 1.029 649 I CB 1.695 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 -2.011 174.412 176.600 -0.295 0.000 0.947 650 K CA -0.698 55.337 56.287 -0.419 0.000 0.854 650 K CB 0.610 32.427 32.500 -1.138 0.000 1.401 650 K HN 0.326 nan 8.250 nan 0.000 0.415 651 N N 1.191 119.783 118.700 -0.179 0.000 2.442 651 N HA 0.177 4.916 4.740 -0.001 0.000 0.265 651 N C -0.870 174.564 175.510 -0.128 0.000 1.138 651 N CA -0.316 52.680 53.050 -0.090 0.000 0.956 651 N CB 1.085 39.567 38.487 -0.009 0.000 1.067 651 N HN 0.655 nan 8.380 nan 0.000 0.474 652 T N 4.069 118.550 114.554 -0.122 0.000 2.829 652 T HA 0.100 4.449 4.350 -0.001 0.000 0.293 652 T C -2.187 172.391 174.700 -0.203 0.000 0.970 652 T CA -0.594 61.415 62.100 -0.151 0.000 1.168 652 T CB 0.074 68.888 68.868 -0.090 0.000 0.911 652 T HN 0.284 nan 8.240 nan 0.000 0.535 653 P HA 0.137 nan 4.420 nan 0.000 0.263 653 P C -0.820 176.260 177.300 -0.367 0.000 1.195 653 P CA -0.142 62.494 63.100 -0.772 0.000 0.762 653 P CB 0.380 31.419 31.700 -1.101 0.000 0.799 654 V N 7.249 127.047 119.914 -0.193 0.000 2.334 654 V HA 0.266 4.386 4.120 -0.001 0.000 0.281 654 V C -2.111 174.114 176.094 0.217 0.000 1.016 654 V CA -2.158 60.149 62.300 0.011 0.000 0.832 654 V CB 1.461 33.300 31.823 0.027 0.000 0.999 654 V HN 0.454 nan 8.190 nan 0.000 0.439 655 P HA 0.140 nan 4.420 nan 0.000 0.263 655 P C 0.236 177.627 177.300 0.152 0.000 1.195 655 P CA 0.456 63.625 63.100 0.114 0.000 0.762 655 P CB 0.688 32.203 31.700 -0.310 0.000 0.799 656 A N 4.366 127.317 122.820 0.218 0.000 2.404 656 A HA 0.036 4.355 4.320 -0.001 0.000 0.258 656 A C 0.725 178.401 177.584 0.155 0.000 1.644 656 A CA -0.053 52.077 52.037 0.155 0.000 0.847 656 A CB -0.349 18.719 19.000 0.114 0.000 1.473 656 A HN 0.595 nan 8.150 nan 0.000 0.602 657 N N 0.804 119.567 118.700 0.105 0.000 2.470 657 N HA 0.300 5.040 4.740 -0.001 0.000 0.268 657 N C -2.606 172.973 175.510 0.115 0.000 1.136 657 N CA -0.881 52.224 53.050 0.091 0.000 0.961 657 N CB 0.310 38.826 38.487 0.048 0.000 1.067 657 N HN 0.235 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 -1.253 61.949 63.100 0.169 0.000 0.844 658 P CB 0.290 32.123 31.700 0.221 0.000 1.068 659 P HA 0.229 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 -0.203 62.911 63.100 0.023 0.000 0.798 659 P CB 0.334 32.025 31.700 -0.015 0.000 0.979 660 T N -1.232 113.347 114.554 0.042 0.000 3.035 660 T HA -0.028 4.322 4.350 -0.001 0.000 0.268 660 T C 0.911 175.652 174.700 0.068 0.000 1.109 660 T CA 1.242 63.373 62.100 0.052 0.000 1.119 660 T CB -0.204 68.687 68.868 0.037 0.000 0.900 660 T HN 0.477 nan 8.240 nan 0.000 0.503 661 T N 1.033 115.625 114.554 0.063 0.000 2.867 661 T HA 0.485 4.835 4.350 -0.001 0.000 0.282 661 T C -0.739 174.035 174.700 0.123 0.000 1.000 661 T CA -0.971 61.181 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 