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 3kic_1_K 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 0.000 174.926 174.900 0.044 0.000 0.946 217 G CA 0.000 45.116 45.100 0.026 0.000 0.502 218 A N 2.533 125.374 122.820 0.035 0.000 2.446 218 A HA 0.825 5.145 4.320 -0.001 0.000 0.282 218 A C -0.997 176.607 177.584 0.032 0.000 1.102 218 A CA -0.576 51.485 52.037 0.040 0.000 0.737 218 A CB 1.691 20.713 19.000 0.035 0.000 1.212 218 A HN 0.448 nan 8.150 nan 0.000 0.434 219 D N 0.603 121.026 120.400 0.038 0.000 2.808 219 D HA 0.703 5.343 4.640 -0.001 0.000 0.249 219 D C 0.700 177.019 176.300 0.031 0.000 1.151 219 D CA 0.220 54.238 54.000 0.031 0.000 1.089 219 D CB 1.416 42.235 40.800 0.032 0.000 1.295 219 D HN 0.670 nan 8.370 nan 0.000 0.631 220 G N -0.747 108.069 108.800 0.027 0.000 2.642 220 G HA2 0.433 4.392 3.960 -0.001 0.000 0.291 220 G HA3 0.433 4.392 3.960 -0.001 0.000 0.291 220 G C 0.882 175.797 174.900 0.024 0.000 1.345 220 G CA -0.298 44.816 45.100 0.023 0.000 1.043 220 G HN 0.205 nan 8.290 nan 0.000 0.528 221 V N 0.548 120.473 119.914 0.018 0.000 2.255 221 V HA 0.034 4.153 4.120 -0.001 0.000 0.243 221 V C 2.525 178.627 176.094 0.014 0.000 1.038 221 V CA 2.118 64.427 62.300 0.015 0.000 1.008 221 V CB -0.647 31.181 31.823 0.009 0.000 0.645 221 V HN 0.760 nan 8.190 nan 0.000 0.449 222 G N 0.750 109.557 108.800 0.011 0.000 3.530 222 G HA2 0.149 4.108 3.960 -0.001 0.000 0.269 222 G HA3 0.149 4.108 3.960 -0.001 0.000 0.269 222 G C -0.031 174.878 174.900 0.014 0.000 1.314 222 G CA 0.021 45.127 45.100 0.010 0.000 1.441 222 G HN 0.471 nan 8.290 nan 0.000 0.595 223 N N -0.016 118.696 118.700 0.020 0.000 2.519 223 N HA 0.266 5.005 4.740 -0.001 0.000 0.291 223 N C -0.059 175.474 175.510 0.038 0.000 1.107 223 N CA -0.524 52.541 53.050 0.025 0.000 0.904 223 N CB 1.405 39.905 38.487 0.022 0.000 1.500 223 N HN 0.036 nan 8.380 nan 0.000 0.510 224 S N 1.541 117.266 115.700 0.043 0.000 2.549 224 S HA 0.085 4.555 4.470 -0.001 0.000 0.286 224 S C 0.835 175.480 174.600 0.075 0.000 1.314 224 S CA -0.225 58.017 58.200 0.070 0.000 1.062 224 S CB 0.666 63.911 63.200 0.075 0.000 0.865 224 S HN 0.611 nan 8.310 nan 0.000 0.498 225 S N 1.112 116.884 115.700 0.120 0.000 2.618 225 S HA 0.580 5.050 4.470 -0.001 0.000 0.242 225 S C 0.655 175.300 174.600 0.075 0.000 0.972 225 S CA -0.254 58.014 58.200 0.113 0.000 1.004 225 S CB -0.698 62.595 63.200 0.155 0.000 0.778 225 S HN 1.544 nan 8.310 nan 0.000 0.459 226 G N 0.361 109.169 108.800 0.014 0.000 2.328 226 G HA2 0.324 4.284 3.960 -0.001 0.000 0.299 226 G HA3 0.324 4.284 3.960 -0.001 0.000 0.299 226 G C -1.901 172.900 174.900 -0.166 0.000 1.435 226 G CA -1.073 43.852 45.100 -0.293 0.000 0.865 226 G HN 0.281 nan 8.290 nan 0.000 0.601 227 N N -1.027 117.486 118.700 -0.311 0.000 2.545 227 N HA 0.466 5.205 4.740 -0.001 0.000 0.289 227 N C -1.010 174.405 175.510 -0.157 0.000 1.279 227 N CA -0.849 52.094 53.050 -0.179 0.000 0.824 227 N CB 2.208 40.519 38.487 -0.294 0.000 1.395 227 N HN 0.532 nan 8.380 nan 0.000 0.526 228 W N 2.577 123.725 121.300 -0.253 0.000 2.367 228 W HA 0.189 4.849 4.660 -0.001 0.000 0.329 228 W C -1.056 175.293 176.519 -0.284 0.000 1.066 228 W CA 0.027 57.296 57.345 -0.126 0.000 1.435 228 W CB -0.087 29.343 29.460 -0.049 0.000 1.296 228 W HN 0.479 nan 8.180 nan 0.000 0.401 229 H N 5.319 124.294 119.070 -0.158 0.000 2.700 229 H HA 0.181 4.736 4.556 -0.001 0.000 0.269 229 H C -0.207 174.994 175.328 -0.211 0.000 1.222 229 H CA -0.217 55.761 56.048 -0.117 0.000 1.254 229 H CB 0.971 30.657 29.762 -0.126 0.000 1.413 229 H HN 0.165 nan 8.280 nan 0.000 0.507 230 C N 4.105 123.406 119.300 0.001 0.000 2.437 230 C HA 0.387 4.846 4.460 -0.001 0.000 0.307 230 C C -0.542 174.502 174.990 0.090 0.000 1.093 230 C CA -0.277 58.746 59.018 0.009 0.000 1.463 230 C CB -0.710 27.091 27.740 0.101 0.000 1.926 230 C HN 0.873 nan 8.230 nan 0.000 0.420 231 D N 1.920 122.347 120.400 0.046 0.000 2.665 231 D HA 0.712 5.352 4.640 -0.001 0.000 0.287 231 D C -1.289 175.013 176.300 0.002 0.000 1.266 231 D CA 0.179 54.208 54.000 0.048 0.000 0.830 231 D CB 2.295 43.135 40.800 0.066 0.000 1.356 231 D HN 0.595 nan 8.370 nan 0.000 0.437 232 S N 0.505 116.208 115.700 0.005 0.000 2.562 232 S HA 0.703 5.173 4.470 -0.001 0.000 0.274 232 S C -1.862 172.723 174.600 -0.026 0.000 1.160 232 S CA -0.811 57.348 58.200 -0.069 0.000 0.933 232 S CB 1.562 64.693 63.200 -0.115 0.000 1.100 232 S HN 0.422 nan 8.310 nan 0.000 0.468 233 Q N 1.421 121.161 119.800 -0.100 0.000 2.416 233 Q HA 0.746 5.086 4.340 -0.001 0.000 0.281 233 Q C -1.865 174.085 176.000 -0.082 0.000 1.067 233 Q CA -0.502 55.317 55.803 0.027 0.000 0.809 233 Q CB 0.485 29.267 28.738 0.073 0.000 1.418 233 Q HN 0.743 nan 8.270 nan 0.000 0.411 234 W N 1.417 122.736 121.300 0.031 0.000 2.512 234 W HA 0.578 5.237 4.660 -0.001 0.000 0.335 234 W C -0.062 176.474 176.519 0.028 0.000 1.088 234 W CA -0.777 56.589 57.345 0.035 0.000 1.236 234 W CB 1.012 30.486 29.460 0.025 0.000 1.307 234 W HN 0.487 nan 8.180 nan 0.000 0.567 235 L N 3.298 124.662 121.223 0.235 0.000 3.122 235 L HA 0.244 4.584 4.340 -0.001 0.000 0.274 235 L C 1.624 178.577 176.870 0.139 0.000 1.222 235 L CA 0.718 55.645 54.840 0.144 0.000 1.028 235 L CB -0.672 41.438 42.059 0.086 0.000 1.386 235 L HN 0.999 nan 8.230 nan 0.000 0.578 236 G N 1.049 109.964 108.800 0.191 0.000 2.451 236 G HA2 -0.434 3.526 3.960 -0.001 0.000 0.253 236 G HA3 -0.434 3.526 3.960 -0.001 0.000 0.253 236 G C 0.940 175.909 174.900 0.116 0.000 1.033 236 G CA 1.108 46.285 45.100 0.129 0.000 0.633 236 G HN 0.396 nan 8.290 nan 0.000 0.537 237 D N 0.026 120.497 120.400 0.118 0.000 2.449 237 D HA 0.225 4.865 4.640 -0.001 0.000 0.210 237 D C 1.099 177.489 176.300 0.150 0.000 1.094 237 D CA 0.937 55.003 54.000 0.110 0.000 0.846 237 D CB 0.248 41.094 40.800 0.077 0.000 1.003 237 D HN 0.849 nan 8.370 nan 0.000 0.504 238 R N -1.607 118.988 120.500 0.159 0.000 2.741 238 R HA 0.573 4.913 4.340 -0.001 0.000 0.276 238 R C -2.040 174.321 176.300 0.101 0.000 1.028 238 R CA -0.993 55.200 56.100 0.155 0.000 0.865 238 R CB 1.042 31.408 30.300 0.109 0.000 1.268 238 R HN -0.121 nan 8.270 nan 0.000 0.475 239 V N 1.664 121.600 119.914 0.037 0.000 2.760 239 V HA 0.594 4.714 4.120 -0.001 0.000 0.309 239 V C -1.601 174.442 176.094 -0.084 0.000 1.077 239 V CA -0.868 61.300 62.300 -0.220 0.000 0.910 239 V CB 1.939 33.318 31.823 -0.740 0.000 1.008 239 V HN 0.678 nan 8.190 nan 0.000 0.424 240 I N 5.716 126.188 120.570 -0.164 0.000 2.362 240 I HA 0.538 4.708 4.170 -0.001 0.000 0.289 240 I C 0.407 176.441 176.117 -0.137 0.000 0.994 240 I CA 0.016 61.265 61.300 -0.085 0.000 1.158 240 I CB 2.055 40.005 38.000 -0.082 0.000 1.315 240 I HN 0.792 nan 8.210 nan 0.000 0.451 241 T N 1.448 115.960 114.554 -0.071 0.000 2.771 241 T HA 0.724 5.073 4.350 -0.001 0.000 0.281 241 T C -0.125 174.553 174.700 -0.037 0.000 0.982 241 T CA -0.633 61.398 62.100 -0.115 0.000 0.978 241 T CB 1.021 69.759 68.868 -0.216 0.000 0.930 241 T HN 0.475 nan 8.240 nan 0.000 0.447 242 T N 2.442 116.969 114.554 -0.045 0.000 2.829 242 T HA 0.675 5.025 4.350 -0.001 0.000 0.280 242 T C -0.535 174.138 174.700 -0.045 0.000 0.999 242 T CA -0.807 61.269 62.100 -0.040 0.000 0.983 242 T CB 1.641 70.481 68.868 -0.045 0.000 0.968 242 T HN 0.701 nan 8.240 nan 0.000 0.446 243 S N 1.609 117.266 115.700 -0.071 0.000 2.619 243 S HA 0.661 5.131 4.470 -0.001 0.000 0.280 243 S C -0.902 173.565 174.600 -0.221 0.000 1.150 243 S CA -0.555 57.574 58.200 -0.119 0.000 0.978 243 S CB 0.972 64.121 63.200 -0.085 0.000 1.041 243 S HN 0.711 nan 8.310 nan 0.000 0.485 244 T N 5.432 119.737 114.554 -0.415 0.000 2.863 244 T HA 0.708 5.058 4.350 -0.001 0.000 0.285 244 T C -0.803 173.535 174.700 -0.603 0.000 1.009 244 T CA -0.946 60.745 62.100 -0.682 0.000 0.989 244 T CB 1.138 69.181 68.868 -1.374 0.000 1.004 244 T HN 0.486 nan 8.240 nan 0.000 0.455 245 R N 1.014 121.373 120.500 -0.237 0.000 2.774 245 R HA 0.603 4.942 4.340 -0.001 0.000 0.272 245 R C -0.921 175.566 176.300 0.311 0.000 1.000 245 R CA -0.811 55.398 56.100 0.182 0.000 0.906 245 R CB 1.650 32.145 30.300 0.326 0.000 1.227 245 R HN 0.574 nan 8.270 nan 0.000 0.468 246 T N 2.712 117.496 114.554 0.382 0.000 2.837 246 T HA 0.543 4.893 4.350 -0.001 0.000 0.285 246 T C -0.295 174.474 174.700 0.114 0.000 0.984 246 T CA -0.560 61.636 62.100 0.160 0.000 1.049 246 T CB 0.638 69.562 68.868 0.094 0.000 0.947 246 T HN 0.462 nan 8.240 nan 0.000 0.472 247 W N 0.572 121.801 121.300 -0.119 0.000 2.864 247 W HA 0.820 5.480 4.660 -0.001 0.000 0.343 247 W C -1.441 174.903 176.519 -0.293 0.000 1.109 247 W CA -1.690 55.351 57.345 -0.507 0.000 1.192 247 W CB 1.351 30.500 29.460 -0.519 0.000 1.426 247 W HN 0.736 nan 8.180 nan 0.000 0.529 248 A N 2.950 125.768 122.820 -0.003 0.000 2.386 248 A HA 0.789 5.109 4.320 -0.001 0.000 0.311 248 A C -2.154 175.550 177.584 0.200 0.000 1.068 248 A CA -0.789 51.304 52.037 0.093 0.000 0.743 248 A CB 2.001 21.008 19.000 0.011 0.000 1.258 248 A HN 0.692 nan 8.150 nan 0.000 0.429 249 L N 3.682 125.074 121.223 0.282 0.000 2.404 249 L HA 0.672 5.012 4.340 -0.001 0.000 0.272 249 L C -2.647 174.276 176.870 0.088 0.000 0.980 249 L CA -1.555 53.386 54.840 0.169 0.000 0.836 249 L CB 2.130 44.315 42.059 0.211 0.000 1.238 249 L HN 0.451 nan 8.230 nan 0.000 0.408 250 P HA 0.382 nan 4.420 nan 0.000 0.312 250 P C -1.035 176.103 177.300 -0.271 0.000 1.308 250 P CA -0.385 62.576 63.100 -0.232 0.000 0.743 250 P CB 0.576 31.972 31.700 -0.508 0.000 1.364 251 T N 0.132 114.495 114.554 -0.318 0.000 2.929 251 T HA 0.356 4.705 4.350 -0.001 0.000 0.331 251 T C -0.493 173.990 174.700 -0.363 0.000 1.120 251 T CA -0.041 61.864 62.100 -0.326 0.000 0.973 251 T CB -0.989 67.645 68.868 -0.391 0.000 1.036 251 T HN 0.108 nan 8.240 nan 0.000 0.502 252 Y N 2.145 122.346 120.300 -0.166 0.000 2.397 252 Y HA 0.125 4.675 4.550 -0.001 0.000 0.335 252 Y C 1.721 177.538 175.900 -0.139 0.000 1.213 252 Y CA 0.038 58.066 58.100 -0.120 0.000 1.391 252 Y CB 0.307 38.726 38.460 -0.068 0.000 1.293 252 Y HN 0.693 nan 8.280 nan 0.000 0.557 253 N N 1.731 120.489 118.700 0.096 0.000 2.690 253 N HA -0.411 4.328 4.740 -0.001 0.000 0.249 253 N C -0.194 175.307 175.510 -0.014 0.000 1.125 253 N CA 0.806 53.879 53.050 0.039 0.000 0.794 253 N CB -0.575 37.938 38.487 0.043 0.000 1.152 253 N HN 0.784 nan 8.380 nan 0.000 0.571 254 N N -0.060 118.570 118.700 -0.117 0.000 2.735 254 N HA -0.203 4.537 4.740 -0.001 0.000 0.248 254 N C -0.575 174.847 175.510 -0.146 0.000 1.083 254 N CA 2.029 54.975 53.050 -0.173 0.000 0.703 254 N CB -1.729 36.754 38.487 -0.007 0.000 1.005 254 N HN 0.764 nan 8.380 nan 0.000 0.550 255 H N -2.871 116.152 119.070 -0.078 0.000 2.899 255 H HA -0.189 4.366 4.556 -0.001 0.000 0.282 255 H C -0.180 175.149 175.328 0.001 0.000 1.198 255 H CA 1.125 57.094 56.048 -0.133 0.000 1.140 255 H CB -1.205 28.340 29.762 -0.361 0.000 1.317 255 H HN 0.302 nan 8.280 nan 0.000 0.375 256 L N 0.400 121.693 121.223 0.117 0.000 2.362 256 L HA 0.445 4.784 4.340 -0.001 0.000 0.271 256 L C -0.156 176.808 176.870 0.156 0.000 1.002 256 L CA -1.011 53.945 54.840 0.194 0.000 0.818 256 L CB 1.217 43.384 42.059 0.181 0.000 1.298 256 L HN 0.029 nan 8.230 nan 0.000 0.420 257 Y N 2.241 122.685 120.300 0.239 0.000 2.404 257 Y HA 0.291 4.840 4.550 -0.001 0.000 0.344 257 Y C -0.004 176.037 175.900 0.235 0.000 0.995 257 Y CA -0.213 58.060 58.100 0.289 0.000 1.201 257 Y CB 0.837 39.534 38.460 0.395 0.000 1.151 257 Y HN 0.297 nan 8.280 nan 0.000 0.517 258 K N 3.002 123.583 120.400 0.301 0.000 2.292 258 K HA 0.244 4.563 4.320 -0.001 0.000 0.257 258 K C -0.685 176.000 176.600 0.143 0.000 0.940 258 K CA -1.025 55.373 56.287 0.184 0.000 0.811 258 K CB 1.875 34.428 32.500 0.089 0.000 1.120 258 K HN 0.591 nan 8.250 nan 0.000 0.428 259 Q N 4.765 124.590 119.800 0.041 0.000 2.296 259 Q HA 0.246 4.586 4.340 -0.001 0.000 0.262 259 Q C -0.645 175.118 176.000 -0.394 0.000 0.981 259 Q CA -0.305 55.294 55.803 -0.340 0.000 0.905 259 Q CB 0.418 28.980 28.738 -0.293 0.000 1.186 259 Q HN 0.631 nan 8.270 nan 0.000 0.399 260 I N 0.727 120.928 120.570 -0.615 0.000 2.740 260 I HA 0.821 4.991 4.170 -0.001 0.000 0.303 260 I C -0.655 175.060 176.117 -0.669 0.000 1.044 260 I CA -0.712 60.316 61.300 -0.452 0.000 1.064 260 I CB 2.332 40.175 38.000 -0.261 0.000 1.249 260 I HN 0.771 nan 8.210 nan 0.000 0.433 261 S N 2.164 117.537 115.700 -0.545 0.000 2.724 261 S HA 0.529 4.999 4.470 -0.001 0.000 0.278 261 S C -0.568 173.640 174.600 -0.654 0.000 1.190 261 S CA -0.333 57.438 58.200 -0.714 0.000 0.860 261 S CB 0.804 63.890 63.200 -0.189 0.000 1.206 261 S HN 1.052 nan 8.310 nan 0.000 0.507 262 S N 0.960 116.407 115.700 -0.423 0.000 2.601 262 S HA 0.473 4.943 4.470 -0.001 0.000 0.271 262 S C -0.084 174.551 174.600 0.059 0.000 1.305 262 S CA -0.580 57.623 58.200 0.005 0.000 1.022 262 S CB 0.553 63.903 63.200 0.249 0.000 0.940 262 S HN 0.752 nan 8.310 nan 0.000 0.525 263 Q N 1.583 121.430 119.800 0.078 0.000 2.286 263 Q HA 0.069 4.409 4.340 -0.001 0.000 0.290 263 Q C -0.314 175.723 176.000 0.063 0.000 1.049 263 Q CA 0.421 56.252 55.803 0.047 0.000 0.923 263 Q CB 0.452 29.207 28.738 0.028 0.000 1.183 263 Q HN 0.817 nan 8.270 nan 0.000 0.383 264 S N 3.096 118.826 115.700 0.050 0.000 2.945 264 S HA 0.128 4.598 4.470 -0.001 0.000 0.344 264 S C 0.835 175.471 174.600 0.060 0.000 1.066 264 S CA 0.667 58.901 58.200 0.056 0.000 1.721 264 S CB -0.931 62.286 63.200 0.029 0.000 1.330 264 S HN 0.820 nan 8.310 nan 0.000 0.623 265 G N 1.859 110.722 108.800 0.105 0.000 2.248 265 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.263 265 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.263 265 G C 0.590 175.500 174.900 0.016 0.000 1.082 265 G CA 0.085 45.232 45.100 0.079 0.000 0.863 265 G HN 0.897 nan 8.290 nan 0.000 0.495 266 A N -1.206 121.602 122.820 -0.019 0.000 1.924 266 A HA 0.766 5.086 4.320 -0.001 0.000 0.211 266 A C 1.313 178.830 177.584 -0.113 0.000 1.198 266 A CA 1.880 53.883 52.037 -0.055 0.000 0.657 266 A CB 0.491 19.466 19.000 -0.042 0.000 0.852 266 A HN 1.503 nan 8.150 nan 0.000 0.454 267 S N -2.511 113.061 115.700 -0.215 0.000 2.547 267 S HA 0.346 4.816 4.470 -0.001 0.000 0.270 267 S C 0.196 174.511 174.600 -0.476 0.000 1.150 267 S CA -0.313 57.729 58.200 -0.263 0.000 0.850 267 S CB 1.305 64.367 63.200 -0.229 0.000 1.118 267 S HN 0.464 nan 8.310 nan 0.000 0.461 268 N N 0.811 119.366 118.700 -0.243 0.000 2.508 268 N HA 0.008 4.748 4.740 -0.001 0.000 0.186 268 N C -0.020 175.514 175.510 0.040 0.000 1.034 268 N CA 0.296 53.315 53.050 -0.052 0.000 0.885 268 N CB 0.063 38.605 38.487 0.092 0.000 1.135 268 N HN 0.525 nan 8.380 nan 0.000 0.435 269 D N 0.643 121.039 120.400 -0.008 0.000 2.363 269 D HA 0.012 4.652 4.640 -0.001 0.000 0.226 269 D C 0.008 176.310 176.300 0.003 0.000 1.020 269 D CA 0.620 54.646 54.000 0.045 0.000 0.892 269 D CB -0.250 40.593 40.800 0.070 0.000 0.900 269 D HN 0.463 nan 8.370 nan 0.000 0.531 270 N N -0.586 118.074 118.700 -0.066 0.000 2.200 270 N HA -0.003 4.736 4.740 -0.001 0.000 0.224 270 N C -0.020 175.526 175.510 0.060 0.000 1.179 270 N CA -0.373 52.642 53.050 -0.060 0.000 0.877 270 N CB 0.709 39.108 38.487 -0.145 0.000 1.072 270 N HN 0.059 nan 8.380 nan 0.000 0.519 271 H N 1.311 120.466 119.070 0.141 0.000 2.928 271 H HA 0.027 4.582 4.556 -0.001 0.000 0.338 271 H C -0.469 175.042 175.328 0.306 0.000 1.047 271 H CA 0.650 56.819 56.048 0.201 0.000 1.435 271 H CB 0.176 30.002 29.762 0.108 0.000 1.428 271 H HN 0.290 nan 8.280 nan 0.000 0.590 272 Y N 1.385 121.808 120.300 0.205 0.000 2.656 272 Y HA 0.512 5.062 4.550 -0.001 0.000 0.334 272 Y C -2.159 173.859 175.900 0.198 0.000 1.179 272 Y CA -1.377 56.816 58.100 0.156 0.000 1.050 272 Y CB 1.514 40.022 38.460 0.080 0.000 1.308 272 Y HN 0.383 nan 8.280 nan 0.000 0.456 273 F N 1.149 121.029 119.950 -0.116 0.000 2.596 273 F HA 0.842 5.369 4.527 -0.001 0.000 0.311 273 F C -0.352 175.357 175.800 -0.150 0.000 1.116 273 F CA 0.001 57.845 58.000 -0.261 0.000 0.957 273 F CB 2.086 40.983 39.000 -0.172 0.000 1.250 273 F HN 1.076 nan 8.300 nan 0.000 0.444 274 G N 2.812 111.045 108.800 -0.945 0.000 2.500 274 G HA2 0.451 4.410 3.960 -0.001 0.000 0.299 274 G HA3 0.451 4.410 3.960 -0.001 0.000 0.299 274 G C -2.439 171.802 174.900 -1.099 0.000 1.242 274 G CA -0.599 44.082 45.100 -0.698 0.000 0.859 274 G HN 0.552 nan 8.290 nan 0.000 0.481 275 Y N -0.891 119.020 120.300 -0.647 0.000 2.581 275 Y HA 0.755 5.305 4.550 -0.001 0.000 0.345 275 Y C 0.144 175.831 175.900 -0.354 0.000 1.036 275 Y CA -0.768 57.074 58.100 -0.431 0.000 1.042 275 Y CB 2.658 41.010 38.460 -0.181 0.000 1.289 275 Y HN 0.557 nan 8.280 nan 0.000 0.471 276 S N 1.098 116.829 115.700 0.053 0.000 2.552 276 S HA 0.595 5.065 4.470 -0.001 0.000 0.314 276 S C -0.714 173.933 174.600 0.078 0.000 1.099 276 S CA -0.572 57.637 58.200 0.016 0.000 1.070 276 S CB 0.322 63.516 63.200 -0.009 0.000 0.998 276 S HN 0.701 nan 8.310 nan 0.000 0.474 277 T N 2.341 116.929 114.554 0.057 0.000 2.945 277 T HA 0.601 4.950 4.350 -0.001 0.000 0.286 277 T C -2.534 172.143 174.700 -0.037 0.000 1.025 277 T CA -2.098 59.953 62.100 -0.081 0.000 1.039 277 T CB 1.401 70.420 68.868 0.253 0.000 1.068 277 T HN 0.296 nan 8.240 nan 0.000 0.497 278 P HA 0.194 nan 4.420 nan 0.000 0.249 278 P C -0.861 176.431 177.300 -0.013 0.000 1.241 278 P CA -0.117 62.953 63.100 -0.049 0.000 0.781 278 P CB -0.178 31.447 31.700 -0.126 0.000 1.088 279 W N 0.421 121.730 121.300 0.014 0.000 2.438 279 W HA 0.570 5.229 4.660 -0.001 0.000 0.324 279 W C 1.041 177.579 176.519 0.032 0.000 1.119 279 W CA -0.082 57.291 57.345 0.046 0.000 1.221 279 W CB 0.985 30.468 29.460 0.038 0.000 1.253 279 W HN -0.157 nan 8.180 nan 0.000 0.555 280 G N 1.125 110.054 108.800 0.215 0.000 2.557 280 G HA2 0.697 4.656 3.960 -0.001 0.000 0.302 280 G HA3 0.697 4.656 3.960 -0.001 0.000 0.302 280 G C -1.867 173.081 174.900 0.080 0.000 1.311 280 G CA -0.622 44.508 45.100 0.049 0.000 1.030 280 G HN 0.600 nan 8.290 nan 0.000 0.509 281 Y N -3.090 117.076 120.300 -0.224 0.000 2.641 281 Y HA 0.683 5.233 4.550 -0.001 0.000 0.333 281 Y C -1.829 173.892 