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_Q 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 -0.996 176.607 177.584 0.032 0.000 1.102 218 A CA -0.575 51.485 52.037 0.040 0.000 0.737 218 A CB 1.690 20.711 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 54.239 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 0.669 nan 8.370 nan 0.000 0.631 220 G N -0.748 108.068 108.800 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 0.549 120.474 119.914 0.018 0.000 2.255 221 V HA 0.033 4.153 4.120 -0.001 0.000 0.243 221 V C 2.526 178.628 176.094 0.014 0.000 1.038 221 V CA 2.119 64.428 62.300 0.015 0.000 1.008 221 V CB -0.650 31.178 31.823 0.009 0.000 0.645 221 V HN 0.760 nan 8.190 nan 0.000 0.449 222 G N 0.751 109.558 108.800 0.011 0.000 3.530 222 G HA2 0.148 4.108 3.960 -0.001 0.000 0.269 222 G HA3 0.148 4.108 3.960 -0.001 0.000 0.269 222 G C -0.030 174.878 174.900 0.014 0.000 1.314 222 G CA 0.021 45.127 45.100 0.010 0.000 1.441 222 G HN 0.472 nan 8.290 nan 0.000 0.595 223 N N -0.016 118.696 118.700 0.021 0.000 2.519 223 N HA 0.266 5.005 4.740 -0.001 0.000 0.291 223 N C -0.057 175.476 175.510 0.038 0.000 1.107 223 N CA -0.524 52.541 53.050 0.025 0.000 0.904 223 N CB 1.403 39.903 38.487 0.022 0.000 1.500 223 N HN 0.036 nan 8.380 nan 0.000 0.510 224 S N 1.544 117.269 115.700 0.043 0.000 2.549 224 S HA 0.084 4.554 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 -0.222 58.020 58.200 0.070 0.000 1.062 224 S CB 0.664 63.908 63.200 0.075 0.000 0.865 224 S HN 0.612 nan 8.310 nan 0.000 0.498 225 S N 1.113 116.885 115.700 0.121 0.000 2.618 225 S HA 0.581 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 -0.696 62.597 63.200 0.155 0.000 0.778 225 S HN 1.544 nan 8.310 nan 0.000 0.459 226 G N 0.361 109.170 108.800 0.014 0.000 2.328 226 G HA2 0.324 4.283 3.960 -0.001 0.000 0.299 226 G HA3 0.324 4.283 3.960 -0.001 0.000 0.299 226 G C -1.900 172.900 174.900 -0.167 0.000 1.435 226 G CA -1.073 43.851 45.100 -0.294 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 -0.312 0.000 2.545 227 N HA 0.465 5.205 4.740 -0.001 0.000 0.289 227 N C -1.008 174.407 175.510 -0.158 0.000 1.279 227 N CA -0.849 52.094 53.050 -0.179 0.000 0.824 227 N CB 2.206 40.516 38.487 -0.294 0.000 1.395 227 N HN 0.532 nan 8.380 nan 0.000 0.526 228 W N 2.579 123.727 121.300 -0.253 0.000 2.367 228 W HA 0.189 4.848 4.660 -0.001 0.000 0.329 228 W C -1.054 175.295 176.519 -0.284 0.000 1.066 228 W CA 0.027 57.297 57.345 -0.126 0.000 1.435 228 W CB -0.089 29.341 29.460 -0.049 0.000 1.296 228 W HN 0.478 nan 8.180 nan 0.000 0.401 229 H N 5.318 124.293 119.070 -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 30.658 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 0.002 0.000 2.437 230 C HA 0.387 4.846 4.460 -0.001 0.000 0.307 230 C C -0.543 174.500 174.990 0.090 0.000 1.093 230 C CA -0.277 58.747 59.018 0.010 0.000 1.463 230 C CB -0.706 27.096 27.740 0.103 0.000 1.926 230 C HN 0.874 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 -1.289 175.012 176.300 0.002 0.000 1.266 231 D CA 0.179 54.208 54.000 0.048 0.000 0.830 231 D CB 2.294 43.134 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 -1.861 172.723 174.600 -0.026 0.000 1.160 232 S CA -0.811 57.347 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 1.421 121.160 119.800 -0.100 0.000 2.416 233 Q HA 0.747 5.086 4.340 -0.001 0.000 0.281 233 Q C -1.864 174.087 176.000 -0.082 0.000 1.067 233 Q CA -0.502 55.317 55.803 0.027 0.000 0.809 233 Q CB 0.486 29.268 28.738 0.073 0.000 1.418 233 Q HN 0.743 nan 8.270 nan 0.000 0.411 234 W N 1.414 122.733 121.300 0.031 0.000 2.512 234 W HA 0.578 5.237 4.660 -0.001 0.000 0.335 234 W C -0.061 176.475 176.519 0.028 0.000 1.088 234 W CA -0.777 56.590 57.345 0.035 0.000 1.236 234 W CB 1.011 30.486 29.460 0.025 0.000 1.307 234 W HN 0.486 nan 8.180 nan 0.000 0.567 235 L N 3.295 124.659 121.223 0.235 0.000 3.122 235 L HA 0.244 4.584 4.340 -0.001 0.000 0.274 235 L C 1.624 178.578 176.870 0.139 0.000 1.222 235 L CA 0.720 55.646 54.840 0.145 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 2.412 236 G HA2 -0.434 3.526 3.960 -0.001 0.000 0.252 236 G HA3 -0.434 3.526 3.960 -0.001 0.000 0.252 236 G C 0.939 175.909 174.900 0.116 0.000 1.038 236 G CA 1.108 46.285 45.100 0.129 0.000 0.628 236 G HN 0.396 nan 8.290 nan 0.000 0.531 237 D N 0.023 120.494 120.400 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 -1.605 118.991 120.500 0.159 0.000 2.741 238 R HA 0.574 4.914 4.340 -0.001 0.000 0.276 238 R C -2.039 174.321 176.300 0.102 0.000 1.028 238 R CA -0.993 55.201 56.100 0.156 0.000 0.865 238 R CB 1.045 31.411 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 -1.602 174.441 176.094 -0.084 0.000 1.077 239 V CA -0.867 61.301 62.300 -0.220 0.000 0.910 239 V CB 1.939 33.319 31.823 -0.739 0.000 1.008 239 V HN 0.678 nan 8.190 nan 0.000 0.424 240 I N 5.713 126.185 120.570 -0.164 0.000 2.362 240 I HA 0.539 4.709 4.170 -0.001 0.000 0.289 240 I C 0.405 176.440 176.117 -0.137 0.000 0.994 240 I CA 0.016 61.265 61.300 -0.085 0.000 1.158 240 I CB 2.058 40.009 38.000 -0.082 0.000 1.315 240 I HN 0.792 nan 8.210 nan 0.000 0.451 241 T N 1.446 115.957 114.554 -0.071 0.000 2.771 241 T HA 0.724 5.074 4.350 -0.001 0.000 0.281 241 T C -0.126 174.552 174.700 -0.037 0.000 0.982 241 T CA -0.633 61.397 62.100 -0.115 0.000 0.978 241 T CB 1.023 69.761 68.868 -0.217 0.000 0.930 241 T HN 0.475 nan 8.240 nan 0.000 0.447 242 T N 2.441 116.968 114.554 -0.045 0.000 2.829 242 T HA 0.675 5.025 4.350 -0.001 0.000 0.280 242 T C -0.534 174.139 174.700 -0.045 0.000 0.999 242 T CA -0.807 61.269 62.100 -0.040 0.000 0.983 242 T CB 1.640 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 1.606 117.263 115.700 -0.071 0.000 2.619 243 S HA 0.661 5.131 4.470 -0.001 0.000 0.280 243 S C -0.904 173.564 174.600 -0.221 0.000 1.150 243 S CA -0.555 57.573 58.200 -0.119 0.000 0.978 243 S CB 0.973 64.122 63.200 -0.085 0.000 1.041 243 S HN 0.712 nan 8.310 nan 0.000 0.485 244 T N 5.429 119.734 114.554 -0.414 0.000 2.863 244 T HA 0.708 5.058 4.350 -0.001 0.000 0.285 244 T C -0.805 173.534 174.700 -0.602 0.000 1.009 244 T CA -0.946 60.745 62.100 -0.680 0.000 0.989 244 T CB 1.140 69.184 68.868 -1.373 0.000 1.004 244 T HN 0.486 nan 8.240 nan 0.000 0.455 245 R N 1.013 121.371 120.500 -0.236 0.000 2.774 245 R HA 0.603 4.943 4.340 -0.001 0.000 0.272 245 R C -0.920 175.566 176.300 0.310 0.000 1.000 245 R CA -0.811 55.398 56.100 0.181 0.000 0.906 245 R CB 1.650 32.145 30.300 0.325 0.000 1.227 245 R HN 0.575 nan 8.270 nan 0.000 0.468 246 T N 2.709 117.492 114.554 0.382 0.000 2.837 246 T HA 0.544 4.893 4.350 -0.001 0.000 0.285 246 T C -0.294 174.474 174.700 0.114 0.000 0.984 246 T CA -0.560 61.636 62.100 0.160 0.000 1.049 246 T CB 0.639 69.564 68.868 0.094 0.000 0.947 246 T HN 0.462 nan 8.240 nan 0.000 0.472 247 W N 0.563 121.792 121.300 -0.119 0.000 2.864 247 W HA 0.820 5.480 4.660 -0.001 0.000 0.343 247 W C -1.442 174.902 176.519 -0.292 0.000 1.109 247 W CA -1.691 55.350 57.345 -0.507 0.000 1.192 247 W CB 1.352 30.501 29.460 -0.518 0.000 1.426 247 W HN 0.736 nan 8.180 nan 0.000 0.529 248 A N 2.944 125.763 122.820 -0.002 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 -0.790 51.304 52.037 0.094 0.000 0.743 248 A CB 2.002 21.009 19.000 0.011 0.000 1.258 248 A HN 0.692 nan 8.150 nan 0.000 0.429 249 L N 3.677 125.069 121.223 0.282 0.000 2.404 249 L HA 0.672 5.012 4.340 -0.001 0.000 0.272 249 L C -2.645 174.277 176.870 0.088 0.000 0.980 249 L CA -1.557 53.385 54.840 0.169 0.000 0.836 249 L CB 2.128 44.314 42.059 0.211 0.000 1.238 249 L HN 0.451 nan 8.230 nan 0.000 0.408 250 P HA 0.381 nan 4.420 nan 0.000 0.312 250 P C -1.034 176.104 177.300 -0.271 0.000 1.308 250 P CA -0.384 62.577 63.100 -0.232 0.000 0.743 250 P CB 0.574 31.969 31.700 -0.508 0.000 1.364 251 T N 0.131 114.495 114.554 -0.318 0.000 2.929 251 T HA 0.356 4.705 4.350 -0.001 0.000 0.331 251 T C -0.491 173.991 174.700 -0.363 0.000 1.120 251 T CA -0.041 61.863 62.100 -0.326 0.000 0.973 251 T CB -0.990 67.644 68.868 -0.391 0.000 1.036 251 T HN 0.108 nan 8.240 nan 0.000 0.502 252 Y N 2.144 122.344 120.300 -0.167 0.000 2.397 252 Y HA 0.125 4.674 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 0.037 58.065 58.100 -0.120 0.000 1.391 252 Y CB 0.306 38.725 38.460 -0.068 0.000 1.293 252 Y HN 0.693 nan 8.280 nan 0.000 0.557 253 N N 1.726 120.483 118.700 0.096 0.000 2.690 253 N HA -0.411 4.328 4.740 -0.001 0.000 0.249 253 N C -0.192 175.309 175.510 -0.015 0.000 1.125 253 N CA 0.808 53.881 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 0.785 nan 8.380 nan 0.000 0.571 254 N N -0.061 118.568 118.700 -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 -1.731 36.752 38.487 -0.007 0.000 1.005 254 N HN 0.764 nan 8.380 nan 0.000 0.550 255 H N -2.870 116.153 119.070 -0.078 0.000 2.899 255 H HA -0.189 4.367 4.556 -0.001 0.000 0.282 255 H C -0.181 175.147 175.328 0.000 0.000 1.198 255 H CA 1.125 57.094 56.048 -0.133 0.000 1.140 255 H CB -1.206 28.339 29.762 -0.361 0.000 1.317 255 H HN 0.302 nan 8.280 nan 0.000 0.375 256 L N 0.402 121.695 121.223 0.117 0.000 2.362 256 L HA 0.445 4.784 4.340 -0.001 0.000 0.271 256 L C -0.155 176.808 176.870 0.156 0.000 1.002 256 L CA -1.009 53.947 54.840 0.193 0.000 0.818 256 L CB 1.216 43.383 42.059 0.180 0.000 1.298 256 L HN 0.030 nan 8.230 nan 0.000 0.420 257 Y N 2.245 122.689 120.300 0.239 0.000 2.404 257 Y HA 0.291 4.841 4.550 -0.001 0.000 0.344 257 Y C -0.003 176.038 175.900 0.235 0.000 0.995 257 Y CA -0.213 58.060 58.100 0.289 0.000 1.201 257 Y CB 0.840 39.537 38.460 0.395 0.000 1.151 257 Y HN 0.298 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 -0.686 175.999 176.600 0.142 0.000 0.940 258 K CA -1.025 55.372 56.287 0.184 0.000 0.811 258 K CB 1.876 34.429 32.500 0.089 0.000 1.120 258 K HN 0.591 nan 8.250 nan 0.000 0.428 259 Q N 4.762 124.586 119.800 0.041 0.000 2.296 259 Q HA 0.247 4.586 4.340 -0.001 0.000 0.262 259 Q C -0.646 175.117 176.000 -0.395 0.000 0.981 259 Q CA -0.305 55.293 55.803 -0.341 0.000 0.905 259 Q CB 0.418 28.980 28.738 -0.294 0.000 1.186 259 Q HN 0.631 nan 8.270 nan 0.000 0.399 260 I N 0.727 120.927 120.570 -0.615 0.000 2.740 260 I HA 0.822 4.991 4.170 -0.001 0.000 0.303 260 I C -0.655 175.060 176.117 -0.670 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 2.162 117.535 115.700 -0.545 0.000 2.724 261 S HA 0.529 4.999 4.470 -0.001 0.000 0.278 261 S C -0.567 173.640 174.600 -0.654 0.000 1.190 261 S CA -0.333 57.439 58.200 -0.714 0.000 0.860 261 S CB 0.803 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 0.961 116.407 115.700 -0.423 0.000 2.601 262 S HA 0.473 4.942 4.470 -0.001 0.000 0.271 262 S C -0.083 174.552 174.600 0.058 0.000 1.305 262 S CA -0.579 57.624 58.200 0.005 0.000 1.022 262 S CB 0.552 63.902 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 4.408 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 0.049 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 0.666 58.900 58.200 0.056 0.000 1.721 264 S CB -0.932 62.285 63.200 0.029 0.000 1.330 264 S HN 0.820 nan 8.310 nan 0.000 0.623 265 G N 1.860 110.723 108.800 0.105 0.000 2.248 265 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.263 265 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.263 265 G C 0.590 175.500 174.900 0.017 0.000 1.082 265 G CA 0.085 45.233 45.100 0.079 0.000 0.863 265 G HN 0.897 nan 8.290 nan 0.000 0.495 266 A N -1.207 121.602 122.820 -0.019 0.000 1.924 266 A HA 0.766 5.085 4.320 -0.001 0.000 0.211 266 A C 1.313 178.829 177.584 -0.113 0.000 1.198 266 A CA 1.879 53.883 52.037 -0.055 0.000 0.657 266 A CB 0.492 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 -2.508 113.063 115.700 -0.215 0.000 2.547 267 S HA 0.346 4.816 4.470 -0.001 0.000 0.270 267 S C 0.196 174.510 174.600 -0.476 0.000 1.150 267 S CA -0.314 57.728 58.200 -0.263 0.000 0.850 267 S CB 1.304 64.367 63.200 -0.229 0.000 1.118 267 S HN 0.463 nan 8.310 nan 0.000 0.461 268 N N 0.816 119.370 118.700 -0.243 0.000 2.508 268 N HA 0.008 4.748 4.740 -0.001 0.000 0.186 268 N C -0.020 175.515 175.510 0.040 0.000 1.034 268 N CA 0.297 53.316 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 0.644 121.039 120.400 -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 0.621 54.648 54.000 0.045 0.000 0.892 269 D CB -0.250 40.592 40.800 0.070 0.000 0.900 269 D HN 0.463 nan 8.370 nan 0.000 0.531 270 N N -0.590 118.071 118.700 -0.065 0.000 2.200 270 N HA -0.003 4.736 4.740 -0.001 0.000 0.224 270 N C -0.021 175.525 175.510 0.060 0.000 1.179 270 N CA -0.373 52.641 53.050 -0.060 0.000 0.877 270 N CB 0.709 39.109 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 -0.470 175.042 175.328 0.306 0.000 1.047 271 H CA 0.650 56.819 56.048 0.201 0.000 1.435 271 H CB 0.174 30.001 29.762 0.108 0.000 1.428 271 H HN 0.290 nan 8.280 nan 0.000 0.590 272 Y N 1.388 121.811 120.300 0.205 0.000 2.656 272 Y HA 0.513 5.062 4.550 -0.001 0.000 0.334 272 Y C -2.159 173.860 175.900 0.198 0.000 1.179 272 Y CA -1.377 56.816 58.100 0.156 0.000 1.050 272 Y CB 1.516 40.024 38.460 0.080 0.000 1.308 272 Y HN 0.382 nan 8.280 nan 0.000 0.456 273 F N 1.150 121.031 119.950 -0.115 0.000 2.596 273 F HA 0.842 5.369 4.527 -0.001 0.000 0.311 273 F C -0.352 175.358 175.800 -0.150 0.000 1.116 273 F CA 0.001 57.845 58.000 -0.260 0.000 0.957 273 F CB 2.086 40.983 39.000 -0.172 0.000 1.250 273 F HN 1.075 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 4.411 3.960 -0.001 0.000 0.299 274 G HA3 0.451 4.411 3.960 -0.001 0.000 0.299 274 G C -2.438 171.803 174.900 -1.099 0.000 1.242 274 G CA -0.598 44.083 45.100 -0.697 0.000 0.859 274 G HN 0.551 nan 8.290 nan 0.000 0.481 275 Y N -0.892 119.020 120.300 -0.647 0.000 2.581 275 Y HA 0.756 5.305 4.550 -0.001 0.000 0.345 275 Y C 0.143 175.831 175.900 -0.354 0.000 1.036 275 Y CA -0.768 57.074 58.100 -0.432 0.000 1.042 275 Y CB 2.657 41.009 38.460 -0.181 0.000 1.289 275 Y HN 0.558 nan 8.280 nan 0.000 0.471 276 S N 1.093 116.825 115.700 