4.252 124.214 119.950 0.021 0.000 2.484 662 F HA 0.494 5.021 4.527 -0.001 0.000 0.360 662 F C 0.331 176.145 175.800 0.023 0.000 1.101 662 F CA -0.048 57.970 58.000 0.029 0.000 1.251 662 F CB 0.643 39.660 39.000 0.029 0.000 1.132 662 F HN 0.448 nan 8.300 nan 0.000 0.570 663 S N 6.922 122.116 115.700 -0.843 0.000 2.605 663 S HA 0.510 4.980 4.470 -0.001 0.000 0.308 663 S C -1.906 172.140 174.600 -0.923 0.000 1.113 663 S CA -1.282 56.499 58.200 -0.699 0.000 1.049 663 S CB 1.410 64.408 63.200 -0.337 0.000 1.001 663 S HN 0.531 nan 8.310 nan 0.000 0.480 664 P HA 0.225 nan 4.420 nan 0.000 0.236 664 P C 0.166 177.373 177.300 -0.154 0.000 1.177 664 P CA 0.148 63.049 63.100 -0.333 0.000 0.773 664 P CB -0.040 31.592 31.700 -0.113 0.000 0.878 665 A N 0.908 123.626 122.820 -0.170 0.000 2.531 665 A HA 0.028 4.348 4.320 -0.001 0.000 0.236 665 A C 0.578 178.131 177.584 -0.053 0.000 1.062 665 A CA -0.211 51.766 52.037 -0.100 0.000 0.760 665 A CB -0.303 18.621 19.000 -0.127 0.000 0.995 665 A HN 0.065 nan 8.150 nan 0.000 0.501 666 K N 1.660 122.062 120.400 0.003 0.000 2.524 666 K HA 0.017 4.336 4.320 -0.001 0.000 0.279 666 K C -0.825 175.810 176.600 0.057 0.000 0.993 666 K CA 0.234 56.566 56.287 0.075 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 2.990 122.941 119.950 0.003 0.000 2.456 667 F HA 0.243 4.770 4.527 -0.001 0.000 0.358 667 F C 0.707 176.422 175.800 -0.141 0.000 1.095 667 F CA 0.765 58.705 58.000 -0.099 0.000 1.216 667 F CB 1.211 40.165 39.000 -0.077 0.000 1.125 667 F HN 0.681 nan 8.300 nan 0.000 0.549 668 A N 3.072 125.687 122.820 -0.342 0.000 2.704 668 A HA 0.181 4.500 4.320 -0.001 0.000 0.260 668 A C 0.130 177.475 177.584 -0.398 0.000 1.144 668 A CA 0.025 51.943 52.037 -0.199 0.000 0.985 668 A CB -0.123 18.863 19.000 -0.025 0.000 1.256 668 A HN 0.480 nan 8.150 nan 0.000 0.598 669 S N 0.715 116.009 115.700 -0.676 0.000 2.466 669 S HA 0.712 5.182 4.470 -0.001 0.000 0.313 669 S C -0.951 173.453 174.600 -0.327 0.000 1.078 669 S CA -0.338 57.625 58.200 -0.395 0.000 1.115 669 S CB -0.543 62.446 63.200 -0.351 0.000 1.006 669 S HN 0.202 nan 8.310 nan 0.000 0.487 670 F N 3.053 123.131 119.950 0.213 0.000 2.556 670 F HA 0.571 5.098 4.527 -0.001 0.000 0.327 670 F C 0.439 176.327 175.800 0.146 0.000 1.059 670 F CA -1.277 56.840 58.000 0.195 0.000 0.953 670 F CB 1.196 40.321 39.000 0.209 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 0.323 0.000 2.471 671 I HA 0.113 4.283 4.170 -0.001 0.000 0.286 671 I C 0.348 176.589 176.117 0.207 0.000 1.079 671 I CA -0.361 61.059 61.300 0.200 0.000 1.398 671 I CB 0.914 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 4.487 119.135 114.554 0.157 0.000 2.814 672 T HA 0.396 4.746 4.350 -0.001 0.000 0.297 672 T C -0.381 174.390 174.700 0.118 0.000 0.956 672 T CA -0.640 61.540 62.100 0.132 0.000 1.123 672 T CB 