175.900 -0.298 0.000 1.174 281 Y CA -2.087 55.865 58.100 -0.247 0.000 1.057 281 Y CB 0.949 39.280 38.460 -0.215 0.000 1.322 281 Y HN 0.389 nan 8.280 nan 0.000 0.457 282 F N 1.955 121.898 119.950 -0.013 0.000 2.404 282 F HA 0.502 5.028 4.527 -0.001 0.000 0.339 282 F C -0.166 175.676 175.800 0.068 0.000 1.105 282 F CA 0.003 58.032 58.000 0.048 0.000 1.087 282 F CB 1.437 40.536 39.000 0.166 0.000 1.143 282 F HN 0.586 nan 8.300 nan 0.000 0.491 283 D N 2.682 123.212 120.400 0.216 0.000 2.780 283 D HA 0.429 5.069 4.640 -0.001 0.000 0.242 283 D C -0.871 175.496 176.300 0.112 0.000 1.135 283 D CA -0.501 53.517 54.000 0.030 0.000 0.859 283 D CB 1.156 41.979 40.800 0.039 0.000 1.530 283 D HN 0.293 nan 8.370 nan 0.000 0.493 284 F N 1.056 121.101 119.950 0.159 0.000 2.608 284 F HA 0.390 4.917 4.527 -0.001 0.000 0.383 284 F C 0.247 176.126 175.800 0.132 0.000 1.371 284 F CA -0.824 57.255 58.000 0.132 0.000 1.123 284 F CB -0.920 38.235 39.000 0.258 0.000 1.207 284 F HN 0.274 nan 8.300 nan 0.000 0.512 285 N N 1.313 119.856 118.700 -0.263 0.000 2.375 285 N HA 0.180 4.920 4.740 -0.001 0.000 0.220 285 N C -0.195 175.108 175.510 -0.344 0.000 1.170 285 N CA -0.095 52.563 53.050 -0.652 0.000 0.833 285 N CB 0.257 38.159 38.487 -0.975 0.000 1.069 285 N HN 0.349 nan 8.380 nan 0.000 0.479 286 R N -0.541 119.857 120.500 -0.169 0.000 2.637 286 R HA 0.222 4.562 4.340 -0.001 0.000 0.291 286 R C 0.075 176.305 176.300 -0.117 0.000 0.963 286 R CA -0.643 55.319 56.100 -0.230 0.000 0.901 286 R CB 0.958 30.972 30.300 -0.476 0.000 1.160 286 R HN 0.121 nan 8.270 nan 0.000 0.457 287 F N 0.905 120.872 119.950 0.028 0.000 2.171 287 F HA -0.168 4.358 4.527 -0.001 0.000 0.300 287 F C 2.253 178.154 175.800 0.169 0.000 1.090 287 F CA 1.619 59.750 58.000 0.218 0.000 1.293 287 F CB -0.065 38.913 39.000 -0.037 0.000 1.013 287 F HN 0.714 nan 8.300 nan 0.000 0.486 288 H N -2.945 116.245 119.070 0.200 0.000 2.563 288 H HA -0.011 4.545 4.556 -0.001 0.000 0.272 288 H C 1.680 177.051 175.328 0.071 0.000 1.005 288 H CA 0.407 56.519 56.048 0.107 0.000 1.171 288 H CB -1.452 28.335 29.762 0.042 0.000 1.351 288 H HN 0.236 nan 8.280 nan 0.000 0.602 289 C N 0.542 119.792 119.300 -0.084 0.000 2.448 289 C HA -0.002 4.457 4.460 -0.001 0.000 0.280 289 C C 1.732 176.480 174.990 -0.404 0.000 1.398 289 C CA 0.849 59.704 59.018 -0.272 0.000 1.774 289 C CB -0.634 26.803 27.740 -0.505 0.000 1.888 289 C HN 0.800 nan 8.230 nan 0.000 0.519 290 H N -2.923 116.246 119.070 0.164 0.000 2.545 290 H HA 0.225 4.780 4.556 -0.001 0.000 0.251 290 H C -0.040 175.214 175.328 -0.124 0.000 0.934 290 H CA 0.152 56.210 56.048 0.017 0.000 1.116 290 H CB -0.111 29.681 29.762 0.051 0.000 1.439 290 H HN 0.312 nan 8.280 nan 0.000 0.445 291 F N 3.495 123.598 119.950 0.257 0.000 2.411 291 F HA 0.209 4.736 4.527 -0.001 0.000 0.355 291 F C 1.107 176.993 175.800 0.144 0.000 1.117 291 F CA -0.804 57.309 58.000 0.189 0.000 1.139 291 F CB 1.083 40.263 39.000 0.300 0.000 1.120 291 F HN -0.019 nan 8.300 nan 0.000 0.493 292 S N 3.943 119.798 115.700 0.258 0.000 2.584 292 S HA 0.218 4.688 4.470 -0.001 0.000 0.270 292 S C -1.860 172.845 174.600 0.175 0.000 1.346 292 S CA -1.013 57.298 58.200 0.184 0.000 1.018 292 S CB 1.216 64.504 63.200 0.147 0.000 0.899 292 S HN 0.360 nan 8.310 nan 0.000 0.542 293 P HA -0.143 nan 4.420 nan 0.000 0.215 293 P C 1.736 179.022 177.300 -0.024 0.000 1.157 293 P CA 1.215 64.216 63.100 -0.165 0.000 0.874 293 P CB -0.058 31.405 31.700 -0.395 0.000 0.790 294 R N 0.400 120.931 120.500 0.051 0.000 2.103 294 R HA -0.164 4.176 4.340 -0.001 0.000 0.242 294 R C 1.775 178.151 176.300 0.127 0.000 1.142 294 R CA 2.000 58.148 56.100 0.079 0.000 0.960 294 R CB -1.658 28.702 30.300 0.101 0.000 0.858 294 R HN 0.120 nan 8.270 nan 0.000 0.439 295 D N -0.614 119.935 120.400 0.248 0.000 2.097 295 D HA -0.220 4.419 4.640 -0.001 0.000 0.195 295 D C 1.654 178.179 176.300 0.375 0.000 0.989 295 D CA 1.204 55.473 54.000 0.447 0.000 0.827 295 D CB -0.613 40.515 40.800 0.548 0.000 0.966 295 D HN 0.374 nan 8.370 nan 0.000 0.456 296 W N 2.041 123.372 121.300 0.051 0.000 2.325 296 W HA -0.241 4.419 4.660 -0.001 0.000 0.299 296 W C 2.154 178.521 176.519 -0.254 0.000 1.215 296 W CA 1.446 58.661 57.345 -0.217 0.000 1.244 296 W CB -0.094 29.194 29.460 -0.287 0.000 1.140 296 W HN 0.114 nan 8.180 nan 0.000 0.523 297 Q N 0.321 120.071 119.800 -0.083 0.000 2.084 297 Q HA -0.217 4.123 4.340 -0.001 0.000 0.202 297 Q C 2.387 178.255 176.000 -0.221 0.000 0.978 297 Q CA 1.826 57.516 55.803 -0.189 0.000 0.844 297 Q CB -0.198 28.498 28.738 -0.070 0.000 0.898 297 Q HN 0.266 nan 8.270 nan 0.000 0.426 298 R N 0.161 120.544 120.500 -0.194 0.000 2.081 298 R HA -0.125 4.215 4.340 -0.001 0.000 0.235 298 R C 2.479 178.562 176.300 -0.362 0.000 1.131 298 R CA 1.345 57.225 56.100 -0.367 0.000 0.960 298 R CB -0.482 29.414 30.300 -0.673 0.000 0.856 298 R HN 0.330 nan 8.270 nan 0.000 0.436 299 L N 0.786 121.884 121.223 -0.208 0.000 1.976 299 L HA -0.190 4.150 4.340 -0.001 0.000 0.209 299 L C 2.146 178.800 176.870 -0.361 0.000 1.071 299 L CA 1.278 55.986 54.840 -0.221 0.000 0.746 299 L CB -0.197 41.562 42.059 -0.500 0.000 0.890 299 L HN 0.134 nan 8.230 nan 0.000 0.432 300 I N 0.628 120.865 120.570 -0.555 0.000 2.208 300 I HA -0.300 3.870 4.170 -0.001 0.000 0.245 300 I C 1.796 177.780 176.117 -0.221 0.000 1.097 300 I CA 1.461 62.479 61.300 -0.469 0.000 1.363 300 I CB -1.564 36.056 38.000 -0.632 0.000 1.051 300 I HN 0.434 nan 8.210 nan 0.000 0.413 301 N N 0.936 119.507 118.700 -0.216 0.000 2.398 301 N HA -0.025 4.714 4.740 -0.001 0.000 0.188 301 N C 0.873 176.349 175.510 -0.057 0.000 1.122 301 N CA 0.353 53.340 53.050 -0.104 0.000 0.866 301 N CB -0.026 38.392 38.487 -0.115 0.000 0.970 301 N HN 0.452 nan 8.380 nan 0.000 0.462 302 N N -0.234 118.421 118.700 -0.075 0.000 2.113 302 N HA 0.094 4.834 4.740 -0.001 0.000 0.223 302 N C -0.797 174.685 175.510 -0.046 0.000 1.310 302 N CA -0.052 52.949 53.050 -0.083 0.000 0.896 302 N CB 0.916 39.311 38.487 -0.154 0.000 1.097 302 N HN 0.111 nan 8.380 nan 0.000 0.507 303 N N -0.220 118.512 118.700 0.053 0.000 2.346 303 N HA 0.146 4.886 4.740 -0.001 0.000 0.289 303 N C 0.277 175.998 175.510 0.352 0.000 1.027 303 N CA -0.434 52.692 53.050 0.128 0.000 0.864 303 N CB 1.681 40.250 38.487 0.138 0.000 1.370 303 N HN 0.119 nan 8.380 nan 0.000 0.481 304 W N 1.997 123.285 121.300 -0.020 0.000 2.341 304 W HA -0.130 4.529 4.660 -0.001 0.000 0.283 304 W C 1.091 177.644 176.519 0.055 0.000 1.215 304 W CA 0.229 57.548 57.345 -0.044 0.000 1.211 304 W CB 0.396 29.743 29.460 -0.190 0.000 1.131 304 W HN 0.615 nan 8.180 nan 0.000 0.552 305 G N -1.610 107.381 108.800 0.318 0.000 2.430 305 G HA2 0.433 4.392 3.960 -0.001 0.000 0.300 305 G HA3 0.433 4.392 3.960 -0.001 0.000 0.300 305 G C -1.780 173.473 174.900 0.589 0.000 1.330 305 G CA -0.572 44.743 45.100 0.359 0.000 0.813 305 G HN 0.129 nan 8.290 nan 0.000 0.487 306 F N -1.409 118.962 119.950 0.701 0.000 2.807 306 F HA 0.930 5.457 4.527 -0.001 0.000 0.316 306 F C -0.889 175.310 175.800 0.665 0.000 1.162 306 F CA -1.136 57.311 58.000 0.745 0.000 0.910 306 F CB 1.436 40.677 39.000 0.403 0.000 1.314 306 F HN 0.997 nan 8.300 nan 0.000 0.454 307 R N -0.035 120.789 120.500 0.540 0.000 2.728 307 R HA 0.724 5.064 4.340 -0.001 0.000 0.274 307 R C -3.642 172.627 176.300 -0.052 0.000 1.032 307 R CA -1.854 54.206 56.100 -0.066 0.000 0.866 307 R CB 1.743 31.720 30.300 -0.537 0.000 1.263 307 R HN 0.396 nan 8.270 nan 0.000 0.475 308 P HA 0.355 nan 4.420 nan 0.000 0.279 308 P C -0.766 176.026 177.300 -0.847 0.000 1.252 308 P CA -0.596 61.769 63.100 -1.225 0.000 0.811 308 P CB 1.219 31.592 31.700 -2.212 0.000 1.035 309 K N 0.537 120.537 120.400 -0.667 0.000 2.524 309 K HA 0.288 4.608 4.320 -0.001 0.000 0.210 309 K C 0.380 176.966 176.600 -0.022 0.000 1.340 309 K CA 0.806 56.938 56.287 -0.258 0.000 0.880 309 K CB 0.287 32.671 32.500 -0.194 0.000 1.616 309 K HN 0.360 nan 8.250 nan 0.000 0.457 310 K N 0.221 120.580 120.400 -0.068 0.000 2.378 310 K HA 0.566 4.886 4.320 -0.001 0.000 0.244 310 K C -1.342 175.290 176.600 0.053 0.000 1.039 310 K CA -0.954 55.323 56.287 -0.017 0.000 0.863 310 K CB 1.984 34.417 32.500 -0.110 0.000 1.326 310 K HN -0.071 nan 8.250 nan 0.000 0.460 311 L N -0.289 120.937 121.223 0.005 0.000 2.565 311 L HA 0.394 4.734 4.340 -0.001 0.000 0.261 311 L C -1.851 174.986 176.870 -0.055 0.000 0.932 311 L CA 0.028 54.883 54.840 0.025 0.000 0.878 311 L CB 2.421 44.564 42.059 0.139 0.000 1.333 311 L HN 0.513 nan 8.230 nan 0.000 0.409 312 S N 4.501 120.177 115.700 -0.041 0.000 2.605 312 S HA 0.653 5.122 4.470 -0.001 0.000 0.308 312 S C -1.244 173.394 174.600 0.064 0.000 1.113 312 S CA -0.287 57.889 58.200 -0.040 0.000 1.049 312 S CB 1.009 64.151 63.200 -0.097 0.000 1.001 312 S HN 0.496 nan 8.310 nan 0.000 0.480 313 F N 3.419 123.377 119.950 0.014 0.000 2.469 313 F HA 0.686 5.213 4.527 -0.001 0.000 0.332 313 F C -0.276 175.594 175.800 0.117 0.000 1.103 313 F CA -0.487 57.572 58.000 0.098 0.000 0.979 313 F CB 0.981 40.169 39.000 0.314 0.000 1.137 313 F HN 0.416 nan 8.300 nan 0.000 0.463 314 K N 7.290 127.316 120.400 -0.623 0.000 2.535 314 K HA 0.533 4.852 4.320 -0.001 0.000 0.251 314 K C -2.179 174.302 176.600 -0.199 0.000 0.942 314 K CA -0.607 55.546 56.287 -0.224 0.000 0.798 314 K CB 1.576 34.041 32.500 -0.057 0.000 1.267 314 K HN 0.773 nan 8.250 nan 0.000 0.434 315 L N 5.875 127.165 121.223 0.112 0.000 2.346 315 L HA 0.698 5.038 4.340 -0.001 0.000 0.276 315 L C -0.742 176.384 176.870 0.426 0.000 1.006 315 L CA -0.874 54.053 54.840 0.145 0.000 0.817 315 L CB 0.986 43.118 42.059 0.122 0.000 1.272 315 L HN 0.704 nan 8.230 nan 0.000 0.421 316 F N -0.634 119.420 119.950 0.173 0.000 2.877 316 F HA 0.367 4.894 4.527 -0.001 0.000 0.319 316 F C -0.162 175.707 175.800 0.116 0.000 1.174 316 F CA -1.470 56.608 58.000 0.129 0.000 0.903 316 F CB 1.076 40.118 39.000 0.070 0.000 1.357 316 F HN 0.483 nan 8.300 nan 0.000 0.472 317 N N 0.580 119.435 118.700 0.258 0.000 2.705 317 N HA -0.200 4.539 4.740 -0.001 0.000 0.255 317 N C -1.104 174.389 175.510 -0.027 0.000 1.008 317 N CA 0.519 53.631 53.050 0.104 0.000 0.742 317 N CB -1.069 37.484 38.487 0.110 0.000 0.906 317 N HN 0.487 nan 8.380 nan 0.000 0.541 318 I N 0.902 121.490 120.570 0.029 0.000 2.474 318 I HA 0.094 4.263 4.170 -0.001 0.000 0.287 318 I C 0.491 176.574 176.117 -0.057 0.000 1.048 318 I CA 0.118 61.415 61.300 -0.004 0.000 1.383 318 I CB 0.894 38.970 38.000 0.126 0.000 1.412 318 I HN 0.137 nan 8.210 nan 0.000 0.531 319 Q N 5.434 125.151 119.800 -0.139 0.000 2.285 319 Q HA 0.510 4.850 4.340 -0.001 0.000 0.269 319 Q C -1.400 174.485 176.000 -0.191 0.000 1.030 319 Q CA -0.760 54.954 55.803 -0.148 0.000 0.788 319 Q CB 3.139 31.771 28.738 -0.176 0.000 1.266 319 Q HN 0.392 nan 8.270 nan 0.000 0.438 320 V N 3.335 123.157 119.914 -0.155 0.000 2.347 320 V HA 0.354 4.474 4.120 -0.001 0.000 0.280 320 V C -0.323 175.624 176.094 -0.245 0.000 1.021 320 V CA -0.633 61.552 62.300 -0.191 0.000 0.847 320 V CB 1.161 32.927 31.823 -0.095 0.000 0.990 320 V HN 0.545 nan 8.190 nan 0.000 0.444 321 K N 4.198 124.332 120.400 -0.444 0.000 2.244 321 K HA 0.563 4.883 4.320 -0.001 0.000 0.260 321 K C -0.349 176.116 176.600 -0.225 0.000 0.951 321 K CA -0.605 55.445 56.287 -0.396 0.000 0.826 321 K CB 2.524 34.640 32.500 -0.640 0.000 1.108 321 K HN 0.893 nan 8.250 nan 0.000 0.433 322 E N 0.282 120.449 120.200 -0.055 0.000 2.183 322 E HA 0.495 4.845 4.350 -0.001 0.000 0.271 322 E C -0.861 175.787 176.600 0.079 0.000 0.919 322 E CA -1.010 55.411 56.400 0.036 0.000 0.781 322 E CB 1.980 31.697 29.700 0.029 0.000 1.140 322 E HN 0.134 nan 8.360 nan 0.000 0.402 323 V N 2.326 122.306 119.914 0.111 0.000 2.815 323 V HA 0.803 4.923 4.120 -0.001 0.000 0.314 323 V C -1.041 175.088 176.094 0.060 0.000 1.064 323 V CA 0.004 62.359 62.300 0.092 0.000 0.952 323 V CB 2.113 33.996 31.823 0.101 0.000 1.020 323 V HN 1.022 nan 8.190 nan 0.000 0.439 324 T N 2.808 117.388 114.554 0.043 0.000 2.928 324 T HA 0.578 4.928 4.350 -0.001 0.000 0.296 324 T C -0.924 173.789 174.700 0.022 0.000 1.000 324 T CA -0.671 61.449 62.100 0.033 0.000 0.989 324 T CB 1.574 70.461 68.868 0.031 0.000 1.005 324 T HN 0.602 nan 8.240 nan 0.000 0.442 325 Q N 2.952 122.762 119.800 0.017 0.000 2.503 325 Q HA 0.394 4.733 4.340 -0.001 0.000 0.227 325 Q C 0.861 176.867 176.000 0.010 0.000 1.109 325 Q CA -0.484 55.325 55.803 0.010 0.000 0.922 325 Q CB 0.533 29.274 28.738 0.005 0.000 1.249 325 Q HN 0.544 nan 8.270 nan 0.000 0.530 326 N N 1.136 119.842 118.700 0.009 0.000 2.132 326 N HA -0.076 4.663 4.740 -0.001 0.000 0.187 326 N C 0.098 175.611 175.510 0.005 0.000 1.038 326 N CA 1.245 54.300 53.050 0.009 0.000 0.846 326 N CB 0.416 38.908 38.487 0.009 0.000 1.012 326 N HN 0.445 nan 8.380 nan 0.000 0.429 327 D N -1.631 118.771 120.400 0.004 0.000 3.051 327 D HA 0.227 4.867 4.640 -0.001 0.000 0.216 327 D C 1.040 177.340 176.300 -0.000 0.000 1.454 327 D CA 0.492 54.493 54.000 0.002 0.000 1.400 327 D CB -0.478 40.323 40.800 0.001 0.000 0.975 327 D HN 0.226 nan 8.370 nan 0.000 0.212 328 G N -0.192 108.607 108.800 -0.001 0.000 3.839 328 G HA2 0.262 4.222 3.960 -0.001 0.000 0.286 328 G HA3 0.262 4.222 3.960 -0.001 0.000 0.286 328 G C -0.216 174.682 174.900 -0.004 0.000 1.005 328 G CA 0.110 45.208 45.100 -0.003 0.000 0.824 328 G HN 0.240 nan 8.290 nan 0.000 0.489 329 T N 0.691 115.244 114.554 -0.002 0.000 2.881 329 T HA 0.525 4.875 4.350 -0.001 0.000 0.290 329 T C -0.324 174.376 174.700 -0.000 0.000 1.000 329 T CA -0.269 61.829 62.100 -0.002 0.000 0.978 329 T CB 1.360 70.227 68.868 -0.001 0.000 0.997 329 T HN 0.112 nan 8.240 nan 0.000 0.443 330 T N 2.221 116.774 114.554 -0.002 0.000 2.738 330 T HA 0.533 4.883 4.350 -0.001 0.000 0.298 330 T C 0.413 175.118 174.700 0.008 0.000 0.962 330 T CA -0.800 61.301 62.100 0.001 0.000 0.972 330 T CB 0.264 69.127 68.868 -0.007 0.000 0.928 330 T HN 0.714 nan 8.240 nan 0.000 0.474 331 T N 2.000 116.563 114.554 0.015 0.000 2.837 331 T HA 0.663 5.013 4.350 -0.001 0.000 0.285 331 T C 0.002 174.722 174.700 0.034 0.000 0.984 331 T CA -0.941 61.171 62.100 0.020 0.000 1.049 331 T CB 0.500 69.378 68.868 0.016 0.000 0.947 331 T HN 0.645 nan 8.240 nan 0.000 0.472 332 I N 2.171 122.765 120.570 0.041 0.000 2.406 332 I HA 0.670 4.839 4.170 -0.001 0.000 0.290 332 I C 0.162 176.302 176.117 0.039 0.000 0.999 332 I CA -1.039 60.301 61.300 0.066 0.000 1.124 332 I CB 1.553 39.618 38.000 0.109 0.000 1.289 332 I HN 0.914 nan 8.210 nan 0.000 0.441 333 A N 5.329 128.165 122.820 0.026 0.000 2.479 333 A HA 0.626 4.946 4.320 -0.001 0.000 0.296 333 A C -0.891 176.680 177.584 -0.022 0.000 1.121 333 A CA -0.818 51.221 52.037 0.003 0.000 0.743 333 A CB 1.341 20.346 19.000 0.007 0.000 1.323 333 A HN 0.636 nan 8.150 nan 0.000 0.415 334 N N 1.979 120.662 118.700 -0.028 0.000 2.497 334 N HA 0.126 4.866 4.740 -0.001 0.000 0.271 334 N C -0.980 174.509 175.510 -0.034 0.000 1.142 334 N CA 0.174 53.197 53.050 -0.044 0.000 0.965 334 N CB 0.760 39.225 38.487 -0.036 0.000 1.077 334 N HN 0.590 nan 8.380 nan 0.000 0.462 335 N N 3.419 122.091 118.700 -0.046 0.000 2.699 335 N HA 0.204 4.944 4.740 -0.001 0.000 0.232 335 N C 0.899 176.392 175.510 -0.028 0.000 1.027 335 N CA -0.286 52.747 53.050 -0.029 0.000 0.920 335 N CB 0.329 38.801 38.487 -0.025 0.000 1.148 335 N HN 0.453 nan 8.380 nan 0.000 0.509 336 L N 0.984 122.196 121.223 -0.017 0.000 2.156 336 L HA -0.066 4.273 4.340 -0.001 0.000 0.208 336 L C 1.986 178.854 176.870 -0.004 0.000 1.095 336 L CA 1.282 56.115 54.840 -0.012 0.000 0.770 336 L CB -0.455 41.600 42.059 -0.007 0.000 0.914 336 L HN 0.528 nan 8.230 nan 0.000 0.439 337 T N -4.376 110.177 114.554 -0.001 0.000 3.148 337 T HA 0.011 4.361 4.350 -0.001 0.000 0.253 337 T C 0.966 175.667 174.700 0.003 0.000 1.134 337 T CA -0.059 62.044 62.100 0.004 0.000 1.051 337 T CB 0.039 68.910 68.868 0.005 0.000 0.959 337 T HN 0.094 nan 8.240 nan 0.000 0.525 338 S N 1.946 117.644 115.700 -0.003 0.000 2.601 338 S HA 0.522 4.992 4.470 -0.001 0.000 0.271 338 S C 0.415 175.016 174.600 0.001 0.000 1.305 338 S CA -0.421 57.776 58.200 -0.006 0.000 1.022 338 S CB 0.707 63.898 63.200 -0.016 0.000 0.940 338 S HN 0.743 nan 8.310 nan 0.000 0.525 339 T N 0.221 114.775 114.554 0.000 0.000 2.905 339 T HA 0.794 5.144 4.350 -0.001 0.000 0.283 339 T C -0.570 174.137 174.700 0.011 0.000 1.031 339 T CA -0.786 61.323 62.100 0.015 0.000 1.002 339 T CB 1.326 70.205 68.868 0.019 0.000 1.200 339 T HN 0.609 nan 8.240 nan 0.000 0.560 340 V N 0.151 120.084 119.914 0.033 0.000 3.087 340 V HA 0.523 4.643 4.120 -0.001 0.000 0.306 340 V C -1.791 174.325 176.094 0.038 0.000 1.187 340 V CA -0.789 61.525 62.300 0.024 0.000 0.999 340 V CB 2.403 34.272 31.823 0.077 0.000 1.049 340 V HN 1.067 nan 8.190 nan 0.000 0.431 341 Q N 3.484 123.287 119.800 0.005 0.000 2.331 341 Q HA 0.764 5.104 4.340 -0.001 0.000 0.267 341 Q C -1.455 174.667 176.000 0.203 0.000 1.006 341 Q CA -0.636 55.234 55.803 0.112 0.000 0.818 341 Q CB 2.562 31.384 28.738 0.139 0.000 1.276 341 Q HN 0.551 nan 8.270 nan 0.000 0.450 342 V N 3.367 123.378 119.914 0.162 0.000 2.823 342 V HA 0.745 4.864 4.120 -0.001 0.000 0.312 342 V C -0.720 175.412 176.094 0.063 0.000 1.072 342 V CA -0.830 61.449 62.300 -0.036 0.000 0.937 342 V CB 1.323 32.814 31.823 -0.553 0.000 1.013 342 V HN 0.790 nan 8.190 nan 0.000 0.430 343 F N 0.327 120.127 119.950 -0.250 0.000 2.817 343 F HA 0.805 5.332 4.527 -0.001 0.000 0.317 343 F C -0.901 174.704 175.800 -0.325 0.000 1.168 343 F CA -0.687 57.188 58.000 -0.209 0.000 0.911 343 F CB 1.982 40.898 39.000 -0.139 0.000 1.337 343 F HN 0.469 nan 8.300 nan 0.000 0.464 344 T N 0.684 115.095 114.554 -0.238 0.000 2.841 344 T HA 0.286 4.636 4.350 -0.001 0.000 0.285 344 T C -1.532 172.994 174.700 -0.290 0.000 0.991 344 T CA -0.409 61.391 62.100 -0.499 0.000 0.966 344 T CB 0.906 69.368 68.868 -0.677 0.000 0.962 344 T HN 0.835 nan 8.240 nan 0.000 0.438 345 D N 3.381 123.522 120.400 -0.433 0.000 2.498 345 D HA 0.250 4.889 4.640 -0.001 0.000 0.229 345 D C 0.857 176.913 176.300 -0.405 0.000 1.188 345 D CA 0.109 53.923 54.000 -0.309 0.000 1.028 345 D CB 0.065 40.648 40.800 -0.361 0.000 1.087 345 D HN 0.428 nan 8.370 nan 0.000 0.510 346 S N 2.023 117.542 115.700 -0.303 0.000 2.501 346 S HA 0.007 4.477 4.470 -0.001 0.000 0.220 346 S C 1.250 175.564 174.600 -0.477 0.000 0.997 346 S CA 0.065 58.036 58.200 -0.382 0.000 0.919 346 S CB 0.230 63.375 63.200 -0.093 0.000 0.778 346 S HN 0.536 nan 8.310 nan 0.000 0.523 347 E N 0.293 120.329 120.200 -0.274 0.000 2.474 347 E HA 0.129 4.478 4.350 -0.001 0.000 0.195 347 E C -0.886 175.737 176.600 0.039 0.000 1.039 347 E CA -0.317 56.036 56.400 -0.078 0.000 0.881 347 E CB 0.055 29.763 29.700 0.013 0.000 0.970 347 E HN 0.538 nan 8.360 nan 0.000 0.486 348 Y N 0.513 120.829 120.300 0.027 0.000 3.078 348 Y HA -0.296 4.253 4.550 -0.001 0.000 0.202 348 Y C 1.049 176.935 175.900 -0.024 0.000 1.322 348 Y CA 0.320 58.413 58.100 -0.010 0.000 1.118 348 Y CB -2.422 36.025 38.460 -0.022 0.000 1.343 348 Y HN 0.205 nan 8.280 nan 0.000 0.499 349 Q N -0.109 119.735 119.800 0.073 0.000 2.396 349 Q HA 0.260 4.599 4.340 -0.001 0.000 0.209 349 Q C 0.374 176.293 176.000 -0.135 0.000 0.906 349 Q CA 0.183 56.016 55.803 0.051 0.000 0.927 349 Q CB 0.592 29.432 28.738 0.170 0.000 1.069 349 Q HN 0.551 nan 8.270 nan 0.000 0.523 350 L N 1.875 122.982 121.223 -0.193 0.000 2.325 350 L HA 0.382 4.722 4.340 -0.001 0.000 0.279 350 L C -2.226 174.487 176.870 -0.261 0.000 1.054 350 L CA -2.422 52.168 54.840 -0.418 0.000 0.804 350 L CB 0.961 42.749 42.059 -0.451 0.000 1.200 350 L HN -0.183 nan 8.230 nan 0.000 0.436 351 P HA -0.121 nan 4.420 nan 0.000 0.260 351 P C -1.077 176.264 177.300 0.067 0.000 1.185 351 P CA 0.165 63.217 63.100 -0.080 0.000 0.763 351 P CB -0.018 31.634 31.700 -0.080 0.000 0.776 352 Y N 4.149 124.444 120.300 -0.008 0.000 2.584 352 Y HA 0.118 4.668 4.550 -0.001 0.000 0.351 352 Y C 1.211 177.121 175.900 0.015 0.000 1.030 352 Y CA 0.287 58.394 58.100 0.011 0.000 1.332 352 Y CB 0.366 38.851 38.460 0.041 0.000 1.148 352 Y HN 0.150 nan 8.280 nan 0.000 0.528 353 V N 7.060 126.804 119.914 -0.285 0.000 3.647 353 V HA 0.128 4.248 4.120 -0.001 0.000 0.279 353 V C 0.525 176.434 176.094 -0.308 0.000 1.314 353 V CA 0.305 62.456 62.300 -0.248 0.000 1.125 353 V CB -0.609 31.020 31.823 -0.324 0.000 0.907 353 V HN 0.589 nan 8.190 nan 0.000 0.434 354 L N -0.244 120.627 121.223 -0.586 0.000 2.488 354 L HA 0.569 4.909 4.340 -0.001 0.000 0.249 354 L C 1.570 178.346 176.870 -0.157 0.000 1.151 354 L CA 0.299 54.890 54.840 -0.416 0.000 0.806 354 L CB -0.077 41.613 42.059 -0.615 0.000 1.261 354 L HN 0.283 nan 8.230 nan 0.000 0.484 355 G N 0.158 108.878 108.800 -0.134 0.000 2.225 355 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.267 355 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.267 355 G C 0.458 175.356 174.900 -0.003 0.000 1.024 355 G CA 0.523 45.582 45.100 -0.069 0.000 0.784 355 G HN 0.528 nan 8.290 nan 0.000 0.507 356 S N -0.497 115.201 115.700 -0.002 0.000 2.754 356 S HA 0.578 5.048 4.470 -0.001 0.000 0.247 356 S C 1.483 175.938 174.600 -0.242 0.000 1.031 356 S CA 0.982 59.133 58.200 -0.081 0.000 1.014 356 S CB 0.646 63.828 63.200 -0.031 0.000 0.918 356 S HN 2.145 nan 8.310 nan 0.000 0.519 357 A N 1.600 124.351 122.820 -0.114 0.000 2.816 357 A HA -0.220 4.100 4.320 -0.001 0.000 0.270 357 A C 0.421 177.949 177.584 -0.092 0.000 1.413 357 A CA 0.897 52.886 52.037 -0.079 0.000 0.866 357 A CB -2.278 16.684 19.000 -0.064 0.000 1.032 357 A HN 0.667 nan 8.150 nan 0.000 0.642 358 H N -0.119 118.954 119.070 0.004 0.000 2.767 358 H HA 0.252 4.808 4.556 -0.001 0.000 0.380 358 H C 1.010 176.362 175.328 0.039 0.000 1.409 358 H CA 0.930 56.992 56.048 0.023 0.000 1.463 358 H CB 0.290 30.076 29.762 0.040 0.000 1.514 358 H HN 0.744 nan 8.280 nan 0.000 0.619 359 Q N -1.194 118.724 119.800 0.196 0.000 2.180 359 Q HA 0.404 4.744 4.340 -0.001 0.000 0.241 359 Q C 0.540 176.597 176.000 0.096 0.000 0.970 359 Q CA -0.234 55.645 55.803 0.126 0.000 0.919 359 Q CB 1.631 30.433 28.738 0.106 0.000 1.222 359 Q HN 0.958 nan 8.270 nan 0.000 0.482 360 G N -0.419 108.427 108.800 0.077 0.000 2.138 360 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.193 360 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.193 360 G C 0.111 175.009 174.900 -0.003 0.000 0.998 360 G CA -0.347 44.787 45.100 0.056 0.000 0.668 360 G HN 0.575 nan 8.290 nan 0.000 0.516 361 C N 0.249 119.538 119.300 -0.019 0.000 2.641 361 C HA 0.613 5.072 4.460 -0.001 0.000 0.318 361 C C 1.597 176.408 174.990 -0.298 0.000 1.490 361 C CA -0.651 58.312 59.018 -0.090 0.000 2.260 361 C CB -0.016 27.705 27.740 -0.031 0.000 2.103 361 C HN 0.495 nan 8.230 nan 0.000 0.641 362 L N 2.386 123.427 121.223 -0.303 0.000 2.410 362 L HA 0.215 4.555 4.340 -0.001 0.000 0.273 362 L C -2.077 174.725 176.870 -0.114 0.000 1.152 362 L CA -1.107 53.472 54.840 -0.435 0.000 0.855 362 L CB -0.097 41.822 42.059 -0.233 0.000 1.129 362 L HN 0.386 nan 8.230 nan 0.000 0.463 363 P HA 0.023 nan 4.420 nan 0.000 0.262 363 P C -2.000 175.383 177.300 0.138 0.000 1.182 363 P CA -0.854 62.309 63.100 0.105 0.000 0.761 363 P CB 0.182 31.980 31.700 0.162 0.000 0.795 364 P HA -0.151 nan 4.420 nan 0.000 0.216 364 P C 0.212 177.514 177.300 0.004 0.000 1.150 364 P CA 1.248 64.410 63.100 0.104 0.000 0.843 364 P CB -0.021 31.622 31.700 -0.095 0.000 0.787 365 F N -0.201 119.591 119.950 -0.265 0.000 2.411 365 F HA 0.287 4.813 4.527 -0.001 0.000 0.350 365 F C -1.699 174.055 175.800 -0.077 0.000 1.114 365 F CA -3.002 54.773 58.000 -0.376 0.000 1.135 365 F CB 1.053 39.746 39.000 -0.513 0.000 1.120 365 F HN -0.111 nan 8.300 nan 0.000 0.495 366 P HA -0.149 nan 4.420 nan 0.000 0.218 366 P C 0.997 178.271 177.300 -0.044 0.000 1.148 366 P CA 1.749 64.759 63.100 -0.150 0.000 0.822 366 P CB 0.092 31.705 31.700 -0.145 0.000 0.784 367 A N -1.037 121.612 122.820 -0.286 0.000 2.119 367 A HA -0.054 4.266 4.320 -0.001 0.000 0.217 367 A C 0.656 178.349 177.584 0.182 0.000 1.153 367 A CA 0.721 52.757 52.037 -0.003 0.000 0.692 367 A CB -0.936 18.121 19.000 0.095 0.000 0.799 367 A HN 0.095 nan 8.150 nan 0.000 0.458 368 D N 0.164 120.717 120.400 0.255 0.000 2.348 368 D HA 0.378 5.018 4.640 -0.001 0.000 0.253 368 D C -0.190 176.273 176.300 0.272 0.000 1.161 368 D CA 0.141 54.300 54.000 0.263 0.000 0.876 368 D CB 1.386 42.353 40.800 0.280 0.000 1.160 368 D HN -0.020 nan 8.370 nan 0.000 0.459 369 V N 3.273 123.327 119.914 0.235 0.000 2.686 369 V HA 0.422 4.541 4.120 -0.001 0.000 0.295 369 V C 0.092 176.371 176.094 0.309 0.000 1.057 369 V CA -0.483 61.964 62.300 0.246 0.000 1.012 369 V CB 0.503 32.397 31.823 0.117 0.000 1.006 369 V HN 0.422 nan 8.190 nan 0.000 0.477 370 F N 2.532 122.572 119.950 0.149 0.000 2.593 370 F HA 0.777 5.304 4.527 -0.001 0.000 0.320 370 F C -0.457 175.424 175.800 0.134 0.000 1.060 370 F CA -1.349 56.732 58.000 0.134 0.000 0.940 370 F CB 1.940 41.026 39.000 0.143 0.000 1.268 370 F HN 0.446 nan 8.300 nan 0.000 0.475 371 M N 3.283 122.922 119.600 0.065 0.000 2.264 371 M HA 0.525 5.005 4.480 -0.001 0.000 0.352 371 M C -1.337 174.960 176.300 -0.004 0.000 1.173 371 M CA -0.850 54.426 55.300 -0.040 0.000 1.075 371 M CB 1.537 34.163 32.600 0.043 0.000 1.621 371 M HN 0.611 nan 8.290 nan 0.000 0.457 372 V N 7.368 127.205 119.914 -0.128 0.000 2.508 372 V HA 0.248 4.367 4.120 -0.001 0.000 0.281 372 V C -2.056 173.962 176.094 -0.127 0.000 1.041 372 V CA -1.267 60.925 62.300 -0.181 0.000 1.016 372 V CB 0.449 32.025 31.823 -0.411 0.000 0.984 372 V HN 0.758 nan 8.190 nan 0.000 0.478 373 P HA 0.099 nan 4.420 nan 0.000 0.269 373 P C -0.572 176.428 177.300 -0.500 0.000 1.215 373 P CA -0.141 62.709 63.100 -0.416 0.000 0.780 373 P CB 0.469 31.733 31.700 -0.726 0.000 0.898 374 Q N 1.284 120.764 119.800 -0.533 0.000 2.230 374 Q HA 0.238 4.578 4.340 -0.001 0.000 0.248 374 Q C -1.313 174.699 176.000 0.021 0.000 0.915 374 Q CA -0.703 54.709 55.803 -0.650 0.000 0.900 374 Q CB 0.494 28.482 28.738 -1.251 0.000 1.229 374 Q HN 0.377 nan 8.270 nan 0.000 0.439 375 Y N 1.469 121.769 120.300 -0.000 0.000 2.327 375 Y HA 0.581 5.131 4.550 -0.001 0.000 0.336 375 Y C -0.297 175.604 175.900 0.003 0.000 1.035 375 Y CA 0.139 58.258 58.100 0.031 0.000 1.165 375 Y CB 1.224 39.711 38.460 0.044 0.000 1.181 375 Y HN 0.639 nan 8.280 nan 0.000 0.494 376 G N 5.068 113.503 108.800 -0.607 0.000 2.696 376 G HA2 0.528 4.487 3.960 -0.001 0.000 0.295 376 G HA3 0.528 4.487 3.960 -0.001 0.000 0.295 376 G C -2.295 172.299 174.900 -0.511 0.000 1.398 376 G CA -0.823 43.992 45.100 -0.474 0.000 0.920 376 G HN 0.743 nan 8.290 nan 0.000 0.492 377 Y N -1.063 119.034 120.300 -0.338 0.000 2.615 377 Y HA 0.822 5.372 4.550 -0.001 0.000 0.341 377 Y C -1.175 174.737 175.900 0.020 0.000 1.089 377 Y CA -1.693 56.296 58.100 -0.185 0.000 1.049 377 Y CB 1.537 39.916 38.460 -0.134 0.000 1.296 377 Y HN 0.467 nan 8.280 nan 0.000 0.470 378 L N 2.006 123.363 121.223 0.223 0.000 2.334 378 L HA 0.733 5.073 4.340 -0.001 0.000 0.273 378 L C -0.221 176.859 176.870 0.350 0.000 1.013 378 L CA -0.608 54.360 54.840 0.214 0.000 0.816 378 L CB 2.405 44.585 42.059 0.202 0.000 1.278 378 L HN 0.965 nan 8.230 nan 0.000 0.431 379 T N 0.341 115.098 114.554 0.339 0.000 2.688 379 T HA 0.452 4.801 4.350 -0.001 0.000 0.249 379 T C -0.890 173.989 174.700 0.299 0.000 0.944 379 T CA -0.682 61.648 62.100 0.383 0.000 1.058 379 T CB 0.885 70.035 68.868 0.469 0.000 1.673 379 T HN 0.118 nan 8.240 nan 0.000 0.565 380 L N 2.976 124.358 121.223 0.265 0.000 2.350 380 L HA 0.578 4.917 4.340 -0.001 0.000 0.275 380 L C -0.576 176.384 176.870 0.149 0.000 1.099 380 L CA -0.364 54.587 54.840 0.185 0.000 0.808 380 L CB 0.126 42.271 42.059 0.143 0.000 1.149 380 L HN 0.910 nan 8.230 nan 0.000 0.442 381 N N 1.284 120.050 118.700 0.110 0.000 2.331 381 N HA 0.328 5.068 4.740 -0.001 0.000 0.280 381 N C -1.378 174.138 175.510 0.010 0.000 1.155 381 N CA -0.735 52.341 53.050 0.043 0.000 0.822 381 N CB 0.942 39.502 38.487 0.122 0.000 1.619 381 N HN 0.362 nan 8.380 nan 0.000 0.476 382 N N 1.099 119.760 118.700 -0.064 0.000 2.816 382 N HA 0.436 5.175 4.740 -0.001 0.000 0.236 382 N C 0.637 176.067 175.510 -0.133 0.000 1.076 382 N CA 0.987 53.996 53.050 -0.069 0.000 0.902 382 N CB 0.047 38.489 38.487 -0.076 0.000 1.149 382 N HN 1.029 nan 8.380 nan 0.000 0.506 383 G N 2.338 111.053 108.800 -0.142 0.000 2.523 383 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.271 383 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.271 383 G C 0.791 175.483 174.900 -0.347 0.000 1.146 383 G CA 0.520 45.367 45.100 -0.423 0.000 0.961 383 G HN 0.776 nan 8.290 nan 0.000 0.549 384 S N 0.259 115.714 115.700 -0.408 0.000 2.528 384 S HA 0.302 4.771 4.470 -0.001 0.000 0.219 384 S C 1.074 175.604 174.600 -0.118 0.000 0.985 384 S CA 1.301 59.442 58.200 -0.099 0.000 0.914 384 S CB 0.234 63.428 63.200 -0.011 0.000 0.776 384 S HN 0.757 nan 8.310 nan 0.000 0.526 385 Q N 0.585 120.258 119.800 -0.212 0.000 2.237 385 Q HA 0.718 5.057 4.340 -0.001 0.000 0.219 385 Q C -0.320 175.391 176.000 -0.483 0.000 0.999 385 Q CA -0.412 55.203 55.803 -0.313 0.000 0.959 385 Q CB 1.170 29.771 28.738 -0.228 0.000 1.173 385 Q HN 0.490 nan 8.270 nan 0.000 0.527 386 A N 0.366 122.778 122.820 -0.680 0.000 2.346 386 A HA 0.703 5.023 4.320 -0.001 0.000 0.313 386 A C -0.688 176.708 177.584 -0.312 0.000 1.140 386 A CA -0.605 51.022 52.037 -0.684 0.000 0.826 386 A CB 1.000 19.252 19.000 -1.247 0.000 1.332 386 A HN 0.465 nan 8.150 nan 0.000 0.457 387 V N -0.465 119.346 119.914 -0.173 0.000 3.406 387 V HA 0.531 4.650 4.120 -0.001 0.000 0.305 387 V C 1.770 177.833 176.094 -0.052 0.000 1.136 387 V CA 0.314 62.564 62.300 -0.083 0.000 1.011 387 V CB 1.251 33.059 31.823 -0.026 0.000 1.221 387 V HN 1.131 nan 8.190 nan 0.000 0.454 388 G N -0.432 108.354 108.800 -0.023 0.000 2.464 388 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.217 388 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.217 388 G C 1.155 176.067 174.900 0.020 0.000 1.138 388 G CA -0.019 45.077 45.100 -0.006 0.000 0.793 388 G HN 0.576 nan 8.290 nan 0.000 0.539 389 R N 0.903 121.422 120.500 0.031 0.000 2.363 389 R HA 0.214 4.554 4.340 -0.001 0.000 0.236 389 R C 0.085 176.435 176.300 0.083 0.000 0.966 389 R CA -0.176 55.955 56.100 0.052 0.000 1.100 389 R CB 0.195 30.527 30.300 0.054 0.000 1.125 389 R HN 0.133 nan 8.270 nan 0.000 0.514 390 S N 0.360 116.117 115.700 0.095 0.000 2.584 390 S HA 0.219 4.689 4.470 -0.001 0.000 0.273 390 S C 0.070 174.767 174.600 0.160 0.000 1.311 390 S CA -0.282 58.019 58.200 0.168 0.000 1.034 390 S CB 1.710 65.038 63.200 0.213 0.000 0.939 390 S HN 0.060 nan 8.310 nan 0.000 0.513 391 S N 2.311 118.116 115.700 0.175 0.000 2.437 391 S HA 0.517 4.987 4.470 -0.001 0.000 0.305 391 S C -0.921 173.625 174.600 -0.090 0.000 1.109 391 S CA -0.550 57.611 58.200 -0.065 0.000 1.099 391 S CB 0.479 63.568 63.200 -0.186 0.000 1.004 391 S HN 0.556 nan 8.310 nan 0.000 0.475 392 F N 4.039 123.743 119.950 -0.410 0.000 2.427 392 F HA 0.561 5.088 4.527 -0.001 0.000 0.346 392 F C -1.484 174.000 175.800 -0.526 0.000 1.120 392 F CA -1.458 56.296 58.000 -0.410 0.000 1.033 392 F CB 0.445 39.201 39.000 -0.406 0.000 1.126 392 F HN 0.520 nan 8.300 nan 0.000 0.462 393 Y N 5.527 125.533 120.300 -0.491 0.000 2.328 393 Y HA 0.402 4.951 4.550 -0.001 0.000 0.333 393 Y C -0.073 175.452 175.900 -0.625 0.000 0.958 393 Y CA -0.858 56.961 58.100 -0.468 0.000 1.167 393 Y CB 1.410 39.677 38.460 -0.321 0.000 1.151 393 Y HN 0.715 nan 8.280 nan 0.000 0.470 394 C N 5.784 124.814 119.300 -0.451 0.000 2.307 394 C HA 0.402 4.862 4.460 -0.001 0.000 0.340 394 C C 0.993 176.051 174.990 0.112 0.000 1.275 394 C CA -0.577 58.221 59.018 -0.366 0.000 1.811 394 C CB -0.804 26.666 27.740 -0.450 0.000 2.372 394 C HN 0.981 nan 8.230 nan 0.000 0.531 395 L N 4.406 125.754 121.223 0.209 0.000 2.554 395 L HA 0.149 4.489 4.340 -0.001 0.000 0.226 395 L C 2.261 179.186 176.870 0.092 0.000 1.137 395 L CA 1.259 56.085 54.840 -0.023 0.000 0.863 395 L CB -0.438 41.165 42.059 -0.761 0.000 0.985 395 L HN 0.690 nan 8.230 nan 0.000 0.451 396 E N -1.553 118.848 120.200 0.335 0.000 2.435 396 E HA -0.142 4.208 4.350 -0.001 0.000 0.195 396 E C 1.157 177.871 176.600 0.189 0.000 1.029 396 E CA 0.497 57.094 56.400 0.328 0.000 0.865 396 E CB -0.093 29.812 29.700 0.342 0.000 0.833 396 E HN 0.544 nan 8.360 nan 0.000 0.510 397 Y N -0.136 120.157 120.300 -0.011 0.000 2.495 397 Y HA 0.120 4.670 4.550 -0.001 0.000 0.293 397 Y C -0.393 175.276 175.900 -0.385 0.000 1.186 397 Y CA -0.319 57.678 58.100 -0.172 0.000 1.266 397 Y CB -0.004 38.321 38.460 -0.225 0.000 1.101 397 Y HN -0.228 nan 8.280 nan 0.000 0.517 398 F N 0.999 120.700 119.950 -0.415 0.000 2.495 398 F HA 0.433 4.959 4.527 -0.001 0.000 0.327 398 F C -2.170 173.287 175.800 -0.572 0.000 1.103 398 F CA -3.136 54.474 58.000 -0.650 0.000 0.949 398 F CB 0.902 39.169 39.000 -1.221 0.000 1.142 398 F HN -0.058 nan 8.300 nan 0.000 0.457 399 P HA 0.162 nan 4.420 nan 0.000 0.266 399 P C -1.054 176.178 177.300 -0.112 0.000 1.215 399 P CA -0.053 62.954 63.100 -0.156 0.000 0.763 399 P CB 0.569 32.201 31.700 -0.113 0.000 0.806 400 S N 1.696 117.392 115.700 -0.007 0.000 2.548 400 S HA 0.396 4.866 4.470 -0.001 0.000 0.286 400 S C -0.829 173.874 174.600 0.172 0.000 1.098 400 S CA -1.036 57.249 58.200 0.142 0.000 0.930 400 S CB 1.619 64.977 63.200 0.263 0.000 1.070 400 S HN 0.440 nan 8.310 nan 0.000 0.480 401 Q N 1.875 121.809 119.800 0.223 0.000 2.288 401 Q HA 0.392 4.731 4.340 -0.001 0.000 0.258 401 Q C -0.957 175.149 176.000 0.177 0.000 0.957 401 Q CA -0.170 55.759 55.803 0.211 0.000 0.919 401 Q CB 0.508 29.435 28.738 0.315 0.000 1.185 401 Q HN 0.720 nan 8.270 nan 0.000 0.408 402 M N 4.487 124.170 119.600 0.138 0.000 2.209 402 M HA 0.330 4.810 4.480 -0.001 0.000 0.355 402 M C -1.221 175.146 176.300 0.111 0.000 1.171 402 M CA -0.717 54.649 55.300 0.110 0.000 1.069 402 M CB 0.951 33.599 32.600 0.081 0.000 1.622 402 M HN 0.450 nan 8.290 nan 0.000 0.459 403 L N 2.848 124.135 121.223 0.107 0.000 2.362 403 L HA 0.592 4.931 4.340 -0.001 0.000 0.275 403 L C -0.136 176.786 176.870 0.088 0.000 0.998 403 L CA -0.336 54.574 54.840 0.115 0.000 0.820 403 L CB 1.701 43.852 42.059 0.154 0.000 1.270 403 L HN 0.598 nan 8.230 nan 0.000 0.415 404 R N -0.034 120.512 120.500 0.076 0.000 2.602 404 R HA 0.656 4.996 4.340 -0.001 0.000 0.237 404 R C -0.470 175.866 176.300 0.061 0.000 1.219 404 R CA -0.543 55.590 56.100 0.055 0.000 1.121 404 R CB 0.958 31.284 30.300 0.042 0.000 1.408 404 R HN 0.621 nan 8.270 nan 0.000 0.559 405 T N 0.627 115.205 114.554 0.040 0.000 2.817 405 T HA 0.339 4.689 4.350 -0.001 0.000 0.295 405 T C 0.808 175.537 174.700 0.048 0.000 0.958 405 T CA 0.983 63.105 62.100 0.038 0.000 1.157 405 T CB 0.635 69.510 68.868 0.012 0.000 0.898 405 T HN 0.772 nan 8.240 nan 0.000 0.536 406 G N 3.713 112.554 108.800 0.067 0.000 2.218 406 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.216 406 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.216 406 G C 0.210 175.160 174.900 0.084 0.000 0.994 406 G CA -0.679 44.463 45.100 0.069 0.000 0.637 406 G HN 0.600 nan 8.290 nan 0.000 0.505 407 N N 1.726 120.485 118.700 0.097 0.000 2.445 407 N HA 0.563 5.303 4.740 -0.001 0.000 0.264 407 N C 0.110 175.717 175.510 0.162 0.000 1.227 407 N CA 0.391 53.511 53.050 0.117 0.000 0.963 407 N CB 0.888 39.446 38.487 0.118 0.000 1.188 407 N HN 0.760 nan 8.380 nan 0.000 0.491 408 N N -0.676 118.133 118.700 0.182 0.000 2.934 408 N HA 0.384 5.124 4.740 -0.001 0.000 0.253 408 N C -1.879 173.805 175.510 0.290 0.000 1.466 408 N CA -0.561 52.634 53.050 0.243 0.000 0.858 408 N CB 1.294 39.909 38.487 0.213 0.000 1.459 408 N HN 0.366 nan 8.380 nan 0.000 0.532 409 F N 0.122 120.159 119.950 0.146 0.000 2.529 409 F HA 0.522 5.049 4.527 -0.001 0.000 0.320 409 F C -0.745 175.144 175.800 0.148 0.000 1.118 409 F CA -0.392 57.695 58.000 0.145 0.000 0.915 409 F CB 2.041 41.140 39.000 0.164 0.000 1.161 409 F HN 0.577 nan 8.300 nan 0.000 0.445 410 Q N 5.090 124.530 119.800 -0.600 0.000 2.377 410 Q HA 0.676 5.016 4.340 -0.001 0.000 0.271 410 Q C -2.047 173.717 176.000 -0.393 0.000 1.077 410 Q CA -0.643 54.953 55.803 -0.344 