0.053 0.000 2.552 276 S HA 0.597 5.066 4.470 -0.001 0.000 0.314 276 S C -0.716 173.931 174.600 0.078 0.000 1.099 276 S CA -0.571 57.638 58.200 0.016 0.000 1.070 276 S CB 0.328 63.522 63.200 -0.009 0.000 0.998 276 S HN 0.702 nan 8.310 nan 0.000 0.474 277 T N 2.335 116.923 114.554 0.057 0.000 2.945 277 T HA 0.601 4.951 4.350 -0.001 0.000 0.286 277 T C -2.536 172.142 174.700 -0.037 0.000 1.025 277 T CA -2.098 59.954 62.100 -0.081 0.000 1.039 277 T CB 1.402 70.422 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 -0.118 62.953 63.100 -0.049 0.000 0.781 278 P CB -0.177 31.448 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 -0.081 57.291 57.345 0.046 0.000 1.221 279 W CB 0.984 30.467 29.460 0.038 0.000 1.253 279 W HN -0.157 nan 8.180 nan 0.000 0.555 280 G N 1.122 110.051 108.800 0.215 0.000 2.557 280 G HA2 0.697 4.657 3.960 -0.001 0.000 0.302 280 G HA3 0.697 4.657 3.960 -0.001 0.000 0.302 280 G C -1.868 173.081 174.900 0.080 0.000 1.311 280 G CA -0.622 44.507 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 2.624 281 Y HA 0.684 5.234 4.550 -0.001 0.000 0.334 281 Y C -1.830 173.891 175.900 -0.299 0.000 1.155 281 Y CA -2.085 55.866 58.100 -0.248 0.000 1.046 281 Y CB 0.953 39.284 38.460 -0.215 0.000 1.316 281 Y HN 0.389 nan 8.280 nan 0.000 0.457 282 F N 1.948 121.890 119.950 -0.013 0.000 2.404 282 F HA 0.502 5.028 4.527 -0.001 0.000 0.339 282 F C -0.170 175.671 175.800 0.067 0.000 1.105 282 F CA 0.000 58.029 58.000 0.047 0.000 1.087 282 F CB 1.441 40.540 39.000 0.165 0.000 1.143 282 F HN 0.586 nan 8.300 nan 0.000 0.491 283 D N 2.684 123.213 120.400 0.215 0.000 2.780 283 D HA 0.429 5.068 4.640 -0.001 0.000 0.242 283 D C -0.873 175.494 176.300 0.111 0.000 1.135 283 D CA -0.500 53.518 54.000 0.029 0.000 0.859 283 D CB 1.155 41.978 40.800 0.039 0.000 1.530 283 D HN 0.292 nan 8.370 nan 0.000 0.493 284 F N 1.060 121.105 119.950 0.158 0.000 2.608 284 F HA 0.390 4.917 4.527 -0.001 0.000 0.383 284 F C 0.246 176.125 175.800 0.132 0.000 1.371 284 F CA -0.825 57.254 58.000 0.131 0.000 1.123 284 F CB -0.919 38.236 39.000 0.257 0.000 1.207 284 F HN 0.274 nan 8.300 nan 0.000 0.512 285 N N 1.313 119.855 118.700 -0.264 0.000 2.375 285 N HA 0.181 4.920 4.740 -0.001 0.000 0.220 285 N C -0.196 175.107 175.510 -0.345 0.000 1.170 285 N CA -0.096 52.562 53.050 -0.653 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 -0.539 119.860 120.500 -0.170 0.000 2.637 286 R HA 0.222 4.562 4.340 -0.001 0.000 0.291 286 R C 0.077 176.307 176.300 -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 30.973 30.300 -0.475 0.000 1.160 286 R HN 0.121 nan 8.270 nan 0.000 0.457 287 F N 0.908 120.875 119.950 0.028 0.000 2.171 287 F HA -0.169 4.357 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 1.622 59.753 58.000 0.218 0.000 1.293 287 F CB -0.066 38.912 39.000 -0.037 0.000 1.013 287 F HN 0.715 nan 8.300 nan 0.000 0.486 288 H N -2.945 116.246 119.070 0.200 0.000 2.563 288 H HA -0.011 4.545 4.556 -0.001 0.000 0.272 288 H C 1.678 177.049 175.328 0.071 0.000 1.005 288 H CA 0.404 56.516 56.048 0.107 0.000 1.171 288 H CB -1.452 28.336 29.762 0.042 0.000 1.351 288 H HN 0.236 nan 8.280 nan 0.000 0.602 289 C N 0.540 119.790 119.300 -0.083 0.000 2.448 289 C HA -0.002 4.458 4.460 -0.001 0.000 0.280 289 C C 1.731 176.478 174.990 -0.404 0.000 1.398 289 C CA 0.847 59.701 59.018 -0.272 0.000 1.774 289 C CB -0.633 26.804 27.740 -0.505 0.000 1.888 289 C HN 0.800 nan 8.230 nan 0.000 0.519 290 H N -2.926 116.242 119.070 0.164 0.000 2.545 290 H HA 0.225 4.780 4.556 -0.001 0.000 0.251 290 H C -0.041 175.213 175.328 -0.124 0.000 0.934 290 H CA 0.151 56.209 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 0.311 nan 8.280 nan 0.000 0.445 291 F N 3.498 123.602 119.950 0.257 0.000 2.411 291 F HA 0.209 4.736 4.527 -0.001 0.000 0.355 291 F C 1.106 176.993 175.800 0.144 0.000 1.117 291 F CA -0.804 57.309 58.000 0.190 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 3.943 119.797 115.700 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 57.297 58.200 0.184 0.000 1.018 292 S CB 1.216 64.504 63.200 0.146 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 -0.023 0.000 1.157 293 P CA 1.217 64.218 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 0.398 120.929 120.500 0.051 0.000 2.103 294 R HA -0.164 4.176 4.340 -0.001 0.000 0.242 294 R C 1.775 178.152 176.300 0.127 0.000 1.142 294 R CA 2.001 58.148 56.100 0.080 0.000 0.960 294 R CB -1.659 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 -0.612 119.937 120.400 0.248 0.000 2.097 295 D HA -0.221 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 1.207 55.475 54.000 0.447 0.000 0.827 295 D CB -0.614 40.514 40.800 0.548 0.000 0.966 295 D HN 0.374 nan 8.370 nan 0.000 0.456 296 W N 2.040 123.371 121.300 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 -0.253 0.000 1.215 296 W CA 1.447 58.662 57.345 -0.217 0.000 1.244 296 W CB -0.096 29.192 29.460 -0.286 0.000 1.140 296 W HN 0.114 nan 8.180 nan 0.000 0.523 297 Q N 0.322 120.072 119.800 -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 -0.220 0.000 0.978 297 Q CA 1.827 57.516 55.803 -0.189 0.000 0.844 297 Q CB -0.197 28.499 28.738 -0.070 0.000 0.898 297 Q HN 0.267 nan 8.270 nan 0.000 0.426 298 R N 0.159 120.543 120.500 -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 1.343 57.223 56.100 -0.367 0.000 0.960 298 R CB -0.481 29.414 30.300 -0.674 0.000 0.856 298 R HN 0.330 nan 8.270 nan 0.000 0.436 299 L N 0.788 121.886 121.223 -0.207 0.000 1.976 299 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 299 L C 2.147 178.800 176.870 -0.361 0.000 1.071 299 L CA 1.280 55.988 54.840 -0.220 0.000 0.746 299 L CB -0.198 41.561 42.059 -0.500 0.000 0.890 299 L HN 0.134 nan 8.230 nan 0.000 0.432 300 I N 0.626 120.864 120.570 -0.555 0.000 2.208 300 I HA -0.300 3.869 4.170 -0.001 0.000 0.245 300 I C 1.795 177.780 176.117 -0.220 0.000 1.097 300 I CA 1.462 62.481 61.300 -0.469 0.000 1.363 300 I CB -1.564 36.057 38.000 -0.631 0.000 1.051 300 I HN 0.434 nan 8.210 nan 0.000 0.413 301 N N 0.933 119.504 118.700 -0.216 0.000 2.398 301 N HA -0.025 4.715 4.740 -0.001 0.000 0.188 301 N C 0.872 176.348 175.510 -0.057 0.000 1.122 301 N CA 0.351 53.338 53.050 -0.104 0.000 0.866 301 N CB -0.024 38.393 38.487 -0.115 0.000 0.970 301 N HN 0.451 nan 8.380 nan 0.000 0.462 302 N N -0.237 118.418 118.700 -0.075 0.000 2.113 302 N HA 0.094 4.834 4.740 -0.001 0.000 0.223 302 N C -0.798 174.685 175.510 -0.046 0.000 1.310 302 N CA -0.052 52.948 53.050 -0.083 0.000 0.896 302 N CB 0.917 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 -0.219 118.513 118.700 0.053 0.000 2.346 303 N HA 0.146 4.886 4.740 -0.001 0.000 0.289 303 N C 0.275 175.996 175.510 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 40.251 38.487 0.138 0.000 1.370 303 N HN 0.119 nan 8.380 nan 0.000 0.481 304 W N 1.996 123.284 121.300 -0.021 0.000 2.341 304 W HA -0.129 4.530 4.660 -0.001 0.000 0.283 304 W C 1.091 177.643 176.519 0.055 0.000 1.215 304 W CA 0.226 57.545 57.345 -0.044 0.000 1.211 304 W CB 0.397 29.744 29.460 -0.190 0.000 1.131 304 W HN 0.616 nan 8.180 nan 0.000 0.552 305 G N -1.605 107.385 108.800 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 0.128 nan 8.290 nan 0.000 0.487 306 F N -1.407 118.964 119.950 0.701 0.000 2.807 306 F HA 0.930 5.457 4.527 -0.001 0.000 0.316 306 F C -0.888 175.312 175.800 0.667 0.000 1.162 306 F CA -1.135 57.313 58.000 0.747 0.000 0.910 306 F CB 1.436 40.678 39.000 0.403 0.000 1.314 306 F HN 0.997 nan 8.300 nan 0.000 0.454 307 R N -0.033 120.791 120.500 0.539 0.000 2.728 307 R HA 0.725 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 -1.853 54.207 56.100 -0.067 0.000 0.866 307 R CB 1.743 31.720 30.300 -0.538 0.000 1.263 307 R HN 0.396 nan 8.270 nan 0.000 0.475 308 P HA 0.356 nan 4.420 nan 0.000 0.279 308 P C -0.766 176.025 177.300 -0.848 0.000 1.252 308 P CA -0.596 61.769 63.100 -1.225 0.000 0.811 308 P CB 1.220 31.592 31.700 -2.214 0.000 1.035 309 K N 0.527 120.527 120.400 -0.667 0.000 2.524 309 K HA 0.288 4.608 4.320 -0.001 0.000 0.210 309 K C 0.378 176.965 176.600 -0.022 0.000 1.340 309 K CA 0.806 56.938 56.287 -0.257 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 0.220 120.580 120.400 -0.067 0.000 2.378 310 K HA 0.567 4.886 4.320 -0.001 0.000 0.244 310 K C -1.342 175.289 176.600 0.053 0.000 1.039 310 K CA -0.954 55.323 56.287 -0.017 0.000 0.863 310 K CB 1.985 34.418 32.500 -0.110 0.000 1.326 310 K HN -0.072 nan 8.250 nan 0.000 0.460 311 L N -0.287 120.939 121.223 0.005 0.000 2.565 311 L HA 0.395 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 2.422 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 4.502 120.177 115.700 -0.041 0.000 2.605 312 S HA 0.653 5.123 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 1.010 64.152 63.200 -0.097 0.000 1.001 312 S HN 0.496 nan 8.310 nan 0.000 0.480 313 F N 3.413 123.372 119.950 0.014 0.000 2.469 313 F HA 0.687 5.213 4.527 -0.001 0.000 0.332 313 F C -0.279 175.592 175.800 0.117 0.000 1.103 313 F CA -0.488 57.571 58.000 0.098 0.000 0.979 313 F CB 0.984 40.173 39.000 0.314 0.000 1.137 313 F HN 0.416 nan 8.300 nan 0.000 0.463 314 K N 7.284 127.312 120.400 -0.620 0.000 2.535 314 K HA 0.533 4.853 4.320 -0.001 0.000 0.251 314 K C -2.180 174.301 176.600 -0.197 0.000 0.942 314 K CA -0.607 55.547 56.287 -0.222 0.000 0.798 314 K CB 1.578 34.045 32.500 -0.056 0.000 1.267 314 K HN 0.773 nan 8.250 nan 0.000 0.434 315 L N 5.872 127.163 121.223 0.114 0.000 2.346 315 L HA 0.698 5.038 4.340 -0.001 0.000 0.276 315 L C -0.744 176.382 176.870 0.426 0.000 1.006 315 L CA -0.874 54.053 54.840 0.145 0.000 0.817 315 L CB 0.990 43.122 42.059 0.122 0.000 1.272 315 L HN 0.704 nan 8.230 nan 0.000 0.421 316 F N -0.634 119.419 119.950 0.172 0.000 2.877 316 F HA 0.367 4.894 4.527 -0.001 0.000 0.319 316 F C -0.163 175.707 175.800 0.116 0.000 1.174 316 F CA -1.469 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 -1.105 174.389 175.510 -0.027 0.000 1.008 317 N CA 0.519 53.632 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 0.901 121.489 120.570 0.029 0.000 2.474 318 I HA 0.095 4.265 4.170 -0.001 0.000 0.287 318 I C 0.490 176.573 176.117 -0.057 0.000 1.048 318 I CA 0.115 61.413 61.300 -0.005 0.000 1.383 318 I CB 0.898 38.974 38.000 0.126 0.000 1.412 318 I HN 0.137 nan 8.210 nan 0.000 0.531 319 Q N 5.428 125.144 119.800 -0.139 0.000 2.285 319 Q HA 0.510 4.850 4.340 -0.001 0.000 0.269 319 Q C -1.402 174.484 176.000 -0.191 0.000 1.030 319 Q CA -0.759 54.955 55.803 -0.148 0.000 0.788 319 Q CB 3.141 31.773 28.738 -0.177 0.000 1.266 319 Q HN 0.391 nan 8.270 nan 0.000 0.438 320 V N 3.334 123.155 119.914 -0.155 0.000 2.347 320 V HA 0.354 4.474 4.120 -0.001 0.000 0.280 320 V C -0.326 175.621 176.094 -0.245 0.000 1.021 320 V CA -0.634 61.551 62.300 -0.191 0.000 0.847 320 V CB 1.164 32.930 31.823 -0.095 0.000 0.990 320 V HN 0.545 nan 8.190 nan 0.000 0.444 321 K N 4.200 124.334 120.400 -0.444 0.000 2.244 321 K HA 0.563 4.882 4.320 -0.001 0.000 0.260 321 K C -0.350 176.115 176.600 -0.224 0.000 0.951 321 K CA -0.604 55.445 56.287 -0.396 0.000 0.826 321 K CB 2.524 34.641 32.500 -0.639 0.000 1.108 321 K HN 0.892 nan 8.250 nan 0.000 0.433 322 E N 0.287 120.454 120.200 -0.055 0.000 2.183 322 E HA 0.495 4.844 4.350 -0.001 0.000 0.271 322 E C -0.859 175.788 176.600 0.079 0.000 0.919 322 E CA -1.010 55.412 56.400 0.036 0.000 0.781 322 E CB 1.979 31.697 29.700 0.029 0.000 1.140 322 E HN 0.135 nan 8.360 nan 0.000 0.402 323 V N 2.331 122.312 119.914 0.111 0.000 2.815 323 V HA 0.803 4.923 4.120 -0.001 0.000 0.314 323 V C -1.040 175.090 176.094 0.060 0.000 1.064 323 V CA 0.004 62.359 62.300 0.092 0.000 0.952 323 V CB 2.112 33.995 31.823 0.100 0.000 1.020 323 V HN 1.022 nan 8.190 nan 0.000 0.439 324 T N 2.807 117.387 114.554 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 1.573 70.460 68.868 0.031 0.000 1.005 324 T HN 0.602 nan 8.240 nan 0.000 0.442 325 Q N 2.954 122.764 119.800 0.017 0.000 2.503 325 Q HA 0.394 4.733 4.340 -0.001 0.000 0.227 325 Q C 0.862 176.867 176.000 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 1.138 119.844 118.700 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 1.244 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 -1.628 118.774 120.400 0.004 0.000 3.051 327 D HA 0.227 4.866 4.640 -0.001 0.000 0.216 327 D C 1.041 177.341 176.300 -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 40.322 40.800 0.001 0.000 0.975 327 D HN 0.226 nan 8.370 nan 0.000 0.212 328 G N -0.194 108.605 108.800 -0.001 0.000 3.839 328 G HA2 0.262 4.221 3.960 -0.001 0.000 0.286 328 G HA3 0.262 4.221 3.960 -0.001 0.000 0.286 328 G C -0.215 174.683 174.900 -0.004 0.000 1.005 328 G CA 0.110 45.208 45.100 -0.003 0.000 0.824 328 G HN 0.241 nan 8.290 nan 0.000 0.489 329 T N 0.693 115.246 114.554 -0.002 0.000 2.881 329 T HA 0.525 4.875 4.350 -0.001 0.000 0.290 329 T C -0.325 174.375 174.700 -0.000 0.000 1.000 329 T CA -0.270 61.829 62.100 -0.002 0.000 0.978 329 T CB 1.358 70.226 68.868 -0.001 0.000 0.997 329 T HN 0.111 nan 8.240 nan 0.000 0.443 330 T N 2.226 116.778 114.554 -0.002 0.000 2.727 330 T HA 0.533 4.883 4.350 -0.001 0.000 0.298 330 T C 0.414 175.118 174.700 0.008 0.000 0.942 330 T CA -0.800 61.301 62.100 0.001 0.000 0.997 330 T CB 0.262 69.126 68.868 -0.007 0.000 0.917 330 T HN 0.714 nan 8.240 nan 0.000 0.487 331 T N 2.002 116.565 114.554 0.015 0.000 2.837 331 T HA 0.663 5.013 4.350 -0.001 0.000 0.285 331 T C 0.003 174.723 174.700 0.034 0.000 0.984 331 T CA -0.941 61.171 62.100 0.020 0.000 1.049 331 T CB 0.503 69.380 68.868 0.016 0.000 0.947 331 T HN 0.645 nan 8.240 nan 0.000 0.472 332 I N 2.166 122.760 120.570 0.041 0.000 2.406 332 I HA 0.670 4.839 4.170 -0.001 0.000 0.290 332 I C 0.160 176.301 176.117 0.039 0.000 0.999 332 I CA -1.039 60.300 61.300 0.066 0.000 1.124 332 I CB 1.554 39.620 38.000 0.109 0.000 1.289 332 I HN 0.914 nan 8.210 nan 0.000 0.441 333 A N 5.327 128.163 122.820 0.026 0.000 2.479 333 A HA 0.626 4.946 