0.770 69.694 68.868 0.094 0.000 0.902 672 T HN 0.732 nan 8.240 nan 0.000 0.528 673 Q N 2.304 122.175 119.800 0.119 0.000 2.472 673 Q HA 0.563 4.903 4.340 -0.001 0.000 0.281 673 Q C -1.774 174.305 176.000 0.132 0.000 0.997 673 Q CA -1.356 54.505 55.803 0.096 0.000 0.828 673 Q CB 1.493 30.248 28.738 0.030 0.000 1.443 673 Q HN 0.863 nan 8.270 nan 0.000 0.390 674 Y N -1.144 119.147 120.300 -0.015 0.000 2.545 674 Y HA 0.836 5.386 4.550 -0.001 0.000 0.348 674 Y C -0.846 175.059 175.900 0.008 0.000 1.002 674 Y CA -0.825 57.261 58.100 -0.022 0.000 1.039 674 Y CB 2.036 40.466 38.460 -0.050 0.000 1.271 674 Y HN 0.820 nan 8.280 nan 0.000 0.467 675 S N 1.070 116.830 115.700 0.099 0.000 2.621 675 S HA 0.849 5.319 4.470 -0.001 0.000 0.302 675 S C -0.650 174.036 174.600 0.143 0.000 1.093 675 S CA -0.461 57.789 58.200 0.083 0.000 1.017 675 S CB 1.941 65.281 63.200 0.234 0.000 1.077 675 S HN 1.073 nan 8.310 nan 0.000 0.517 676 T N -0.458 114.001 114.554 -0.158 0.000 2.853 676 T HA 0.760 5.109 4.350 -0.001 0.000 0.311 676 T C -0.348 173.655 174.700 -1.161 0.000 1.307 676 T CA 0.269 61.949 62.100 -0.700 0.000 1.019 676 T CB 1.059 69.721 68.868 -0.344 0.000 1.264 676 T HN 1.736 nan 8.240 nan 0.000 0.497 677 G N 1.797 109.447 108.800 -1.916 0.000 2.325 677 G HA2 0.494 4.453 3.960 -0.001 0.000 0.295 677 G HA3 0.494 4.453 3.960 -0.001 0.000 0.295 677 G C -2.092 172.009 174.900 -1.332 0.000 1.274 677 G CA -0.666 43.693 45.100 -1.236 0.000 0.857 677 G HN 0.768 nan 8.290 nan 0.000 0.499 678 Q N -1.351 118.045 119.800 -0.674 0.000 2.248 678 Q HA 0.757 5.097 4.340 -0.001 0.000 0.263 678 Q C -0.571 175.209 176.000 -0.367 0.000 1.007 678 Q CA -0.730 54.719 55.803 -0.591 0.000 0.877 678 Q CB 2.540 30.789 28.738 -0.815 0.000 1.315 678 Q HN 0.972 nan 8.270 nan 0.000 0.454 679 V N 0.208 120.034 119.914 -0.147 0.000 2.841 679 V HA 0.830 4.950 4.120 -0.001 0.000 0.310 679 V C -1.594 174.398 176.094 -0.170 0.000 1.090 679 V CA -0.317 61.874 62.300 -0.181 0.000 0.930 679 V CB 2.343 34.115 31.823 -0.085 0.000 1.014 679 V HN 0.692 nan 8.190 nan 0.000 0.425 680 S N 4.309 119.896 115.700 -0.188 0.000 2.557 680 S HA 0.817 5.287 4.470 -0.001 0.000 0.291 680 S C -1.477 172.954 174.600 -0.281 0.000 1.116 680 S CA -0.453 57.665 58.200 -0.137 0.000 0.992 680 S CB 1.596 64.834 63.200 0.064 0.000 1.028 680 S HN 0.878 nan 8.310 nan 0.000 0.484 681 V N 4.954 124.734 119.914 -0.225 0.000 2.443 681 V HA 0.498 4.617 4.120 -0.001 0.000 0.293 681 V C -0.234 175.783 176.094 -0.129 0.000 1.021 681 V CA -0.651 61.513 62.300 -0.228 0.000 0.848 681 V CB 1.480 33.022 31.823 -0.468 0.000 0.998 681 V HN 0.902 nan 8.190 nan 0.000 0.424 682 E N 5.478 125.614 120.200 -0.107 0.000 2.151 682 E HA 0.651 5.000 4.350 -0.001 0.000 0.275 682 E C -1.422 175.128 176.600 -0.082 0.000 0.936 682 E CA -0.518 55.830 56.400 -0.086 