0.000 0.820 410 Q CB 2.131 30.750 28.738 -0.198 0.000 1.347 410 Q HN 0.691 nan 8.270 nan 0.000 0.444 411 F N 0.659 120.471 119.950 -0.230 0.000 2.669 411 F HA 0.581 5.108 4.527 -0.001 0.000 0.315 411 F C -1.597 174.202 175.800 -0.002 0.000 1.109 411 F CA -0.239 57.700 58.000 -0.103 0.000 1.028 411 F CB 1.490 40.531 39.000 0.067 0.000 1.287 411 F HN 0.505 nan 8.300 nan 0.000 0.452 412 S N 4.597 119.803 115.700 -0.823 0.000 2.536 412 S HA 0.609 5.078 4.470 -0.001 0.000 0.287 412 S C -2.044 172.080 174.600 -0.794 0.000 1.101 412 S CA -0.625 57.197 58.200 -0.631 0.000 0.950 412 S CB 1.994 64.989 63.200 -0.341 0.000 1.056 412 S HN 0.644 nan 8.310 nan 0.000 0.481 413 Y N 0.984 120.895 120.300 -0.650 0.000 2.524 413 Y HA 0.613 5.163 4.550 -0.001 0.000 0.347 413 Y C -1.107 174.551 175.900 -0.403 0.000 1.005 413 Y CA -0.388 57.380 58.100 -0.554 0.000 1.025 413 Y CB 1.785 39.921 38.460 -0.541 0.000 1.275 413 Y HN 0.550 nan 8.280 nan 0.000 0.460 414 T N 6.534 120.374 114.554 -1.191 0.000 2.815 414 T HA 0.409 4.759 4.350 -0.001 0.000 0.289 414 T C -0.820 173.204 174.700 -1.127 0.000 1.000 414 T CA -0.403 61.191 62.100 -0.843 0.000 0.958 414 T CB 0.093 68.674 68.868 -0.479 0.000 0.944 414 T HN 0.411 nan 8.240 nan 0.000 0.442 415 F N 2.592 122.146 119.950 -0.659 0.000 2.490 415 F HA 0.228 4.755 4.527 -0.001 0.000 0.336 415 F C 1.530 177.146 175.800 -0.306 0.000 1.178 415 F CA -0.457 57.315 58.000 -0.379 0.000 1.301 415 F CB 0.573 39.424 39.000 -0.247 0.000 1.175 415 F HN 0.568 nan 8.300 nan 0.000 0.593 416 E N -0.156 120.043 120.200 -0.001 0.000 2.359 416 E HA 0.229 4.579 4.350 -0.001 0.000 0.255 416 E C -1.316 175.261 176.600 -0.039 0.000 1.191 416 E CA -0.964 55.414 56.400 -0.037 0.000 0.952 416 E CB 0.380 30.081 29.700 0.002 0.000 1.152 416 E HN 0.358 nan 8.360 nan 0.000 0.496 417 D N 0.637 121.008 120.400 -0.048 0.000 2.342 417 D HA 0.180 4.820 4.640 -0.001 0.000 0.260 417 D C -1.135 175.138 176.300 -0.046 0.000 1.278 417 D CA 0.200 54.163 54.000 -0.062 0.000 0.910 417 D CB 0.984 41.756 40.800 -0.047 0.000 1.079 417 D HN 0.219 nan 8.370 nan 0.000 0.496 418 V N 4.421 124.292 119.914 -0.071 0.000 2.577 418 V HA 0.445 4.565 4.120 -0.001 0.000 0.303 418 V C -2.454 173.634 176.094 -0.011 0.000 1.042 418 V CA -2.384 59.917 62.300 0.001 0.000 0.872 418 V CB 2.051 33.925 31.823 0.084 0.000 0.998 418 V HN 0.325 nan 8.190 nan 0.000 0.423 419 P HA 0.078 nan 4.420 nan 0.000 0.266 419 P C -0.524 176.869 177.300 0.155 0.000 1.186 419 P CA 0.331 63.479 63.100 0.080 0.000 0.767 419 P CB 0.102 31.856 31.700 0.090 0.000 0.820 420 F N 0.821 120.869 119.950 0.164 0.000 2.595 420 F HA 0.018 4.545 4.527 -0.001 0.000 0.359 420 F C 1.786 177.667 175.800 0.135 0.000 1.147 420 F CA 0.480 58.592 58.000 0.186 0.000 1.341 420 F CB -0.055 39.030 39.000 0.143 0.000 1.104 420 F HN 0.423 nan 8.300 nan 0.000 0.603 421 H N 0.891 120.032 119.070 0.118 0.000 2.679 421 H HA 0.199 4.754 4.556 -0.001 0.000 0.369 421 H C -0.368 174.963 175.328 0.005 0.000 1.178 421 H CA -0.437 55.524 56.048 -0.145 0.000 1.419 421 H CB 0.689 30.132 29.762 -0.531 0.000 1.458 421 H HN 0.471 nan 8.280 nan 0.000 0.605 422 S N 2.421 117.554 115.700 -0.946 0.000 2.416 422 S HA 0.084 4.553 4.470 -0.001 0.000 0.302 422 S C 0.125 174.418 174.600 -0.511 0.000 1.120 422 S CA -0.402 57.416 58.200 -0.638 0.000 1.067 422 S CB 0.303 62.965 63.200 -0.897 0.000 1.057 422 S HN 0.592 nan 8.310 nan 0.000 0.518 423 S N 2.956 118.667 115.700 0.018 0.000 2.602 423 S HA 0.256 4.726 4.470 -0.001 0.000 0.246 423 S C -0.182 174.497 174.600 0.132 0.000 1.009 423 S CA -0.553 57.731 58.200 0.142 0.000 1.052 423 S CB -0.509 62.862 63.200 0.285 0.000 0.778 423 S HN 0.806 nan 8.310 nan 0.000 0.455 424 Y N -1.712 118.466 120.300 -0.203 0.000 2.638 424 Y HA 0.891 5.441 4.550 -0.001 0.000 0.339 424 Y C -0.815 174.878 175.900 -0.345 0.000 1.084 424 Y CA -1.888 56.021 58.100 -0.320 0.000 1.068 424 Y CB 0.733 38.799 38.460 -0.656 0.000 1.294 424 Y HN -0.057 nan 8.280 nan 0.000 0.480 425 A N 1.085 123.752 122.820 -0.255 0.000 2.414 425 A HA 0.540 4.860 4.320 -0.001 0.000 0.306 425 A C -1.502 175.962 177.584 -0.198 0.000 1.054 425 A CA -0.890 50.965 52.037 -0.303 0.000 0.724 425 A CB 0.682 19.589 19.000 -0.155 0.000 1.267 425 A HN 0.843 nan 8.150 nan 0.000 0.418 426 H N 1.802 120.849 119.070 -0.037 0.000 2.764 426 H HA 0.123 4.679 4.556 -0.001 0.000 0.341 426 H C 1.361 176.684 175.328 -0.008 0.000 1.072 426 H CA 1.000 57.047 56.048 -0.001 0.000 1.444 426 H CB 1.348 31.105 29.762 -0.010 0.000 1.458 426 H HN 0.783 nan 8.280 nan 0.000 0.572 427 S N 2.207 117.978 115.700 0.118 0.000 2.558 427 S HA 0.039 4.509 4.470 -0.001 0.000 0.217 427 S C 0.581 175.223 174.600 0.069 0.000 0.975 427 S CA -0.087 58.158 58.200 0.076 0.000 0.912 427 S CB 0.488 63.728 63.200 0.067 0.000 0.776 427 S HN 0.595 nan 8.310 nan 0.000 0.526 428 Q N 0.384 120.231 119.800 0.078 0.000 2.486 428 Q HA 0.661 5.001 4.340 -0.001 0.000 0.274 428 Q C -1.132 174.885 176.000 0.028 0.000 1.076 428 Q CA -0.803 55.025 55.803 0.042 0.000 0.872 428 Q CB 1.904 30.657 28.738 0.026 0.000 1.383 428 Q HN 0.264 nan 8.270 nan 0.000 0.478 429 S N -0.374 115.331 115.700 0.008 0.000 2.526 429 S HA 0.325 4.795 4.470 -0.001 0.000 0.293 429 S C 0.686 175.280 174.600 -0.009 0.000 1.092 429 S CA -0.565 57.634 58.200 -0.003 0.000 0.980 429 S CB 0.877 64.079 63.200 0.003 0.000 1.048 429 S HN 0.717 nan 8.310 nan 0.000 0.483 430 L N 2.303 123.517 121.223 -0.015 0.000 2.137 430 L HA -0.167 4.173 4.340 -0.001 0.000 0.213 430 L C 1.921 178.809 176.870 0.030 0.000 1.085 430 L CA 2.069 56.917 54.840 0.015 0.000 0.760 430 L CB -0.225 41.850 42.059 0.025 0.000 0.893 430 L HN 0.819 nan 8.230 nan 0.000 0.434 431 D N -1.631 118.772 120.400 0.005 0.000 2.355 431 D HA -0.081 4.559 4.640 -0.001 0.000 0.206 431 D C 0.882 177.176 176.300 -0.011 0.000 1.010 431 D CA 0.131 54.127 54.000 -0.008 0.000 0.875 431 D CB 0.031 40.816 40.800 -0.025 0.000 0.966 431 D HN 0.152 nan 8.370 nan 0.000 0.512 432 R N 1.171 121.669 120.500 -0.004 0.000 4.017 432 R HA 0.235 4.575 4.340 -0.001 0.000 0.272 432 R C 0.557 176.860 176.300 0.006 0.000 1.516 432 R CA -0.271 55.827 56.100 -0.003 0.000 1.519 432 R CB 0.444 30.744 30.300 0.000 0.000 1.422 432 R HN 0.199 nan 8.270 nan 0.000 0.719 433 L N 0.479 121.707 121.223 0.009 0.000 2.609 433 L HA 0.224 4.564 4.340 -0.001 0.000 0.230 433 L C 0.349 177.229 176.870 0.017 0.000 1.064 433 L CA 0.854 55.708 54.840 0.023 0.000 0.873 433 L CB 0.139 42.230 42.059 0.053 0.000 1.139 433 L HN 0.196 nan 8.230 nan 0.000 0.490 434 M N -0.874 118.726 119.600 -0.001 0.000 2.116 434 M HA 0.269 4.749 4.480 -0.001 0.000 0.235 434 M C 0.418 176.713 176.300 -0.008 0.000 1.193 434 M CA -0.371 54.922 55.300 -0.011 0.000 0.959 434 M CB -0.807 31.772 32.600 -0.036 0.000 1.313 434 M HN -0.140 nan 8.290 nan 0.000 0.530 435 N N 0.767 119.459 118.700 -0.013 0.000 2.408 435 N HA 0.301 5.040 4.740 -0.001 0.000 0.257 435 N C -2.150 173.353 175.510 -0.012 0.000 1.064 435 N CA -1.704 51.342 53.050 -0.008 0.000 0.952 435 N CB 0.704 39.188 38.487 -0.006 0.000 1.093 435 N HN 0.345 nan 8.380 nan 0.000 0.490 436 P HA -0.020 nan 4.420 nan 0.000 0.225 436 P C 0.814 178.110 177.300 -0.007 0.000 1.148 436 P CA 0.643 63.738 63.100 -0.008 0.000 0.779 436 P CB 0.488 32.186 31.700 -0.003 0.000 0.780 437 L N -2.125 119.095 121.223 -0.005 0.000 2.470 437 L HA 0.141 4.481 4.340 -0.001 0.000 0.219 437 L C 1.020 177.888 176.870 -0.003 0.000 1.071 437 L CA 0.682 55.520 54.840 -0.003 0.000 0.850 437 L CB -0.282 41.777 42.059 -0.001 0.000 1.040 437 L HN -0.126 nan 8.230 nan 0.000 0.475 438 I N -0.685 119.882 120.570 -0.006 0.000 2.607 438 I HA 0.308 4.478 4.170 -0.001 0.000 0.305 438 I C -0.527 175.579 176.117 -0.019 0.000 0.995 438 I CA -0.839 60.457 61.300 -0.006 0.000 1.148 438 I CB 1.293 39.294 38.000 0.001 0.000 1.323 438 I HN -0.062 nan 8.210 nan 0.000 0.461 439 D N 2.944 123.333 120.400 -0.019 0.000 2.253 439 D HA 0.370 5.010 4.640 -0.001 0.000 0.249 439 D C 0.189 176.450 176.300 -0.064 0.000 1.049 439 D CA -0.345 53.631 54.000 -0.040 0.000 0.929 439 D CB 0.849 41.627 40.800 -0.036 0.000 1.176 439 D HN 0.351 nan 8.370 nan 0.000 0.437 440 Q N 0.134 119.863 119.800 -0.118 0.000 2.500 440 Q HA 0.165 4.505 4.340 -0.001 0.000 0.215 440 Q C 0.133 176.034 176.000 -0.165 0.000 1.062 440 Q CA -0.218 55.455 55.803 -0.217 0.000 0.996 440 Q CB 0.464 29.042 28.738 -0.266 0.000 1.239 440 Q HN 0.692 nan 8.270 nan 0.000 0.578 441 Y N -2.014 118.251 120.300 -0.058 0.000 2.531 441 Y HA 0.433 4.983 4.550 -0.001 0.000 0.249 441 Y C -0.186 175.706 175.900 -0.014 0.000 1.168 441 Y CA -0.510 57.568 58.100 -0.037 0.000 1.226 441 Y CB 0.379 38.846 38.460 0.013 0.000 1.177 441 Y HN 0.173 nan 8.280 nan 0.000 0.527 442 L N 0.982 122.160 121.223 -0.076 0.000 2.360 442 L HA 0.430 4.770 4.340 -0.001 0.000 0.271 442 L C -1.088 175.752 176.870 -0.050 0.000 1.057 442 L CA -1.044 53.825 54.840 0.049 0.000 0.803 442 L CB 1.091 43.129 42.059 -0.036 0.000 1.207 442 L HN 0.084 nan 8.230 nan 0.000 0.445 443 Y N 0.404 120.746 120.300 0.070 0.000 2.468 443 Y HA 0.468 5.018 4.550 -0.001 0.000 0.342 443 Y C -0.411 175.576 175.900 0.145 0.000 1.021 443 Y CA -0.619 57.513 58.100 0.054 0.000 1.079 443 Y CB 1.852 40.292 38.460 -0.032 0.000 1.226 443 Y HN 0.394 nan 8.280 nan 0.000 0.460 444 Y N 0.437 120.886 120.300 0.248 0.000 2.602 444 Y HA 0.728 5.277 4.550 -0.001 0.000 0.342 444 Y C -1.632 174.479 175.900 0.351 0.000 1.029 444 Y CA -1.868 56.371 58.100 0.232 0.000 1.080 444 Y CB 1.149 39.671 38.460 0.103 0.000 1.284 444 Y HN 0.546 nan 8.280 nan 0.000 0.485 445 L N 3.256 124.731 121.223 0.420 0.000 2.257 445 L HA 0.411 4.750 4.340 -0.001 0.000 0.290 445 L C -0.034 176.916 176.870 0.133 0.000 1.044 445 L CA -0.079 54.845 54.840 0.140 0.000 0.810 445 L CB 0.587 42.701 42.059 0.091 0.000 1.193 445 L HN 1.044 nan 8.230 nan 0.000 0.425 446 N N 2.575 121.279 118.700 0.006 0.000 2.210 446 N HA 0.163 4.903 4.740 -0.001 0.000 0.203 446 N C -0.382 175.125 175.510 -0.005 0.000 1.175 446 N CA -0.658 52.453 53.050 0.102 0.000 0.894 446 N CB 0.584 39.210 38.487 0.233 0.000 1.041 446 N HN 0.335 nan 8.380 nan 0.000 0.506 447 R N 1.051 121.490 120.500 -0.101 0.000 2.476 447 R HA 0.257 4.597 4.340 -0.001 0.000 0.305 447 R C 0.074 176.289 176.300 -0.141 0.000 0.965 447 R CA -0.318 55.721 56.100 -0.101 0.000 0.867 447 R CB 1.487 31.727 30.300 -0.100 0.000 1.176 447 R HN 0.236 nan 8.270 nan 0.000 0.447 448 T N -1.544 112.956 114.554 -0.090 0.000 3.042 448 T HA -0.063 4.287 4.350 -0.001 0.000 0.245 448 T C 1.302 175.961 174.700 -0.068 0.000 1.029 448 T CA 0.492 62.541 62.100 -0.086 0.000 1.120 448 T CB 0.360 69.197 68.868 -0.051 0.000 0.917 448 T HN 0.589 nan 8.240 nan 0.000 0.467 449 Q N 1.068 120.836 119.800 -0.052 0.000 2.577 449 Q HA 0.360 4.700 4.340 -0.001 0.000 0.242 449 Q C 1.511 177.488 176.000 -0.038 0.000 0.818 449 Q CA -0.013 55.765 55.803 -0.040 0.000 0.962 449 Q CB -0.492 28.229 28.738 -0.028 0.000 1.272 449 Q HN 0.320 nan 8.270 nan 0.000 0.593 450 G N 1.740 110.520 108.800 -0.034 0.000 2.151 450 G HA2 0.272 4.232 3.960 -0.001 0.000 0.269 450 G HA3 0.272 4.232 3.960 -0.001 0.000 0.269 450 G C -0.421 174.460 174.900 -0.032 0.000 1.069 450 G CA 0.855 45.938 45.100 -0.028 0.000 1.080 450 G HN 0.370 nan 8.290 nan 0.000 0.405 451 T N 0.735 115.273 114.554 -0.026 0.000 2.551 451 T HA 0.332 4.682 4.350 -0.001 0.000 0.249 451 T C 0.672 175.361 174.700 -0.017 0.000 0.851 451 T CA -0.577 61.507 62.100 -0.025 0.000 1.149 451 T CB 0.608 69.460 68.868 -0.027 0.000 1.456 451 T HN 0.184 nan 8.240 nan 0.000 0.514 452 T N 2.855 117.400 114.554 -0.015 0.000 3.826 452 T HA 0.121 4.471 4.350 -0.001 0.000 0.239 452 T C 0.622 175.316 174.700 -0.010 0.000 1.007 452 T CA 0.149 62.243 62.100 -0.011 0.000 1.171 452 T CB -0.652 68.211 68.868 -0.009 0.000 1.153 452 T HN 0.531 nan 8.240 nan 0.000 0.854 453 S N 2.613 118.307 115.700 -0.010 0.000 3.829 453 S HA 0.349 4.819 4.470 -0.001 0.000 0.250 453 S C 1.245 175.841 174.600 -0.007 0.000 1.263 453 S CA -0.158 58.036 58.200 -0.009 0.000 0.955 453 S CB -0.643 62.551 63.200 -0.009 0.000 1.611 453 S HN 0.811 nan 8.310 nan 0.000 0.483 454 G N 2.014 110.809 108.800 -0.007 0.000 2.449 454 G HA2 0.293 4.253 3.960 -0.001 0.000 0.192 454 G HA3 0.293 4.253 3.960 -0.001 0.000 0.192 454 G C -0.223 174.674 174.900 -0.006 0.000 1.776 454 G CA -0.121 44.976 45.100 -0.006 0.000 0.699 454 G HN 0.512 nan 8.290 nan 0.000 0.745 455 T N 1.584 116.134 114.554 -0.005 0.000 2.824 455 T HA 0.475 4.825 4.350 -0.001 0.000 0.280 455 T C 0.286 174.982 174.700 -0.006 0.000 0.995 455 T CA 0.557 62.653 62.100 -0.005 0.000 1.009 455 T CB 1.252 70.117 68.868 -0.004 0.000 0.955 455 T HN 0.509 nan 8.240 nan 0.000 0.452 456 T N 3.280 117.831 114.554 -0.006 0.000 3.935 456 T HA -0.173 4.176 4.350 -0.001 0.000 0.346 456 T C 0.161 174.856 174.700 -0.008 0.000 0.758 456 T CA 0.579 62.675 62.100 -0.006 0.000 1.874 456 T CB -1.236 67.629 68.868 -0.005 0.000 1.875 456 T HN 0.617 nan 8.240 nan 0.000 0.802 457 N N 1.678 120.373 118.700 -0.009 0.000 2.851 457 N HA 0.126 4.866 4.740 -0.001 0.000 0.248 457 N C 1.423 176.926 175.510 -0.012 0.000 1.221 457 N CA -0.459 52.584 53.050 -0.011 0.000 0.847 457 N CB 1.287 39.767 38.487 -0.012 0.000 1.150 457 N HN 0.534 nan 8.380 nan 0.000 0.507 458 Q N 0.274 120.066 119.800 -0.012 0.000 2.036 458 Q HA 0.042 4.382 4.340 -0.001 0.000 0.195 458 Q C 0.327 176.317 176.000 -0.017 0.000 0.971 458 Q CA 0.842 56.637 55.803 -0.013 0.000 0.826 458 Q CB -0.071 28.660 28.738 -0.011 0.000 0.896 458 Q HN 0.337 nan 8.270 nan 0.000 0.449 459 S N -1.045 114.643 115.700 -0.020 0.000 2.596 459 S HA 0.787 5.256 4.470 -0.001 0.000 0.270 459 S C -1.019 173.562 174.600 -0.032 0.000 1.155 459 S CA -1.007 57.177 58.200 -0.027 0.000 0.827 459 S CB 3.081 66.267 63.200 -0.025 0.000 1.130 459 S HN 0.422 nan 8.310 nan 0.000 0.467 460 R N 0.214 120.685 120.500 -0.048 0.000 2.687 460 R HA 0.414 4.754 4.340 -0.001 0.000 0.265 460 R C -2.097 174.140 176.300 -0.105 0.000 1.048 460 R CA -0.768 55.297 56.100 -0.058 0.000 0.884 460 R CB 1.007 31.277 30.300 -0.050 0.000 1.258 460 R HN 0.781 nan 8.270 nan 0.000 0.469 461 L N 5.141 126.290 121.223 -0.123 0.000 2.259 461 L HA 0.451 4.790 4.340 -0.001 0.000 0.288 461 L C -0.676 175.945 176.870 -0.416 0.000 1.051 461 L CA -0.433 54.249 54.840 -0.264 0.000 0.824 461 L CB 0.849 42.815 42.059 -0.154 0.000 1.206 461 L HN 0.345 nan 8.230 nan 0.000 0.429 462 L N 3.671 124.564 121.223 -0.550 0.000 2.365 462 L HA 0.590 4.930 4.340 -0.001 0.000 0.273 462 L C -0.922 175.561 176.870 -0.645 0.000 1.000 462 L CA -0.458 54.117 54.840 -0.441 0.000 0.819 462 L CB 1.968 43.908 42.059 -0.198 0.000 1.284 462 L HN 0.303 nan 8.230 nan 0.000 0.418 463 F N 0.303 120.217 119.950 -0.060 0.000 2.520 463 F HA 0.518 5.045 4.527 -0.001 0.000 0.322 463 F C 0.319 176.070 175.800 -0.081 0.000 1.103 463 F CA -0.527 57.424 58.000 -0.082 0.000 0.926 463 F CB 2.229 41.204 39.000 -0.042 0.000 1.154 463 F HN 0.266 nan 8.300 nan 0.000 0.453 464 S N 1.568 117.161 115.700 -0.179 0.000 2.503 464 S HA 0.308 4.778 4.470 -0.001 0.000 0.301 464 S C -0.825 173.511 174.600 -0.440 0.000 1.087 464 S CA -0.802 57.227 58.200 -0.284 0.000 1.042 464 S CB 1.665 64.617 63.200 -0.413 0.000 1.043 464 S HN 0.658 nan 8.310 nan 0.000 0.489 465 Q N 2.382 121.963 119.800 -0.365 0.000 2.286 465 Q HA 0.530 4.869 4.340 -0.001 0.000 0.257 465 Q C -0.179 175.699 176.000 -0.202 0.000 0.941 465 Q CA -0.708 54.651 55.803 -0.741 0.000 0.912 465 Q CB 0.789 28.968 28.738 -0.931 0.000 1.192 465 Q HN 0.759 nan 8.270 nan 0.000 0.410 466 A N 3.163 125.959 122.820 -0.041 0.000 2.565 466 A HA 0.459 4.779 4.320 -0.001 0.000 0.237 466 A C 0.313 177.899 177.584 0.002 0.000 1.053 466 A CA 0.764 52.872 52.037 0.119 0.000 0.755 466 A CB 0.038 19.047 19.000 0.015 0.000 0.980 466 A HN 0.863 nan 8.150 nan 0.000 0.506 467 G N 1.153 109.971 108.800 0.029 0.000 2.642 467 G HA2 0.583 4.543 3.960 -0.001 0.000 0.293 467 G HA3 0.583 4.543 3.960 -0.001 0.000 0.293 467 G C -2.374 172.519 174.900 -0.011 0.000 1.341 467 G CA -1.168 43.931 45.100 -0.001 0.000 0.916 467 G HN 0.302 nan 8.290 nan 0.000 0.474 468 P HA -0.108 nan 4.420 nan 0.000 0.221 468 P C 1.578 178.870 177.300 -0.012 0.000 1.145 468 P CA 1.117 64.207 63.100 -0.017 0.000 0.795 468 P CB 0.332 32.025 31.700 -0.011 0.000 0.775 469 Q N -0.245 119.553 119.800 -0.002 0.000 1.994 469 Q HA -0.044 4.295 4.340 -0.001 0.000 0.198 469 Q C 1.333 177.333 176.000 -0.001 0.000 0.976 469 Q CA 1.560 57.365 55.803 0.003 0.000 0.828 469 Q CB -0.775 27.972 28.738 0.015 0.000 0.894 469 Q HN 0.295 nan 8.270 nan 0.000 0.432 470 S N 0.340 116.046 115.700 0.009 0.000 3.864 470 S HA 0.129 4.598 4.470 -0.001 0.000 0.202 470 S C 0.995 175.546 174.600 -0.081 0.000 1.402 470 S CA -0.204 57.985 58.200 -0.019 0.000 1.072 470 S CB -0.179 63.049 63.200 0.046 0.000 1.383 470 S HN 0.247 nan 8.310 nan 0.000 0.458 471 M N 2.110 121.673 119.600 -0.062 0.000 2.319 471 M HA -0.062 4.418 4.480 -0.001 0.000 0.265 471 M C 1.638 177.884 176.300 -0.090 0.000 1.068 471 M CA 1.355 56.614 55.300 -0.067 0.000 1.118 471 M CB -0.041 32.533 32.600 -0.043 0.000 1.395 471 M HN 0.684 nan 8.290 nan 0.000 0.435 472 S N -1.142 114.497 115.700 -0.101 0.000 2.574 472 S HA 0.260 4.730 4.470 -0.001 0.000 0.242 472 S C 0.839 175.342 174.600 -0.162 0.000 0.982 472 S CA -0.544 57.591 58.200 -0.109 0.000 0.977 472 S CB -0.159 62.993 63.200 -0.081 0.000 0.814 472 S HN 0.545 nan 8.310 nan 0.000 0.464 473 L N -0.230 120.845 121.223 -0.247 0.000 2.948 473 L HA 0.314 4.654 4.340 -0.001 0.000 0.259 473 L C 0.633 177.219 176.870 -0.474 0.000 1.136 473 L CA -0.231 54.356 54.840 -0.422 0.000 0.959 473 L CB 0.096 41.749 42.059 -0.677 0.000 1.370 473 L HN 0.264 nan 8.230 nan 0.000 0.552 474 Q N 1.353 120.964 119.800 -0.314 0.000 2.428 474 Q HA 0.277 4.616 4.340 -0.001 0.000 0.276 474 Q C 0.509 176.411 176.000 -0.164 0.000 1.059 474 Q CA -0.091 55.581 55.803 -0.217 0.000 0.923 474 Q CB 0.835 29.485 28.738 -0.146 0.000 1.283 474 Q HN 0.274 nan 8.270 nan 0.000 