4.320 -0.001 0.000 0.296 333 A C -0.892 176.679 177.584 -0.022 0.000 1.121 333 A CA -0.818 51.221 52.037 0.003 0.000 0.743 333 A CB 1.342 20.347 19.000 0.007 0.000 1.323 333 A HN 0.636 nan 8.150 nan 0.000 0.415 334 N N 1.978 120.661 118.700 -0.028 0.000 2.497 334 N HA 0.127 4.866 4.740 -0.001 0.000 0.271 334 N C -0.981 174.509 175.510 -0.034 0.000 1.142 334 N CA 0.172 53.196 53.050 -0.044 0.000 0.965 334 N CB 0.760 39.226 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 0.899 176.393 175.510 -0.028 0.000 1.027 335 N CA -0.285 52.748 53.050 -0.028 0.000 0.920 335 N CB 0.330 38.802 38.487 -0.025 0.000 1.148 335 N HN 0.453 nan 8.380 nan 0.000 0.509 336 L N 0.986 122.199 121.223 -0.017 0.000 2.156 336 L HA -0.066 4.273 4.340 -0.001 0.000 0.208 336 L C 1.988 178.855 176.870 -0.004 0.000 1.095 336 L CA 1.282 56.115 54.840 -0.012 0.000 0.770 336 L CB -0.456 41.599 42.059 -0.006 0.000 0.914 336 L HN 0.529 nan 8.230 nan 0.000 0.439 337 T N -4.371 110.183 114.554 -0.001 0.000 3.148 337 T HA 0.011 4.360 4.350 -0.001 0.000 0.253 337 T C 0.967 175.668 174.700 0.003 0.000 1.134 337 T CA -0.057 62.045 62.100 0.004 0.000 1.051 337 T CB 0.037 68.908 68.868 0.005 0.000 0.959 337 T HN 0.094 nan 8.240 nan 0.000 0.525 338 S N 1.943 117.641 115.700 -0.003 0.000 2.601 338 S HA 0.522 4.991 4.470 -0.001 0.000 0.271 338 S C 0.416 175.016 174.600 0.001 0.000 1.305 338 S CA -0.420 57.776 58.200 -0.006 0.000 1.022 338 S CB 0.706 63.897 63.200 -0.016 0.000 0.940 338 S HN 0.744 nan 8.310 nan 0.000 0.525 339 T N 0.219 114.773 114.554 0.000 0.000 2.905 339 T HA 0.794 5.144 4.350 -0.001 0.000 0.283 339 T C -0.570 174.136 174.700 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 70.206 68.868 0.019 0.000 1.200 339 T HN 0.609 nan 8.240 nan 0.000 0.560 340 V N 0.152 120.086 119.914 0.033 0.000 3.087 340 V HA 0.522 4.642 4.120 -0.001 0.000 0.306 340 V C -1.792 174.325 176.094 0.038 0.000 1.187 340 V CA -0.788 61.526 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 3.491 123.294 119.800 0.005 0.000 2.331 341 Q HA 0.764 5.104 4.340 -0.001 0.000 0.267 341 Q C -1.453 174.669 176.000 0.203 0.000 1.006 341 Q CA -0.636 55.234 55.803 0.112 0.000 0.818 341 Q CB 2.560 31.382 28.738 0.140 0.000 1.276 341 Q HN 0.552 nan 8.270 nan 0.000 0.450 342 V N 3.366 123.378 119.914 0.163 0.000 2.823 342 V HA 0.745 4.864 4.120 -0.001 0.000 0.312 342 V C -0.719 175.413 176.094 0.063 0.000 1.072 342 V CA -0.830 61.448 62.300 -0.036 0.000 0.937 342 V CB 1.324 32.815 31.823 -0.553 0.000 1.013 342 V HN 0.790 nan 8.190 nan 0.000 0.430 343 F N 0.320 120.120 119.950 -0.250 0.000 2.817 343 F HA 0.806 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 -0.686 57.189 58.000 -0.208 0.000 0.911 343 F CB 1.981 40.897 39.000 -0.139 0.000 1.337 343 F HN 0.470 nan 8.300 nan 0.000 0.464 344 T N 0.678 115.089 114.554 -0.238 0.000 2.841 344 T HA 0.286 4.636 4.350 -0.001 0.000 0.285 344 T C -1.533 172.993 174.700 -0.290 0.000 0.991 344 T CA -0.409 61.391 62.100 -0.500 0.000 0.966 344 T CB 0.911 69.373 68.868 -0.677 0.000 0.962 344 T HN 0.835 nan 8.240 nan 0.000 0.438 345 D N 3.377 123.518 120.400 -0.433 0.000 2.498 345 D HA 0.250 4.889 4.640 -0.001 0.000 0.229 345 D C 0.857 176.914 176.300 -0.405 0.000 1.188 345 D CA 0.109 53.924 54.000 -0.309 0.000 1.028 345 D CB 0.063 40.647 40.800 -0.361 0.000 1.087 345 D HN 0.428 nan 8.370 nan 0.000 0.510 346 S N 2.017 117.535 115.700 -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 0.067 58.038 58.200 -0.382 0.000 0.919 346 S CB 0.230 63.375 63.200 -0.092 0.000 0.778 346 S HN 0.536 nan 8.310 nan 0.000 0.523 347 E N 0.292 120.328 120.200 -0.274 0.000 2.474 347 E HA 0.129 4.479 4.350 -0.001 0.000 0.195 347 E C -0.886 175.736 176.600 0.038 0.000 1.039 347 E CA -0.318 56.035 56.400 -0.078 0.000 0.881 347 E CB 0.056 29.764 29.700 0.012 0.000 0.970 347 E HN 0.538 nan 8.360 nan 0.000 0.486 348 Y N 0.510 120.826 120.300 0.027 0.000 3.078 348 Y HA -0.296 4.253 4.550 -0.001 0.000 0.202 348 Y C 1.051 176.936 175.900 -0.024 0.000 1.322 348 Y CA 0.319 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 0.259 4.599 4.340 -0.001 0.000 0.209 349 Q C 0.375 176.294 176.000 -0.136 0.000 0.906 349 Q CA 0.186 56.019 55.803 0.051 0.000 0.927 349 Q CB 0.591 29.431 28.738 0.170 0.000 1.069 349 Q HN 0.551 nan 8.270 nan 0.000 0.523 350 L N 1.868 122.975 121.223 -0.193 0.000 2.325 350 L HA 0.382 4.722 4.340 -0.001 0.000 0.279 350 L C -2.227 174.486 176.870 -0.261 0.000 1.054 350 L CA -2.422 52.167 54.840 -0.419 0.000 0.804 350 L CB 0.965 42.753 42.059 -0.451 0.000 1.200 350 L HN -0.183 nan 8.230 nan 0.000 0.436 351 P HA -0.120 nan 4.420 nan 0.000 0.260 351 P C -1.078 176.262 177.300 0.067 0.000 1.185 351 P CA 0.164 63.216 63.100 -0.080 0.000 0.763 351 P CB -0.017 31.635 31.700 -0.080 0.000 0.776 352 Y N 4.149 124.445 120.300 -0.008 0.000 2.584 352 Y HA 0.119 4.668 4.550 -0.001 0.000 0.351 352 Y C 1.210 177.119 175.900 0.015 0.000 1.030 352 Y CA 0.286 58.393 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 7.063 126.807 119.914 -0.284 0.000 3.647 353 V HA 0.128 4.248 4.120 -0.001 0.000 0.279 353 V C 0.524 176.433 176.094 -0.308 0.000 1.314 353 V CA 0.304 62.456 62.300 -0.248 0.000 1.125 353 V CB -0.611 31.018 31.823 -0.323 0.000 0.907 353 V HN 0.590 nan 8.190 nan 0.000 0.434 354 L N -0.245 120.626 121.223 -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 0.298 54.888 54.840 -0.416 0.000 0.806 354 L CB -0.077 41.613 42.059 -0.616 0.000 1.261 354 L HN 0.283 nan 8.230 nan 0.000 0.484 355 G N 0.157 108.877 108.800 -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 0.524 45.583 45.100 -0.069 0.000 0.784 355 G HN 0.528 nan 8.290 nan 0.000 0.507 356 S N -0.498 115.201 115.700 -0.003 0.000 2.754 356 S HA 0.578 5.048 4.470 -0.001 0.000 0.247 356 S C 1.482 175.936 174.600 -0.242 0.000 1.031 356 S CA 0.981 59.132 58.200 -0.082 0.000 1.014 356 S CB 0.646 63.827 63.200 -0.031 0.000 0.918 356 S HN 2.145 nan 8.310 nan 0.000 0.519 357 A N 1.598 124.350 122.820 -0.114 0.000 2.816 357 A HA -0.220 4.100 4.320 -0.001 0.000 0.270 357 A C 0.420 177.949 177.584 -0.092 0.000 1.413 357 A CA 0.897 52.887 52.037 -0.079 0.000 0.866 357 A CB -2.277 16.684 19.000 -0.065 0.000 1.032 357 A HN 0.668 nan 8.150 nan 0.000 0.642 358 H N -0.118 118.954 119.070 0.004 0.000 2.767 358 H HA 0.252 4.807 4.556 -0.001 0.000 0.380 358 H C 1.010 176.362 175.328 0.038 0.000 1.409 358 H CA 0.929 56.991 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 -1.193 118.725 119.800 0.196 0.000 2.180 359 Q HA 0.404 4.743 4.340 -0.001 0.000 0.241 359 Q C 0.541 176.598 176.000 0.096 0.000 0.970 359 Q CA -0.232 55.646 55.803 0.126 0.000 0.919 359 Q CB 1.628 30.430 28.738 0.106 0.000 1.222 359 Q HN 0.958 nan 8.270 nan 0.000 0.482 360 G N -0.421 108.425 108.800 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 0.112 175.010 174.900 -0.003 0.000 0.998 360 G CA -0.346 44.788 45.100 0.056 0.000 0.668 360 G HN 0.576 nan 8.290 nan 0.000 0.516 361 C N 0.251 119.540 119.300 -0.019 0.000 2.641 361 C HA 0.612 5.072 4.460 -0.001 0.000 0.318 361 C C 1.598 176.409 174.990 -0.297 0.000 1.490 361 C CA -0.651 58.313 59.018 -0.090 0.000 2.260 361 C CB -0.019 27.703 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 -0.302 0.000 2.410 362 L HA 0.215 4.555 4.340 -0.001 0.000 0.273 362 L C -2.076 174.725 176.870 -0.114 0.000 1.152 362 L CA -1.107 53.473 54.840 -0.434 0.000 0.855 362 L CB -0.099 41.821 42.059 -0.232 0.000 1.129 362 L HN 0.387 nan 8.230 nan 0.000 0.463 363 P HA 0.023 nan 4.420 nan 0.000 0.262 363 P C -2.001 175.382 177.300 0.138 0.000 1.182 363 P CA -0.855 62.309 63.100 0.105 0.000 0.761 363 P CB 0.182 31.979 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 0.003 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 -0.203 119.588 119.950 -0.264 0.000 2.411 365 F HA 0.286 4.813 4.527 -0.001 0.000 0.350 365 F C -1.698 174.055 175.800 -0.077 0.000 1.114 365 F CA -3.001 54.774 58.000 -0.376 0.000 1.135 365 F CB 1.052 39.745 39.000 -0.512 0.000 1.120 365 F HN -0.110 nan 8.300 nan 0.000 0.495 366 P HA -0.149 nan 4.420 nan 0.000 0.218 366 P C 0.999 178.273 177.300 -0.044 0.000 1.148 366 P CA 1.751 64.760 63.100 -0.150 0.000 0.822 366 P CB 0.092 31.704 31.700 -0.145 0.000 0.784 367 A N -1.033 121.615 122.820 -0.286 0.000 2.119 367 A HA -0.054 4.265 4.320 -0.001 0.000 0.217 367 A C 0.657 178.350 177.584 0.182 0.000 1.153 367 A CA 0.725 52.760 52.037 -0.003 0.000 0.692 367 A CB -0.939 18.118 19.000 0.094 0.000 0.799 367 A HN 0.095 nan 8.150 nan 0.000 0.458 368 D N 0.161 120.714 120.400 0.255 0.000 2.348 368 D HA 0.378 5.018 4.640 -0.001 0.000 0.253 368 D C -0.191 176.273 176.300 0.272 0.000 1.161 368 D CA 0.141 54.299 54.000 0.263 0.000 0.876 368 D CB 1.385 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 3.271 123.326 119.914 0.235 0.000 2.686 369 V HA 0.422 4.542 4.120 -0.001 0.000 0.295 369 V C 0.091 176.370 176.094 0.309 0.000 1.057 369 V CA -0.484 61.963 62.300 0.245 0.000 1.012 369 V CB 0.504 32.397 31.823 0.117 0.000 1.006 369 V HN 0.423 nan 8.190 nan 0.000 0.477 370 F N 2.531 122.570 119.950 0.149 0.000 2.593 370 F HA 0.777 5.304 4.527 -0.001 0.000 0.320 370 F C -0.458 175.422 175.800 0.134 0.000 1.060 370 F CA -1.349 56.732 58.000 0.134 0.000 0.940 370 F CB 1.941 41.027 39.000 0.143 0.000 1.268 370 F HN 0.446 nan 8.300 nan 0.000 0.475 371 M N 3.280 122.919 119.600 0.066 0.000 2.264 371 M HA 0.526 5.005 4.480 -0.001 0.000 0.352 371 M C -1.339 174.959 176.300 -0.003 0.000 1.173 371 M CA -0.851 54.425 55.300 -0.039 0.000 1.075 371 M CB 1.539 34.166 32.600 0.044 0.000 1.621 371 M HN 0.611 nan 8.290 nan 0.000 0.457 372 V N 7.360 127.197 119.914 -0.127 0.000 2.508 372 V HA 0.249 4.368 4.120 -0.001 0.000 0.281 372 V C -2.057 173.962 176.094 -0.126 0.000 1.041 372 V CA -1.267 60.925 62.300 -0.181 0.000 1.016 372 V CB 0.454 32.030 31.823 -0.411 0.000 0.984 372 V HN 0.758 nan 8.190 nan 0.000 0.478 373 P HA 0.101 nan 4.420 nan 0.000 0.269 373 P C -0.574 176.425 177.300 -0.500 0.000 1.215 373 P CA -0.145 62.706 63.100 -0.416 0.000 0.780 373 P CB 0.470 31.734 31.700 -0.726 0.000 0.898 374 Q N 1.281 120.761 119.800 -0.533 0.000 2.230 374 Q HA 0.238 4.578 4.340 -0.001 0.000 0.248 374 Q C -1.314 174.698 176.000 0.019 0.000 0.915 374 Q CA -0.704 54.709 55.803 -0.651 0.000 0.900 374 Q CB 0.495 28.483 28.738 -1.250 0.000 1.229 374 Q HN 0.376 nan 8.270 nan 0.000 0.439 375 Y N 1.473 121.772 120.300 -0.000 0.000 2.327 375 Y HA 0.581 5.131 4.550 -0.001 0.000 0.336 375 Y C -0.297 175.605 175.900 0.003 0.000 1.035 375 Y CA 0.140 58.258 58.100 0.030 0.000 1.165 375 Y CB 1.223 39.710 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 -0.608 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 -0.510 0.000 1.398 376 G CA -0.823 43.993 45.100 -0.474 0.000 0.920 376 G HN 0.743 nan 8.290 nan 0.000 0.492 377 Y N -1.062 119.036 120.300 -0.337 0.000 2.615 377 Y HA 0.822 5.372 4.550 -0.001 0.000 0.341 377 Y C -1.177 174.735 175.900 0.020 0.000 1.089 377 Y CA -1.693 56.296 58.100 -0.184 0.000 1.049 377 Y CB 1.536 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 2.017 123.374 121.223 0.224 0.000 2.334 378 L HA 0.733 5.072 4.340 -0.001 0.000 0.273 378 L C -0.219 176.861 176.870 0.350 0.000 1.013 378 L CA -0.607 54.362 54.840 0.214 0.000 0.816 378 L CB 2.402 44.583 42.059 0.202 0.000 1.278 378 L HN 0.965 nan 8.230 nan 0.000 0.431 379 T N 0.349 115.107 114.554 0.340 0.000 2.688 379 T HA 0.452 4.801 4.350 -0.001 0.000 0.249 379 T C -0.890 173.990 174.700 0.299 0.000 0.944 379 T CA -0.682 61.648 62.100 0.383 0.000 1.058 379 T CB 0.884 70.034 68.868 0.470 0.000 1.673 379 T HN 0.118 nan 8.240 nan 0.000 0.565 380 L N 2.974 124.356 121.223 0.265 0.000 2.350 380 L HA 0.578 4.918 4.340 -0.001 0.000 0.275 380 L C -0.577 176.383 176.870 0.149 0.000 1.099 380 L CA -0.365 54.586 54.840 0.185 0.000 0.808 380 L CB 0.129 42.274 42.059 0.143 0.000 1.149 380 L HN 0.910 nan 8.230 nan 0.000 0.442 381 N N 1.282 120.048 118.700 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 0.943 39.503 38.487 0.122 0.000 1.619 381 N HN 0.363 nan 8.380 nan 0.000 0.476 382 N N 1.098 119.759 118.700 -0.064 0.000 2.816 382 N HA 0.435 5.175 4.740 -0.001 0.000 0.236 382 N C 0.638 176.068 175.510 -0.133 0.000 1.076 382 N CA 0.987 53.996 53.050 -0.068 0.000 0.902 382 N CB 0.047 38.489 38.487 -0.075 0.000 1.149 382 N HN 1.029 nan 8.380 nan 0.000 0.506 383 G N 2.340 111.055 108.800 -0.141 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 0.792 175.484 174.900 -0.346 0.000 1.146 383 G CA 0.522 45.369 45.100 -0.423 0.000 0.961 383 G HN 0.777 nan 8.290 nan 0.000 0.549 384 S N 0.258 115.714 115.700 -0.408 0.000 2.528 384 S HA 0.302 4.771 4.470 -0.001 0.000 0.219 384 S C 1.075 175.604 174.600 -0.118 0.000 0.985 384 S CA 1.301 59.442 58.200 -0.099 0.000 0.914 384 S CB 0.233 63.427 63.200 -0.010 0.000 0.776 384 S HN 0.757 nan 8.310 nan 0.000 0.526 385 Q N 0.586 120.260 119.800 -0.211 0.000 2.237 385 Q HA 0.718 5.057 4.340 -0.001 0.000 0.219 385 Q C -0.318 175.393 176.000 -0.483 0.000 0.999 385 Q CA -0.410 55.205 55.803 -0.313 0.000 0.959 385 Q CB 1.167 29.768 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 -0.679 0.000 2.346 386 A HA 0.703 5.023 4.320 -0.001 0.000 0.313 386 A C -0.689 176.708 177.584 -0.312 0.000 1.140 386 A CA -0.605 51.022 52.037 -0.683 0.000 0.826 386 A CB 1.000 19.252 19.000 -1.246 0.000 1.332 386 A HN 0.465 nan 8.150 nan 0.000 0.457 387 V N -0.468 119.342 119.914 -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 62.565 62.300 -0.083 0.000 1.011 387 V CB 1.252 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 -0.430 108.356 108.800 -0.024 0.000 2.464 388 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.217 388 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.217 388 G C 1.156 176.067 174.900 0.020 0.000 1.138 388 G CA -0.019 45.078 45.100 -0.006 0.000 0.793 388 G HN 0.576 nan 8.290 nan 0.000 0.539 389 R N 0.904 121.422 