0.000 0.777 682 E CB 1.420 31.055 29.700 -0.109 0.000 1.108 682 E HN 0.647 nan 8.360 nan 0.000 0.401 683 I N 3.533 124.058 120.570 -0.075 0.000 2.498 683 I HA 0.270 4.439 4.170 -0.001 0.000 0.290 683 I C -0.217 175.769 176.117 -0.220 0.000 1.032 683 I CA -0.801 60.398 61.300 -0.168 0.000 1.073 683 I CB 2.062 39.911 38.000 -0.252 0.000 1.251 683 I HN 0.554 nan 8.210 nan 0.000 0.426 684 E N 5.217 125.236 120.200 -0.302 0.000 2.231 684 E HA 0.373 4.723 4.350 -0.001 0.000 0.277 684 E C -1.935 174.424 176.600 -0.401 0.000 0.999 684 E CA -0.585 55.691 56.400 -0.207 0.000 0.827 684 E CB 1.305 30.933 29.700 -0.120 0.000 1.101 684 E HN 0.405 nan 8.360 nan 0.000 0.393 685 W N 2.730 124.019 121.300 -0.017 0.000 2.619 685 W HA 0.287 4.947 4.660 -0.001 0.000 0.327 685 W C -0.203 176.362 176.519 0.076 0.000 1.027 685 W CA -0.700 56.675 57.345 0.051 0.000 1.233 685 W CB 1.251 30.805 29.460 0.156 0.000 1.370 685 W HN 0.459 nan 8.180 nan 0.000 0.453 686 E N 3.255 123.603 120.200 0.248 0.000 2.331 686 E HA 0.473 4.823 4.350 -0.001 0.000 0.272 686 E C -0.901 175.977 176.600 0.464 0.000 1.036 686 E CA -0.284 56.270 56.400 0.257 0.000 0.864 686 E CB 0.823 30.599 29.700 0.126 0.000 1.035 686 E HN 0.461 nan 8.360 nan 0.000 0.408 687 L N 3.303 124.804 121.223 0.463 0.000 2.342 687 L HA 0.362 4.701 4.340 -0.001 0.000 0.271 687 L C -0.299 176.810 176.870 0.398 0.000 1.008 687 L CA -0.764 54.377 54.840 0.501 0.000 0.818 687 L CB 1.922 44.200 42.059 0.365 0.000 1.296 687 L HN 0.546 nan 8.230 nan 0.000 0.427 688 Q N 3.105 123.069 119.800 0.274 0.000 2.394 688 Q HA 0.251 4.591 4.340 -0.001 0.000 0.259 688 Q C -0.824 175.182 176.000 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 -0.471 0.000 1.226 688 Q HN 0.343 nan 8.270 nan 0.000 0.476 689 K N 1.835 122.198 120.400 -0.062 0.000 2.230 689 K HA 0.050 4.370 4.320 -0.001 0.000 0.253 689 K C -0.099 176.243 176.600 -0.429 0.000 1.008 689 K CA -0.005 56.187 56.287 -0.159 0.000 0.910 689 K CB 0.658 33.074 32.500 -0.139 0.000 0.994 689 K HN 0.656 nan 8.250 nan 0.000 0.495 690 E N 1.983 121.816 120.200 -0.612 0.000 2.200 690 E HA 0.035 4.384 4.350 -0.001 0.000 0.283 690 E C -1.019 175.004 176.600 -0.963 0.000 1.015 690 E CA -0.206 55.414 56.400 -1.300 0.000 0.819 690 E CB 0.556 29.625 29.700 -1.051 0.000 1.081 690 E HN 0.356 nan 8.360 nan 0.000 0.397 691 N N 2.948 121.014 118.700 -1.057 0.000 2.762 691 N HA 0.116 4.855 4.740 -0.001 0.000 0.252 691 N C -1.841 173.568 175.510 -0.169 0.000 1.269 691 N CA -0.222 52.576 53.050 -0.419 0.000 0.799 691 N CB 0.969 39.319 38.487 -0.228 0.000 1.173 691 N HN 0.232 nan 8.380 nan 0.000 0.516 692 S N 1.102 116.711 115.700 -0.151 0.000 2.513 692 S HA 0.444 4.914 4.470 -0.001 0.000 0.299 692 S C 0.062 174.684 174.600 0.036 0.000 1.087 692 S CA -0.617 57.626 58.200 0.070 0.000 1.012 692 S CB 