0.447 475 A N 2.077 124.824 122.820 -0.122 0.000 2.531 475 A HA 0.156 4.475 4.320 -0.001 0.000 0.236 475 A C 0.036 177.546 177.584 -0.124 0.000 1.062 475 A CA 0.262 52.237 52.037 -0.103 0.000 0.760 475 A CB 0.283 19.230 19.000 -0.089 0.000 0.995 475 A HN 0.604 nan 8.150 nan 0.000 0.501 476 R N 0.319 120.745 120.500 -0.123 0.000 2.892 476 R HA 0.484 4.823 4.340 -0.001 0.000 0.265 476 R C 0.347 176.509 176.300 -0.230 0.000 1.025 476 R CA -0.604 55.411 56.100 -0.142 0.000 0.982 476 R CB 1.043 31.288 30.300 -0.092 0.000 1.185 476 R HN 0.732 nan 8.270 nan 0.000 0.484 477 N N -0.455 118.023 118.700 -0.370 0.000 2.332 477 N HA 0.174 4.914 4.740 -0.001 0.000 0.190 477 N C -0.968 173.996 175.510 -0.912 0.000 1.117 477 N CA 0.346 52.926 53.050 -0.782 0.000 0.883 477 N CB 0.473 38.271 38.487 -1.149 0.000 1.089 477 N HN 0.361 nan 8.380 nan 0.000 0.480 478 W N 0.165 121.467 121.300 0.004 0.000 3.029 478 W HA 0.590 5.250 4.660 -0.001 0.000 0.339 478 W C -0.610 175.925 176.519 0.027 0.000 1.198 478 W CA -0.816 56.541 57.345 0.019 0.000 1.148 478 W CB 0.831 30.295 29.460 0.007 0.000 1.451 478 W HN -0.355 nan 8.180 nan 0.000 0.564 479 L N 1.941 123.357 121.223 0.323 0.000 2.322 479 L HA 0.625 4.965 4.340 -0.001 0.000 0.269 479 L C -2.104 174.894 176.870 0.213 0.000 1.012 479 L CA -2.806 52.164 54.840 0.217 0.000 0.815 479 L CB 0.579 42.769 42.059 0.219 0.000 1.295 479 L HN 0.048 nan 8.230 nan 0.000 0.438 480 P HA 0.223 nan 4.420 nan 0.000 0.275 480 P C -0.067 177.380 177.300 0.245 0.000 1.266 480 P CA -0.344 62.851 63.100 0.158 0.000 0.793 480 P CB 0.443 32.179 31.700 0.061 0.000 1.074 481 G N 0.593 109.538 108.800 0.241 0.000 2.683 481 G HA2 0.300 4.260 3.960 -0.001 0.000 0.260 481 G HA3 0.300 4.260 3.960 -0.001 0.000 0.260 481 G C -2.297 172.651 174.900 0.079 0.000 1.238 481 G CA -0.930 44.275 45.100 0.175 0.000 0.934 481 G HN 0.363 nan 8.290 nan 0.000 0.534 482 P HA 0.262 nan 4.420 nan 0.000 0.274 482 P C -0.042 177.199 177.300 -0.100 0.000 1.260 482 P CA -0.113 62.864 63.100 -0.204 0.000 0.793 482 P CB 0.832 32.317 31.700 -0.358 0.000 1.048 483 C N -0.807 118.422 119.300 -0.118 0.000 3.239 483 C HA 0.694 5.153 4.460 -0.001 0.000 0.317 483 C C -1.678 173.345 174.990 0.056 0.000 1.310 483 C CA -0.732 58.288 59.018 0.003 0.000 1.371 483 C CB 0.695 28.502 27.740 0.110 0.000 1.714 483 C HN 0.617 nan 8.230 nan 0.000 0.473 484 Y N 1.930 122.201 120.300 -0.049 0.000 2.484 484 Y HA 0.484 5.034 4.550 -0.001 0.000 0.348 484 Y C 0.417 176.310 175.900 -0.011 0.000 1.103 484 Y CA -0.313 57.764 58.100 -0.038 0.000 1.317 484 Y CB 0.436 38.879 38.460 -0.028 0.000 1.096 484 Y HN 1.034 nan 8.280 nan 0.000 0.568 485 R N 3.697 124.109 120.500 -0.146 0.000 2.500 485 R HA -0.000 4.339 4.340 -0.001 0.000 0.281 485 R C -0.382 175.872 176.300 -0.076 0.000 0.953 485 R CA 0.784 56.828 56.100 -0.093 0.000 1.108 485 R CB 0.502 30.731 30.300 -0.120 0.000 0.901 485 R HN 0.614 nan 8.270 nan 0.000 0.410 486 Q N 2.158 121.939 119.800 -0.032 0.000 2.241 486 Q HA 0.134 4.473 4.340 -0.001 0.000 0.262 486 Q C -0.709 175.250 176.000 -0.068 0.000 1.014 486 Q CA -0.856 54.914 55.803 -0.054 0.000 0.885 486 Q CB 1.623 30.315 28.738 -0.076 0.000 1.311 486 Q HN 0.504 nan 8.270 nan 0.000 0.461 487 Q N 1.138 120.894 119.800 -0.074 0.000 2.340 487 Q HA 0.152 4.491 4.340 -0.001 0.000 0.249 487 Q C -0.816 175.149 176.000 -0.058 0.000 0.957 487 Q CA 0.160 55.944 55.803 -0.031 0.000 0.882 487 Q CB 0.764 29.541 28.738 0.065 0.000 1.235 487 Q HN 0.380 nan 8.270 nan 0.000 0.439 488 R N 3.008 123.482 120.500 -0.043 0.000 2.308 488 R HA 0.445 4.784 4.340 -0.001 0.000 0.305 488 R C -1.186 175.097 176.300 -0.029 0.000 1.053 488 R CA -0.447 55.618 56.100 -0.058 0.000 0.957 488 R CB 0.355 30.598 30.300 -0.096 0.000 1.022 488 R HN 0.526 nan 8.270 nan 0.000 0.461 489 L N 1.781 122.892 121.223 -0.186 0.000 2.341 489 L HA 0.433 4.773 4.340 -0.001 0.000 0.267 489 L C -0.248 176.517 176.870 -0.176 0.000 1.009 489 L CA -0.182 54.487 54.840 -0.285 0.000 0.819 489 L CB 2.019 43.578 42.059 -0.834 0.000 1.323 489 L HN 0.574 nan 8.230 nan 0.000 0.425 490 S N 0.101 115.767 115.700 -0.056 0.000 2.537 490 S HA 0.455 4.924 4.470 -0.001 0.000 0.301 490 S C 0.745 175.344 174.600 -0.001 0.000 1.092 490 S CA -0.570 57.522 58.200 -0.181 0.000 1.048 490 S CB 1.105 64.139 63.200 -0.277 0.000 1.053 490 S HN 0.641 nan 8.310 nan 0.000 0.501 491 K N 1.113 121.518 120.400 0.008 0.000 2.296 491 K HA 0.031 4.351 4.320 -0.001 0.000 0.200 491 K C 0.196 176.803 176.600 0.012 0.000 1.048 491 K CA 0.732 57.070 56.287 0.086 0.000 0.966 491 K CB -0.204 32.316 32.500 0.033 0.000 0.754 491 K HN 0.541 nan 8.250 nan 0.000 0.466 492 T N 1.751 116.277 114.554 -0.048 0.000 2.727 492 T HA 0.215 4.565 4.350 -0.001 0.000 0.295 492 T C 0.495 175.195 174.700 -0.000 0.000 0.915 492 T CA -0.366 61.714 62.100 -0.033 0.000 1.066 492 T CB 1.296 70.129 68.868 -0.060 0.000 0.891 492 T HN 0.118 nan 8.240 nan 0.000 0.516 493 A N 3.938 126.769 122.820 0.018 0.000 2.190 493 A HA 0.068 4.388 4.320 -0.001 0.000 0.226 493 A C 1.517 179.123 177.584 0.036 0.000 1.402 493 A CA -0.086 51.974 52.037 0.037 0.000 1.288 493 A CB -0.800 18.221 19.000 0.035 0.000 0.833 493 A HN 0.956 nan 8.150 nan 0.000 0.564 494 N N -2.553 116.165 118.700 0.030 0.000 1.952 494 N HA -0.033 4.706 4.740 -0.001 0.000 0.228 494 N C -0.516 175.015 175.510 0.036 0.000 1.398 494 N CA 0.180 53.248 53.050 0.031 0.000 0.817 494 N CB 0.112 38.610 38.487 0.019 0.000 1.101 494 N HN 0.142 nan 8.380 nan 0.000 0.498 495 D N 0.853 121.277 120.400 0.041 0.000 2.323 495 D HA 0.092 4.732 4.640 -0.001 0.000 0.209 495 D C 0.097 176.447 176.300 0.083 0.000 0.973 495 D CA 0.538 54.578 54.000 0.066 0.000 0.874 495 D CB 0.051 40.898 40.800 0.078 0.000 0.930 495 D HN 0.250 nan 8.370 nan 0.000 0.521 496 N N 1.058 119.810 118.700 0.087 0.000 2.463 496 N HA 0.033 4.773 4.740 -0.001 0.000 0.270 496 N C 0.069 175.615 175.510 0.060 0.000 1.205 496 N CA -0.333 52.781 53.050 0.107 0.000 0.974 496 N CB 0.442 39.041 38.487 0.185 0.000 1.197 496 N HN -0.001 nan 8.380 nan 0.000 0.504 497 N N 0.753 119.451 118.700 -0.003 0.000 2.492 497 N HA -0.099 4.641 4.740 -0.001 0.000 0.262 497 N C -0.166 175.364 175.510 0.033 0.000 1.202 497 N CA 0.278 53.290 53.050 -0.063 0.000 0.926 497 N CB 0.140 38.471 38.487 -0.261 0.000 1.078 497 N HN 0.472 nan 8.380 nan 0.000 0.454 498 N N 1.637 120.351 118.700 0.024 0.000 3.210 498 N HA -0.023 4.716 4.740 -0.001 0.000 0.314 498 N C -0.846 174.705 175.510 0.068 0.000 1.291 498 N CA -0.276 52.806 53.050 0.054 0.000 1.202 498 N CB -0.031 38.476 38.487 0.032 0.000 1.475 498 N HN 0.475 nan 8.380 nan 0.000 0.554 499 S N 0.034 115.809 115.700 0.124 0.000 2.661 499 S HA 0.294 4.763 4.470 -0.001 0.000 0.285 499 S C -0.772 174.022 174.600 0.324 0.000 1.138 499 S CA -1.076 57.222 58.200 0.164 0.000 0.855 499 S CB 1.603 64.859 63.200 0.094 0.000 1.136 499 S HN 0.240 nan 8.310 nan 0.000 0.484 500 N N 0.743 119.599 118.700 0.259 0.000 2.699 500 N HA 0.419 5.159 4.740 -0.001 0.000 0.232 500 N C -0.600 175.065 175.510 0.257 0.000 1.027 500 N CA -1.037 52.141 53.050 0.212 0.000 0.920 500 N CB -0.288 38.264 38.487 0.110 0.000 1.148 500 N HN 0.678 nan 8.380 nan 0.000 0.509 501 F N 1.157 121.148 119.950 0.069 0.000 2.791 501 F HA 0.573 5.100 4.527 -0.001 0.000 0.308 501 F C -1.841 174.023 175.800 0.105 0.000 1.138 501 F CA -1.609 56.437 58.000 0.077 0.000 1.294 501 F CB 0.665 39.688 39.000 0.039 0.000 0.975 501 F HN 0.190 nan 8.300 nan 0.000 0.512 502 P HA -0.076 nan 4.420 nan 0.000 0.242 502 P C 0.778 178.185 177.300 0.178 0.000 1.197 502 P CA 1.108 64.161 63.100 -0.077 0.000 0.765 502 P CB -0.053 31.614 31.700 -0.056 0.000 0.936 503 W N -0.284 121.021 121.300 0.009 0.000 3.792 503 W HA 0.021 4.680 4.660 -0.001 0.000 0.217 503 W C 0.910 177.463 176.519 0.057 0.000 1.098 503 W CA 0.845 58.205 57.345 0.025 0.000 1.657 503 W CB -0.117 29.343 29.460 -0.000 0.000 0.773 503 W HN -0.099 nan 8.180 nan 0.000 0.836 504 T N -0.484 114.129 114.554 0.099 0.000 3.055 504 T HA 0.223 4.573 4.350 -0.001 0.000 0.265 504 T C 1.353 176.048 174.700 -0.007 0.000 1.111 504 T CA 1.129 63.226 62.100 -0.005 0.000 1.118 504 T CB 0.043 68.987 68.868 0.126 0.000 0.909 504 T HN 0.088 nan 8.240 nan 0.000 0.501 505 A N 0.233 123.107 122.820 0.090 0.000 2.545 505 A HA 0.835 5.154 4.320 -0.001 0.000 0.263 505 A C 0.997 178.646 177.584 0.109 0.000 1.202 505 A CA -0.074 52.037 52.037 0.124 0.000 0.959 505 A CB 0.098 19.264 19.000 0.276 0.000 1.124 505 A HN 0.633 nan 8.150 nan 0.000 0.543 506 A N -0.009 122.847 122.820 0.060 0.000 2.279 506 A HA 0.671 4.990 4.320 -0.001 0.000 0.303 506 A C 0.376 177.997 177.584 0.061 0.000 1.108 506 A CA -0.244 51.856 52.037 0.106 0.000 0.830 506 A CB 0.381 19.526 19.000 0.242 0.000 1.106 506 A HN 0.239 nan 8.150 nan 0.000 0.493 507 S N 0.790 116.582 115.700 0.153 0.000 2.549 507 S HA 0.453 4.922 4.470 -0.001 0.000 0.279 507 S C 0.006 174.736 174.600 0.216 0.000 1.321 507 S CA -0.220 58.099 58.200 0.199 0.000 1.054 507 S CB 0.173 63.553 63.200 0.300 0.000 0.899 507 S HN 0.668 nan 8.310 nan 0.000 0.497 508 K N 1.141 121.646 120.400 0.175 0.000 2.571 508 K HA 0.580 4.900 4.320 -0.001 0.000 0.289 508 K C -1.611 175.075 176.600 0.144 0.000 1.028 508 K CA -1.049 55.261 56.287 0.039 0.000 0.895 508 K CB 1.158 33.525 32.500 -0.222 0.000 1.534 508 K HN 0.581 nan 8.250 nan 0.000 0.421 509 Y N -1.671 118.653 120.300 0.041 0.000 2.638 509 Y HA 0.621 5.170 4.550 -0.001 0.000 0.339 509 Y C -1.095 174.879 175.900 0.123 0.000 1.084 509 Y CA -1.062 57.074 58.100 0.059 0.000 1.068 509 Y CB 1.641 40.085 38.460 -0.028 0.000 1.294 509 Y HN 0.749 nan 8.280 nan 0.000 0.480 510 H N 1.955 121.179 119.070 0.256 0.000 2.877 510 H HA 0.550 5.105 4.556 -0.001 0.000 0.347 510 H C -2.366 173.100 175.328 0.229 0.000 1.042 510 H CA -1.050 55.090 56.048 0.153 0.000 1.276 510 H CB 1.573 31.379 29.762 0.073 0.000 1.681 510 H HN 0.880 nan 8.280 nan 0.000 0.521 511 L N 4.174 125.481 121.223 0.141 0.000 2.305 511 L HA 0.184 4.524 4.340 -0.001 0.000 0.284 511 L C 0.398 177.338 176.870 0.117 0.000 1.013 511 L CA -0.645 54.234 54.840 0.065 0.000 0.819 511 L CB 1.072 43.230 42.059 0.164 0.000 1.227 511 L HN 0.866 nan 8.230 nan 0.000 0.417 512 N N 3.172 121.922 118.700 0.083 0.000 2.758 512 N HA -0.174 4.566 4.740 -0.001 0.000 0.248 512 N C 0.640 176.266 175.510 0.194 0.000 1.076 512 N CA 1.114 54.239 53.050 0.125 0.000 0.696 512 N CB -0.767 37.782 38.487 0.103 0.000 0.979 512 N HN 1.059 nan 8.380 nan 0.000 0.550 513 G N 0.005 109.018 108.800 0.354 0.000 2.273 513 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.280 513 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.280 513 G C -0.106 174.928 174.900 0.224 0.000 1.047 513 G CA 0.595 45.875 45.100 0.300 0.000 0.869 513 G HN 0.750 nan 8.290 nan 0.000 0.502 514 R N 0.398 121.065 120.500 0.278 0.000 2.507 514 R HA 0.280 4.619 4.340 -0.001 0.000 0.298 514 R C -1.117 175.294 176.300 0.185 0.000 1.087 514 R CA -0.835 55.383 56.100 0.197 0.000 0.917 514 R CB 0.793 31.195 30.300 0.169 0.000 1.173 514 R HN 0.133 nan 8.270 nan 0.000 0.472 515 D N 1.971 122.475 120.400 0.173 0.000 2.417 515 D HA 0.097 4.736 4.640 -0.001 0.000 0.250 515 D C -0.607 175.725 176.300 0.054 0.000 1.166 515 D CA 0.807 54.874 54.000 0.112 0.000 0.881 515 D CB 1.544 42.435 40.800 0.151 0.000 1.164 515 D HN 0.334 nan 8.370 nan 0.000 0.467 516 S N 1.632 117.155 115.700 -0.295 0.000 2.521 516 S HA 0.301 4.770 4.470 -0.001 0.000 0.295 516 S C -0.377 173.953 174.600 -0.450 0.000 1.098 516 S CA -0.763 57.189 58.200 -0.412 0.000 0.999 516 S CB 1.812 64.572 63.200 -0.732 0.000 1.034 516 S HN 0.295 nan 8.310 nan 0.000 0.483 517 L N 4.055 125.187 121.223 -0.152 0.000 2.418 517 L HA 0.307 4.647 4.340 -0.001 0.000 0.274 517 L C -0.239 176.575 176.870 -0.093 0.000 1.135 517 L CA 0.179 54.943 54.840 -0.127 0.000 0.870 517 L CB 0.529 42.533 42.059 -0.091 0.000 1.154 517 L HN 0.505 nan 8.230 nan 0.000 0.462 518 V N 6.865 126.792 119.914 0.022 0.000 2.070 518 V HA -0.003 4.117 4.120 -0.001 0.000 0.239 518 V C 1.368 177.556 176.094 0.156 0.000 1.472 518 V CA 0.120 62.516 62.300 0.159 0.000 1.453 518 V CB -0.961 30.979 31.823 0.195 0.000 1.503 518 V HN 0.914 nan 8.190 nan 0.000 0.501 519 N N 5.271 123.984 118.700 0.022 0.000 2.030 519 N HA -0.026 4.713 4.740 -0.001 0.000 0.194 519 N C -1.897 173.768 175.510 0.259 0.000 1.074 519 N CA 1.073 54.148 53.050 0.042 0.000 0.860 519 N CB -0.434 38.026 38.487 -0.045 0.000 1.055 519 N HN 0.357 nan 8.380 nan 0.000 0.429 520 P HA 0.277 nan 4.420 nan 0.000 0.291 520 P C -0.455 176.921 177.300 0.127 0.000 1.340 520 P CA -0.346 62.842 63.100 0.147 0.000 0.799 520 P CB 1.218 32.984 31.700 0.110 0.000 0.917 521 G N 4.836 113.717 108.800 0.135 0.000 2.509 521 G HA2 0.417 4.377 3.960 -0.001 0.000 0.269 521 G HA3 0.417 4.377 3.960 -0.001 0.000 0.269 521 G C -2.419 172.517 174.900 0.061 0.000 1.416 521 G CA -1.673 43.477 45.100 0.085 0.000 1.052 521 G HN 0.243 nan 8.290 nan 0.000 0.542 522 P HA 0.214 nan 4.420 nan 0.000 0.269 522 P C -0.151 177.172 177.300 0.039 0.000 1.205 522 P CA 0.162 63.260 63.100 -0.004 0.000 0.780 522 P CB 0.320 31.984 31.700 -0.061 0.000 0.858 523 A N 3.474 126.321 122.820 0.045 0.000 2.496 523 A HA 0.307 4.626 4.320 -0.001 0.000 0.278 523 A C 0.113 177.741 177.584 0.074 0.000 1.137 523 A CA 0.509 52.599 52.037 0.088 0.000 0.805 523 A CB -1.036 18.045 19.000 0.134 0.000 1.077 523 A HN 0.427 nan 8.150 nan 0.000 0.513 524 M N 2.251 121.899 119.600 0.081 0.000 2.518 524 M HA 0.555 5.034 4.480 -0.001 0.000 0.300 524 M C 0.269 176.611 176.300 0.070 0.000 1.175 524 M CA -0.433 54.911 55.300 0.073 0.000 0.890 524 M CB 2.295 34.939 32.600 0.074 0.000 1.710 524 M HN 0.679 nan 8.290 nan 0.000 0.453 525 A N 1.107 123.956 122.820 0.047 0.000 2.445 525 A HA 0.328 4.648 4.320 -0.001 0.000 0.242 525 A C 0.770 178.374 177.584 0.033 0.000 1.075 525 A CA -0.170 51.878 52.037 0.018 0.000 0.777 525 A CB 0.219 19.204 19.000 -0.026 0.000 1.013 525 A HN 0.935 nan 8.150 nan 0.000 0.493 526 S N 0.456 116.177 115.700 0.035 0.000 2.395 526 S HA 0.040 4.510 4.470 -0.001 0.000 0.225 526 S C 0.678 175.401 174.600 0.205 0.000 1.027 526 S CA 1.278 59.564 58.200 0.143 0.000 0.965 526 S CB -0.259 63.084 63.200 0.240 0.000 0.812 526 S HN 0.951 nan 8.310 nan 0.000 0.482 527 H N 0.251 119.385 119.070 0.107 0.000 3.037 527 H HA 0.499 5.054 4.556 -0.001 0.000 0.355 527 H C -1.214 174.159 175.328 0.075 0.000 1.263 527 H CA -1.188 54.925 56.048 0.107 0.000 1.129 527 H CB 0.972 30.828 29.762 0.156 0.000 1.861 527 H HN 0.087 nan 8.280 nan 0.000 0.546 528 K N 0.771 121.268 120.400 0.162 0.000 2.179 528 K HA 0.225 4.544 4.320 -0.001 0.000 0.238 528 K C -0.602 176.101 176.600 0.172 0.000 1.033 528 K CA -0.776 55.563 56.287 0.086 0.000 0.926 528 K CB 0.651 33.180 32.500 0.048 0.000 1.151 528 K HN 0.327 nan 8.250 nan 0.000 0.492 529 D N 1.271 121.731 120.400 0.100 0.000 2.449 529 D HA -0.017 4.623 4.640 -0.001 0.000 0.236 529 D C -0.424 175.952 176.300 0.128 0.000 1.149 529 D CA 0.938 55.005 54.000 0.111 0.000 0.878 529 D CB 0.071 40.907 40.800 0.061 0.000 1.198 529 D HN 0.567 nan 8.370 nan 0.000 0.446 530 D N 1.472 121.946 120.400 0.125 0.000 2.699 530 D HA -0.171 4.469 4.640 -0.001 0.000 0.239 530 D C 0.552 176.919 176.300 0.112 0.000 1.136 530 D CA 0.921 54.979 54.000 0.097 0.000 0.668 530 D CB -0.444 40.398 40.800 0.070 0.000 1.060 530 D HN 0.587 nan 8.370 nan 0.000 0.429 531 E N -0.719 119.559 120.200 0.129 0.000 3.470 531 E HA 0.091 4.441 4.350 -0.001 0.000 0.220 531 E C 0.645 177.203 176.600 -0.071 0.000 1.260 531 E CA -0.086 56.383 56.400 0.115 0.000 1.240 531 E CB 0.406 30.257 29.700 0.252 0.000 2.780 531 E HN 0.049 nan 8.360 nan 0.000 0.573 532 E N 0.757 120.713 120.200 -0.406 0.000 3.916 532 E HA -0.264 4.085 4.350 -0.001 0.000 0.331 532 E C 0.770 177.153 176.600 -0.361 0.000 0.729 532 E CA 1.787 57.717 56.400 -0.783 0.000 1.222 532 E CB -1.044 28.456 29.700 -0.332 0.000 1.633 532 E HN 0.318 nan 8.360 nan 0.000 0.437 533 K N -0.982 119.284 120.400 -0.224 0.000 2.399 533 K HA 0.176 4.496 4.320 -0.001 0.000 0.196 533 K C 0.134 176.594 176.600 -0.234 0.000 1.103 533 K CA 0.116 56.261 56.287 -0.236 0.000 0.986 533 K CB 0.263 32.555 32.500 -0.347 0.000 0.952 533 K HN 0.053 nan 8.250 nan 0.000 0.541 534 F N 3.005 122.966 119.950 0.019 0.000 2.404 534 F HA 0.314 4.840 4.527 -0.001 0.000 0.358 534 F C -0.170 175.706 175.800 0.126 0.000 1.120 534 F CA -1.338 56.685 58.000 0.038 0.000 1.144 534 F CB 0.674 39.679 39.000 0.010 0.000 1.133 534 F HN -0.000 nan 8.300 nan 0.000 0.495 535 F N 3.253 123.311 119.950 0.180 0.000 2.508 535 F HA 0.801 5.327 4.527 -0.001 0.000 0.325 535 F C -3.117 172.750 175.800 0.113 0.000 1.090 535 F CA -3.844 54.239 58.000 0.137 0.000 0.945 535 F CB 0.771 39.816 39.000 0.075 0.000 1.156 535 F HN 0.114 nan 8.300 nan 0.000 0.463 536 P HA 0.058 nan 4.420 nan 0.000 0.268 536 P C -0.269 176.989 177.300 -0.069 0.000 1.204 536 P CA -0.212 62.883 63.100 -0.008 0.000 0.768 536 P CB 0.639 32.373 31.700 0.058 0.000 0.842 537 M N 5.647 125.113 119.600 -0.224 0.000 2.861 537 M HA -0.072 4.408 4.480 -0.001 0.000 0.347 537 M C 1.082 177.094 176.300 -0.481 0.000 1.791 537 M CA 0.813 55.959 55.300 -0.257 0.000 1.332 537 M CB -1.406 31.038 32.600 -0.260 0.000 2.040 537 M HN 0.605 nan 8.290 nan 0.000 0.463 538 H N 0.844 120.032 119.070 0.197 0.000 2.884 538 H HA -0.197 4.358 4.556 -0.001 0.000 0.289 538 H C 0.507 175.914 175.328 0.130 0.000 1.142 538 H CA 0.585 56.723 56.048 0.149 0.000 1.158 538 H CB -2.175 27.643 29.762 0.094 0.000 1.325 538 H HN 0.879 nan 8.280 nan 0.000 0.366 539 G N 0.921 109.757 108.800 0.060 0.000 3.155 539 G HA2 0.075 4.035 3.960 -0.001 0.000 0.213 539 G HA3 0.075 4.035 3.960 -0.001 0.000 0.213 539 G C 0.416 175.404 174.900 0.146 0.000 1.196 539 G CA 0.408 45.565 45.100 0.094 0.000 0.846 539 G HN 0.918 nan 8.290 nan 0.000 0.516 540 N N -1.206 117.586 118.700 0.153 0.000 3.046 540 N HA 0.242 4.982 4.740 -0.001 0.000 0.243 540 N C -1.615 173.913 175.510 0.031 0.000 1.452 540 N CA -0.871 52.245 