120.500 0.031 0.000 2.363 389 R HA 0.214 4.554 4.340 -0.001 0.000 0.236 389 R C 0.085 176.434 176.300 0.083 0.000 0.966 389 R CA -0.176 55.956 56.100 0.052 0.000 1.100 389 R CB 0.193 30.526 30.300 0.054 0.000 1.125 389 R HN 0.133 nan 8.270 nan 0.000 0.514 390 S N 0.362 116.119 115.700 0.095 0.000 2.584 390 S HA 0.219 4.688 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 1.711 65.039 63.200 0.213 0.000 0.939 390 S HN 0.060 nan 8.310 nan 0.000 0.513 391 S N 2.317 118.122 115.700 0.174 0.000 2.437 391 S HA 0.517 4.987 4.470 -0.001 0.000 0.305 391 S C -0.920 173.625 174.600 -0.091 0.000 1.109 391 S CA -0.550 57.611 58.200 -0.066 0.000 1.099 391 S CB 0.477 63.565 63.200 -0.186 0.000 1.004 391 S HN 0.556 nan 8.310 nan 0.000 0.475 392 F N 4.043 123.747 119.950 -0.411 0.000 2.427 392 F HA 0.561 5.088 4.527 -0.001 0.000 0.346 392 F C -1.485 173.999 175.800 -0.527 0.000 1.120 392 F CA -1.460 56.293 58.000 -0.411 0.000 1.033 392 F CB 0.444 39.200 39.000 -0.407 0.000 1.126 392 F HN 0.520 nan 8.300 nan 0.000 0.462 393 Y N 5.530 125.535 120.300 -0.492 0.000 2.328 393 Y HA 0.401 4.951 4.550 -0.001 0.000 0.333 393 Y C -0.072 175.453 175.900 -0.625 0.000 0.958 393 Y CA -0.859 56.961 58.100 -0.467 0.000 1.167 393 Y CB 1.409 39.676 38.460 -0.320 0.000 1.151 393 Y HN 0.714 nan 8.280 nan 0.000 0.470 394 C N 5.785 124.814 119.300 -0.451 0.000 2.307 394 C HA 0.402 4.862 4.460 -0.001 0.000 0.340 394 C C 0.992 176.049 174.990 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 -0.451 0.000 2.372 394 C HN 0.981 nan 8.230 nan 0.000 0.531 395 L N 4.412 125.760 121.223 0.209 0.000 2.554 395 L HA 0.150 4.489 4.340 -0.001 0.000 0.226 395 L C 2.260 179.185 176.870 0.093 0.000 1.137 395 L CA 1.256 56.082 54.840 -0.023 0.000 0.863 395 L CB -0.439 41.163 42.059 -0.762 0.000 0.985 395 L HN 0.690 nan 8.230 nan 0.000 0.451 396 E N -1.551 118.851 120.200 0.336 0.000 2.435 396 E HA -0.142 4.208 4.350 -0.001 0.000 0.195 396 E C 1.155 177.869 176.600 0.189 0.000 1.029 396 E CA 0.499 57.095 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 -0.134 120.159 120.300 -0.011 0.000 2.495 397 Y HA 0.121 4.670 4.550 -0.001 0.000 0.293 397 Y C -0.396 175.273 175.900 -0.385 0.000 1.186 397 Y CA -0.321 57.676 58.100 -0.172 0.000 1.266 397 Y CB -0.005 38.319 38.460 -0.226 0.000 1.101 397 Y HN -0.229 nan 8.280 nan 0.000 0.517 398 F N 0.998 120.699 119.950 -0.415 0.000 2.495 398 F HA 0.433 4.960 4.527 -0.001 0.000 0.327 398 F C -2.171 173.285 175.800 -0.572 0.000 1.103 398 F CA -3.138 54.472 58.000 -0.651 0.000 0.949 398 F CB 0.903 39.170 39.000 -1.222 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 -0.052 62.955 63.100 -0.156 0.000 0.763 399 P CB 0.567 32.199 31.700 -0.113 0.000 0.806 400 S N 1.699 117.395 115.700 -0.007 0.000 2.548 400 S HA 0.396 4.866 4.470 -0.001 0.000 0.286 400 S C -0.828 173.875 174.600 0.172 0.000 1.098 400 S CA -1.036 57.249 58.200 0.142 0.000 0.930 400 S CB 1.620 64.978 63.200 0.264 0.000 1.070 400 S HN 0.440 nan 8.310 nan 0.000 0.480 401 Q N 1.880 121.814 119.800 0.223 0.000 2.288 401 Q HA 0.392 4.731 4.340 -0.001 0.000 0.258 401 Q C -0.958 175.149 176.000 0.178 0.000 0.957 401 Q CA -0.169 55.760 55.803 0.211 0.000 0.919 401 Q CB 0.508 29.434 28.738 0.315 0.000 1.185 401 Q HN 0.719 nan 8.270 nan 0.000 0.408 402 M N 4.485 124.168 119.600 0.139 0.000 2.209 402 M HA 0.330 4.810 4.480 -0.001 0.000 0.355 402 M C -1.220 175.146 176.300 0.111 0.000 1.171 402 M CA -0.716 54.650 55.300 0.111 0.000 1.069 402 M CB 0.952 33.601 32.600 0.081 0.000 1.622 402 M HN 0.451 nan 8.290 nan 0.000 0.459 403 L N 2.845 124.132 121.223 0.107 0.000 2.362 403 L HA 0.592 4.931 4.340 -0.001 0.000 0.275 403 L C -0.137 176.785 176.870 0.088 0.000 0.998 403 L CA -0.336 54.574 54.840 0.116 0.000 0.820 403 L CB 1.704 43.856 42.059 0.154 0.000 1.270 403 L HN 0.598 nan 8.230 nan 0.000 0.415 404 R N -0.035 120.511 120.500 0.076 0.000 2.602 404 R HA 0.656 4.996 4.340 -0.001 0.000 0.237 404 R C -0.471 175.866 176.300 0.061 0.000 1.219 404 R CA -0.543 55.590 56.100 0.055 0.000 1.121 404 R CB 0.959 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 0.629 115.207 114.554 0.040 0.000 2.817 405 T HA 0.339 4.688 4.350 -0.001 0.000 0.295 405 T C 0.808 175.538 174.700 0.048 0.000 0.958 405 T CA 0.983 63.106 62.100 0.038 0.000 1.157 405 T CB 0.632 69.508 68.868 0.012 0.000 0.898 405 T HN 0.772 nan 8.240 nan 0.000 0.536 406 G N 3.712 112.553 108.800 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 0.209 175.160 174.900 0.084 0.000 0.994 406 G CA -0.679 44.462 45.100 0.069 0.000 0.637 406 G HN 0.600 nan 8.290 nan 0.000 0.505 407 N N 1.728 120.486 118.700 0.097 0.000 2.445 407 N HA 0.563 5.302 4.740 -0.001 0.000 0.264 407 N C 0.109 175.717 175.510 0.162 0.000 1.227 407 N CA 0.390 53.511 53.050 0.117 0.000 0.963 407 N CB 0.889 39.447 38.487 0.118 0.000 1.188 407 N HN 0.760 nan 8.380 nan 0.000 0.491 408 N N -0.674 118.135 118.700 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 -0.562 52.634 53.050 0.243 0.000 0.858 408 N CB 1.293 39.908 38.487 0.213 0.000 1.459 408 N HN 0.366 nan 8.380 nan 0.000 0.532 409 F N 0.121 120.158 119.950 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 41.139 39.000 0.164 0.000 1.161 409 F HN 0.577 nan 8.300 nan 0.000 0.445 410 Q N 5.093 124.533 119.800 -0.600 0.000 2.377 410 Q HA 0.676 5.015 4.340 -0.001 0.000 0.271 410 Q C -2.048 173.716 176.000 -0.393 0.000 1.077 410 Q CA -0.643 54.954 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 0.662 120.474 119.950 -0.229 0.000 2.669 411 F HA 0.581 5.108 4.527 -0.001 0.000 0.315 411 F C -1.595 174.204 175.800 -0.001 0.000 1.109 411 F CA -0.239 57.699 58.000 -0.103 0.000 1.028 411 F CB 1.494 40.535 39.000 0.068 0.000 1.287 411 F HN 0.505 nan 8.300 nan 0.000 0.452 412 S N 4.602 119.809 115.700 -0.822 0.000 2.536 412 S HA 0.609 5.078 4.470 -0.001 0.000 0.287 412 S C -2.043 172.081 174.600 -0.793 0.000 1.101 412 S CA -0.624 57.197 58.200 -0.630 0.000 0.950 412 S CB 1.991 64.987 63.200 -0.341 0.000 1.056 412 S HN 0.643 nan 8.310 nan 0.000 0.481 413 Y N 0.987 120.897 120.300 -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 57.379 58.100 -0.554 0.000 1.025 413 Y CB 1.784 39.919 38.460 -0.541 0.000 1.275 413 Y HN 0.550 nan 8.280 nan 0.000 0.460 414 T N 6.531 120.370 114.554 -1.192 0.000 2.815 414 T HA 0.410 4.759 4.350 -0.001 0.000 0.289 414 T C -0.821 173.201 174.700 -1.129 0.000 1.000 414 T CA -0.403 61.190 62.100 -0.845 0.000 0.958 414 T CB 0.095 68.675 68.868 -0.480 0.000 0.944 414 T HN 0.411 nan 8.240 nan 0.000 0.442 415 F N 2.593 122.147 119.950 -0.660 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 -0.307 0.000 1.178 415 F CA -0.460 57.312 58.000 -0.379 0.000 1.301 415 F CB 0.572 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 -0.152 120.047 120.200 -0.002 0.000 2.359 416 E HA 0.229 4.579 4.350 -0.001 0.000 0.255 416 E C -1.315 175.262 176.600 -0.039 0.000 1.191 416 E CA -0.964 55.414 56.400 -0.037 0.000 0.952 416 E CB 0.379 30.080 29.700 0.002 0.000 1.152 416 E HN 0.358 nan 8.360 nan 0.000 0.496 417 D N 0.635 121.006 120.400 -0.049 0.000 2.342 417 D HA 0.181 4.820 4.640 -0.001 0.000 0.260 417 D C -1.136 175.137 176.300 -0.046 0.000 1.278 417 D CA 0.200 54.162 54.000 -0.062 0.000 0.910 417 D CB 0.986 41.757 40.800 -0.047 0.000 1.079 417 D HN 0.218 nan 8.370 nan 0.000 0.496 418 V N 4.422 124.293 119.914 -0.072 0.000 2.577 418 V HA 0.445 4.564 4.120 -0.001 0.000 0.303 418 V C -2.454 173.633 176.094 -0.011 0.000 1.042 418 V CA -2.383 59.917 62.300 0.001 0.000 0.872 418 V CB 2.051 33.924 31.823 0.083 0.000 0.998 418 V HN 0.325 nan 8.190 nan 0.000 0.423 419 P HA 0.077 nan 4.420 nan 0.000 0.266 419 P C -0.522 176.871 177.300 0.155 0.000 1.186 419 P CA 0.332 63.480 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 0.822 120.870 119.950 0.164 0.000 2.595 420 F HA 0.018 4.544 4.527 -0.001 0.000 0.359 420 F C 1.786 177.668 175.800 0.136 0.000 1.147 420 F CA 0.481 58.593 58.000 0.186 0.000 1.341 420 F CB -0.055 39.031 39.000 0.143 0.000 1.104 420 F HN 0.423 nan 8.300 nan 0.000 0.603 421 H N 0.890 120.032 119.070 0.119 0.000 2.679 421 H HA 0.198 4.754 4.556 -0.001 0.000 0.369 421 H C -0.368 174.963 175.328 0.006 0.000 1.178 421 H CA -0.434 55.528 56.048 -0.145 0.000 1.419 421 H CB 0.688 30.132 29.762 -0.530 0.000 1.458 421 H HN 0.471 nan 8.280 nan 0.000 0.605 422 S N 2.418 117.550 115.700 -0.946 0.000 2.416 422 S HA 0.084 4.554 4.470 -0.001 0.000 0.302 422 S C 0.123 174.417 174.600 -0.510 0.000 1.120 422 S CA -0.403 57.414 58.200 -0.637 0.000 1.067 422 S CB 0.306 62.968 63.200 -0.897 0.000 1.057 422 S HN 0.592 nan 8.310 nan 0.000 0.518 423 S N 2.961 118.672 115.700 0.019 0.000 2.602 423 S HA 0.257 4.726 4.470 -0.001 0.000 0.246 423 S C -0.185 174.494 174.600 0.131 0.000 1.009 423 S CA -0.554 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 -1.717 118.461 120.300 -0.203 0.000 2.638 424 Y HA 0.891 5.441 4.550 -0.001 0.000 0.339 424 Y C -0.818 174.875 175.900 -0.345 0.000 1.084 424 Y CA -1.886 56.022 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 1.087 123.753 122.820 -0.256 0.000 2.414 425 A HA 0.540 4.860 4.320 -0.001 0.000 0.306 425 A C -1.504 175.960 177.584 -0.199 0.000 1.054 425 A CA -0.890 50.965 52.037 -0.304 0.000 0.724 425 A CB 0.684 19.590 19.000 -0.155 0.000 1.267 425 A HN 0.843 nan 8.150 nan 0.000 0.418 426 H N 1.802 120.850 119.070 -0.038 0.000 2.764 426 H HA 0.123 4.679 4.556 -0.001 0.000 0.341 426 H C 1.360 176.684 175.328 -0.008 0.000 1.072 426 H CA 1.000 57.048 56.048 -0.001 0.000 1.444 426 H CB 1.348 31.104 29.762 -0.010 0.000 1.458 426 H HN 0.783 nan 8.280 nan 0.000 0.572 427 S N 2.206 117.977 115.700 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 -0.088 58.157 58.200 0.076 0.000 0.912 427 S CB 0.487 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 0.386 120.232 119.800 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 -0.802 55.026 55.803 0.042 0.000 0.872 428 Q CB 1.904 30.658 28.738 0.026 0.000 1.383 428 Q HN 0.264 nan 8.270 nan 0.000 0.478 429 S N -0.372 115.333 115.700 0.008 0.000 2.526 429 S HA 0.326 4.795 4.470 -0.001 0.000 0.293 429 S C 0.686 175.281 174.600 -0.009 0.000 1.092 429 S CA -0.565 57.633 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 2.300 123.514 121.223 -0.015 0.000 2.137 430 L HA -0.167 4.173 4.340 -0.001 0.000 0.213 430 L C 1.919 178.807 176.870 0.030 0.000 1.085 430 L CA 2.066 56.915 54.840 0.015 0.000 0.760 430 L CB -0.224 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 -1.632 118.771 120.400 0.005 0.000 2.355 431 D HA -0.081 4.559 4.640 -0.001 0.000 0.206 431 D C 0.881 177.174 176.300 -0.011 0.000 1.010 431 D CA 0.130 54.126 54.000 -0.008 0.000 0.875 431 D CB 0.032 40.817 40.800 -0.025 0.000 0.966 431 D HN 0.152 nan 8.370 nan 0.000 0.512 432 R N 1.172 121.670 120.500 -0.004 0.000 4.017 432 R HA 0.236 4.575 4.340 -0.001 0.000 0.272 432 R C 0.556 176.859 176.300 0.006 0.000 1.516 432 R CA -0.272 55.827 56.100 -0.003 0.000 1.519 432 R CB 0.447 30.747 30.300 -0.000 0.000 1.422 432 R HN 0.199 nan 8.270 nan 0.000 0.719 433 L N 0.481 121.710 121.223 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 0.853 55.707 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 -0.874 118.725 119.600 -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 54.923 55.300 -0.011 0.000 0.959 434 M CB -0.806 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 0.764 119.456 118.700 -0.013 0.000 2.408 435 N HA 0.301 5.041 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 -1.705 51.340 53.050 -0.008 0.000 0.952 435 N CB 0.705 39.189 38.487 -0.005 0.000 1.093 435 N HN 0.344 nan 8.380 nan 0.000 0.490 436 P HA -0.019 nan 4.420 nan 0.000 0.225 436 P C 0.814 178.109 177.300 -0.007 0.000 1.148 436 P CA 0.642 63.737 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 -2.123 119.096 121.223 -0.005 0.000 2.470 437 L HA 0.141 4.481 4.340 -0.001 0.000 0.219 437 L C 1.022 177.890 176.870 -0.003 0.000 1.071 437 L CA 0.685 55.523 54.840 -0.003 0.000 0.850 437 L CB -0.284 41.775 42.059 -0.001 0.000 1.040 437 L HN -0.126 nan 8.230 nan 0.000 0.475 438 I N -0.684 119.883 120.570 -0.006 0.000 2.607 438 I HA 0.308 4.478 4.170 -0.001 0.000 0.305 438 I C -0.527 175.578 176.117 -0.019 0.000 0.995 438 I CA -0.839 60.458 61.300 -0.006 0.000 1.148 438 I CB 1.291 39.292 38.000 0.001 0.000 1.323 438 I HN -0.062 nan 8.210 nan 0.000 0.461 439 D N 2.936 123.325 120.400 -0.019 0.000 2.253 439 D HA 0.370 5.010 4.640 -0.001 0.000 0.249 439 D C 0.188 176.450 176.300 -0.064 0.000 1.049 439 D CA -0.346 53.630 54.000 -0.040 0.000 0.929 439 D CB 0.849 41.628 40.800 -0.036 0.000 1.176 439 D HN 0.351 nan 8.370 nan 0.000 0.437 440 Q N 0.131 119.861 119.800 -0.118 0.000 2.500 440 Q HA 0.165 4.505 4.340 -0.001 0.000 0.215 440 Q C 0.132 176.034 176.000 -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 29.043 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 -0.185 175.707 175.900 -0.013 0.000 1.168 441 Y CA -0.510 57.568 58.100 -0.037 0.000 1.226 441 Y CB 0.379 38.847 38.460 0.013 0.000 1.177 441 Y HN 0.173 nan 8.280 nan 0.000 0.527 442 L N 0.979 122.156 121.223 -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 0.395 120.737 120.300 0.070 0.000 2.468 443 Y HA 0.468 5.017 4.550 -0.001 0.000 0.342 443 Y C -0.412 175.575 175.900 0.145 0.000 1.021 443 Y CA -0.619 57.513 58.100 0.054 0.000 1.079 443 Y CB 1.853 40.293 38.460 -0.032 0.000 1.226 443 Y HN 0.393 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 -1.628 174.483 175.900 0.352 0.000 1.029 444 Y CA -1.868 56.371 58.100 0.232 0.000 1.080 444 Y CB 1.148 39.670 38.460 0.103 0.000 1.284 444 Y HN 0.546 nan 8.280 nan 0.000 0.485 445 L N 3.250 124.725 121.223 0.420 0.000 2.257 445 L HA 0.410 4.750 4.340 -0.001 0.000 0.290 445 L C -0.034 176.915 176.870 0.133 0.000 1.044 445 L CA -0.078 54.846 54.840 0.140 0.000 0.810 445 L CB 0.587 42.700 42.059 0.091 0.000 1.193 445 L HN 1.045 nan 8.230 nan 