0.670 63.989 63.200 0.199 0.000 1.044 692 S HN 0.261 nan 8.310 nan 0.000 0.485 693 K N 2.367 122.815 120.400 0.079 0.000 2.493 693 K HA 0.156 4.476 4.320 -0.001 0.000 0.207 693 K C 0.267 176.943 176.600 0.126 0.000 1.033 693 K CA -0.264 56.074 56.287 0.084 0.000 1.161 693 K CB -0.134 32.417 32.500 0.085 0.000 0.873 693 K HN 0.554 nan 8.250 nan 0.000 0.491 694 R N 0.964 121.536 120.500 0.119 0.000 2.502 694 R HA -0.108 4.232 4.340 -0.001 0.000 0.292 694 R C 1.083 177.474 176.300 0.152 0.000 0.998 694 R CA 0.235 56.419 56.100 0.140 0.000 1.056 694 R CB 0.067 30.440 30.300 0.121 0.000 0.939 694 R HN 0.296 nan 8.270 nan 0.000 0.411 695 W N 5.832 127.146 121.300 0.024 0.000 2.452 695 W HA -0.091 4.568 4.660 -0.001 0.000 0.313 695 W C -0.102 176.426 176.519 0.015 0.000 1.176 695 W CA 1.126 58.480 57.345 0.015 0.000 1.350 695 W CB -0.231 29.237 29.460 0.013 0.000 1.148 695 W HN 0.754 nan 8.180 nan 0.000 0.498 696 N N 2.067 120.890 118.700 0.205 0.000 2.444 696 N HA 0.089 4.829 4.740 -0.001 0.000 0.255 696 N C -2.700 172.814 175.510 0.006 0.000 1.255 696 N CA -1.049 52.053 53.050 0.086 0.000 0.933 696 N CB -0.613 37.972 38.487 0.165 0.000 1.143 696 N HN -0.103 nan 8.380 nan 0.000 0.453 697 P HA 0.077 nan 4.420 nan 0.000 0.267 697 P C -0.196 177.122 177.300 0.029 0.000 1.200 697 P CA 0.272 63.362 63.100 -0.016 0.000 0.772 697 P CB 0.552 32.241 31.700 -0.019 0.000 0.855 698 E N 1.352 121.577 120.200 0.042 0.000 2.292 698 E HA 0.366 4.716 4.350 -0.001 0.000 0.258 698 E C 0.290 176.943 176.600 0.088 0.000 1.115 698 E CA -0.995 55.452 56.400 0.078 0.000 0.929 698 E CB 0.810 30.576 29.700 0.110 0.000 1.161 698 E HN 0.439 nan 8.360 nan 0.000 0.453 699 I N -1.201 119.439 120.570 0.117 0.000 2.474 699 I HA 0.197 4.367 4.170 -0.001 0.000 0.287 699 I C -0.350 175.927 176.117 0.267 0.000 1.048 699 I CA -0.484 60.907 61.300 0.151 0.000 1.383 699 I CB 0.650 38.721 38.000 0.118 0.000 1.412 699 I HN 0.169 nan 8.210 nan 0.000 0.531 700 Q N 4.686 124.636 119.800 0.251 0.000 2.394 700 Q HA 0.303 4.643 4.340 -0.001 0.000 0.273 700 Q C -1.406 174.732 176.000 0.229 0.000 1.089 700 Q CA -0.796 55.137 55.803 0.217 0.000 0.812 700 Q CB 2.824 31.604 28.738 0.071 0.000 1.353 700 Q HN 0.791 nan 8.270 nan 0.000 0.438 701 Y N 0.996 121.186 120.300 -0.184 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 0.863 58.869 58.100 -0.156 0.000 1.331 701 Y CB 0.990 39.124 38.460 -0.543 0.000 1.253 701 Y HN 0.616 nan 8.280 nan 0.000 0.529 702 T N 3.634 117.783 114.554 -0.675 0.000 2.840 702 T HA 0.432 4.782 4.350 -0.001 0.000 0.317 702 T C -1.240 173.224 174.700 -0.394 0.000 1.401 702 T CA -0.752 61.151 62.100 -0.328 0.000 1.028 702 T CB 0.869 69.664 68.868 -0.122 0.000 1.317 702 T HN 0.614 nan 8.240 nan 0.000 0.495 703 S N 2.052 117.698 115.700 -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 