53.050 0.110 0.000 0.882 540 N CB 0.941 39.497 38.487 0.116 0.000 1.425 540 N HN -0.189 nan 8.380 nan 0.000 0.517 541 L N 0.398 121.599 121.223 -0.037 0.000 2.371 541 L HA 0.520 4.860 4.340 -0.001 0.000 0.272 541 L C 0.018 176.647 176.870 -0.401 0.000 1.124 541 L CA -0.042 54.666 54.840 -0.220 0.000 0.816 541 L CB 0.317 42.230 42.059 -0.243 0.000 1.129 541 L HN 0.515 nan 8.230 nan 0.000 0.448 542 I N 2.795 123.066 120.570 -0.498 0.000 2.499 542 I HA 0.358 4.527 4.170 -0.001 0.000 0.288 542 I C -0.998 174.807 176.117 -0.520 0.000 1.048 542 I CA -0.386 60.659 61.300 -0.425 0.000 1.062 542 I CB 1.475 39.339 38.000 -0.227 0.000 1.238 542 I HN 0.295 nan 8.210 nan 0.000 0.426 543 F N 2.917 122.820 119.950 -0.079 0.000 2.443 543 F HA 0.618 5.144 4.527 -0.001 0.000 0.335 543 F C 0.993 176.758 175.800 -0.058 0.000 1.104 543 F CA -0.736 57.233 58.000 -0.053 0.000 1.013 543 F CB 1.849 40.820 39.000 -0.048 0.000 1.136 543 F HN 0.409 nan 8.300 nan 0.000 0.470 544 G N 2.754 111.639 108.800 0.141 0.000 2.353 544 G HA2 0.342 4.301 3.960 -0.001 0.000 0.284 544 G HA3 0.342 4.301 3.960 -0.001 0.000 0.284 544 G C -0.501 174.421 174.900 0.036 0.000 1.172 544 G CA -0.716 44.417 45.100 0.055 0.000 0.854 544 G HN 0.559 nan 8.290 nan 0.000 0.485 545 K N 0.698 121.095 120.400 -0.004 0.000 2.285 545 K HA 0.031 4.351 4.320 -0.001 0.000 0.255 545 K C 0.307 176.883 176.600 -0.040 0.000 1.000 545 K CA -0.075 56.188 56.287 -0.040 0.000 0.887 545 K CB 0.547 33.013 32.500 -0.057 0.000 0.997 545 K HN 0.495 nan 8.250 nan 0.000 0.510 546 E N 0.534 120.692 120.200 -0.069 0.000 2.351 546 E HA 0.099 4.449 4.350 -0.001 0.000 0.266 546 E C -0.295 176.279 176.600 -0.043 0.000 1.031 546 E CA 0.975 57.340 56.400 -0.058 0.000 0.911 546 E CB 0.116 29.761 29.700 -0.093 0.000 0.986 546 E HN 0.630 nan 8.360 nan 0.000 0.446 547 G N 3.685 112.471 108.800 -0.023 0.000 2.694 547 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.247 547 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.247 547 G C -0.409 174.479 174.900 -0.020 0.000 0.989 547 G CA 0.094 45.183 45.100 -0.019 0.000 1.252 547 G HN 0.629 nan 8.290 nan 0.000 0.483 548 T N 1.401 115.948 114.554 -0.012 0.000 3.578 548 T HA 0.459 4.809 4.350 -0.001 0.000 0.343 548 T C 0.348 175.043 174.700 -0.009 0.000 1.126 548 T CA -0.089 62.002 62.100 -0.014 0.000 1.092 548 T CB 1.176 70.034 68.868 -0.017 0.000 1.160 548 T HN 0.794 nan 8.240 nan 0.000 0.469 549 T N 2.510 117.057 114.554 -0.011 0.000 2.939 549 T HA 0.168 4.517 4.350 -0.001 0.000 0.312 549 T C 1.631 176.325 174.700 -0.010 0.000 1.064 549 T CA 0.279 62.373 62.100 -0.010 0.000 1.136 549 T CB 0.475 69.335 68.868 -0.012 0.000 1.035 549 T HN 0.768 nan 8.240 nan 0.000 0.538 550 A N 2.517 125.332 122.820 -0.008 0.000 2.206 550 A HA 0.218 4.538 4.320 -0.001 0.000 0.211 550 A C 1.427 179.000 177.584 -0.018 0.000 1.158 550 A CA 0.265 52.295 52.037 -0.011 0.000 0.761 550 A CB 0.162 19.157 19.000 -0.007 0.000 0.801 550 A HN 0.608 nan 8.150 nan 0.000 0.473 551 S N 0.144 115.834 115.700 -0.018 0.000 2.530 551 S HA 0.417 4.887 4.470 -0.001 0.000 0.322 551 S C -0.462 174.126 174.600 -0.020 0.000 1.085 551 S CA -0.702 57.484 58.200 -0.022 0.000 1.096 551 S CB -0.306 62.881 63.200 -0.022 0.000 0.988 551 S HN 0.539 nan 8.310 nan 0.000 0.466 552 N N 2.267 120.954 118.700 -0.022 0.000 2.620 552 N HA -0.202 4.537 4.740 -0.001 0.000 0.293 552 N C -0.499 175.001 175.510 -0.017 0.000 1.178 552 N CA 0.661 53.700 53.050 -0.018 0.000 0.750 552 N CB -0.419 38.058 38.487 -0.017 0.000 0.949 552 N HN 0.670 nan 8.380 nan 0.000 0.555 553 A N 1.213 124.022 122.820 -0.018 0.000 2.306 553 A HA 0.577 4.897 4.320 -0.001 0.000 0.330 553 A C 0.322 177.894 177.584 -0.020 0.000 1.146 553 A CA -0.547 51.478 52.037 -0.019 0.000 0.827 553 A CB 1.027 20.014 19.000 -0.021 0.000 1.178 553 A HN 0.497 nan 8.150 nan 0.000 0.490 554 E N 0.122 120.309 120.200 -0.020 0.000 2.408 554 E HA 0.180 4.530 4.350 -0.001 0.000 0.259 554 E C 0.884 177.467 176.600 -0.029 0.000 1.110 554 E CA -0.173 56.215 56.400 -0.020 0.000 0.929 554 E CB 0.574 30.262 29.700 -0.019 0.000 0.971 554 E HN 0.554 nan 8.360 nan 0.000 0.438 555 L N 2.434 123.641 121.223 -0.027 0.000 2.265 555 L HA -0.105 4.234 4.340 -0.001 0.000 0.215 555 L C 0.762 177.600 176.870 -0.053 0.000 1.117 555 L CA 1.799 56.612 54.840 -0.044 0.000 0.782 555 L CB -0.091 41.950 42.059 -0.030 0.000 0.914 555 L HN 0.549 nan 8.230 nan 0.000 0.441 556 D N -0.706 119.669 120.400 -0.041 0.000 2.349 556 D HA -0.037 4.602 4.640 -0.001 0.000 0.224 556 D C 0.919 177.192 176.300 -0.045 0.000 1.029 556 D CA 0.327 54.301 54.000 -0.043 0.000 0.879 556 D CB -0.007 40.771 40.800 -0.036 0.000 0.906 556 D HN 0.412 nan 8.370 nan 0.000 0.528 557 N N 0.052 118.725 118.700 -0.044 0.000 2.205 557 N HA 0.025 4.765 4.740 -0.001 0.000 0.201 557 N C 0.242 175.727 175.510 -0.041 0.000 1.128 557 N CA 0.068 53.094 53.050 -0.041 0.000 0.867 557 N CB 1.607 40.074 38.487 -0.033 0.000 0.996 557 N HN 0.098 nan 8.380 nan 0.000 0.503 558 V N -2.115 117.768 119.914 -0.051 0.000 3.113 558 V HA 0.661 4.780 4.120 -0.001 0.000 0.316 558 V C -0.373 175.686 176.094 -0.058 0.000 1.125 558 V CA -0.979 61.290 62.300 -0.051 0.000 1.026 558 V CB 2.445 34.225 31.823 -0.072 0.000 1.080 558 V HN -0.185 nan 8.190 nan 0.000 0.444 559 M N 2.843 122.423 119.600 -0.032 0.000 2.085 559 M HA 0.585 5.065 4.480 -0.001 0.000 0.309 559 M C -1.019 175.248 176.300 -0.056 0.000 0.947 559 M CA -0.134 55.153 55.300 -0.022 0.000 0.918 559 M CB 1.674 34.300 32.600 0.043 0.000 1.504 559 M HN 0.553 nan 8.290 nan 0.000 0.420 560 I N 2.355 122.853 120.570 -0.121 0.000 2.428 560 I HA 0.370 4.540 4.170 -0.001 0.000 0.296 560 I C 0.587 176.641 176.117 -0.104 0.000 0.985 560 I CA -0.681 60.512 61.300 -0.179 0.000 1.260 560 I CB 1.799 39.599 38.000 -0.333 0.000 1.389 560 I HN 0.604 nan 8.210 nan 0.000 0.484 561 T N 0.297 114.785 114.554 -0.110 0.000 2.767 561 T HA 0.308 4.658 4.350 -0.001 0.000 0.288 561 T C -0.555 174.181 174.700 0.059 0.000 0.963 561 T CA -0.847 61.202 62.100 -0.085 0.000 1.019 561 T CB 1.467 70.166 68.868 -0.281 0.000 0.923 561 T HN 0.372 nan 8.240 nan 0.000 0.468 562 D N 2.166 122.645 120.400 0.131 0.000 2.274 562 D HA 0.204 4.844 4.640 -0.001 0.000 0.239 562 D C -0.088 176.336 176.300 0.207 0.000 1.104 562 D CA -0.422 53.697 54.000 0.198 0.000 0.840 562 D CB 0.932 41.870 40.800 0.230 0.000 1.100 562 D HN 0.454 nan 8.370 nan 0.000 0.477 563 E N 3.263 123.566 120.200 0.172 0.000 2.360 563 E HA 0.062 4.412 4.350 -0.001 0.000 0.253 563 E C 0.071 176.689 176.600 0.031 0.000 1.189 563 E CA -0.045 56.434 56.400 0.132 0.000 1.252 563 E CB 0.329 30.113 29.700 0.140 0.000 1.408 563 E HN 0.651 nan 8.360 nan 0.000 0.464 564 E N -0.354 119.847 120.200 0.003 0.000 2.501 564 E HA 0.099 4.448 4.350 -0.001 0.000 0.200 564 E C 0.301 176.868 176.600 -0.054 0.000 1.016 564 E CA 0.035 56.377 56.400 -0.097 0.000 0.921 564 E CB 0.297 29.904 29.700 -0.156 0.000 1.034 564 E HN -0.002 nan 8.360 nan 0.000 0.468 565 E N 1.084 121.264 120.200 -0.032 0.000 2.340 565 E HA 0.081 4.431 4.350 -0.001 0.000 0.194 565 E C 1.706 178.279 176.600 -0.044 0.000 0.996 565 E CA 0.414 56.783 56.400 -0.052 0.000 0.869 565 E CB 0.111 29.762 29.700 -0.082 0.000 0.835 565 E HN 0.533 nan 8.360 nan 0.000 0.493 566 I N -1.887 118.669 120.570 -0.024 0.000 3.855 566 I HA 0.248 4.418 4.170 -0.001 0.000 0.327 566 I C 1.038 177.167 176.117 0.019 0.000 1.359 566 I CA -0.123 61.181 61.300 0.007 0.000 1.142 566 I CB 0.112 38.125 38.000 0.022 0.000 1.041 566 I HN -0.127 nan 8.210 nan 0.000 0.403 567 R N 1.493 121.990 120.500 -0.006 0.000 2.249 567 R HA -0.093 4.246 4.340 -0.001 0.000 0.230 567 R C 1.996 178.299 176.300 0.005 0.000 1.121 567 R CA 1.911 58.003 56.100 -0.013 0.000 0.997 567 R CB -0.364 29.915 30.300 -0.035 0.000 0.867 567 R HN 0.655 nan 8.270 nan 0.000 0.465 568 T N -3.819 110.750 114.554 0.024 0.000 3.057 568 T HA 0.017 4.367 4.350 -0.001 0.000 0.254 568 T C 1.681 176.386 174.700 0.010 0.000 1.094 568 T CA 0.939 63.051 62.100 0.020 0.000 1.088 568 T CB 0.378 69.271 68.868 0.042 0.000 0.934 568 T HN 0.267 nan 8.240 nan 0.000 0.497 569 T N -1.594 112.982 114.554 0.036 0.000 2.964 569 T HA 0.316 4.665 4.350 -0.001 0.000 0.250 569 T C 0.323 175.079 174.700 0.093 0.000 0.982 569 T CA -0.475 61.653 62.100 0.047 0.000 0.959 569 T CB -0.251 68.651 68.868 0.057 0.000 1.141 569 T HN 0.339 nan 8.240 nan 0.000 0.494 570 N N 2.179 120.928 118.700 0.082 0.000 2.319 570 N HA 0.608 5.348 4.740 -0.001 0.000 0.305 570 N C -3.103 172.440 175.510 0.054 0.000 1.103 570 N CA -1.898 51.207 53.050 0.092 0.000 0.815 570 N CB 1.781 40.327 38.487 0.099 0.000 1.288 570 N HN 0.059 nan 8.380 nan 0.000 0.493 571 P HA 0.055 nan 4.420 nan 0.000 0.272 571 P C -0.698 176.626 177.300 0.040 0.000 1.230 571 P CA -0.385 62.740 63.100 0.041 0.000 0.788 571 P CB 0.560 32.335 31.700 0.125 0.000 0.949 572 V N 1.380 121.305 119.914 0.018 0.000 2.614 572 V HA 0.184 4.304 4.120 -0.001 0.000 0.291 572 V C 1.635 177.749 176.094 0.034 0.000 1.049 572 V CA 0.438 62.749 62.300 0.019 0.000 1.038 572 V CB 0.235 32.061 31.823 0.004 0.000 0.980 572 V HN 0.710 nan 8.190 nan 0.000 0.481 573 A N 3.793 126.639 122.820 0.043 0.000 1.902 573 A HA -0.147 4.172 4.320 -0.001 0.000 0.217 573 A C 2.222 179.815 177.584 0.016 0.000 1.181 573 A CA 2.320 54.384 52.037 0.044 0.000 0.623 573 A CB -0.710 18.325 19.000 0.058 0.000 0.818 573 A HN 1.007 nan 8.150 nan 0.000 0.443 574 T N -2.558 111.999 114.554 0.005 0.000 3.014 574 T HA 0.067 4.417 4.350 -0.001 0.000 0.263 574 T C 0.765 175.438 174.700 -0.044 0.000 1.078 574 T CA 0.431 62.513 62.100 -0.029 0.000 1.135 574 T CB -0.162 68.682 68.868 -0.040 0.000 0.895 574 T HN 0.380 nan 8.240 nan 0.000 0.480 575 E N 2.391 122.572 120.200 -0.031 0.000 2.376 575 E HA 0.211 4.560 4.350 -0.001 0.000 0.254 575 E C 0.558 177.147 176.600 -0.019 0.000 1.213 575 E CA -0.321 56.056 56.400 -0.038 0.000 0.945 575 E CB 0.476 30.155 29.700 -0.036 0.000 1.057 575 E HN 0.758 nan 8.360 nan 0.000 0.479 576 Q N -0.332 119.457 119.800 -0.020 0.000 2.700 576 Q HA -0.013 4.326 4.340 -0.001 0.000 0.191 576 Q C 0.655 176.691 176.000 0.059 0.000 1.134 576 Q CA 0.043 55.852 55.803 0.010 0.000 1.193 576 Q CB 0.164 28.900 28.738 -0.004 0.000 1.250 576 Q HN 0.622 nan 8.270 nan 0.000 0.670 577 Y N -1.291 118.985 120.300 -0.041 0.000 2.351 577 Y HA 0.411 4.961 4.550 -0.001 0.000 0.291 577 Y C 0.635 176.520 175.900 -0.024 0.000 1.153 577 Y CA 1.152 59.234 58.100 -0.030 0.000 1.193 577 Y CB 0.833 39.273 38.460 -0.032 0.000 1.187 577 Y HN 0.802 nan 8.280 nan 0.000 0.524 578 G N -1.193 107.636 108.800 0.048 0.000 2.588 578 G HA2 0.400 4.359 3.960 -0.001 0.000 0.281 578 G HA3 0.400 4.359 3.960 -0.001 0.000 0.281 578 G C -1.456 173.465 174.900 0.035 0.000 1.223 578 G CA -0.365 44.711 45.100 -0.041 0.000 0.871 578 G HN -0.066 nan 8.290 nan 0.000 0.492 579 T N 0.173 114.743 114.554 0.027 0.000 2.879 579 T HA 0.613 4.963 4.350 -0.001 0.000 0.290 579 T C -0.856 173.865 174.700 0.034 0.000 0.993 579 T CA -0.229 61.885 62.100 0.022 0.000 0.975 579 T CB 1.661 70.528 68.868 -0.001 0.000 0.981 579 T HN 0.616 nan 8.240 nan 0.000 0.439 580 V N 2.161 122.094 119.914 0.031 0.000 2.680 580 V HA 0.852 4.971 4.120 -0.001 0.000 0.309 580 V C 0.346 176.449 176.094 0.016 0.000 1.052 580 V CA -1.203 61.114 62.300 0.028 0.000 0.908 580 V CB 1.731 33.571 31.823 0.028 0.000 1.001 580 V HN 1.063 nan 8.190 nan 0.000 0.431 581 A N 3.156 125.985 122.820 0.015 0.000 2.322 581 A HA 0.677 4.997 4.320 -0.001 0.000 0.269 581 A C 0.423 178.012 177.584 0.008 0.000 1.094 581 A CA -0.380 51.663 52.037 0.011 0.000 0.807 581 A CB 0.181 19.188 19.000 0.013 0.000 1.047 581 A HN 1.061 nan 8.150 nan 0.000 0.487 582 N N 1.134 119.837 118.700 0.005 0.000 2.604 582 N HA 0.122 4.862 4.740 -0.001 0.000 0.284 582 N C -1.202 174.310 175.510 0.003 0.000 1.716 582 N CA -0.419 52.633 53.050 0.003 0.000 0.859 582 N CB 0.110 38.597 38.487 0.001 0.000 1.403 582 N HN 0.740 nan 8.380 nan 0.000 0.501 583 N N -0.208 118.495 118.700 0.004 0.000 3.355 583 N HA 0.202 4.942 4.740 -0.001 0.000 0.238 583 N C -1.729 173.785 175.510 0.006 0.000 1.466 583 N CA -0.583 52.469 53.050 0.004 0.000 0.882 583 N CB 0.720 39.208 38.487 0.002 0.000 1.406 583 N HN 0.047 nan 8.380 nan 0.000 0.500 584 L N 1.404 122.630 121.223 0.005 0.000 2.417 584 L HA 0.273 4.613 4.340 -0.001 0.000 0.258 584 L C 0.119 176.992 176.870 0.006 0.000 1.088 584 L CA -0.851 53.993 54.840 0.007 0.000 0.975 584 L CB 0.506 42.569 42.059 0.007 0.000 1.341 584 L HN 0.601 nan 8.230 nan 0.000 0.431 585 Q N 2.009 121.813 119.800 0.006 0.000 2.349 585 Q HA 0.408 4.748 4.340 -0.001 0.000 0.287 585 Q C 0.040 176.043 176.000 0.004 0.000 1.044 585 Q CA -0.005 55.800 55.803 0.004 0.000 0.918 585 Q CB 1.140 29.881 28.738 0.004 0.000 1.242 585 Q HN 0.558 nan 8.270 nan 0.000 0.405 586 S N 0.469 116.171 115.700 0.002 0.000 2.757 586 S HA 0.429 4.899 4.470 -0.001 0.000 0.285 586 S C 0.448 175.047 174.600 -0.000 0.000 1.196 586 S CA -0.308 57.893 58.200 0.002 0.000 0.856 586 S CB 0.324 63.526 63.200 0.003 0.000 1.212 586 S HN 0.858 nan 8.310 nan 0.000 0.516 587 S N 1.225 116.925 115.700 -0.001 0.000 2.399 587 S HA -0.091 4.378 4.470 -0.001 0.000 0.231 587 S C 1.253 175.852 174.600 -0.002 0.000 1.022 587 S CA 1.107 59.306 58.200 -0.002 0.000 0.983 587 S CB -0.874 62.325 63.200 -0.002 0.000 0.803 587 S HN 0.646 nan 8.310 nan 0.000 0.480 588 N N 1.535 120.234 118.700 -0.001 0.000 2.300 588 N HA 0.044 4.783 4.740 -0.001 0.000 0.179 588 N C -0.054 175.455 175.510 -0.002 0.000 1.016 588 N CA 0.925 53.974 53.050 -0.001 0.000 0.876 588 N CB -0.135 38.352 38.487 -0.001 0.000 0.979 588 N HN 0.423 nan 8.380 nan 0.000 0.432 589 T N 0.416 114.969 114.554 -0.001 0.000 2.807 589 T HA 0.616 4.965 4.350 -0.001 0.000 0.279 589 T C -0.343 174.356 174.700 -0.002 0.000 0.993 589 T CA -0.806 61.293 62.100 -0.001 0.000 0.970 589 T CB 2.417 71.285 68.868 -0.000 0.000 0.950 589 T HN 0.104 nan 8.240 nan 0.000 0.441 590 A N 4.943 127.761 122.820 -0.003 0.000 2.328 590 A HA 0.624 4.944 4.320 -0.001 0.000 0.284 590 A C -2.158 175.425 177.584 -0.002 0.000 1.160 590 A CA -1.662 50.373 52.037 -0.003 0.000 0.818 590 A CB -0.259 18.738 19.000 -0.004 0.000 1.087 590 A HN 0.578 nan 8.150 nan 0.000 0.504 591 P HA 0.078 nan 4.420 nan 0.000 0.261 591 P C -0.319 176.981 177.300 -0.001 0.000 1.183 591 P CA 0.554 63.654 63.100 -0.000 0.000 0.761 591 P CB 0.276 31.977 31.700 0.001 0.000 0.785 592 T N 2.561 117.115 114.554 -0.001 0.000 2.867 592 T HA 0.409 4.758 4.350 -0.001 0.000 0.282 592 T C 0.176 174.875 174.700 -0.001 0.000 1.000 592 T CA -0.223 61.876 62.100 -0.002 0.000 1.042 592 T CB 0.957 69.823 68.868 -0.003 0.000 0.973 592 T HN 0.235 nan 8.240 nan 0.000 0.465 593 T N 3.356 117.908 114.554 -0.004 0.000 2.824 593 T HA 0.527 4.877 4.350 -0.001 0.000 0.282 593 T C -0.468 174.229 174.700 -0.005 0.000 0.993 593 T CA -0.761 61.337 62.100 -0.003 0.000 0.967 593 T CB 1.115 69.980 68.868 -0.005 0.000 0.960 593 T HN 0.281 nan 8.240 nan 0.000 0.441 594 R N 2.289 122.788 120.500 -0.002 0.000 2.480 594 R HA 0.389 4.729 4.340 -0.001 0.000 0.306 594 R C -0.838 175.462 176.300 0.001 0.000 0.958 594 R CA -0.473 55.624 56.100 -0.004 0.000 0.861 594 R CB 1.458 31.756 30.300 -0.004 0.000 1.171 594 R HN 0.601 nan 8.270 nan 0.000 0.445 595 T N 3.378 117.929 114.554 -0.005 0.000 2.779 595 T HA 0.067 4.416 4.350 -0.001 0.000 0.296 595 T C -0.172 174.531 174.700 0.006 0.000 0.938 595 T CA -0.034 62.067 62.100 0.000 0.000 1.119 595 T CB 0.648 69.509 68.868 -0.012 0.000 0.891 595 T HN 0.352 nan 8.240 nan 0.000 0.526 596 V N 5.844 125.780 119.914 0.036 0.000 2.408 596 V HA 0.272 4.392 4.120 -0.001 0.000 0.267 596 V C 0.603 176.717 176.094 0.033 0.000 1.047 596 V CA -0.345 61.975 62.300 0.034 0.000 0.937 596 V CB 0.459 32.327 31.823 0.075 0.000 0.999 596 V HN 0.833 nan 8.190 nan 0.000 0.472 597 N N 4.464 123.144 118.700 -0.034 0.000 2.254 597 N HA 0.149 4.888 4.740 -0.001 0.000 0.190 597 N C -0.417 175.015 175.510 -0.130 0.000 1.107 597 N CA 0.156 53.166 53.050 -0.067 0.000 0.869 597 N CB 0.613 39.039 38.487 -0.102 0.000 0.983 597 N HN 0.787 nan 8.380 nan 0.000 0.487 598 D N 0.648 120.961 120.400 -0.145 0.000 2.855 598 D HA 0.188 4.828 4.640 -0.001 0.000 0.241 598 D C -1.538 174.633 176.300 -0.216 0.000 1.277 598 D CA -0.352 53.543 54.000 -0.176 0.000 0.918 598 D CB 1.526 42.224 40.800 -0.170 0.000 1.462 598 D HN -0.255 nan 8.370 nan 0.000 0.559 599 Q N 2.585 122.206 119.800 -0.298 0.000 2.309 599 Q HA 0.657 4.996 4.340 -0.001 0.000 0.270 599 Q C 0.096 175.917 176.000 -0.298 0.000 1.023 599 Q CA -0.710 54.834 55.803 -0.432 0.000 0.758 599 Q CB 1.674 29.801 28.738 -1.019 0.000 1.247 599 Q HN 0.529 nan 8.270 nan 0.000 0.455 600 G N 1.995 110.659 108.800 -0.226 0.000 2.441 600 G HA2 0.489 4.449 3.960 -0.001 0.000 0.258 600 G HA3 0.489 4.449 3.960 -0.001 0.000 0.258 600 G C -0.674 174.080 174.900 -0.242 0.000 1.487 600 G CA -0.046 44.923 45.100 -0.218 0.000 1.058 600 G HN 0.793 nan 8.290 nan 0.000 0.552 601 A N -1.269 121.404 122.820 -0.245 0.000 2.306 601 A HA 0.746 5.066 4.320 -0.001 0.000 0.314 601 A C -0.604 176.950 177.584 -0.050 0.000 1.164 601 A CA -0.404 51.519 52.037 -0.189 0.000 0.822 601 A CB 0.787 19.594 19.000 -0.322 0.000 1.130 601 A HN 0.512 nan 8.150 nan 0.000 0.496 602 L N 2.097 123.348 121.223 0.046 0.000 2.422 602 L HA 0.413 4.753 4.340 -0.001 0.000 0.264 602 L C -2.534 174.434 176.870 0.163 0.000 0.984 602 L CA -2.018 52.876 54.840 0.089 0.000 0.819 602 L CB 2.673 44.781 42.059 0.082 0.000 1.330 602 L HN 0.438 nan 8.230 nan 0.000 0.410 603 P HA 0.169 nan 4.420 nan 0.000 0.262 603 P C 0.679 178.102 177.300 0.204 0.000 1.199 603 P CA 0.678 63.883 63.100 0.174 0.000 0.763 603 P CB 0.723 32.501 31.700 0.130 0.000 0.790 604 G N 2.479 111.445 108.800 0.276 0.000 2.253 604 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.209 604 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.209 604 G C 0.223 175.361 174.900 0.397 0.000 0.997 604 G CA -0.529 44.803 45.100 0.388 0.000 0.640 604 G