0.000 0.425 446 N N 2.575 121.278 118.700 0.005 0.000 2.210 446 N HA 0.164 4.903 4.740 -0.001 0.000 0.203 446 N C -0.383 175.124 175.510 -0.005 0.000 1.175 446 N CA -0.658 52.452 53.050 0.101 0.000 0.894 446 N CB 0.584 39.210 38.487 0.232 0.000 1.041 446 N HN 0.335 nan 8.380 nan 0.000 0.506 447 R N 1.049 121.488 120.500 -0.102 0.000 2.476 447 R HA 0.257 4.597 4.340 -0.001 0.000 0.305 447 R C 0.073 176.288 176.300 -0.141 0.000 0.965 447 R CA -0.318 55.721 56.100 -0.101 0.000 0.867 447 R CB 1.488 31.727 30.300 -0.101 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 -0.091 0.000 3.042 448 T HA -0.063 4.287 4.350 -0.001 0.000 0.245 448 T C 1.301 175.960 174.700 -0.068 0.000 1.029 448 T CA 0.492 62.540 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 0.590 nan 8.240 nan 0.000 0.467 449 Q N 1.066 120.835 119.800 -0.052 0.000 2.577 449 Q HA 0.360 4.700 4.340 -0.001 0.000 0.242 449 Q C 1.510 177.488 176.000 -0.038 0.000 0.818 449 Q CA -0.014 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 1.742 110.522 108.800 -0.034 0.000 2.151 450 G HA2 0.272 4.231 3.960 -0.001 0.000 0.269 450 G HA3 0.272 4.231 3.960 -0.001 0.000 0.269 450 G C -0.420 174.461 174.900 -0.032 0.000 1.069 450 G CA 0.856 45.939 45.100 -0.028 0.000 1.080 450 G HN 0.369 nan 8.290 nan 0.000 0.405 451 T N 0.736 115.274 114.554 -0.026 0.000 2.551 451 T HA 0.332 4.682 4.350 -0.001 0.000 0.249 451 T C 0.673 175.362 174.700 -0.017 0.000 0.851 451 T CA -0.578 61.507 62.100 -0.025 0.000 1.149 451 T CB 0.607 69.459 68.868 -0.027 0.000 1.456 451 T HN 0.184 nan 8.240 nan 0.000 0.514 452 T N 2.856 117.401 114.554 -0.015 0.000 3.826 452 T HA 0.121 4.470 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 68.210 68.868 -0.009 0.000 1.153 452 T HN 0.532 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 -0.010 0.000 1.611 453 S HN 0.811 nan 8.310 nan 0.000 0.483 454 G N 2.013 110.809 108.800 -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 -0.120 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 1.582 116.132 114.554 -0.006 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 0.556 62.653 62.100 -0.005 0.000 1.009 455 T CB 1.253 70.118 68.868 -0.004 0.000 0.955 455 T HN 0.509 nan 8.240 nan 0.000 0.452 456 T N 3.277 117.827 114.554 -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 62.676 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 0.278 120.070 119.800 -0.012 0.000 2.036 458 Q HA 0.042 4.381 4.340 -0.001 0.000 0.195 458 Q C 0.326 176.316 176.000 -0.017 0.000 0.971 458 Q CA 0.843 56.638 55.803 -0.013 0.000 0.826 458 Q CB -0.073 28.658 28.738 -0.011 0.000 0.896 458 Q HN 0.337 nan 8.270 nan 0.000 0.449 459 S N -1.046 114.642 115.700 -0.020 0.000 2.596 459 S HA 0.786 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 3.082 66.267 63.200 -0.025 0.000 1.130 459 S HN 0.423 nan 8.310 nan 0.000 0.467 460 R N 0.218 120.689 120.500 -0.048 0.000 2.687 460 R HA 0.415 4.754 4.340 -0.001 0.000 0.265 460 R C -2.096 174.141 176.300 -0.105 0.000 1.048 460 R CA -0.769 55.296 56.100 -0.058 0.000 0.884 460 R CB 1.008 31.278 30.300 -0.050 0.000 1.258 460 R HN 0.781 nan 8.270 nan 0.000 0.469 461 L N 5.140 126.289 121.223 -0.123 0.000 2.259 461 L HA 0.450 4.790 4.340 -0.001 0.000 0.288 461 L C -0.675 175.945 176.870 -0.416 0.000 1.051 461 L CA -0.432 54.249 54.840 -0.264 0.000 0.824 461 L CB 0.848 42.814 42.059 -0.154 0.000 1.206 461 L HN 0.345 nan 8.230 nan 0.000 0.429 462 L N 3.666 124.559 121.223 -0.550 0.000 2.365 462 L HA 0.590 4.930 4.340 -0.001 0.000 0.273 462 L C -0.921 175.562 176.870 -0.646 0.000 1.000 462 L CA -0.459 54.116 54.840 -0.441 0.000 0.819 462 L CB 1.965 43.905 42.059 -0.199 0.000 1.284 462 L HN 0.303 nan 8.230 nan 0.000 0.418 463 F N 0.299 120.213 119.950 -0.060 0.000 2.520 463 F HA 0.518 5.045 4.527 -0.001 0.000 0.322 463 F C 0.317 176.069 175.800 -0.081 0.000 1.103 463 F CA -0.526 57.424 58.000 -0.083 0.000 0.926 463 F CB 2.230 41.205 39.000 -0.042 0.000 1.154 463 F HN 0.266 nan 8.300 nan 0.000 0.453 464 S N 1.561 117.153 115.700 -0.179 0.000 2.503 464 S HA 0.308 4.778 4.470 -0.001 0.000 0.301 464 S C -0.826 173.510 174.600 -0.439 0.000 1.087 464 S CA -0.802 57.228 58.200 -0.284 0.000 1.042 464 S CB 1.666 64.618 63.200 -0.413 0.000 1.043 464 S HN 0.658 nan 8.310 nan 0.000 0.489 465 Q N 2.379 121.960 119.800 -0.365 0.000 2.286 465 Q HA 0.529 4.869 4.340 -0.001 0.000 0.257 465 Q C -0.179 175.700 176.000 -0.202 0.000 0.941 465 Q CA -0.708 54.651 55.803 -0.741 0.000 0.912 465 Q CB 0.788 28.968 28.738 -0.929 0.000 1.192 465 Q HN 0.759 nan 8.270 nan 0.000 0.410 466 A N 3.166 125.961 122.820 -0.041 0.000 2.565 466 A HA 0.459 4.779 4.320 -0.001 0.000 0.237 466 A C 0.314 177.899 177.584 0.002 0.000 1.053 466 A CA 0.765 52.873 52.037 0.119 0.000 0.755 466 A CB 0.037 19.046 19.000 0.015 0.000 0.980 466 A HN 0.863 nan 8.150 nan 0.000 0.506 467 G N 1.155 109.972 108.800 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 -1.167 43.932 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 1.577 178.869 177.300 -0.012 0.000 1.145 468 P CA 1.118 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 -0.250 119.549 119.800 -0.002 0.000 1.994 469 Q HA -0.044 4.296 4.340 -0.001 0.000 0.198 469 Q C 1.331 177.330 176.000 -0.001 0.000 0.976 469 Q CA 1.556 57.361 55.803 0.003 0.000 0.828 469 Q CB -0.771 27.976 28.738 0.015 0.000 0.894 469 Q HN 0.295 nan 8.270 nan 0.000 0.432 470 S N 0.337 116.042 115.700 0.009 0.000 3.864 470 S HA 0.130 4.600 4.470 -0.001 0.000 0.202 470 S C 0.993 175.544 174.600 -0.082 0.000 1.402 470 S CA -0.205 57.983 58.200 -0.019 0.000 1.072 470 S CB -0.175 63.053 63.200 0.046 0.000 1.383 470 S HN 0.246 nan 8.310 nan 0.000 0.458 471 M N 2.111 121.674 119.600 -0.062 0.000 2.319 471 M HA -0.062 4.418 4.480 -0.001 0.000 0.265 471 M C 1.636 177.883 176.300 -0.090 0.000 1.068 471 M CA 1.353 56.613 55.300 -0.067 0.000 1.118 471 M CB -0.041 32.534 32.600 -0.043 0.000 1.395 471 M HN 0.685 nan 8.290 nan 0.000 0.435 472 S N -1.144 114.496 115.700 -0.101 0.000 2.574 472 S HA 0.260 4.730 4.470 -0.001 0.000 0.242 472 S C 0.840 175.343 174.600 -0.162 0.000 0.982 472 S CA -0.544 57.591 58.200 -0.109 0.000 0.977 472 S CB -0.158 62.993 63.200 -0.081 0.000 0.814 472 S HN 0.544 nan 8.310 nan 0.000 0.464 473 L N -0.226 120.848 121.223 -0.247 0.000 2.840 473 L HA 0.314 4.654 4.340 -0.001 0.000 0.249 473 L C 0.635 177.221 176.870 -0.474 0.000 1.119 473 L CA -0.230 54.357 54.840 -0.422 0.000 0.930 473 L CB 0.095 41.748 42.059 -0.677 0.000 1.295 473 L HN 0.264 nan 8.230 nan 0.000 0.534 474 Q N 1.349 120.961 119.800 -0.315 0.000 2.428 474 Q HA 0.278 4.617 4.340 -0.001 0.000 0.276 474 Q C 0.507 176.409 176.000 -0.164 0.000 1.059 474 Q CA -0.094 55.578 55.803 -0.218 0.000 0.923 474 Q CB 0.837 29.487 28.738 -0.146 0.000 1.283 474 Q HN 0.274 nan 8.270 nan 0.000 0.447 475 A N 2.075 124.822 122.820 -0.122 0.000 2.531 475 A HA 0.157 4.476 4.320 -0.001 0.000 0.236 475 A C 0.035 177.545 177.584 -0.124 0.000 1.062 475 A CA 0.261 52.236 52.037 -0.103 0.000 0.760 475 A CB 0.283 19.230 19.000 -0.090 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 0.345 176.507 176.300 -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 -0.453 118.025 118.700 -0.371 0.000 2.332 477 N HA 0.175 4.914 4.740 -0.001 0.000 0.190 477 N C -0.971 173.991 175.510 -0.913 0.000 1.117 477 N CA 0.343 52.923 53.050 -0.782 0.000 0.883 477 N CB 0.475 38.272 38.487 -1.150 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 56.540 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 1.940 123.356 121.223 0.323 0.000 2.322 479 L HA 0.626 4.966 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 0.578 42.768 42.059 0.218 0.000 1.295 479 L HN 0.049 nan 8.230 nan 0.000 0.438 480 P HA 0.223 nan 4.420 nan 0.000 0.275 480 P C -0.068 177.379 177.300 0.245 0.000 1.266 480 P CA -0.344 62.851 63.100 0.158 0.000 0.793 480 P CB 0.442 32.178 31.700 0.060 0.000 1.074 481 G N 0.596 109.540 108.800 0.241 0.000 2.684 481 G HA2 0.300 4.260 3.960 -0.001 0.000 0.255 481 G HA3 0.300 4.260 3.960 -0.001 0.000 0.255 481 G C -2.296 172.651 174.900 0.079 0.000 1.219 481 G CA -0.930 44.275 45.100 0.175 0.000 0.901 481 G HN 0.363 nan 8.290 nan 0.000 0.548 482 P HA 0.261 nan 4.420 nan 0.000 0.274 482 P C -0.039 177.202 177.300 -0.100 0.000 1.260 482 P CA -0.112 62.865 63.100 -0.204 0.000 0.793 482 P CB 0.828 32.313 31.700 -0.358 0.000 1.048 483 C N -0.815 118.414 119.300 -0.119 0.000 3.239 483 C HA 0.694 5.153 4.460 -0.001 0.000 0.317 483 C C -1.677 173.347 174.990 0.055 0.000 1.310 483 C CA -0.732 58.288 59.018 0.003 0.000 1.371 483 C CB 0.696 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 1.926 122.197 120.300 -0.049 0.000 2.484 484 Y HA 0.483 5.033 4.550 -0.001 0.000 0.348 484 Y C 0.418 176.312 175.900 -0.011 0.000 1.103 484 Y CA -0.313 57.764 58.100 -0.038 0.000 1.317 484 Y CB 0.433 38.876 38.460 -0.028 0.000 1.096 484 Y HN 1.034 nan 8.280 nan 0.000 0.568 485 R N 3.693 124.106 120.500 -0.146 0.000 2.500 485 R HA -0.002 4.338 4.340 -0.001 0.000 0.281 485 R C -0.382 175.872 176.300 -0.077 0.000 0.953 485 R CA 0.788 56.832 56.100 -0.093 0.000 1.108 485 R CB 0.502 30.730 30.300 -0.120 0.000 0.901 485 R HN 0.614 nan 8.270 nan 0.000 0.410 486 Q N 2.160 121.941 119.800 -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 -0.857 54.914 55.803 -0.055 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 1.140 120.895 119.800 -0.074 0.000 2.340 487 Q HA 0.151 4.491 4.340 -0.001 0.000 0.249 487 Q C -0.815 175.150 176.000 -0.058 0.000 0.957 487 Q CA 0.161 55.946 55.803 -0.031 0.000 0.882 487 Q CB 0.763 29.540 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 -1.185 175.097 176.300 -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 1.778 122.891 121.223 -0.185 0.000 2.341 489 L HA 0.434 4.773 4.340 -0.001 0.000 0.267 489 L C -0.250 176.515 176.870 -0.175 0.000 1.009 489 L CA -0.183 54.486 54.840 -0.285 0.000 0.819 489 L CB 2.020 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 0.096 115.763 115.700 -0.057 0.000 2.537 490 S HA 0.455 4.925 4.470 -0.001 0.000 0.301 490 S C 0.743 175.342 174.600 -0.002 0.000 1.092 490 S CA -0.570 57.521 58.200 -0.182 0.000 1.048 490 S CB 1.107 64.140 63.200 -0.277 0.000 1.053 490 S HN 0.641 nan 8.310 nan 0.000 0.501 491 K N 1.114 121.519 120.400 0.007 0.000 2.296 491 K HA 0.031 4.351 4.320 -0.001 0.000 0.200 491 K C 0.195 176.802 176.600 0.012 0.000 1.048 491 K CA 0.731 57.070 56.287 0.086 0.000 0.966 491 K CB -0.202 32.318 32.500 0.033 0.000 0.754 491 K HN 0.541 nan 8.250 nan 0.000 0.466 492 T N 1.750 116.275 114.554 -0.048 0.000 2.727 492 T HA 0.216 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 1.298 70.130 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 1.517 179.122 177.584 0.036 0.000 1.402 493 A CA -0.084 51.975 52.037 0.037 0.000 1.288 493 A CB -0.801 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 -2.555 116.163 118.700 0.030 0.000 1.952 494 N HA -0.033 4.706 4.740 -0.001 0.000 0.228 494 N C -0.517 175.015 175.510 0.036 0.000 1.398 494 N CA 0.180 53.248 53.050 0.031 0.000 0.817 494 N CB 0.111 38.609 38.487 0.019 0.000 1.101 494 N HN 0.141 nan 8.380 nan 0.000 0.498 495 D N 0.853 121.278 120.400 0.041 0.000 2.323 495 D HA 0.092 4.732 4.640 -0.001 0.000 0.209 495 D C 0.095 176.445 176.300 0.083 0.000 0.973 495 D CA 0.538 54.577 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 0.251 nan 8.370 nan 0.000 0.521 496 N N 1.059 119.811 118.700 0.087 0.000 2.463 496 N HA 0.033 4.773 4.740 -0.001 0.000 0.270 496 N C 0.068 175.615 175.510 0.061 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 -0.165 175.365 175.510 0.033 0.000 1.202 497 N CA 0.278 53.291 53.050 -0.063 0.000 0.926 497 N CB 0.139 38.470 38.487 -0.261 0.000 1.078 497 N HN 0.472 nan 8.380 nan 0.000 0.454 498 N N 1.638 120.353 118.700 0.024 0.000 3.210 498 N HA -0.023 4.716 4.740 -0.001 0.000 0.314 498 N C -0.845 174.705 175.510 0.068 0.000 1.291 498 N CA -0.276 52.807 53.050 0.054 0.000 1.202 498 N CB -0.031 38.475 38.487 0.032 0.000 1.475 498 N HN 0.475 nan 8.380 nan 0.000 0.554 499 S N 0.034 115.808 115.700 0.124 0.000 2.661 499 S HA 0.294 4.764 4.470 -0.001 0.000 0.285 499 S C -0.773 174.021 174.600 0.324 0.000 1.138 499 S CA -1.076 57.222 58.200 0.164 0.000 0.855 499 S CB 1.604 64.860 63.200 0.093 0.000 1.136 499 S HN 0.240 nan 8.310 nan 0.000 0.484 500 N N 0.743 119.598 118.700 0.259 0.000 2.699 500 N HA 0.420 5.159 4.740 -0.001 0.000 0.232 500 N C -0.601 175.064 175.510 0.258 0.000 1.027 500 N CA -1.037 52.140 53.050 0.212 0.000 0.920 500 N CB -0.286 38.266 38.487 0.110 0.000 1.148 500 N HN 0.678 nan 8.380 nan 0.000 0.509 501 F N 1.162 121.153 119.950 0.069 0.000 2.791 501 F HA 0.573 5.100 4.527 -0.001 0.000 0.308 501 F C -1.842 174.022 175.800 0.105 0.000 1.138 501 F CA -1.609 56.437 58.000 0.077 0.000 1.294 501 F CB 0.666 39.690 39.000 0.039 0.000 0.975 501 F HN 0.191 nan 8.300 nan 0.000 0.512 502 P HA -0.076 nan 4.420 nan 0.000 0.242 502 P C 0.779 178.186 177.300 0.178 0.000 1.197 502 P CA 1.106 64.160 63.100 -0.077 0.000 0.765 502 P CB -0.052 31.614 31.700 -0.056 0.000 0.936 503 W N -0.281 121.024 121.300 0.009 0.000 3.792 503 W HA 0.021 4.680 4.660 -0.001 0.000 0.217 503 W C 0.909 177.462 176.519 0.057 0.000 1.098 503 W CA 0.846 58.206 57.345 0.025 0.000 1.657 503 W CB -0.118 29.342 29.460 -0.000 0.000 0.773 503 W HN -0.099 nan 8.180 nan 0.000 0.836 504 T N -0.485 114.129 114.554 0.099 0.000 3.055 504 T HA 0.224 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 0.044 68.987 68.868 0.126 0.000 0.909 504 T HN 0.087 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 0.108 0.000 1.202 505 A CA -0.074 52.038 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 -0.007 122.849 122.820 0.060 0.000 2.279 506 A HA 0.670 4.990 4.320 -0.001 0.000 0.303 506 A C 0.376 177.996 177.584 0.061 0.000 1.108 506 A CA -0.245 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 0.793 116.585 