57.576 58.200 0.009 0.000 1.035 703 S CB 0.183 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 1.928 120.657 118.700 0.048 0.000 2.427 704 N HA 0.055 4.795 4.740 -0.001 0.000 0.269 704 N C 0.649 176.205 175.510 0.077 0.000 1.235 704 N CA -0.127 52.964 53.050 0.068 0.000 0.934 704 N CB 0.173 38.661 38.487 0.002 0.000 1.121 704 N HN 0.755 nan 8.380 nan 0.000 0.480 705 Y N 1.092 121.390 120.300 -0.004 0.000 2.639 705 Y HA 0.080 4.629 4.550 -0.001 0.000 0.297 705 Y C 0.062 175.964 175.900 0.004 0.000 1.151 705 Y CA -0.514 57.588 58.100 0.003 0.000 1.335 705 Y CB -0.159 38.301 38.460 0.000 0.000 0.994 705 Y HN 0.313 nan 8.280 nan 0.000 0.548 706 N N 2.533 120.871 118.700 -0.604 0.000 2.415 706 N HA -0.031 4.708 4.740 -0.001 0.000 0.248 706 N C -0.496 174.876 175.510 -0.230 0.000 1.271 706 N CA -0.202 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 0.555 120.851 120.400 -0.175 0.000 2.453 707 K HA 0.002 4.322 4.320 -0.001 0.000 0.280 707 K C -0.303 176.250 176.600 -0.077 0.000 1.045 707 K CA 0.364 56.595 56.287 -0.093 0.000 1.059 707 K CB 0.216 32.673 32.500 -0.072 0.000 0.901 707 K HN 0.453 nan 8.250 nan 0.000 0.475 708 S N 2.785 118.454 115.700 -0.052 0.000 2.599 708 S HA 0.328 4.798 4.470 -0.001 0.000 0.294 708 S C 0.843 175.424 174.600 -0.032 0.000 1.094 708 S CA -1.053 57.121 58.200 -0.044 0.000 0.931 708 S CB 1.581 64.760 63.200 -0.036 0.000 1.093 708 S HN 0.366 nan 8.310 nan 0.000 0.488 709 V N 3.233 123.126 119.914 -0.034 0.000 2.238 709 V HA -0.009 4.111 4.120 -0.001 0.000 0.235 709 V C 0.797 176.874 176.094 -0.029 0.000 1.037 709 V CA 1.485 63.766 62.300 -0.032 0.000 0.991 709 V CB -0.865 30.936 31.823 -0.038 0.000 0.638 709 V HN 0.837 nan 8.190 nan 0.000 0.457 710 N N -0.897 117.781 118.700 -0.036 0.000 2.472 710 N HA 0.477 5.216 4.740 -0.001 0.000 0.289 710 N C -1.029 174.465 175.510 -0.026 0.000 1.156 710 N CA -0.601 52.427 53.050 -0.036 0.000 0.940 710 N CB 1.969 40.421 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 0.043 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 -0.434 61.881 62.300 0.024 0.000 0.997 711 V CB 0.763 32.619 31.823 0.056 0.000 0.987 711 V HN 0.615 nan 8.190 nan 0.000 0.477 712 D N 4.650 125.085 120.400 0.057 0.000 2.531 712 D HA 0.105 4.744 4.640 -0.001 0.000 0.239 712 D C 0.110 176.534 176.300 0.206 0.000 1.144 712 D CA 0.682 54.716 54.000 0.057 0.000 0.869 712 D CB 0.013 40.937 40.800 0.208 0.000 1.160 712 D HN 0.484 nan 8.370 nan 0.000 0.484 713 F N 0.021 119.922 119.950 -0.082 0.000 2.563 713 F HA -0.266 4.261 4.527 -0.001 0.000 0.351 713 F C 0.315 176.096 175.800 -0.032 0.000 1.086 713 F CA 0.351 58.266 58.000 -0.143 0.000 1.174 713 F CB -1.736 37.303 39.000 0.065 0.000 1.590 713 F HN 0.166 nan 8.300 nan 0.000 0.808 714 T N -0.762 113.722 114.554 -0.117 0.000 2.786 714 T HA 0.607 