HN 0.437 nan 8.290 nan 0.000 0.496 605 M N 1.502 121.298 119.600 0.327 0.000 2.239 605 M HA 0.478 4.957 4.480 -0.001 0.000 0.348 605 M C 0.696 177.215 176.300 0.365 0.000 1.239 605 M CA 0.213 55.725 55.300 0.353 0.000 1.114 605 M CB 1.277 34.089 32.600 0.353 0.000 1.641 605 M HN 0.590 nan 8.290 nan 0.000 0.453 606 V N 1.208 121.304 119.914 0.303 0.000 2.962 606 V HA 0.949 5.069 4.120 -0.001 0.000 0.313 606 V C -1.533 174.743 176.094 0.303 0.000 1.099 606 V CA -0.653 61.711 62.300 0.106 0.000 0.971 606 V CB 1.860 33.580 31.823 -0.171 0.000 1.028 606 V HN 1.125 nan 8.190 nan 0.000 0.430 607 W N 1.509 122.769 121.300 -0.067 0.000 2.959 607 W HA 0.852 5.512 4.660 -0.001 0.000 0.358 607 W C -1.297 175.195 176.519 -0.045 0.000 1.228 607 W CA -0.763 56.554 57.345 -0.047 0.000 1.183 607 W CB 1.389 30.827 29.460 -0.036 0.000 1.467 607 W HN 0.783 nan 8.180 nan 0.000 0.578 608 Q N 1.170 121.093 119.800 0.204 0.000 2.297 608 Q HA 0.456 4.795 4.340 -0.001 0.000 0.269 608 Q C -1.084 175.037 176.000 0.202 0.000 1.051 608 Q CA -0.318 55.526 55.803 0.069 0.000 0.869 608 Q CB 1.722 30.466 28.738 0.010 0.000 1.346 608 Q HN 0.379 nan 8.270 nan 0.000 0.457 609 D N 0.127 120.585 120.400 0.096 0.000 2.440 609 D HA 0.365 5.005 4.640 -0.001 0.000 0.258 609 D C -0.461 175.907 176.300 0.115 0.000 1.092 609 D CA -0.514 53.587 54.000 0.168 0.000 1.016 609 D CB 0.851 41.758 40.800 0.178 0.000 1.141 609 D HN 0.349 nan 8.370 nan 0.000 0.552 610 R N 0.563 121.153 120.500 0.151 0.000 2.679 610 R HA 0.076 4.415 4.340 -0.001 0.000 0.268 610 R C -0.132 176.259 176.300 0.152 0.000 1.044 610 R CA 0.073 56.262 56.100 0.149 0.000 1.105 610 R CB 0.334 30.735 30.300 0.168 0.000 0.989 610 R HN 0.416 nan 8.270 nan 0.000 0.447 611 D N 0.446 120.900 120.400 0.090 0.000 2.371 611 D HA 0.172 4.812 4.640 -0.001 0.000 0.242 611 D C -0.642 175.494 176.300 -0.273 0.000 1.218 611 D CA -0.193 53.781 54.000 -0.043 0.000 0.945 611 D CB 0.939 41.601 40.800 -0.230 0.000 1.137 611 D HN 0.197 nan 8.370 nan 0.000 0.464 612 V N -0.413 119.228 119.914 -0.455 0.000 2.715 612 V HA 0.616 4.735 4.120 -0.001 0.000 0.310 612 V C -1.146 174.665 176.094 -0.471 0.000 1.054 612 V CA -0.728 61.341 62.300 -0.386 0.000 0.928 612 V CB 1.100 32.690 31.823 -0.387 0.000 1.007 612 V HN 0.455 nan 8.190 nan 0.000 0.437 613 Y N 2.339 122.707 120.300 0.113 0.000 2.509 613 Y HA 0.576 5.126 4.550 -0.001 0.000 0.341 613 Y C 0.814 176.474 175.900 -0.400 0.000 1.038 613 Y CA -0.908 57.197 58.100 0.008 0.000 1.089 613 Y CB 1.792 40.312 38.460 0.101 0.000 1.241 613 Y HN 0.627 nan 8.280 nan 0.000 0.468 614 L N 1.602 122.371 121.223 -0.756 0.000 2.151 614 L HA -0.253 4.087 4.340 -0.001 0.000 0.215 614 L C 1.721 178.336 176.870 -0.424 0.000 1.084 614 L CA 2.071 56.094 54.840 -1.361 0.000 0.764 614 L CB -0.393 40.936 42.059 -1.217 0.000 0.891 614 L HN 0.822 nan 8.230 nan 0.000 0.435 615 Q N -1.212 118.463 119.800 -0.208 0.000 2.175 615 Q HA 0.317 4.657 4.340 -0.001 0.000 0.225 615 Q C 0.589 176.602 176.000 0.021 0.000 0.837 615 Q CA 0.348 56.168 55.803 0.028 0.000 1.032 615 Q CB -0.324 28.349 28.738 -0.109 0.000 1.137 615 Q HN 0.376 nan 8.270 nan 0.000 0.483 616 G N 2.043 110.980 108.800 0.228 0.000 2.522 616 G HA2 0.517 4.477 3.960 -0.001 0.000 0.304 616 G HA3 0.517 4.477 3.960 -0.001 0.000 0.304 616 G C -2.777 172.346 174.900 0.370 0.000 1.210 616 G CA -1.409 43.974 45.100 0.473 0.000 0.960 616 G HN 0.075 nan 8.290 nan 0.000 0.497 617 P HA 0.227 nan 4.420 nan 0.000 0.272 617 P C 0.458 177.803 177.300 0.075 0.000 1.223 617 P CA -0.238 62.906 63.100 0.073 0.000 0.784 617 P CB 1.132 32.870 31.700 0.065 0.000 0.923 618 I N -0.515 119.937 120.570 -0.197 0.000 2.726 618 I HA 0.167 4.337 4.170 -0.001 0.000 0.243 618 I C 0.727 177.080 176.117 0.394 0.000 1.082 618 I CA 0.635 61.886 61.300 -0.082 0.000 1.447 618 I CB -0.382 37.560 38.000 -0.097 0.000 1.250 618 I HN 0.436 nan 8.210 nan 0.000 0.453 619 W N 1.057 122.511 121.300 0.256 0.000 3.207 619 W HA 0.823 5.483 4.660 -0.001 0.000 0.326 619 W C -1.183 175.468 176.519 0.219 0.000 1.190 619 W CA -1.203 56.321 57.345 0.298 0.000 1.011 619 W CB 0.818 30.477 29.460 0.332 0.000 1.511 619 W HN -0.035 nan 8.180 nan 0.000 0.606 620 A N 1.332 124.447 122.820 0.491 0.000 2.555 620 A HA 0.465 4.785 4.320 -0.001 0.000 0.297 620 A C -1.413 176.343 177.584 0.287 0.000 1.060 620 A CA -1.116 51.121 52.037 0.333 0.000 0.710 620 A CB 1.391 20.502 19.000 0.185 0.000 1.282 620 A HN 0.724 nan 8.150 nan 0.000 0.399 621 K N 2.297 122.822 120.400 0.208 0.000 2.412 621 K HA 0.389 4.709 4.320 -0.001 0.000 0.281 621 K C -0.655 175.912 176.600 -0.055 0.000 1.027 621 K CA -0.050 56.181 56.287 -0.093 0.000 0.989 621 K CB 0.147 32.405 32.500 -0.403 0.000 0.935 621 K HN 0.578 nan 8.250 nan 0.000 0.475 622 I N 7.750 128.235 120.570 -0.142 0.000 2.379 622 I HA 0.114 4.284 4.170 -0.001 0.000 0.290 622 I C -1.860 174.177 176.117 -0.134 0.000 1.063 622 I CA -2.285 58.921 61.300 -0.157 0.000 1.351 622 I CB 0.935 38.762 38.000 -0.289 0.000 1.410 622 I HN 0.521 nan 8.210 nan 0.000 0.505 623 P HA -0.110 nan 4.420 nan 0.000 0.262 623 P C -0.514 176.860 177.300 0.124 0.000 1.182 623 P CA 0.182 63.320 63.100 0.064 0.000 0.761 623 P CB 0.193 31.955 31.700 0.103 0.000 0.795 624 H N 2.473 121.565 119.070 0.036 0.000 3.216 624 H HA 0.238 4.794 4.556 -0.001 0.000 0.263 624 H C 0.273 175.655 175.328 0.090 0.000 1.601 624 H CA 0.085 56.169 56.048 0.060 0.000 1.509 624 H CB -0.506 29.260 29.762 0.007 0.000 1.759 624 H HN 0.333 nan 8.280 nan 0.000 0.533 625 T N -0.465 114.104 114.554 0.025 0.000 2.905 625 T HA 0.151 4.501 4.350 -0.001 0.000 0.283 625 T C 0.930 175.490 174.700 -0.234 0.000 1.031 625 T CA -0.938 61.128 62.100 -0.057 0.000 1.002 625 T CB 1.295 70.142 68.868 -0.035 0.000 1.200 625 T HN 0.228 nan 8.240 nan 0.000 0.560 626 D N 0.458 120.748 120.400 -0.183 0.000 2.224 626 D HA 0.192 4.832 4.640 -0.001 0.000 0.205 626 D C 0.919 177.034 176.300 -0.308 0.000 0.965 626 D CA 1.095 54.980 54.000 -0.191 0.000 0.852 626 D CB -0.221 40.521 40.800 -0.097 0.000 0.947 626 D HN 0.812 nan 8.370 nan 0.000 0.494 627 G N -0.718 107.833 108.800 -0.416 0.000 2.682 627 G HA2 0.536 4.495 3.960 -0.001 0.000 0.300 627 G HA3 0.536 4.495 3.960 -0.001 0.000 0.300 627 G C -1.107 173.448 174.900 -0.575 0.000 1.391 627 G CA -0.608 44.237 45.100 -0.425 0.000 0.990 627 G HN 0.021 nan 8.290 nan 0.000 0.501 628 H N 0.977 120.070 119.070 0.039 0.000 2.949 628 H HA 0.553 5.108 4.556 -0.001 0.000 0.356 628 H C -0.676 174.754 175.328 0.171 0.000 1.212 628 H CA -0.652 55.439 56.048 0.071 0.000 1.136 628 H CB 2.362 32.138 29.762 0.023 0.000 1.869 628 H HN 0.418 nan 8.280 nan 0.000 0.556 629 F N 0.102 120.155 119.950 0.172 0.000 2.376 629 F HA 0.174 4.701 4.527 -0.001 0.000 0.234 629 F C 0.507 176.451 175.800 0.239 0.000 1.010 629 F CA 0.376 58.475 58.000 0.166 0.000 1.100 629 F CB 0.438 39.512 39.000 0.123 0.000 1.360 629 F HN 0.474 nan 8.300 nan 0.000 0.649 630 H N 2.170 121.260 119.070 0.034 0.000 2.643 630 H HA 0.314 4.869 4.556 -0.001 0.000 0.259 630 H C -2.127 173.263 175.328 0.104 0.000 1.298 630 H CA -1.884 54.158 56.048 -0.010 0.000 1.301 630 H CB 0.771 30.641 29.762 0.179 0.000 1.422 630 H HN 0.081 nan 8.280 nan 0.000 0.521 631 P HA -0.055 nan 4.420 nan 0.000 0.279 631 P C 0.099 177.394 177.300 -0.009 0.000 1.451 631 P CA 0.285 63.364 63.100 -0.035 0.000 0.783 631 P CB -0.232 31.381 31.700 -0.146 0.000 1.490 632 S N 1.554 117.284 115.700 0.052 0.000 2.499 632 S HA 0.322 4.791 4.470 -0.001 0.000 0.275 632 S C -2.288 172.391 174.600 0.132 0.000 1.257 632 S CA -1.703 56.560 58.200 0.105 0.000 1.050 632 S CB -0.187 63.129 63.200 0.193 0.000 0.937 632 S HN -0.057 nan 8.310 nan 0.000 0.490 633 P HA 0.031 nan 4.420 nan 0.000 0.262 633 P C 0.595 177.968 177.300 0.121 0.000 1.182 633 P CA 0.128 63.298 63.100 0.116 0.000 0.761 633 P CB 0.337 32.113 31.700 0.126 0.000 0.795 634 L N 2.249 123.538 121.223 0.110 0.000 2.201 634 L HA -0.092 4.247 4.340 -0.001 0.000 0.212 634 L C 2.018 178.957 176.870 0.115 0.000 1.105 634 L CA 1.364 56.270 54.840 0.110 0.000 0.775 634 L CB -0.474 41.637 42.059 0.087 0.000 0.913 634 L HN 0.472 nan 8.230 nan 0.000 0.440 635 M N -0.520 119.146 119.600 0.109 0.000 2.659 635 M HA 0.151 4.631 4.480 -0.001 0.000 0.243 635 M C 0.814 177.205 176.300 0.153 0.000 1.111 635 M CA 0.494 55.865 55.300 0.118 0.000 1.070 635 M CB -0.192 32.463 32.600 0.092 0.000 1.525 635 M HN 0.329 nan 8.290 nan 0.000 0.517 636 G N -0.203 108.680 108.800 0.139 0.000 2.619 636 G HA2 0.278 4.237 3.960 -0.001 0.000 0.686 636 G HA3 0.278 4.237 3.960 -0.001 0.000 0.686 636 G C -0.274 174.684 174.900 0.097 0.000 1.256 636 G CA -0.575 44.600 45.100 0.125 0.000 0.826 636 G HN 0.777 nan 8.290 nan 0.000 0.619 637 G N -1.029 107.765 108.800 -0.010 0.000 2.428 637 G HA2 0.389 4.348 3.960 -0.001 0.000 0.202 637 G HA3 0.389 4.348 3.960 -0.001 0.000 0.202 637 G C -0.445 174.332 174.900 -0.206 0.000 1.247 637 G CA 0.054 45.089 45.100 -0.109 0.000 1.020 637 G HN 1.722 nan 8.290 nan 0.000 0.529 638 F N 1.825 121.933 119.950 0.263 0.000 2.411 638 F HA 0.586 5.113 4.527 -0.001 0.000 0.352 638 F C 1.101 177.038 175.800 0.228 0.000 1.123 638 F CA 0.170 58.305 58.000 0.225 0.000 1.044 638 F CB 2.065 41.210 39.000 0.242 0.000 1.135 638 F HN 0.733 nan 8.300 nan 0.000 0.461 639 G N 4.888 113.855 108.800 0.278 0.000 2.320 639 G HA2 0.610 4.570 3.960 -0.001 0.000 0.300 639 G HA3 0.610 4.570 3.960 -0.001 0.000 0.300 639 G C -1.015 173.956 174.900 0.119 0.000 1.126 639 G CA -0.516 44.686 45.100 0.170 0.000 0.896 639 G HN 0.570 nan 8.290 nan 0.000 0.436 640 L N 2.931 124.206 121.223 0.087 0.000 2.362 640 L HA 0.372 4.712 4.340 -0.001 0.000 0.275 640 L C 1.072 177.840 176.870 -0.171 0.000 0.998 640 L CA -1.115 53.725 54.840 0.001 0.000 0.820 640 L CB 2.333 44.420 42.059 0.046 0.000 1.270 640 L HN 0.434 nan 8.230 nan 0.000 0.415 641 K N 0.924 121.183 120.400 -0.235 0.000 2.057 641 K HA -0.031 4.289 4.320 -0.001 0.000 0.207 641 K C 0.281 176.382 176.600 -0.831 0.000 1.049 641 K CA 1.297 57.290 56.287 -0.491 0.000 0.931 641 K CB 0.062 32.294 32.500 -0.447 0.000 0.714 641 K HN 0.540 nan 8.250 nan 0.000 0.440 642 H N 0.266 119.167 119.070 -0.281 0.000 2.569 642 H HA 0.297 4.853 4.556 -0.001 0.000 0.247 642 H C -2.456 172.796 175.328 -0.127 0.000 1.346 642 H CA -2.122 53.701 56.048 -0.375 0.000 1.502 642 H CB 1.171 30.888 29.762 -0.075 0.000 1.512 642 H HN 0.029 nan 8.280 nan 0.000 0.502 643 P HA 0.155 nan 4.420 nan 0.000 0.276 643 P C -2.599 174.440 177.300 -0.435 0.000 1.261 643 P CA -1.878 61.046 63.100 -0.294 0.000 0.800 643 P CB 0.025 31.563 31.700 -0.271 0.000 1.066 644 P HA 0.023 nan 4.420 nan 0.000 0.258 644 P C -2.099 175.029 177.300 -0.287 0.000 1.172 644 P CA -0.270 62.108 63.100 -1.204 0.000 0.762 644 P CB -1.123 29.906 31.700 -1.118 0.000 0.764 645 P HA 0.030 nan 4.420 nan 0.000 0.272 645 P C -0.486 176.734 177.300 -0.134 0.000 1.240 645 P CA -0.036 63.016 63.100 -0.081 0.000 0.791 645 P CB 0.718 32.271 31.700 -0.245 0.000 0.978 646 Q N 0.627 120.325 119.800 -0.171 0.000 2.286 646 Q HA 0.332 4.671 4.340 -0.001 0.000 0.257 646 Q C -0.453 175.238 176.000 -0.514 0.000 0.941 646 Q CA -0.287 55.323 55.803 -0.323 0.000 0.912 646 Q CB 0.219 28.713 28.738 -0.406 0.000 1.192 646 Q HN 0.329 nan 8.270 nan 0.000 0.410 647 I N 3.037 123.338 120.570 -0.448 0.000 2.337 647 I HA 0.184 4.353 4.170 -0.001 0.000 0.285 647 I C -0.508 175.377 176.117 -0.388 0.000 1.041 647 I CA -0.207 60.776 61.300 -0.529 0.000 1.199 647 I CB 0.611 38.254 38.000 -0.595 0.000 1.370 647 I HN 0.478 nan 8.210 nan 0.000 0.470 648 M N 6.583 125.757 119.600 -0.710 0.000 2.250 648 M HA 0.550 5.029 4.480 -0.001 0.000 0.344 648 M C -0.646 175.637 176.300 -0.029 0.000 1.150 648 M CA -0.246 54.772 55.300 -0.470 0.000 1.147 648 M CB 1.201 33.169 32.600 -1.054 0.000 1.498 648 M HN 0.508 nan 8.290 nan 0.000 0.461 649 I N 3.116 123.836 120.570 0.249 0.000 2.722 649 I HA 0.683 4.852 4.170 -0.001 0.000 0.292 649 I C -1.831 174.285 176.117 -0.001 0.000 1.267 649 I CA -0.294 61.086 61.300 0.132 0.000 1.036 649 I CB 1.637 39.626 38.000 -0.019 0.000 1.281 649 I HN 0.679 nan 8.210 nan 0.000 0.423 650 K N 3.969 124.221 120.400 -0.246 0.000 2.578 650 K HA 0.558 4.878 4.320 -0.001 0.000 0.269 650 K C -1.905 174.520 176.600 -0.292 0.000 0.941 650 K CA -0.666 55.372 56.287 -0.415 0.000 0.847 650 K CB 0.705 32.582 32.500 -1.038 0.000 1.397 650 K HN 0.347 nan 8.250 nan 0.000 0.422 651 N N 1.300 119.904 118.700 -0.161 0.000 2.475 651 N HA 0.155 4.895 4.740 -0.001 0.000 0.267 651 N C -0.742 174.683 175.510 -0.142 0.000 1.169 651 N CA -0.214 52.785 53.050 -0.085 0.000 0.947 651 N CB 0.917 39.404 38.487 0.001 0.000 1.061 651 N HN 0.682 nan 8.380 nan 0.000 0.466 652 T N 3.654 118.125 114.554 -0.139 0.000 2.888 652 T HA 0.148 4.497 4.350 -0.001 0.000 0.301 652 T C -2.178 172.360 174.700 -0.269 0.000 1.001 652 T CA -0.700 61.290 62.100 -0.184 0.000 1.147 652 T CB 0.297 69.104 68.868 -0.103 0.000 0.931 652 T HN 0.266 nan 8.240 nan 0.000 0.541 653 P HA 0.152 nan 4.420 nan 0.000 0.263 653 P C -0.920 176.206 177.300 -0.291 0.000 1.195 653 P CA -0.130 62.465 63.100 -0.841 0.000 0.762 653 P CB 0.343 31.432 31.700 -1.017 0.000 0.799 654 V N 7.070 126.932 119.914 -0.086 0.000 2.304 654 V HA 0.265 4.385 4.120 -0.001 0.000 0.278 654 V C -2.105 174.160 176.094 0.286 0.000 1.018 654 V CA -2.100 60.250 62.300 0.084 0.000 0.814 654 V CB 1.349 33.206 31.823 0.058 0.000 1.021 654 V HN 0.460 nan 8.190 nan 0.000 0.440 655 P HA 0.211 nan 4.420 nan 0.000 0.266 655 P C 0.003 177.362 177.300 0.098 0.000 1.195 655 P CA 0.414 63.513 63.100 -0.001 0.000 0.768 655 P CB 0.773 32.171 31.700 -0.505 0.000 0.838 656 A N 3.110 126.034 122.820 0.175 0.000 2.450 656 A HA 0.251 4.570 4.320 -0.001 0.000 0.281 656 A C 0.104 177.785 177.584 0.161 0.000 1.372 656 A CA -0.667 51.457 52.037 0.145 0.000 0.886 656 A CB -0.333 18.736 19.000 0.116 0.000 1.462 656 A HN 0.591 nan 8.150 nan 0.000 0.514 657 N N 1.064 119.824 118.700 0.101 0.000 2.315 657 N HA 0.164 4.904 4.740 -0.001 0.000 0.270 657 N C -2.435 173.136 175.510 0.102 0.000 1.329 657 N CA -0.433 52.667 53.050 0.084 0.000 0.860 657 N CB 0.075 38.587 38.487 0.043 0.000 1.095 657 N HN 0.333 nan 8.380 nan 0.000 0.487 658 P HA 0.346 nan 4.420 nan 0.000 0.287 658 P C -2.540 174.797 177.300 0.060 0.000 1.270 658 P CA -1.310 61.877 63.100 0.146 0.000 0.844 658 P CB 0.411 32.249 31.700 0.229 0.000 1.068 659 P HA 0.180 nan 4.420 nan 0.000 0.275 659 P C 0.609 177.935 177.300 0.043 0.000 1.227 659 P CA -0.058 63.047 63.100 0.007 0.000 0.781 659 P CB 0.214 31.894 31.700 -0.033 0.000 0.906 660 T N -0.673 113.903 114.554 0.036 0.000 2.977 660 T HA -0.056 4.293 4.350 -0.001 0.000 0.271 660 T C 0.954 175.692 174.700 0.063 0.000 1.105 660 T CA 1.309 63.437 62.100 0.047 0.000 1.116 660 T CB -0.194 68.694 68.868 0.033 0.000 0.878 660 T HN 0.476 nan 8.240 nan 0.000 0.509 661 T N 0.979 115.567 114.554 0.056 0.000 2.902 661 T HA 0.475 4.824 4.350 -0.001 0.000 0.283 661 T C -0.909 173.860 174.700 0.115 0.000 1.009 661 T CA -0.969 61.177 62.100 0.078 0.000 1.051 661 T CB 0.301 69.193 68.868 0.040 0.000 0.999 661 T HN 0.138 nan 8.240 nan 0.000 0.474 662 F N 4.622 124.579 119.950 0.011 0.000 2.506 662 F HA 0.490 5.016 4.527 -0.001 0.000 0.371 662 F C 0.298 176.104 175.800 0.010 0.000 1.078 662 F CA -0.318 57.693 58.000 0.018 0.000 1.195 662 F CB 0.355 39.368 39.000 0.022 0.000 1.099 662 F HN 0.399 nan 8.300 nan 0.000 0.548 663 S N 7.576 122.886 115.700 -0.649 0.000 2.498 663 S HA 0.503 4.973 4.470 -0.001 0.000 0.317 663 S C -1.686 172.407 174.600 -0.845 0.000 1.090 663 S CA -1.369 56.441 58.200 -0.650 0.000 1.089 663 S CB 1.289 64.295 63.200 -0.322 0.000 0.997 663 S HN 0.559 nan 8.310 nan 0.000 0.470 664 P HA 0.188 nan 4.420 nan 0.000 0.222 664 P C 0.291 177.491 177.300 -0.166 0.000 1.153 664 P CA 0.254 63.113 63.100 -0.400 0.000 0.798 664 P CB -0.109 31.465 31.700 -0.211 0.000 0.796 665 A N 0.872 123.587 122.820 -0.175 0.000 2.586 665 A HA -0.065 4.255 4.320 -0.001 0.000 0.231 665 A C 0.619 178.172 177.584 -0.051 0.000 1.055 665 A CA -0.025 51.951 52.037 -0.101 0.000 0.756 665 A CB -0.417 18.508 19.000 -0.126 0.000 0.988 665 A HN 0.091 nan 8.150 nan 0.000 0.509 666 K N 0.835 121.236 120.400 0.002 0.000 2.524 666 K HA 0.012 4.332 4.320 -0.001 0.000 0.279 666 K C -0.731 175.903 176.600 0.056 0.000 0.993 666 K CA 0.256 56.587 56.287 0.073 0.000 1.030 666 K CB 0.041 32.595 32.500 0.091 0.000 0.891 666 K HN 0.485 nan 8.250 nan 0.000 0.488 667 F N 3.018 122.972 119.950 0.007 0.000 2.467 667 F HA 0.215 4.742 4.527 -0.001 0.000 0.362 667 F C 0.706 176.431 175.800 -0.124 0.000 1.090 667 F CA 0.604 58.549 58.000 -0.092 0.000 1.202 667 F CB 1.179 40.117 39.000 -0.104 0.000 1.113 667 F HN 0.667 nan 8.300 nan 0.000 0.541 668 A N 3.034 125.721 122.820 -0.222 0.000 2.474 668 A HA 0.156 4.475 4.320 -0.001 0.000 0.221 668 A C 0.511 177.980 177.584 -0.191 0.000 1.298 668 A CA 0.080 52.077 52.037 -0.067 0.000 1.008 668 A CB -0.073 18.915 19.000 -0.019 0.000 1.217 668 A HN 0.489 nan 8.150 nan 0.000 0.553 669 S N 0.722 116.180 115.700 -0.402 0.000 2.411 669 S HA 0.640 5.109 4.470 -0.001 0.000 0.304 669 S C -0.975 173.510 174.600 -0.191 0.000 1.098 669 S CA -0.251 57.820 58.200 -0.214 0.000 1.068 669 S CB -0.619 62.449 63.200 -0.220 0.000 1.032 669 S HN 0.201 nan 8.310 nan 0.000 0.511 670 F N 3.367 123.454 119.950 0.228 0.000 2.579 670 F HA 0.554 5.080 4.527 -0.001 0.000 0.324 670 F C 0.418 176.307 175.800 0.148 0.000 1.058 670 F CA -1.194 56.931 58.000 0.209 0.000 0.944 670 F CB 1.306 40.460 39.000 0.257 0.000 1.245 670 F HN 0.296 nan 8.300 nan 0.000 0.477 671 I N 1.796 122.572 120.570 0.343 0.000 2.416 671 I HA 0.116 4.286 4.170 -0.001 0.000 0.288 671 I C 0.291 176.530 176.117 0.203 0.000 1.051 671 I CA -0.390 61.035 61.300 0.209 0.000 1.375 671 I CB 0.918 39.007 38.000 0.148 0.000 1.407 671 I HN 0.593 nan 8.210 nan 0.000 0.516 672 T N 4.400 119.044 114.554 0.149 0.000 2.834 672 T HA 0.406 4.755 4.350 -0.001 0.000 0.298 672 T C -0.366 174.400 174.700 0.111 0.000 0.966 