115.700 0.152 0.000 2.549 507 S HA 0.452 4.922 4.470 -0.001 0.000 0.279 507 S C 0.007 174.736 174.600 0.216 0.000 1.321 507 S CA -0.218 58.101 58.200 0.198 0.000 1.054 507 S CB 0.172 63.551 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 -1.610 175.076 176.600 0.144 0.000 1.028 508 K CA -1.049 55.261 56.287 0.039 0.000 0.895 508 K CB 1.159 33.526 32.500 -0.222 0.000 1.534 508 K HN 0.582 nan 8.250 nan 0.000 0.421 509 Y N -1.676 118.648 120.300 0.041 0.000 2.638 509 Y HA 0.621 5.170 4.550 -0.001 0.000 0.339 509 Y C -1.094 174.880 175.900 0.123 0.000 1.084 509 Y CA -1.062 57.073 58.100 0.059 0.000 1.068 509 Y CB 1.640 40.084 38.460 -0.028 0.000 1.294 509 Y HN 0.749 nan 8.280 nan 0.000 0.480 510 H N 1.946 121.170 119.070 0.256 0.000 2.877 510 H HA 0.549 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 55.091 56.048 0.154 0.000 1.276 510 H CB 1.574 31.380 29.762 0.073 0.000 1.681 510 H HN 0.879 nan 8.280 nan 0.000 0.521 511 L N 4.176 125.484 121.223 0.141 0.000 2.305 511 L HA 0.184 4.523 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 1.070 43.227 42.059 0.164 0.000 1.227 511 L HN 0.866 nan 8.230 nan 0.000 0.417 512 N N 3.175 121.925 118.700 0.083 0.000 2.758 512 N HA -0.174 4.565 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 0.104 0.000 0.979 512 N HN 1.058 nan 8.380 nan 0.000 0.550 513 G N 0.007 109.019 108.800 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 0.594 45.874 45.100 0.300 0.000 0.869 513 G HN 0.750 nan 8.290 nan 0.000 0.502 514 R N 0.397 121.064 120.500 0.278 0.000 2.507 514 R HA 0.280 4.619 4.340 -0.001 0.000 0.298 514 R C -1.118 175.293 176.300 0.185 0.000 1.087 514 R CA -0.835 55.383 56.100 0.198 0.000 0.917 514 R CB 0.794 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 4.737 4.640 -0.001 0.000 0.250 515 D C -0.607 175.726 176.300 0.054 0.000 1.166 515 D CA 0.805 54.872 54.000 0.112 0.000 0.881 515 D CB 1.545 42.436 40.800 0.152 0.000 1.164 515 D HN 0.334 nan 8.370 nan 0.000 0.467 516 S N 1.633 117.156 115.700 -0.295 0.000 2.521 516 S HA 0.301 4.771 4.470 -0.001 0.000 0.295 516 S C -0.376 173.953 174.600 -0.451 0.000 1.098 516 S CA -0.763 57.189 58.200 -0.413 0.000 0.999 516 S CB 1.812 64.573 63.200 -0.732 0.000 1.034 516 S HN 0.295 nan 8.310 nan 0.000 0.483 517 L N 4.054 125.186 121.223 -0.152 0.000 2.418 517 L HA 0.308 4.647 4.340 -0.001 0.000 0.274 517 L C -0.242 176.572 176.870 -0.094 0.000 1.135 517 L CA 0.178 54.941 54.840 -0.127 0.000 0.870 517 L CB 0.530 42.534 42.059 -0.091 0.000 1.154 517 L HN 0.505 nan 8.230 nan 0.000 0.462 518 V N 6.866 126.794 119.914 0.022 0.000 2.054 518 V HA -0.003 4.117 4.120 -0.001 0.000 0.243 518 V C 1.367 177.555 176.094 0.157 0.000 1.480 518 V CA 0.119 62.515 62.300 0.160 0.000 1.440 518 V CB -0.954 30.986 31.823 0.195 0.000 1.489 518 V HN 0.914 nan 8.190 nan 0.000 0.502 519 N N 5.283 123.996 118.700 0.022 0.000 2.030 519 N HA -0.026 4.713 4.740 -0.001 0.000 0.194 519 N C -1.898 173.767 175.510 0.259 0.000 1.074 519 N CA 1.074 54.149 53.050 0.042 0.000 0.860 519 N CB -0.433 38.027 38.487 -0.046 0.000 1.055 519 N HN 0.357 nan 8.380 nan 0.000 0.429 520 P HA 0.278 nan 4.420 nan 0.000 0.291 520 P C -0.456 176.920 177.300 0.127 0.000 1.340 520 P CA -0.348 62.841 63.100 0.148 0.000 0.799 520 P CB 1.221 32.987 31.700 0.110 0.000 0.917 521 G N 4.834 113.715 108.800 0.135 0.000 2.509 521 G HA2 0.418 4.377 3.960 -0.001 0.000 0.269 521 G HA3 0.418 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 -1.674 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 -0.152 177.171 177.300 0.040 0.000 1.205 522 P CA 0.162 63.259 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 3.466 126.313 122.820 0.045 0.000 2.496 523 A HA 0.308 4.627 4.320 -0.001 0.000 0.278 523 A C 0.112 177.740 177.584 0.074 0.000 1.137 523 A CA 0.508 52.597 52.037 0.088 0.000 0.805 523 A CB -1.035 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 2.249 121.898 119.600 0.081 0.000 2.518 524 M HA 0.555 5.034 4.480 -0.001 0.000 0.300 524 M C 0.268 176.610 176.300 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 -0.171 51.877 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 0.936 nan 8.150 nan 0.000 0.493 526 S N 0.461 116.182 115.700 0.035 0.000 2.395 526 S HA 0.040 4.509 4.470 -0.001 0.000 0.225 526 S C 0.679 175.402 174.600 0.205 0.000 1.027 526 S CA 1.281 59.567 58.200 0.143 0.000 0.965 526 S CB -0.260 63.083 63.200 0.240 0.000 0.812 526 S HN 0.951 nan 8.310 nan 0.000 0.482 527 H N 0.250 119.384 119.070 0.107 0.000 3.037 527 H HA 0.498 5.054 4.556 -0.001 0.000 0.355 527 H C -1.212 174.160 175.328 0.075 0.000 1.263 527 H CA -1.188 54.924 56.048 0.107 0.000 1.129 527 H CB 0.973 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 0.773 121.271 120.400 0.162 0.000 2.179 528 K HA 0.224 4.544 4.320 -0.001 0.000 0.238 528 K C -0.601 176.102 176.600 0.172 0.000 1.033 528 K CA -0.774 55.564 56.287 0.086 0.000 0.926 528 K CB 0.650 33.179 32.500 0.048 0.000 1.151 528 K HN 0.327 nan 8.250 nan 0.000 0.492 529 D N 1.270 121.730 120.400 0.100 0.000 2.449 529 D HA -0.017 4.623 4.640 -0.001 0.000 0.236 529 D C -0.424 175.953 176.300 0.128 0.000 1.149 529 D CA 0.937 55.004 54.000 0.112 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 1.470 121.945 120.400 0.125 0.000 2.699 530 D HA -0.171 4.469 4.640 -0.001 0.000 0.239 530 D C 0.551 176.919 176.300 0.112 0.000 1.136 530 D CA 0.921 54.979 54.000 0.097 0.000 0.668 530 D CB -0.443 40.399 40.800 0.070 0.000 1.060 530 D HN 0.587 nan 8.370 nan 0.000 0.429 531 E N -0.718 119.559 120.200 0.129 0.000 3.470 531 E HA 0.092 4.441 4.350 -0.001 0.000 0.220 531 E C 0.645 177.202 176.600 -0.071 0.000 1.260 531 E CA -0.086 56.383 56.400 0.115 0.000 1.240 531 E CB 0.405 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 -0.408 0.000 3.916 532 E HA -0.264 4.085 4.350 -0.001 0.000 0.331 532 E C 0.769 177.152 176.600 -0.361 0.000 0.729 532 E CA 1.786 57.716 56.400 -0.783 0.000 1.222 532 E CB -1.045 28.456 29.700 -0.333 0.000 1.633 532 E HN 0.318 nan 8.360 nan 0.000 0.437 533 K N -0.981 119.284 120.400 -0.224 0.000 2.399 533 K HA 0.176 4.496 4.320 -0.001 0.000 0.196 533 K C 0.133 176.592 176.600 -0.235 0.000 1.103 533 K CA 0.114 56.259 56.287 -0.237 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 -0.171 175.704 175.800 0.126 0.000 1.120 534 F CA -1.338 56.685 58.000 0.039 0.000 1.144 534 F CB 0.674 39.680 39.000 0.010 0.000 1.133 534 F HN -0.000 nan 8.300 nan 0.000 0.495 535 F N 3.252 123.310 119.950 0.180 0.000 2.508 535 F HA 0.800 5.327 4.527 -0.001 0.000 0.325 535 F C -3.117 172.751 175.800 0.113 0.000 1.090 535 F CA -3.844 54.238 58.000 0.137 0.000 0.945 535 F CB 0.769 39.814 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 -0.269 176.990 177.300 -0.068 0.000 1.204 536 P CA -0.211 62.884 63.100 -0.007 0.000 0.768 536 P CB 0.638 32.373 31.700 0.058 0.000 0.842 537 M N 5.646 125.112 119.600 -0.223 0.000 2.734 537 M HA -0.072 4.407 4.480 -0.001 0.000 0.356 537 M C 1.082 177.094 176.300 -0.480 0.000 1.790 537 M CA 0.812 55.958 55.300 -0.257 0.000 1.231 537 M CB -1.405 31.039 32.600 -0.260 0.000 2.102 537 M HN 0.604 nan 8.290 nan 0.000 0.463 538 H N 0.846 120.034 119.070 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 0.584 56.721 56.048 0.149 0.000 1.158 538 H CB -2.176 27.643 29.762 0.094 0.000 1.325 538 H HN 0.880 nan 8.280 nan 0.000 0.366 539 G N 0.920 109.756 108.800 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 0.147 0.000 1.196 539 G CA 0.408 45.564 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 -1.616 173.912 175.510 0.031 0.000 1.452 540 N CA -0.871 52.246 53.050 0.110 0.000 0.882 540 N CB 0.941 39.498 38.487 0.116 0.000 1.425 540 N HN -0.189 nan 8.380 nan 0.000 0.517 541 L N 0.397 121.597 121.223 -0.037 0.000 2.371 541 L HA 0.521 4.861 4.340 -0.001 0.000 0.272 541 L C 0.017 176.646 176.870 -0.401 0.000 1.124 541 L CA -0.045 54.663 54.840 -0.220 0.000 0.816 541 L CB 0.321 42.234 42.059 -0.244 0.000 1.129 541 L HN 0.515 nan 8.230 nan 0.000 0.448 542 I N 2.787 123.058 120.570 -0.498 0.000 2.499 542 I HA 0.358 4.527 4.170 -0.001 0.000 0.288 542 I C -1.000 174.805 176.117 -0.520 0.000 1.048 542 I CA -0.385 60.660 61.300 -0.425 0.000 1.062 542 I CB 1.477 39.341 38.000 -0.227 0.000 1.238 542 I HN 0.295 nan 8.210 nan 0.000 0.426 543 F N 2.914 122.817 119.950 -0.079 0.000 2.443 543 F HA 0.618 5.145 4.527 -0.001 0.000 0.335 543 F C 0.991 176.757 175.800 -0.057 0.000 1.104 543 F CA -0.737 57.232 58.000 -0.053 0.000 1.013 543 F CB 1.854 40.825 39.000 -0.048 0.000 1.136 543 F HN 0.409 nan 8.300 nan 0.000 0.470 544 G N 2.752 111.637 108.800 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 -0.502 174.419 174.900 0.036 0.000 1.172 544 G CA -0.715 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 0.697 121.094 120.400 -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 -0.074 56.189 56.287 -0.040 0.000 0.887 545 K CB 0.548 33.014 32.500 -0.057 0.000 0.997 545 K HN 0.495 nan 8.250 nan 0.000 0.510 546 E N 0.534 120.693 120.200 -0.069 0.000 2.351 546 E HA 0.100 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 0.118 29.762 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 -0.410 174.479 174.900 -0.020 0.000 0.989 547 G CA 0.095 45.184 45.100 -0.019 0.000 1.252 547 G HN 0.629 nan 8.290 nan 0.000 0.483 548 T N 1.403 115.950 114.554 -0.012 0.000 3.578 548 T HA 0.459 4.809 4.350 -0.001 0.000 0.343 548 T C 0.349 175.043 174.700 -0.009 0.000 1.126 548 T CA -0.089 62.002 62.100 -0.014 0.000 1.092 548 T CB 1.179 70.037 68.868 -0.017 0.000 1.160 548 T HN 0.795 nan 8.240 nan 0.000 0.469 549 T N 2.510 117.058 114.554 -0.011 0.000 2.939 549 T HA 0.168 4.517 4.350 -0.001 0.000 0.312 549 T C 1.629 176.323 174.700 -0.010 0.000 1.064 549 T CA 0.279 62.373 62.100 -0.010 0.000 1.136 549 T CB 0.474 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 2.519 125.334 122.820 -0.008 0.000 2.206 550 A HA 0.219 4.539 4.320 -0.001 0.000 0.211 550 A C 1.425 178.999 177.584 -0.018 0.000 1.158 550 A CA 0.261 52.291 52.037 -0.011 0.000 0.761 550 A CB 0.163 19.158 19.000 -0.007 0.000 0.801 550 A HN 0.608 nan 8.150 nan 0.000 0.473 551 S N 0.143 115.832 115.700 -0.018 0.000 2.530 551 S HA 0.417 4.887 4.470 -0.001 0.000 0.322 551 S C -0.461 174.127 174.600 -0.020 0.000 1.085 551 S CA -0.703 57.484 58.200 -0.022 0.000 1.096 551 S CB -0.301 62.885 63.200 -0.022 0.000 0.988 551 S HN 0.539 nan 8.310 nan 0.000 0.466 552 N N 2.265 120.952 118.700 -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 0.662 53.701 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 1.212 124.021 122.820 -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 1.026 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 0.120 120.308 120.200 -0.020 0.000 2.408 554 E HA 0.180 4.529 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 -0.172 56.216 56.400 -0.020 0.000 0.929 554 E CB 0.573 30.261 29.700 -0.019 0.000 0.971 554 E HN 0.553 nan 8.360 nan 0.000 0.438 555 L N 2.430 123.637 121.223 -0.027 0.000 2.265 555 L HA -0.105 4.234 4.340 -0.001 0.000 0.215 555 L C 0.762 177.601 176.870 -0.053 0.000 1.117 555 L CA 1.798 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 -0.705 119.670 120.400 -0.041 0.000 2.349 556 D HA -0.038 4.602 4.640 -0.001 0.000 0.224 556 D C 0.920 177.193 176.300 -0.045 0.000 1.029 556 D CA 0.328 54.302 54.000 -0.043 0.000 0.879 556 D CB -0.008 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 0.051 118.725 118.700 -0.044 0.000 2.205 557 N HA 0.025 4.765 4.740 -0.001 0.000 0.201 557 N C 0.238 175.723 175.510 -0.041 0.000 1.128 557 N CA 0.068 53.093 53.050 -0.041 0.000 0.867 557 N CB 1.608 40.075 38.487 -0.033 0.000 0.996 557 N HN 0.097 nan 8.380 nan 0.000 0.503 558 V N -2.116 117.767 119.914 -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 2.446 34.226 31.823 -0.072 0.000 1.080 558 V HN -0.185 nan 8.190 nan 0.000 0.444 559 M N 2.845 122.425 119.600 -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 -0.055 0.000 0.947 559 M CA -0.135 55.153 55.300 -0.021 0.000 0.918 559 M CB 1.675 34.301 32.600 0.043 0.000 1.504 559 M HN 0.554 nan 8.290 nan 0.000 0.420 560 I N 2.355 122.852 120.570 -0.121 0.000 2.428 560 I HA 0.370 4.539 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 60.511 61.300 -0.179 0.000 1.260 560 I CB 1.798 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 0.298 114.786 114.554 -0.110 0.000 2.767 561 T HA 0.307 4.657 4.350 -0.001 0.000 0.288 561 T C -0.554 174.182 174.700 0.059 0.000 0.963 561 T CA -0.847 61.202 62.100 -0.084 0.000 1.019 561 T CB 1.464 70.164 68.868 -0.281 0.000 0.923 561 T HN 0.372 nan 8.240 nan 0.000 0.468 562 D N 2.170 122.649 120.400 0.132 0.000 2.274 562 D HA 0.204 4.843 4.640 -0.001 0.000 0.239 562 D C -0.087 176.337 176.300 0.207 0.000 1.104 562 D CA -0.421 53.698 54.000 0.198 0.000 0.840 562 D CB 0.930 41.868 40.800 0.230 0.000 1.100 562 D HN 0.454 nan 8.370 nan 0.000 0.477 563 E N 3.266 123.570 120.200 0.172 0.000 2.360 563 E HA 0.062 4.411 4.350 -0.001 0.000 0.253 563 E C 0.071 176.690 176.600 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 30.112 29.700 0.139 0.000 1.408 563 E HN 0.651 nan 8.360 nan 0.000 0.464 564 E N -0.356 119.845 120.200 0.003 0.000 2.501 564 E HA 0.099 4.448 4.350 -0.001 0.000 0.200 564 E C 0.302 176.869 176.600 -0.054 0.000 1.016 564 E CA 0.035 56.377 56.400 -0.098 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 0.082 4.431 4.350 -0.001 0.000 0.194 565 E C 1.703 178.277 176.600 -0.044 0.000 0.996 565 E CA 0.413 56.782 56.400 -0.052 0.000 0.869 565 E CB 0.113 29.764 29.700 -0.082 0.000 0.835 565 E HN 0.533 nan 8.360 nan 0.000 0.493 566 I N -1.890 118.665 120.570 -0.024 0.000 3.855 566 I HA 0.249 4.418 4.170 -0.001 0.000 0.327 566 I C 1.036 177.164 176.117 0.019 0.000 1.359 566 I CA -0.125 61.179 61.300 0.006 0.000 1.142 566 I CB 0.113 38.126 38.000 0.022 0.000 1.041 566 I HN -0.127 nan 8.210 nan 0.000 0.403 567 R N 1.492 121.988 120.500 -0.006 0.000 2.249 567 R HA -0.093 4.247 4.340 -0.001 0.000 0.230 567 R C 1.998 178.300 176.300 0.005 0.000 1.121 567 R CA 1.910 58.002 56.100 -0.013 0.000 0.997 567 R CB -0.363 29.916 30.300 -0.035 0.000 0.867 567 R HN 0.655 nan 8.270 nan 0.000 0.465 568 T N -3.816 110.752 114.554 0.024 0.000 3.057 568 T HA 0.017 4.367 4.350 -0.001 0.000 0.254 568 T C 1.682 176.388 174.700 0.009 0.000 1.094 568 T CA 0.941 63.053 62.100 0.020 0.000 1.088 568 T CB 0.377 69.270 68.868 0.042 0.000 0.934 568 T HN 0.267 nan 8.240 nan 0.000 0.497 569 T N -1.592 112.984 114.554 0.036 0.000 2.964 569 T HA 0.316 4.665 4.350 -0.001 0.000 0.249 569 T C 0.322 175.078 174.700 0.093 0.000 1.000 569 T CA -0.475 61.653 62.100 0.047 0.000 0.992 569 T CB -0.252 68.650 68.868 0.057 0.000 1.087 569 T HN 0.339 nan 8.240 nan 0.000 0.489 570 N N 2.183 120.932 118.700 0.082 0.000 2.319 570 N HA 0.608 5.348 4.740 -0.001 0.000 0.305 570 N C -3.104 172.439 175.510 0.054 0.000 1.103 570 N CA -1.898 51.207 53.050 0.092 0.000 0.815 570 N CB 1.780 40.326 38.487 0.099 0.000 1.288 570 N HN 0.059 nan 8.380 nan 0.000 0.493 571 P HA 0.054 nan 4.420 nan 0.000 0.272 571 P C -0.697 176.627 177.300 0.040 0.000 1.230 571 P CA -0.384 62.740 63.100 0.041 0.000 0.788 571 P CB 0.559 32.334 31.700 0.125 0.000 0.949 572 V N 1.384 121.309 119.914 0.018 0.000 2.614 572 V HA 0.184 4.303 4.120 -0.001 0.000 0.291 572 V C 1.637 177.751 176.094 0.034 0.000 1.049 572 V CA 0.439 62.751 62.300 0.020 0.000 1.038 572 V CB 0.234 32.060 31.823 0.004 0.000 0.980 572 V HN 0.710 nan 8.190 nan 0.000 0.481 573 A N 3.794 126.640 122.820 0.043 0.000 1.902 573 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 573 A C 2.221 179.815 177.584 0.016 0.000 1.181 573 A CA 2.323 54.387 52.037 0.044 0.000 0.623 573 A CB -0.709 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 -2.564 111.993 114.554 0.005 0.000 3.014 574 T HA 0.067 4.417 4.350 -0.001 0.000 0.263 574 T C 0.764 175.438 174.700 -0.044 0.000 1.078 574 T CA 0.428 62.510 62.100 -0.029 0.000 1.135 574 T CB -0.161 68.683 68.868 -0.040 0.000 0.895 574 T HN 0.379 nan 8.240 nan 0.000 0.480 575 E N 2.393 122.574 120.200 -0.031 0.000 2.376 575 E HA 0.210 4.560 4.350 -0.001 0.000 0.254 575 E C 0.558 177.147 176.600 -0.018 0.000 1.213 575 E CA -0.321 56.056 56.400 -0.038 0.000 0.945 575 E CB 0.477 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 -0.329 119.459 119.800 -0.020 0.000 2.700 576 Q HA -0.014 4.326 4.340 -0.001 0.000 0.191 576 Q C 0.656 176.691 176.000 0.059 0.000 1.134 576 Q CA 0.044 55.853 55.803 0.010 0.000 1.193 576 Q CB 0.163 28.899 28.738 -0.003 0.000 1.250 576 Q HN 0.622 nan 8.270 nan 0.000 0.670 577 Y N -1.289 118.987 120.300 -0.041 0.000 2.351 577 Y HA 0.411 4.961 4.550 -0.001 0.000 0.291 577 Y C 0.635 176.521 175.900 -0.024 0.000 1.153 577 Y CA 1.153 59.235 58.100 -0.030 0.000 1.193 577 Y CB 0.831 39.271 38.460 -0.032 0.000 1.187 577 Y HN 0.802 nan 8.280 nan 0.000 0.524 578 G N -1.194 107.635 108.800 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 0.178 114.748 114.554 0.027 0.000 2.879 579 T HA 0.613 4.963 4.350 -0.001 0.000 0.290 579 T C -0.855 173.866 174.700 0.034 0.000 0.993 579 T CA -0.229 61.885 62.100 0.022 0.000 0.975 579 T CB 1.658 70.526 68.868 -0.001 0.000 0.981 579 T HN 0.616 nan 8.240 nan 0.000 0.439 580 V N 2.165 122.098 119.914 0.031 0.000 2.680 580 V HA 0.851 4.971 4.120 -0.001 0.000 0.309 580 V C 0.348 176.452 176.094 0.016 0.000 1.052 580 V CA -1.203 61.113 62.300 0.028 0.000 0.908 580 V CB 1.729 33.569 31.823 0.028 0.000 1.001 580 V HN 1.063 nan 8.190 nan 0.000 0.431 581 A N 3.160 125.989 122.820 0.015 0.000 2.322 581 A HA 0.676 4.996 4.320 -0.001 0.000 0.269 581 A C 0.425 178.014 177.584 0.008 0.000 1.094 581 A CA -0.379 51.664 52.037 0.011 0.000 0.807 581 A CB 0.179 19.186 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 4.861 4.740 -0.001 0.000 0.284 582 N C -1.200 174.312 175.510 0.003 0.000 1.716 582 N CA -0.418 52.634 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 0.739 nan 8.380 nan 0.000 0.501 583 N N -0.206 118.496 118.700 0.004 0.000 3.355 583 N HA 0.203 4.942 4.740 -0.001 0.000 0.238 583 N C -1.729 173.784 175.510 0.006 0.000 1.466 583 N CA -0.583 52.469 53.050 0.004 0.000 0.882 583 N CB 0.721 39.209 38.487 0.002 0.000 1.406 583 N HN 0.047 nan 8.380 nan 0.000 0.500 584 L N 1.406 122.632 121.223 0.005 0.000 2.417 584 L HA 0.273 4.613 4.340 -0.001 0.000 0.258 584 L C 0.118 176.991 176.870 0.006 0.000 1.088 584 L CA -0.851 53.993 54.840 0.007 0.000 0.975 584 L CB 0.510 42.573 42.059 0.007 0.000 1.341 584 L HN 0.601 nan 8.230 nan 0.000 0.431 585 Q N 2.014 121.817 119.800 0.006 0.000 2.349 585 Q HA 0.408 4.747 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 -0.004 55.801 55.803 0.004 0.000 0.918 585 Q CB 1.139 29.880 28.738 0.004 0.000 1.242 585 Q HN 0.558 nan 8.270 nan 0.000 0.405 586 S N 0.468 116.169 115.700 0.002 0.000 2.757 586 S HA 0.429 4.898 4.470 -0.001 0.000 0.285 586 S C 0.447 175.046 174.600 -0.000 0.000 1.196 586 S CA -0.308 57.893 58.200 0.002 0.000 0.856 586 S CB 0.322 63.524 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 4.379 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 1.105 59.304 58.200 -0.002 0.000 0.983 587 S CB -0.873 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 1.536 120.235 118.700 -0.001 0.000 2.300 588 N HA 0.044 4.783 4.740 -0.001 0.000 0.179 588 N C -0.053 175.456 175.510 -0.002 0.000 1.016 588 N CA 0.926 53.975 53.050 -0.001 0.000 0.876 588 N CB -0.136 38.351 38.487 -0.001 0.000 0.979 588 N HN 0.423 nan 8.380 nan 0.000 0.432 589 T N 0.416 114.970 114.554 -0.001 0.000 2.807 589 T HA 0.616 4.966 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 -0.807 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 4.942 127.760 122.820 -0.003 0.000 2.328 590 A HA 0.624 4.944 4.320 -0.001 0.000 0.284 590 A C -2.157 175.425 177.584 -0.002 0.000 1.160 590 A CA -1.664 50.371 52.037 -0.003 0.000 0.818 590 A CB -0.259 18.739 19.000 -0.004 0.000 1.087 590 A HN 0.579 nan 8.150 nan 0.000 0.504 591 P HA 0.077 nan 4.420 nan 0.000 0.261 591 P C -0.319 176.980 177.300 -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 31.976 31.700 0.001 0.000 0.785 592 T N 2.560 117.114 114.554 -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 61.875 62.100 -0.002 0.000 1.042 592 T CB 0.959 69.825 68.868 -0.003 0.000 0.973 592 T HN 0.235 nan 8.240 nan 0.000 0.465 593 T N 3.353 117.905 114.554 -0.004 0.000 2.824 593 T HA 0.527 4.877 4.350 -0.001 0.000 0.282 593 T C -0.469 174.228 174.700 -0.005 0.000 0.993 593 T CA -0.761 61.337 62.100 -0.003 0.000 0.967 593 T CB 1.116 69.981 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 -0.837 175.463 176.300 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 3.376 117.927 114.554 -0.005 0.000 2.779 595 T HA 0.067 4.416 4.350 -0.001 0.000 0.296 595 T C -0.173 174.531 174.700 0.006 0.000 0.938 595 T CA -0.033 62.067 62.100 0.000 0.000 1.119 595 T CB 0.649 69.509 68.868 -0.012 0.000 0.891 595 T HN 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.843 125.779 119.914 0.036 0.000 2.408 596 V HA 0.272 4.392 4.120 -0.001 0.000 0.267 596 V C 0.602 176.716 176.094 0.033 0.000 1.047 596 V CA -0.345 61.976 62.300 0.034 0.000 0.937 596 V CB 0.461 32.329 31.823 0.075 0.000 0.999 596 V HN 0.834 nan 8.190 nan 0.000 0.472 597 N N 4.462 123.142 118.700 -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 0.614 39.040 38.487 -0.102 0.000 0.983 597 N HN 0.787 nan 8.380 nan 0.000 0.487 598 D N 0.649 120.963 120.400 -0.144 0.000 2.855 598 D HA 0.189 4.828 4.640 -0.001 0.000 0.241 598 D C -1.537 174.634 176.300 -0.216 0.000 1.277 598 D CA -0.352 53.543 54.000 -0.176 0.000 0.918 598 D CB 1.528 42.226 40.800 -0.170 0.000 1.462 598 D HN -0.254 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 29.800 28.738 -1.020 0.000 1.247 599 Q HN 0.529 nan 8.270 nan 0.000 0.455 600 G N 1.996 110.660 108.800 -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 -0.675 174.080 174.900 -0.242 0.000 1.487 600 G CA -0.046 44.924 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 -0.606 176.948 177.584 -0.050 0.000 1.164 601 A CA -0.405 51.518 52.037 -0.189 0.000 0.822 601 A CB 0.790 19.596 19.000 -0.323 0.000 1.130 601 A HN 0.511 nan 8.150 nan 0.000 0.496 602 L N 2.096 123.347 121.223 0.046 0.000 2.422 602 L HA 0.413 4.753 4.340 -0.001 0.000 0.264 602 L C -2.533 174.434 176.870 0.162 0.000 0.984 602 L CA -2.019 52.875 54.840 0.089 0.000 0.819 602 L CB 2.672 44.780 42.059 0.082 0.000 1.330 602 L HN 0.439 nan 8.230 nan 0.000 0.410 603 P HA 0.168 nan 4.420 nan 0.000 0.262 603 P C 0.680 178.102 177.300 0.204 0.000 1.199 603 P CA 0.678 63.883 63.100 0.174 0.000 0.763 603 P CB 0.722 32.500 31.700 0.130 0.000 0.790 604 G N 2.477 111.443 108.800 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 44.804 45.100 0.388 0.000 0.640 604 G HN 0.437 nan 8.290 nan 0.000 0.496 605 M N 1.500 121.296 119.600 0.327 0.000 2.239 605 M HA 0.478 4.958 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 0.212 55.724 55.300 0.353 0.000 1.114 605 M CB 1.278 34.090 32.600 0.353 0.000 1.641 605 M HN 0.591 nan 8.290 nan 0.000 0.453 606 V N 1.204 121.299 119.914 0.303 0.000 2.962 606 V HA 0.949 5.069 4.120 -0.001 0.000 0.313 606 V C -1.535 174.741 176.094 0.303 0.000 1.099 606 V CA -0.653 61.711 62.300 0.106 0.000 0.971 606 V CB 1.861 33.581 31.823 -0.170 0.000 1.028 606 V HN 1.126 nan 8.190 nan 0.000 0.430 607 W N 1.508 122.768 121.300 -0.067 0.000 2.959 607 W HA 0.852 5.512 4.660 -0.001 0.000 0.358 607 W C -1.299 175.193 176.519 -0.045 0.000 1.228 607 W CA -0.762 56.555 57.345 -0.047 0.000 1.183 607 W CB 1.388 30.826 29.460 -0.036 0.000 1.467 607 W HN 0.783 nan 8.180 nan 0.000 0.578 608 Q N 1.171 121.093 119.800 0.203 0.000 2.297 608 Q HA 0.456 4.796 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 -0.319 55.526 55.803 0.069 0.000 0.869 608 Q CB 1.724 30.467 28.738 0.010 0.000 1.346 608 Q HN 0.379 nan 8.270 nan 0.000 0.457 609 D N 0.125 120.583 120.400 0.096 0.000 2.440 609 D HA 0.365 5.005 4.640 -0.001 0.000 0.258 609 D C -0.462 175.907 176.300 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 0.562 121.153 120.500 0.151 0.000 2.679 610 R HA 0.076 4.416 4.340 -0.001 0.000 0.268 610 R C -0.133 176.259 176.300 0.152 0.000 1.044 610 R CA 0.071 56.260 56.100 0.149 0.000 1.105 610 R CB 0.335 30.736 30.300 0.168 0.000 0.989 610 R HN 0.416 nan 8.270 nan 0.000 0.447 611 D N 0.449 120.903 120.400 0.090 0.000 2.371 611 D HA 0.172 4.811 4.640 -0.001 0.000 0.242 611 D C -0.640 175.497 176.300 -0.272 0.000 1.218 611 D CA -0.192 53.783 54.000 -0.043 0.000 0.945 611 D CB 0.938 41.600 40.800 -0.230 0.000 1.137 611 D HN 0.196 nan 8.370 nan 0.000 0.464 612 V N -0.412 119.230 119.914 -0.453 0.000 2.715 612 V HA 0.615 4.735 4.120 -0.001 0.000 0.310 612 V C -1.145 174.667 176.094 -0.470 0.000 1.054 612 V CA -0.727 61.342 62.300 -0.385 0.000 0.928 612 V CB 1.099 32.690 31.823 -0.387 0.000 1.007 612 V HN 0.456 nan 8.190 nan 0.000 0.437 613 Y N 2.336 122.704 120.300 0.113 0.000 2.509 613 Y HA 0.576 5.125 4.550 -0.001 0.000 0.341 613 Y C 0.815 176.475 175.900 -0.401 0.000 1.038 613 Y CA -0.907 57.198 58.100 0.008 0.000 1.089 613 Y CB 1.791 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 -0.757 0.000 2.151 614 L HA -0.253 4.086 4.340 -0.001 0.000 0.215 614 L C 1.723 178.339 176.870 -0.424 0.000 1.084 614 L CA 2.071 56.094 54.840 -1.361 0.000 0.764 614 L CB -0.394 40.936 42.059 -1.216 0.000 0.891 614 L HN 0.822 nan 8.230 nan 0.000 0.435 615 Q N -1.212 118.462 119.800 -0.209 0.000 2.175 615 Q HA 0.316 4.656 4.340 -0.001 0.000 0.225 615 Q C 0.591 176.603 176.000 0.020 0.000 0.837 615 Q CA 0.349 56.168 55.803 0.027 0.000 1.032 615 Q CB -0.324 28.348 28.738 -0.109 0.000 1.137 615 Q HN 0.377 nan 8.270 nan 0.000 0.483 616 G N 2.044 110.981 108.800 0.228 0.000 2.522 616 G HA2 0.517 4.476 3.960 -0.001 0.000 0.304 616 G HA3 0.517 4.476 3.960 -0.001 0.000 0.304 616 G C -2.776 172.346 174.900 0.371 0.000 1.210 616 G CA -1.408 43.975 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 0.456 177.801 177.300 0.075 0.000 1.223 617 P CA -0.238 62.906 63.100 0.074 0.000 0.784 617 P CB 1.133 32.872 31.700 0.065 0.000 0.923 618 I N -0.516 119.936 120.570 -0.197 0.000 2.726 618 I HA 0.168 4.337 4.170 -0.001 0.000 0.243 618 I C 0.727 177.081 176.117 0.394 0.000 1.082 618 I CA 0.632 61.883 61.300 -0.082 0.000 1.447 618 I CB -0.382 37.559 38.000 -0.098 0.000 1.250 618 I HN 0.436 nan 8.210 nan 0.000 0.453 619 W N 1.058 122.512 121.300 0.256 0.000 3.207 619 W HA 0.823 5.483 4.660 -0.001 0.000 0.326 619 W C -1.180 175.470 176.519 0.219 0.000 1.190 619 W CA -1.200 56.324 57.345 0.298 0.000 1.011 619 W CB 0.816 30.475 29.460 0.331 0.000 1.511 619 W HN -0.034 nan 8.180 nan 0.000 0.606 620 A N 1.329 124.444 122.820 0.491 0.000 2.555 620 A HA 0.465 4.784 4.320 -0.001 0.000 0.297 620 A C -1.412 176.344 177.584 0.287 0.000 1.060 620 A CA -1.116 51.121 52.037 0.333 0.000 0.710 620 A CB 1.389 20.500 19.000 0.185 0.000 1.282 620 A HN 0.723 nan 8.150 nan 0.000 0.399 621 K N 2.299 122.824 120.400 0.208 0.000 2.412 621 K HA 0.388 4.708 4.320 -0.001 0.000 0.281 621 K C -0.654 175.913 176.600 -0.055 0.000 1.027 621 K CA -0.048 56.183 56.287 -0.094 0.000 0.989 621 K CB 0.146 32.404 32.500 -0.404 0.000 0.935 621 K HN 0.578 nan 8.250 nan 0.000 0.475 622 I N 7.758 128.243 120.570 -0.141 0.000 2.379 622 I HA 0.114 4.284 4.170 -0.001 0.000 0.290 622 I C -1.859 174.177 176.117 -0.134 0.000 1.063 622 I CA -2.283 58.922 61.300 -0.157 0.000 1.351 622 I CB 0.934 38.760 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 -0.516 176.858 177.300 0.124 0.000 1.182 623 P CA 0.181 63.319 63.100 0.064 0.000 0.761 623 P CB 0.194 31.956 31.700 0.103 0.000 0.795 624 H N 2.468 121.560 119.070 0.036 0.000 3.216 624 H HA 0.239 4.795 4.556 -0.001 0.000 0.263 624 H C 0.272 175.654 175.328 0.090 0.000 1.601 624 H CA 0.083 56.167 