4.957 4.350 -0.001 0.000 0.316 714 T C -0.175 174.455 174.700 -0.115 0.000 1.503 714 T CA -0.464 61.651 62.100 0.024 0.000 1.019 714 T CB 1.928 70.824 68.868 0.046 0.000 1.415 714 T HN 0.495 nan 8.240 nan 0.000 0.496 715 V N 0.357 120.210 119.914 -0.101 0.000 3.185 715 V HA 0.639 4.758 4.120 -0.001 0.000 0.305 715 V C 0.234 176.273 176.094 -0.091 0.000 1.090 715 V CA -0.375 61.840 62.300 -0.141 0.000 1.107 715 V CB 0.399 32.114 31.823 -0.181 0.000 1.061 715 V HN 0.996 nan 8.190 nan 0.000 0.480 716 D N 1.076 121.427 120.400 -0.082 0.000 2.509 716 D HA 0.243 4.883 4.640 -0.001 0.000 0.275 716 D C 1.393 177.669 176.300 -0.040 0.000 1.189 716 D CA 0.360 54.323 54.000 -0.061 0.000 1.098 716 D CB -0.252 40.508 40.800 -0.067 0.000 1.177 716 D HN 0.688 nan 8.370 nan 0.000 0.599 717 T N -2.969 111.565 114.554 -0.033 0.000 2.915 717 T HA -0.121 4.228 4.350 -0.001 0.000 0.269 717 T C 0.683 175.372 174.700 -0.018 0.000 1.071 717 T CA 1.276 63.362 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 0.253 118.940 118.700 -0.021 0.000 2.291 718 N HA 0.413 5.152 4.740 -0.001 0.000 0.244 718 N C 0.714 176.216 175.510 -0.013 0.000 1.216 718 N CA -0.166 52.875 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 -0.938 173.945 174.900 -0.028 0.000 1.115 719 G CA -0.004 45.082 45.100 -0.023 0.000 1.122 719 G HN 0.343 nan 8.290 nan 0.000 0.522 720 V N 1.901 121.783 119.914 -0.053 0.000 2.488 720 V HA 0.412 4.531 4.120 -0.001 0.000 0.293 720 V C 0.019 176.069 176.094 -0.074 0.000 1.027 720 V CA -1.343 60.932 62.300 -0.042 0.000 0.862 720 V CB 1.515 33.317 31.823 -0.035 0.000 1.008 720 V HN 0.563 nan 8.190 nan 0.000 0.428 721 Y N 4.417 124.585 120.300 -0.220 0.000 2.511 721 Y HA 0.461 5.011 4.550 -0.001 0.000 0.332 721 Y C 0.718 176.533 175.900 -0.142 0.000 1.177 721 Y CA 0.265 58.212 58.100 -0.254 0.000 1.422 721 Y CB 1.014 39.300 38.460 -0.291 0.000 1.271 721 Y HN 0.729 nan 8.280 nan 0.000 0.550 722 S N 4.371 119.634 115.700 -0.729 0.000 2.619 722 S HA 0.413 4.883 4.470 -0.001 0.000 0.280 722 S C -1.506 172.641 174.600 -0.755 0.000 1.150 722 S CA -1.196 56.672 58.200 -0.553 0.000 0.978 722 S CB 1.403 64.396 63.200 -0.344 0.000 1.041 722 S HN 0.675 nan 8.310 nan 0.000 0.485 723 E N 3.097 122.962 120.200 -0.558 0.000 2.001 723 E HA 0.218 4.567 4.350 -0.001 0.000 0.279 723 E C -1.856 174.388 176.600 -0.594 0.000 1.045 723 E CA -2.002 54.036 56.400 -0.603 0.000 0.833 723 E CB 0.458 30.044 29.700 -0.191 0.000 1.077 723 E HN 0.355 nan 8.360 nan 0.000 0.397 724 P HA -0.216 nan 4.420 nan 0.000 0.208 724 P C 0.203 177.339 177.300 -0.273 0.000 1.180 724 P CA 1.519 64.322 63.100 -0.495 0.000 0.935 724 P CB 0.181 31.559 31.700 -0.538 0.000 0.785 725 R N -1.611 118.779 120.500 -0.184 0.000 2.892 725 R HA 0.616 4.955 4.340 -0.001 0.000 0.265 725 R C -2.949 173.407 176.300 0.092 0.000 