672 T CA -0.601 61.568 62.100 0.114 0.000 1.141 672 T CB 0.907 69.820 68.868 0.074 0.000 0.905 672 T HN 0.745 nan 8.240 nan 0.000 0.535 673 Q N 2.053 121.920 119.800 0.112 0.000 2.527 673 Q HA 0.540 4.879 4.340 -0.001 0.000 0.280 673 Q C -1.709 174.381 176.000 0.150 0.000 0.977 673 Q CA -1.346 54.531 55.803 0.124 0.000 0.837 673 Q CB 1.233 30.002 28.738 0.052 0.000 1.454 673 Q HN 0.868 nan 8.270 nan 0.000 0.387 674 Y N -1.018 119.262 120.300 -0.033 0.000 2.633 674 Y HA 0.890 5.440 4.550 -0.001 0.000 0.339 674 Y C -0.791 175.099 175.900 -0.017 0.000 1.045 674 Y CA -0.718 57.356 58.100 -0.042 0.000 1.098 674 Y CB 1.978 40.396 38.460 -0.071 0.000 1.296 674 Y HN 0.871 nan 8.280 nan 0.000 0.494 675 S N 0.342 116.023 115.700 -0.032 0.000 2.599 675 S HA 0.814 5.283 4.470 -0.001 0.000 0.294 675 S C -0.874 173.667 174.600 -0.098 0.000 1.094 675 S CA -0.450 57.692 58.200 -0.095 0.000 0.931 675 S CB 1.853 65.131 63.200 0.131 0.000 1.093 675 S HN 1.114 nan 8.310 nan 0.000 0.488 676 T N -0.319 113.991 114.554 -0.406 0.000 2.932 676 T HA 0.762 5.112 4.350 -0.001 0.000 0.318 676 T C -0.326 173.673 174.700 -1.168 0.000 1.265 676 T CA 0.236 61.831 62.100 -0.842 0.000 1.036 676 T CB 1.031 69.640 68.868 -0.433 0.000 1.209 676 T HN 1.688 nan 8.240 nan 0.000 0.484 677 G N 2.122 109.770 108.800 -1.920 0.000 2.489 677 G HA2 0.551 4.511 3.960 -0.001 0.000 0.305 677 G HA3 0.551 4.511 3.960 -0.001 0.000 0.305 677 G C -1.988 172.223 174.900 -1.149 0.000 1.311 677 G CA -0.668 43.729 45.100 -1.172 0.000 0.813 677 G HN 0.747 nan 8.290 nan 0.000 0.480 678 Q N -1.272 118.187 119.800 -0.568 0.000 2.215 678 Q HA 0.733 5.073 4.340 -0.001 0.000 0.256 678 Q C -0.586 175.219 176.000 -0.324 0.000 0.972 678 Q CA -0.706 54.812 55.803 -0.475 0.000 0.889 678 Q CB 2.398 30.731 28.738 -0.674 0.000 1.281 678 Q HN 0.786 nan 8.270 nan 0.000 0.456 679 V N 0.294 120.147 119.914 -0.102 0.000 2.709 679 V HA 0.798 4.918 4.120 -0.001 0.000 0.308 679 V C -1.413 174.589 176.094 -0.153 0.000 1.062 679 V CA -0.290 61.912 62.300 -0.163 0.000 0.901 679 V CB 2.267 34.099 31.823 0.015 0.000 1.003 679 V HN 0.696 nan 8.190 nan 0.000 0.425 680 S N 4.148 119.763 115.700 -0.141 0.000 2.526 680 S HA 0.877 5.347 4.470 -0.001 0.000 0.293 680 S C -1.414 173.053 174.600 -0.222 0.000 1.092 680 S CA -0.469 57.676 58.200 -0.091 0.000 0.980 680 S CB 1.708 64.971 63.200 0.105 0.000 1.048 680 S HN 0.852 nan 8.310 nan 0.000 0.483 681 V N 4.379 124.193 119.914 -0.166 0.000 2.524 681 V HA 0.477 4.596 4.120 -0.001 0.000 0.297 681 V C -0.493 175.551 176.094 -0.083 0.000 1.035 681 V CA -0.663 61.538 62.300 -0.165 0.000 0.867 681 V CB 1.589 33.211 31.823 -0.336 0.000 1.004 681 V HN 0.897 nan 8.190 nan 0.000 0.426 682 E N 5.346 125.498 120.200 -0.080 0.000 2.145 682 E HA 0.665 5.014 4.350 -0.001 0.000 0.270 682 E C -1.458 175.090 176.600 -0.087 0.000 0.906 682 E CA -0.509 55.847 56.400 -0.074 0.000 0.761 682 E CB 1.466 31.103 29.700 -0.104 0.000 1.116 682 E HN 0.658 nan 8.360 nan 0.000 0.408 683 I N 3.392 123.899 120.570 -0.104 0.000 2.509 683 I HA 0.284 4.454 4.170 -0.001 0.000 0.293 683 I C -0.242 175.667 176.117 -0.348 0.000 1.020 683 I CA -0.818 60.320 61.300 -0.271 0.000 1.088 683 I CB 2.083 39.810 38.000 -0.454 0.000 1.267 683 I HN 0.538 nan 8.210 nan 0.000 0.430 684 E N 5.388 125.333 120.200 -0.425 0.000 2.175 684 E HA 0.353 4.703 4.350 -0.001 0.000 0.278 684 E C -1.946 174.385 176.600 -0.449 0.000 0.969 684 E CA -0.616 55.609 56.400 -0.293 0.000 0.796 684 E CB 1.200 30.798 29.700 -0.169 0.000 1.104 684 E HN 0.393 nan 8.360 nan 0.000 0.395 685 W N 2.885 124.141 121.300 -0.073 0.000 2.587 685 W HA 0.305 4.965 4.660 -0.001 0.000 0.324 685 W C -0.091 176.465 176.519 0.063 0.000 1.040 685 W CA -0.756 56.592 57.345 0.006 0.000 1.222 685 W CB 1.206 30.726 29.460 0.101 0.000 1.381 685 W HN 0.462 nan 8.180 nan 0.000 0.483 686 E N 3.353 123.733 120.200 0.301 0.000 2.227 686 E HA 0.463 4.812 4.350 -0.001 0.000 0.282 686 E C -0.986 175.960 176.600 0.577 0.000 1.015 686 E CA -0.400 56.202 56.400 0.335 0.000 0.823 686 E CB 0.771 30.610 29.700 0.230 0.000 1.081 686 E HN 0.458 nan 8.360 nan 0.000 0.396 687 L N 3.681 125.182 121.223 0.462 0.000 2.325 687 L HA 0.361 4.700 4.340 -0.001 0.000 0.278 687 L C -0.059 176.922 176.870 0.185 0.000 1.023 687 L CA -0.740 54.345 54.840 0.409 0.000 0.811 687 L CB 1.669 43.903 42.059 0.292 0.000 1.249 687 L HN 0.548 nan 8.230 nan 0.000 0.431 688 Q N 3.219 122.995 119.800 -0.041 0.000 2.368 688 Q HA 0.226 4.566 4.340 -0.001 0.000 0.256 688 Q C -0.818 175.112 176.000 -0.116 0.000 0.980 688 Q CA -0.780 54.824 55.803 -0.331 0.000 0.887 688 Q CB 1.116 29.417 28.738 -0.729 0.000 1.221 688 Q HN 0.341 nan 8.270 nan 0.000 0.458 689 K N 2.328 122.635 120.400 -0.155 0.000 2.258 689 K HA 0.065 4.384 4.320 -0.001 0.000 0.264 689 K C -0.159 176.146 176.600 -0.492 0.000 1.007 689 K CA -0.087 56.069 56.287 -0.217 0.000 0.941 689 K CB 0.925 33.319 32.500 -0.176 0.000 0.966 689 K HN 0.674 nan 8.250 nan 0.000 0.480 690 E N 2.218 122.035 120.200 -0.638 0.000 2.316 690 E HA -0.033 4.317 4.350 -0.001 0.000 0.275 690 E C -0.879 175.118 176.600 -1.004 0.000 1.029 690 E CA -0.007 55.604 56.400 -1.315 0.000 0.871 690 E CB 0.447 29.573 29.700 -0.958 0.000 1.022 690 E HN 0.411 nan 8.360 nan 0.000 0.418 691 N N 2.983 120.981 118.700 -1.170 0.000 2.750 691 N HA 0.100 4.839 4.740 -0.001 0.000 0.253 691 N C -1.922 173.468 175.510 -0.199 0.000 1.408 691 N CA -0.282 52.483 53.050 -0.476 0.000 0.780 691 N CB 0.961 39.277 38.487 -0.285 0.000 1.191 691 N HN 0.203 nan 8.380 nan 0.000 0.511 692 S N 1.035 116.644 115.700 -0.153 0.000 2.503 692 S HA 0.462 4.932 4.470 -0.001 0.000 0.301 692 S C 0.173 174.802 174.600 0.048 0.000 1.087 692 S CA -0.591 57.658 58.200 0.081 0.000 1.042 692 S CB 0.701 64.027 63.200 0.210 0.000 1.043 692 S HN 0.302 nan 8.310 nan 0.000 0.489 693 K N 2.150 122.605 120.400 0.092 0.000 2.440 693 K HA 0.151 4.470 4.320 -0.001 0.000 0.206 693 K C 0.268 176.950 176.600 0.137 0.000 1.025 693 K CA -0.249 56.095 56.287 0.095 0.000 1.135 693 K CB -0.064 32.491 32.500 0.092 0.000 0.856 693 K HN 0.548 nan 8.250 nan 0.000 0.502 694 R N 0.988 121.569 120.500 0.135 0.000 2.502 694 R HA -0.110 4.230 4.340 -0.001 0.000 0.292 694 R C 1.070 177.471 176.300 0.168 0.000 0.998 694 R CA 0.246 56.439 56.100 0.154 0.000 1.056 694 R CB 0.038 30.421 30.300 0.138 0.000 0.939 694 R HN 0.287 nan 8.270 nan 0.000 0.411 695 W N 5.812 127.130 121.300 0.031 0.000 2.441 695 W HA -0.076 4.584 4.660 -0.001 0.000 0.302 695 W C -0.256 176.276 176.519 0.022 0.000 1.191 695 W CA 0.948 58.306 57.345 0.021 0.000 1.327 695 W CB -0.113 29.358 29.460 0.018 0.000 1.128 695 W HN 0.747 nan 8.180 nan 0.000 0.522 696 N N 1.945 120.759 118.700 0.189 0.000 2.503 696 N HA 0.147 4.887 4.740 -0.001 0.000 0.267 696 N C -2.739 172.778 175.510 0.011 0.000 1.214 696 N CA -1.300 51.800 53.050 0.083 0.000 0.959 696 N CB -0.393 38.190 38.487 0.159 0.000 1.142 696 N HN -0.133 nan 8.380 nan 0.000 0.455 697 P HA 0.059 nan 4.420 nan 0.000 0.267 697 P C -0.242 177.079 177.300 0.035 0.000 1.200 697 P CA 0.313 63.407 63.100 -0.010 0.000 0.772 697 P CB 0.550 32.242 31.700 -0.014 0.000 0.855 698 E N 1.213 121.443 120.200 0.050 0.000 2.254 698 E HA 0.381 4.730 4.350 -0.001 0.000 0.261 698 E C 0.236 176.892 176.600 0.094 0.000 1.051 698 E CA -1.055 55.396 56.400 0.084 0.000 0.902 698 E CB 0.918 30.689 29.700 0.117 0.000 1.168 698 E HN 0.441 nan 8.360 nan 0.000 0.423 699 I N -0.953 119.684 120.570 0.113 0.000 2.529 699 I HA 0.154 4.324 4.170 -0.001 0.000 0.284 699 I C -0.349 175.927 176.117 0.264 0.000 1.082 699 I CA -0.364 61.021 61.300 0.142 0.000 1.406 699 I CB 0.535 38.592 38.000 0.094 0.000 1.405 699 I HN 0.181 nan 8.210 nan 0.000 0.548 700 Q N 4.874 124.833 119.800 0.265 0.000 2.387 700 Q HA 0.306 4.646 4.340 -0.001 0.000 0.273 700 Q C -1.342 174.844 176.000 0.310 0.000 1.089 700 Q CA -0.807 55.158 55.803 0.270 0.000 0.824 700 Q CB 2.669 31.470 28.738 0.106 0.000 1.367 700 Q HN 0.796 nan 8.270 nan 0.000 0.443 701 Y N 0.835 121.089 120.300 -0.077 0.000 2.346 701 Y HA 0.300 4.850 4.550 -0.001 0.000 0.330 701 Y C -0.117 175.787 175.900 0.007 0.000 1.178 701 Y CA 0.850 58.908 58.100 -0.069 0.000 1.331 701 Y CB 0.969 39.166 38.460 -0.438 0.000 1.253 701 Y HN 0.620 nan 8.280 nan 0.000 0.529 702 T N 3.610 117.797 114.554 -0.611 0.000 2.840 702 T HA 0.443 4.793 4.350 -0.001 0.000 0.317 702 T C -1.225 173.236 174.700 -0.399 0.000 1.401 702 T CA -0.746 61.177 62.100 -0.294 0.000 1.028 702 T CB 0.842 69.657 68.868 -0.089 0.000 1.317 702 T HN 0.625 nan 8.240 nan 0.000 0.495 703 S N 1.863 117.510 115.700 -0.088 0.000 2.632 703 S HA 0.407 4.877 4.470 -0.001 0.000 0.271 703 S C 0.055 174.675 174.600 0.033 0.000 1.260 703 S CA -0.699 57.502 58.200 0.002 0.000 1.010 703 S CB 0.282 63.549 63.200 0.112 0.000 0.965 703 S HN 0.731 nan 8.310 nan 0.000 0.534 704 N N 1.719 120.435 118.700 0.027 0.000 2.416 704 N HA 0.072 4.811 4.740 -0.001 0.000 0.265 704 N C 0.610 176.131 175.510 0.018 0.000 1.195 704 N CA -0.154 52.902 53.050 0.011 0.000 0.943 704 N CB 0.182 38.636 38.487 -0.056 0.000 1.115 704 N HN 0.738 nan 8.380 nan 0.000 0.481 705 Y N 1.011 121.311 120.300 -0.000 0.000 2.574 705 Y HA 0.049 4.599 4.550 -0.001 0.000 0.294 705 Y C 0.063 175.967 175.900 0.007 0.000 1.142 705 Y CA -0.406 57.698 58.100 0.006 0.000 1.314 705 Y CB -0.236 38.226 38.460 0.003 0.000 0.991 705 Y HN 0.314 nan 8.280 nan 0.000 0.555 706 N N 2.822 121.153 118.700 -0.615 0.000 2.441 706 N HA -0.064 4.675 4.740 -0.001 0.000 0.251 706 N C -0.365 175.025 175.510 -0.200 0.000 1.242 706 N CA -0.001 52.746 53.050 -0.504 0.000 0.898 706 N CB 0.557 38.788 38.487 -0.427 0.000 1.100 706 N HN 0.367 nan 8.380 nan 0.000 0.443 707 K N 0.873 121.190 120.400 -0.138 0.000 2.437 707 K HA -0.036 4.284 4.320 -0.001 0.000 0.277 707 K C -0.223 176.337 176.600 -0.067 0.000 1.073 707 K CA 0.421 56.667 56.287 -0.069 0.000 1.105 707 K CB 0.168 32.639 32.500 -0.048 0.000 0.881 707 K HN 0.441 nan 8.250 nan 0.000 0.475 708 S N 2.746 118.418 115.700 -0.046 0.000 2.634 708 S HA 0.351 4.821 4.470 -0.001 0.000 0.296 708 S C 0.861 175.443 174.600 -0.030 0.000 1.104 708 S CA -1.044 57.130 58.200 -0.042 0.000 0.920 708 S CB 1.569 64.746 63.200 -0.039 0.000 1.111 708 S HN 0.359 nan 8.310 nan 0.000 0.493 709 V N 2.710 122.604 119.914 -0.033 0.000 2.238 709 V HA 0.022 4.141 4.120 -0.001 0.000 0.235 709 V C 0.720 176.798 176.094 -0.026 0.000 1.037 709 V CA 1.386 63.669 62.300 -0.030 0.000 0.991 709 V CB -0.832 30.970 31.823 -0.036 0.000 0.638 709 V HN 0.824 nan 8.190 nan 0.000 0.457 710 N N -0.746 117.934 118.700 -0.034 0.000 2.466 710 N HA 0.479 5.218 4.740 -0.001 0.000 0.294 710 N C -1.031 174.466 175.510 -0.023 0.000 1.129 710 N CA -0.613 52.417 53.050 -0.033 0.000 0.931 710 N CB 2.061 40.515 38.487 -0.056 0.000 1.193 710 N HN 0.079 nan 8.380 nan 0.000 0.500 711 V N 1.395 121.307 119.914 -0.003 0.000 2.583 711 V HA 0.041 4.161 4.120 -0.001 0.000 0.287 711 V C -0.068 176.043 176.094 0.028 0.000 1.051 711 V CA -0.397 61.922 62.300 0.030 0.000 1.010 711 V CB 0.825 32.685 31.823 0.062 0.000 0.988 711 V HN 0.610 nan 8.190 nan 0.000 0.478 712 D N 4.248 124.688 120.400 0.068 0.000 2.493 712 D HA 0.183 4.823 4.640 -0.001 0.000 0.240 712 D C 0.109 176.543 176.300 0.223 0.000 1.142 712 D CA 0.594 54.636 54.000 0.069 0.000 0.872 712 D CB -0.049 40.877 40.800 0.211 0.000 1.173 712 D HN 0.476 nan 8.370 nan 0.000 0.467 713 F N -0.151 119.761 119.950 -0.064 0.000 2.781 713 F HA -0.263 4.264 4.527 -0.001 0.000 0.350 713 F C 0.321 176.148 175.800 0.044 0.000 1.048 713 F CA 0.344 58.288 58.000 -0.093 0.000 1.134 713 F CB -1.765 37.297 39.000 0.103 0.000 1.440 713 F HN 0.162 nan 8.300 nan 0.000 0.799 714 T N -0.836 113.681 114.554 -0.061 0.000 2.792 714 T HA 0.686 5.036 4.350 -0.001 0.000 0.303 714 T C -0.181 174.470 174.700 -0.081 0.000 1.310 714 T CA -0.427 61.714 62.100 0.069 0.000 1.007 714 T CB 2.146 71.050 68.868 0.059 0.000 1.335 714 T HN 0.364 nan 8.240 nan 0.000 0.504 715 V N 0.385 120.256 119.914 -0.071 0.000 2.953 715 V HA 0.705 4.825 4.120 -0.001 0.000 0.304 715 V C 0.039 176.085 176.094 -0.080 0.000 1.073 715 V CA -0.631 61.593 62.300 -0.127 0.000 1.064 715 V CB 0.646 32.369 31.823 -0.168 0.000 1.047 715 V HN 0.989 nan 8.190 nan 0.000 0.478 716 D N 1.003 121.357 120.400 -0.077 0.000 2.589 716 D HA 0.293 4.932 4.640 -0.001 0.000 0.268 716 D C 1.421 177.699 176.300 -0.036 0.000 1.182 716 D CA 0.256 54.221 54.000 -0.057 0.000 1.087 716 D CB -0.008 40.752 40.800 -0.067 0.000 1.186 716 D HN 0.671 nan 8.370 nan 0.000 0.620 717 T N -2.145 112.391 114.554 -0.030 0.000 2.737 717 T HA -0.243 4.107 4.350 -0.001 0.000 0.269 717 T C 0.828 175.519 174.700 -0.015 0.000 1.040 717 T CA 1.667 63.755 62.100 -0.019 0.000 1.142 717 T CB -0.977 67.879 68.868 -0.019 0.000 0.861 717 T HN 0.605 nan 8.240 nan 0.000 0.456 718 N N 0.864 119.553 118.700 -0.019 0.000 2.380 718 N HA 0.440 5.180 4.740 -0.001 0.000 0.255 718 N C 0.689 176.192 175.510 -0.013 0.000 1.158 718 N CA -0.084 52.958 53.050 -0.013 0.000 0.878 718 N CB 0.080 38.560 38.487 -0.013 0.000 1.138 718 N HN 0.577 nan 8.380 nan 0.000 0.509 719 G N 0.018 108.807 108.800 -0.019 0.000 2.381 719 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.281 719 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.281 719 G C -0.761 174.123 174.900 -0.028 0.000 0.984 719 G CA 0.132 45.219 45.100 -0.021 0.000 1.339 719 G HN 0.355 nan 8.290 nan 0.000 0.485 720 V N 2.853 122.734 119.914 -0.054 0.000 2.532 720 V HA 0.366 4.485 4.120 -0.001 0.000 0.294 720 V C -0.041 176.003 176.094 -0.083 0.000 1.036 720 V CA -1.329 60.943 62.300 -0.047 0.000 0.876 720 V CB 1.518 33.317 31.823 -0.040 0.000 1.012 720 V HN 0.609 nan 8.190 nan 0.000 0.432 721 Y N 4.514 124.671 120.300 -0.238 0.000 2.511 721 Y HA 0.492 5.042 4.550 -0.001 0.000 0.332 721 Y C 0.686 176.487 175.900 -0.165 0.000 1.177 721 Y CA 0.307 58.231 58.100 -0.294 0.000 1.422 721 Y CB 1.059 39.278 38.460 -0.401 0.000 1.271 721 Y HN 0.734 nan 8.280 nan 0.000 0.550 722 S N 4.399 119.590 115.700 -0.848 0.000 2.572 722 S HA 0.442 4.911 4.470 -0.001 0.000 0.274 722 S C -1.600 172.500 174.600 -0.834 0.000 1.150 722 S CA -1.189 56.627 58.200 -0.640 0.000 0.944 722 S CB 1.374 64.348 63.200 -0.376 0.000 1.071 722 S HN 0.683 nan 8.310 nan 0.000 0.479 723 E N 2.996 122.810 120.200 -0.643 0.000 2.130 723 E HA 0.255 4.605 4.350 -0.001 0.000 0.284 723 E C -1.907 174.288 176.600 -0.675 0.000 1.018 723 E CA -2.088 53.870 56.400 -0.737 0.000 0.817 723 E CB 0.735 30.282 29.700 -0.255 0.000 1.078 723 E HN 0.369 nan 8.360 nan 0.000 0.396 724 P HA -0.169 nan 4.420 nan 0.000 0.214 724 P C -0.009 177.126 177.300 -0.275 0.000 1.162 724 P CA 1.322 64.121 63.100 -0.501 0.000 0.879 724 P CB 0.227 31.633 31.700 -0.490 0.000 0.786 725 R N -2.019 118.362 120.500 -0.198 0.000 2.808 725 R HA 0.589 4.929 4.340 -0.001 0.000 0.272 725 R C -3.216 173.134 176.300 0.083 0.000 0.995 725 R CA -2.369 53.734 56.100 0.006 0.000 0.917 725 R CB 0.430 30.798 30.300 0.114 0.000 1.217 725 R HN -0.230 nan 8.270 nan 0.000 0.471 726 P HA 0.170 nan 4.420 nan 0.000 0.271 726 P C -0.596 176.832 177.300 0.214 0.000 1.216 726 P CA -0.259 62.867 63.100 0.044 0.000 0.771 726 P CB 0.482 32.177 31.700 -0.009 0.000 0.864 727 I N 2.689 123.407 120.570 0.246 0.000 2.339 727 I HA 0.309 4.479 4.170 -0.001 0.000 0.290 727 I C 1.272 177.747 176.117 0.596 0.000 0.994 727 I CA -0.264 61.243 61.300 0.345 0.000 1.191 727 I CB 0.854 38.909 38.000 0.091 0.000 1.343 727 I HN 0.415 nan 8.210 nan 0.000 0.458 728 G N 3.630 112.815 108.800 0.642 0.000 2.468 728 G HA2 0.244 4.203 3.960 -0.001 0.000 0.264 728 G HA3 0.244 4.203 3.960 -0.001 0.000 0.264 728 G C 0.511 175.638 174.900 0.378 0.000 1.460 728 G CA 0.302 45.684 45.100 0.469 0.000 1.060 728 G HN 0.571 nan 8.290 nan 0.000 0.543 729 T N -1.615 113.092 114.554 0.256 0.000 3.073 729 T HA 0.170 4.520 4.350 -0.001 0.000 0.264 729 T C 0.797 175.636 174.700 0.232 0.000 0.893 729 T CA -0.283 61.915 62.100 0.162 0.000 0.863 729 T CB 0.108 69.038 68.868 0.104 0.000 1.247 729 T HN 0.320 nan 8.240 nan 0.000 0.546 730 R N 1.289 121.915 120.500 0.210 0.000 2.825 730 R HA 0.341 4.681 4.340 -0.001 0.000 0.261 730 R C -0.346 176.006 176.300 0.087 0.000 1.341 730 R CA -0.168 55.978 56.100 0.077 0.000 1.353 730 R CB 0.199 30.442 30.300 -0.094 0.000 1.191 730 R HN 0.337 nan 8.270 nan 0.000 0.590 731 Y N 0.215 120.542 120.300 0.044 0.000 2.559 731 Y HA 0.181 4.731 4.550 -0.001 0.000 0.279 731 Y C 0.954 176.904 175.900 0.085 0.000 1.117 731 Y CA 0.020 58.164 58.100 0.073 0.000 1.263 731 Y CB 0.582 39.098 38.460 0.092 0.000 1.230 731 Y HN 0.210 nan 8.280 nan 0.000 0.528 732 L N 0.837 122.225 121.223 0.275 0.000 2.439 732 L HA 0.320 4.660 4.340 -0.001 0.000 0.261 732 L C 0.443 177.388 176.870 0.125 0.000 1.153 732 L CA -0.399 54.613 54.840 0.286 0.000 0.808 732 L CB 0.917 43.299 42.059 0.538 0.000 1.126 732 L HN 0.081 nan 8.230 nan 0.000 0.460 733 T N -0.040 114.582 114.554 0.112 0.000 2.829 733 T HA 0.553 4.903 4.350 -0.001 0.000 0.280 733 T C -0.514 174.068 174.700 -0.196 0.000 0.999 733 T CA -0.899 61.182 62.100 -0.032 0.000 0.983 733 T CB 2.212 71.108 68.868 0.048 0.000 0.968 733 T HN 0.643 nan 8.240 nan 0.000 0.446 734 R N 2.073 122.375 120.500 -0.331 0.000 2.854 734 R HA 0.511 4.851 4.340 -0.001 0.000 0.271 734 R C -0.884 175.370 176.300 -0.077 0.000 0.994 734 R CA -0.699 55.160 56.100 -0.402 0.000 0.945 734 R CB 1.399 31.073 30.300 -1.042 0.000 1.194 734 R HN 0.761 nan 8.270 nan 0.000 0.476 735 N N 1.030 119.722 118.700 -0.013 0.000 2.463 735 N HA 0.284 5.024 4.740 -0.001 0.000 0.270 735 N C -0.137 175.437 175.510 0.107 0.000 1.205 735 N CA -0.393 52.697 53.050 0.066 0.000 0.974 735 N CB 0.574 39.090 38.487 0.047 0.000 1.197 735 N HN 0.364 nan 8.380 nan 0.000 0.504 736 L N 0.000 121.254 121.223 0.051 0.000 2.949 736 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 736 L CA 0.000 54.793 54.840 -0.078 0.000 0.813 736 L CB 0.000 41.947 42.059 -0.186 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502