1.025 725 R CA -2.323 53.786 56.100 0.014 0.000 0.982 725 R CB 0.096 30.470 30.300 0.123 0.000 1.185 725 R HN -0.138 nan 8.270 nan 0.000 0.484 726 P HA 0.198 nan 4.420 nan 0.000 0.274 726 P C -0.698 176.764 177.300 0.268 0.000 1.231 726 P CA -0.368 62.792 63.100 0.100 0.000 0.790 726 P CB 0.524 32.250 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 61.214 61.300 0.379 0.000 1.135 727 I CB 0.751 38.849 38.000 0.162 0.000 1.288 727 I HN 0.418 nan 8.210 nan 0.000 0.448 728 G N 3.532 112.683 108.800 0.586 0.000 2.631 728 G HA2 0.222 4.182 3.960 -0.001 0.000 0.271 728 G HA3 0.222 4.182 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 0.147 45.463 45.100 0.360 0.000 1.002 728 G HN 0.577 nan 8.290 nan 0.000 0.519 729 T N -1.403 113.242 114.554 0.151 0.000 2.986 729 T HA 0.176 4.526 4.350 -0.001 0.000 0.264 729 T C 0.912 175.722 174.700 0.183 0.000 0.964 729 T CA -0.221 61.944 62.100 0.109 0.000 0.895 729 T CB 0.022 68.961 68.868 0.117 0.000 1.163 729 T HN 0.362 nan 8.240 nan 0.000 0.517 730 R N 1.205 121.801 120.500 0.160 0.000 2.391 730 R HA 0.344 4.684 4.340 -0.001 0.000 0.310 730 R C -0.591 175.744 176.300 0.059 0.000 1.174 730 R CA -0.167 55.964 56.100 0.051 0.000 1.118 730 R CB 0.375 30.612 30.300 -0.105 0.000 1.134 730 R HN 0.327 nan 8.270 nan 0.000 0.524 731 Y N 0.598 120.922 120.300 0.041 0.000 2.452 731 Y HA 0.237 4.787 4.550 -0.001 0.000 0.262 731 Y C 0.464 176.419 175.900 0.092 0.000 1.089 731 Y CA -0.068 58.075 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 0.735 122.118 121.223 0.268 0.000 2.334 732 L HA 0.467 4.807 4.340 -0.001 0.000 0.275 732 L C 0.169 177.137 176.870 0.163 0.000 1.036 732 L CA -0.763 54.263 54.840 0.309 0.000 0.807 732 L CB 1.561 43.966 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 0.167 0.000 2.794 733 T HA 0.573 4.922 4.350 -0.001 0.000 0.280 733 T C -0.414 174.219 174.700 -0.112 0.000 0.987 733 T CA -0.876 61.234 62.100 0.017 0.000 0.993 733 T CB 2.030 70.939 68.868 0.069 0.000 0.939 733 T HN 0.592 nan 8.240 nan 0.000 0.449 734 R N 2.086 122.399 120.500 -0.312 0.000 2.807 734 R HA 0.477 4.817 4.340 -0.001 0.000 0.276 734 R C -0.728 175.502 176.300 -0.117 0.000 0.979 734 R CA -0.677 55.188 56.100 -0.392 0.000 0.928 734 R CB 1.447 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 0.948 119.617 118.700 -0.052 0.000 2.374 735 N HA 0.345 5.085 4.740 -0.001 0.000 0.284 735 N C -0.220 175.321 175.510 0.052 0.000 1.280 735 N CA -0.269 52.796 53.050 0.025 0.000 0.963 735 N CB 0.326 38.821 38.487 0.013 0.000 1.141 735 N HN 0.361 nan 8.380 nan 0.000 0.565 736 L N 0.000 121.220 121.223 -0.006 0.000 2.949 736 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 736 L CA 0.000 54.781 54.840 -0.098 0.000 0.813 736 L CB 0.000 41.952 42.059 -0.178 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502