56.048 0.060 0.000 1.509 624 H CB -0.504 29.262 29.762 0.007 0.000 1.759 624 H HN 0.333 nan 8.280 nan 0.000 0.533 625 T N -0.462 114.106 114.554 0.024 0.000 2.905 625 T HA 0.151 4.501 4.350 -0.001 0.000 0.283 625 T C 0.929 175.488 174.700 -0.235 0.000 1.031 625 T CA -0.937 61.129 62.100 -0.057 0.000 1.002 625 T CB 1.292 70.139 68.868 -0.035 0.000 1.200 625 T HN 0.229 nan 8.240 nan 0.000 0.560 626 D N 0.454 120.745 120.400 -0.183 0.000 2.224 626 D HA 0.193 4.833 4.640 -0.001 0.000 0.205 626 D C 0.918 177.033 176.300 -0.308 0.000 0.965 626 D CA 1.092 54.977 54.000 -0.192 0.000 0.852 626 D CB -0.220 40.522 40.800 -0.098 0.000 0.947 626 D HN 0.812 nan 8.370 nan 0.000 0.494 627 G N -0.716 107.835 108.800 -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 -1.108 173.448 174.900 -0.574 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 5.109 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 0.419 nan 8.280 nan 0.000 0.556 629 F N 0.101 120.154 119.950 0.172 0.000 2.376 629 F HA 0.174 4.701 4.527 -0.001 0.000 0.234 629 F C 0.506 176.450 175.800 0.240 0.000 1.010 629 F CA 0.376 58.476 58.000 0.166 0.000 1.100 629 F CB 0.439 39.513 39.000 0.123 0.000 1.360 629 F HN 0.474 nan 8.300 nan 0.000 0.649 630 H N 2.174 121.263 119.070 0.032 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 0.103 0.000 1.298 630 H CA -1.885 54.157 56.048 -0.011 0.000 1.301 630 H CB 0.770 30.639 29.762 0.178 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 0.100 177.394 177.300 -0.009 0.000 1.451 631 P CA 0.285 63.364 63.100 -0.035 0.000 0.783 631 P CB -0.233 31.380 31.700 -0.146 0.000 1.490 632 S N 1.553 117.284 115.700 0.052 0.000 2.499 632 S HA 0.322 4.792 4.470 -0.001 0.000 0.275 632 S C -2.289 172.390 174.600 0.132 0.000 1.257 632 S CA -1.703 56.560 58.200 0.105 0.000 1.050 632 S CB -0.186 63.130 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 0.594 177.967 177.300 0.121 0.000 1.182 633 P CA 0.128 63.298 63.100 0.116 0.000 0.761 633 P CB 0.338 32.114 31.700 0.126 0.000 0.795 634 L N 2.248 123.537 121.223 0.110 0.000 2.201 634 L HA -0.092 4.248 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 1.363 56.269 54.840 0.111 0.000 0.775 634 L CB -0.473 41.638 42.059 0.087 0.000 0.913 634 L HN 0.471 nan 8.230 nan 0.000 0.440 635 M N -0.521 119.145 119.600 0.109 0.000 2.659 635 M HA 0.152 4.631 4.480 -0.001 0.000 0.243 635 M C 0.813 177.205 176.300 0.153 0.000 1.111 635 M CA 0.493 55.864 55.300 0.118 0.000 1.070 635 M CB -0.190 32.465 32.600 0.092 0.000 1.525 635 M HN 0.329 nan 8.290 nan 0.000 0.517 636 G N -0.205 108.678 108.800 0.139 0.000 2.619 636 G HA2 0.278 4.238 3.960 -0.001 0.000 0.686 636 G HA3 0.278 4.238 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 0.776 nan 8.290 nan 0.000 0.619 637 G N -1.030 107.764 108.800 -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 -0.446 174.331 174.900 -0.204 0.000 1.247 637 G CA 0.055 45.091 45.100 -0.108 0.000 1.020 637 G HN 1.722 nan 8.290 nan 0.000 0.529 638 F N 1.824 121.932 119.950 0.263 0.000 2.411 638 F HA 0.586 5.113 4.527 -0.001 0.000 0.352 638 F C 1.099 177.035 175.800 0.227 0.000 1.123 638 F CA 0.167 58.303 58.000 0.225 0.000 1.044 638 F CB 2.070 41.215 39.000 0.242 0.000 1.135 638 F HN 0.734 nan 8.300 nan 0.000 0.461 639 G N 4.879 113.846 108.800 0.278 0.000 2.320 639 G HA2 0.611 4.570 3.960 -0.001 0.000 0.300 639 G HA3 0.611 4.570 3.960 -0.001 0.000 0.300 639 G C -1.017 173.955 174.900 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 2.930 124.205 121.223 0.087 0.000 2.362 640 L HA 0.372 4.712 4.340 -0.001 0.000 0.275 640 L C 1.073 177.840 176.870 -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 0.435 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 0.281 176.383 176.600 -0.830 0.000 1.049 641 K CA 1.298 57.291 56.287 -0.490 0.000 0.931 641 K CB 0.062 32.294 32.500 -0.446 0.000 0.714 641 K HN 0.540 nan 8.250 nan 0.000 0.440 642 H N 0.269 119.170 119.070 -0.281 0.000 2.569 642 H HA 0.298 4.853 4.556 -0.001 0.000 0.247 642 H C -2.456 172.796 175.328 -0.126 0.000 1.346 642 H CA -2.122 53.701 56.048 -0.374 0.000 1.502 642 H CB 1.170 30.887 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 -0.434 0.000 1.261 643 P CA -1.879 61.045 63.100 -0.293 0.000 0.800 643 P CB 0.026 31.564 31.700 -0.270 0.000 1.066 644 P HA 0.023 nan 4.420 nan 0.000 0.258 644 P C -2.100 175.028 177.300 -0.286 0.000 1.172 644 P CA -0.271 62.106 63.100 -1.205 0.000 0.762 644 P CB -1.122 29.907 31.700 -1.118 0.000 0.764 645 P HA 0.031 nan 4.420 nan 0.000 0.272 645 P C -0.487 176.733 177.300 -0.134 0.000 1.240 645 P CA -0.039 63.013 63.100 -0.080 0.000 0.791 645 P CB 0.718 32.271 31.700 -0.244 0.000 0.978 646 Q N 0.628 120.326 119.800 -0.170 0.000 2.286 646 Q HA 0.331 4.671 4.340 -0.001 0.000 0.257 646 Q C -0.454 175.238 176.000 -0.514 0.000 0.941 646 Q CA -0.285 55.324 55.803 -0.323 0.000 0.912 646 Q CB 0.217 28.711 28.738 -0.406 0.000 1.192 646 Q HN 0.329 nan 8.270 nan 0.000 0.410 647 I N 3.038 123.339 120.570 -0.448 0.000 2.337 647 I HA 0.184 4.354 4.170 -0.001 0.000 0.285 647 I C -0.507 175.378 176.117 -0.387 0.000 1.041 647 I CA -0.207 60.776 61.300 -0.529 0.000 1.199 647 I CB 0.612 38.255 38.000 -0.595 0.000 1.370 647 I HN 0.478 nan 8.210 nan 0.000 0.470 648 M N 6.587 125.761 119.600 -0.709 0.000 2.274 648 M HA 0.551 5.030 4.480 -0.001 0.000 0.344 648 M C -0.647 175.636 176.300 -0.028 0.000 1.161 648 M CA -0.247 54.771 55.300 -0.469 0.000 1.126 648 M CB 1.205 33.173 32.600 -1.053 0.000 1.522 648 M HN 0.508 nan 8.290 nan 0.000 0.461 649 I N 3.114 123.834 120.570 0.250 0.000 2.722 649 I HA 0.682 4.852 4.170 -0.001 0.000 0.292 649 I C -1.833 174.284 176.117 -0.001 0.000 1.267 649 I CA -0.293 61.086 61.300 0.132 0.000 1.036 649 I CB 1.636 39.624 38.000 -0.020 0.000 1.281 649 I HN 0.679 nan 8.210 nan 0.000 0.423 650 K N 3.971 124.223 120.400 -0.246 0.000 2.578 650 K HA 0.558 4.878 4.320 -0.001 0.000 0.269 650 K C -1.905 174.519 176.600 -0.292 0.000 0.941 650 K CA -0.666 55.372 56.287 -0.415 0.000 0.847 650 K CB 0.706 32.582 32.500 -1.040 0.000 1.397 650 K HN 0.347 nan 8.250 nan 0.000 0.422 651 N N 1.307 119.910 118.700 -0.162 0.000 2.475 651 N HA 0.154 4.894 4.740 -0.001 0.000 0.267 651 N C -0.741 174.684 175.510 -0.142 0.000 1.169 651 N CA -0.213 52.786 53.050 -0.085 0.000 0.947 651 N CB 0.915 39.402 38.487 0.001 0.000 1.061 651 N HN 0.683 nan 8.380 nan 0.000 0.466 652 T N 3.656 118.127 114.554 -0.139 0.000 2.888 652 T HA 0.147 4.497 4.350 -0.001 0.000 0.301 652 T C -2.178 172.361 174.700 -0.269 0.000 1.001 652 T CA -0.699 61.291 62.100 -0.184 0.000 1.147 652 T CB 0.294 69.101 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 62.466 63.100 -0.840 0.000 0.762 653 P CB 0.343 31.434 31.700 -1.015 0.000 0.799 654 V N 7.064 126.927 119.914 -0.086 0.000 2.304 654 V HA 0.265 4.385 4.120 -0.001 0.000 0.278 654 V C -2.106 174.160 176.094 0.287 0.000 1.018 654 V CA -2.101 60.250 62.300 0.084 0.000 0.814 654 V CB 1.351 33.209 31.823 0.058 0.000 1.021 654 V HN 0.460 nan 8.190 nan 0.000 0.440 655 P HA 0.210 nan 4.420 nan 0.000 0.266 655 P C 0.003 177.362 177.300 0.099 0.000 1.195 655 P CA 0.415 63.515 63.100 -0.000 0.000 0.768 655 P CB 0.773 32.171 31.700 -0.503 0.000 0.838 656 A N 3.113 126.038 122.820 0.175 0.000 2.450 656 A HA 0.251 4.571 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 -0.334 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 1.063 119.824 118.700 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 -0.432 52.668 53.050 0.084 0.000 0.860 657 N CB 0.074 38.587 38.487 0.043 0.000 1.095 657 N HN 0.334 nan 8.380 nan 0.000 0.487 658 P HA 0.346 nan 4.420 nan 0.000 0.287 658 P C -2.540 174.796 177.300 0.060 0.000 1.270 658 P CA -1.311 61.876 63.100 0.145 0.000 0.844 658 P CB 0.411 32.248 31.700 0.229 0.000 1.068 659 P HA 0.180 nan 4.420 nan 0.000 0.275 659 P C 0.608 177.934 177.300 0.043 0.000 1.227 659 P CA -0.057 63.047 63.100 0.007 0.000 0.781 659 P CB 0.214 31.893 31.700 -0.033 0.000 0.906 660 T N -0.669 113.907 114.554 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 0.984 115.572 114.554 0.056 0.000 2.867 661 T HA 0.474 4.824 4.350 -0.001 0.000 0.282 661 T C -0.907 173.862 174.700 0.114 0.000 1.000 661 T CA -0.969 61.178 62.100 0.078 0.000 1.042 661 T CB 0.299 69.191 68.868 0.039 0.000 0.973 661 T HN 0.138 nan 8.240 nan 0.000 0.465 662 F N 4.630 124.587 119.950 0.011 0.000 2.506 662 F HA 0.489 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 0.354 39.367 39.000 0.022 0.000 1.099 662 F HN 0.399 nan 8.300 nan 0.000 0.548 663 S N 7.582 122.893 115.700 -0.649 0.000 2.498 663 S HA 0.503 4.972 4.470 -0.001 0.000 0.317 663 S C -1.684 172.410 174.600 -0.843 0.000 1.090 663 S CA -1.369 56.441 58.200 -0.650 0.000 1.089 663 S CB 1.286 64.293 63.200 -0.322 0.000 0.997 663 S HN 0.559 nan 8.310 nan 0.000 0.470 664 P HA 0.187 nan 4.420 nan 0.000 0.222 664 P C 0.293 177.493 177.300 -0.166 0.000 1.153 664 P CA 0.255 63.115 63.100 -0.400 0.000 0.798 664 P CB -0.108 31.465 31.700 -0.211 0.000 0.796 665 A N 0.870 123.585 122.820 -0.175 0.000 2.586 665 A HA -0.065 4.255 4.320 -0.001 0.000 0.231 665 A C 0.619 178.173 177.584 -0.051 0.000 1.055 665 A CA -0.025 51.952 52.037 -0.100 0.000 0.756 665 A CB -0.417 18.508 19.000 -0.125 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 0.003 0.000 2.524 666 K HA 0.013 4.332 4.320 -0.001 0.000 0.279 666 K C -0.731 175.903 176.600 0.057 0.000 0.993 666 K CA 0.255 56.586 56.287 0.074 0.000 1.030 666 K CB 0.041 32.596 32.500 0.091 0.000 0.891 666 K HN 0.485 nan 8.250 nan 0.000 0.488 667 F N 3.019 122.973 119.950 0.007 0.000 2.467 667 F HA 0.215 4.742 4.527 -0.001 0.000 0.362 667 F C 0.705 176.431 175.800 -0.124 0.000 1.090 667 F CA 0.605 58.549 58.000 -0.093 0.000 1.202 667 F CB 1.178 40.115 39.000 -0.104 0.000 1.113 667 F HN 0.667 nan 8.300 nan 0.000 0.541 668 A N 3.035 125.722 122.820 -0.221 0.000 2.474 668 A HA 0.156 4.475 4.320 -0.001 0.000 0.221 668 A C 0.513 177.983 177.584 -0.190 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 0.722 116.181 115.700 -0.402 0.000 2.411 669 S HA 0.639 5.109 4.470 -0.001 0.000 0.304 669 S C -0.974 173.511 174.600 -0.191 0.000 1.098 669 S CA -0.250 57.822 58.200 -0.214 0.000 1.068 669 S CB -0.620 62.448 63.200 -0.220 0.000 1.032 669 S HN 0.201 nan 8.310 nan 0.000 0.511 670 F N 3.363 123.450 119.950 0.228 0.000 2.579 670 F HA 0.554 5.081 4.527 -0.001 0.000 0.324 670 F C 0.418 176.307 175.800 0.147 0.000 1.058 670 F CA -1.195 56.931 58.000 0.209 0.000 0.944 670 F CB 1.306 40.460 39.000 0.256 0.000 1.245 670 F HN 0.295 nan 8.300 nan 0.000 0.477 671 I N 1.792 122.568 120.570 0.343 0.000 2.416 671 I HA 0.117 4.286 4.170 -0.001 0.000 0.288 671 I C 0.290 176.529 176.117 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 39.008 38.000 0.148 0.000 1.407 671 I HN 0.593 nan 8.210 nan 0.000 0.516 672 T N 4.400 119.043 114.554 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 0.110 0.000 0.966 672 T CA -0.601 61.567 62.100 0.114 0.000 1.141 672 T CB 0.906 69.818 68.868 0.074 0.000 0.905 672 T HN 0.745 nan 8.240 nan 0.000 0.535 673 Q N 2.056 121.923 119.800 0.112 0.000 2.527 673 Q HA 0.541 4.880 4.340 -0.001 0.000 0.280 673 Q C -1.708 174.383 176.000 0.150 0.000 0.977 673 Q CA -1.346 54.531 55.803 0.124 0.000 0.837 673 Q CB 1.236 30.006 28.738 0.052 0.000 1.454 673 Q HN 0.868 nan 8.270 nan 0.000 0.387 674 Y N -1.023 119.258 120.300 -0.033 0.000 2.633 674 Y HA 0.890 5.440 4.550 -0.001 0.000 0.339 674 Y C -0.792 175.097 175.900 -0.017 0.000 1.045 674 Y CA -0.719 57.355 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 -0.033 0.000 2.599 675 S HA 0.813 5.283 4.470 -0.001 0.000 0.294 675 S C -0.875 173.666 174.600 -0.098 0.000 1.094 675 S CA -0.451 57.692 58.200 -0.096 0.000 0.931 675 S CB 1.853 65.131 63.200 0.131 0.000 1.093 675 S HN 1.113 nan 8.310 nan 0.000 0.488 676 T N -0.313 113.997 114.554 -0.406 0.000 2.932 676 T HA 0.762 5.112 4.350 -0.001 0.000 0.318 676 T C -0.325 173.674 174.700 -1.168 0.000 1.265 676 T CA 0.236 61.831 62.100 -0.842 0.000 1.036 676 T CB 1.032 69.640 68.868 -0.433 0.000 1.209 676 T HN 1.686 nan 8.240 nan 0.000 0.484 677 G N 2.124 109.772 108.800 -1.920 0.000 2.489 677 G HA2 0.552 4.511 3.960 -0.001 0.000 0.305 677 G HA3 0.552 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 -0.667 43.730 45.100 -1.172 0.000 0.813 677 G HN 0.746 nan 8.290 nan 0.000 0.480 678 Q N -1.271 118.188 119.800 -0.569 0.000 2.215 678 Q HA 0.733 5.072 4.340 -0.001 0.000 0.256 678 Q C -0.586 175.219 176.000 -0.325 0.000 0.972 678 Q CA -0.707 54.811 55.803 -0.475 0.000 0.889 678 Q CB 2.398 30.731 28.738 -0.675 0.000 1.281 678 Q HN 0.785 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 0.799 4.918 4.120 -0.001 0.000 0.308 679 V C -1.412 174.591 176.094 -0.153 0.000 1.062 679 V CA -0.290 61.912 62.300 -0.163 0.000 0.901 679 V CB 2.266 34.098 31.823 0.015 0.000 1.003 679 V HN 0.696 nan 8.190 nan 0.000 0.425 680 S N 4.146 119.761 115.700 -0.141 0.000 2.526 680 S HA 0.878 5.347 4.470 -0.001 0.000 0.293 680 S C -1.415 173.052 174.600 -0.222 0.000 1.092 680 S CA -0.469 57.676 58.200 -0.091 0.000 0.980 680 S CB 1.709 64.972 63.200 0.105 0.000 1.048 680 S HN 0.852 nan 8.310 nan 0.000 0.483 681 V N 4.374 124.189 119.914 -0.166 0.000 2.524 681 V HA 0.476 4.596 4.120 -0.001 0.000 0.297 681 V C -0.495 175.549 176.094 -0.083 0.000 1.035 681 V CA -0.663 61.538 62.300 -0.165 0.000 0.867 681 V CB 1.590 33.211 31.823 -0.337 0.000 1.004 681 V HN 0.897 nan 8.190 nan 0.000 0.426 682 E N 5.347 125.499 120.200 -0.080 0.000 2.145 682 E HA 0.664 5.014 4.350 -0.001 0.000 0.270 682 E C -1.456 175.091 176.600 -0.087 0.000 0.906 682 E CA -0.508 55.848 56.400 -0.074 0.000 0.761 682 E CB 1.462 31.099 29.700 -0.104 0.000 1.116 682 E HN 0.659 nan 8.360 nan 0.000 0.408 683 I N 3.393 123.900 120.570 -0.104 0.000 2.509 683 I HA 0.284 4.454 4.170 -0.001 0.000 0.293 683 I C -0.239 175.670 176.117 -0.347 0.000 1.020 683 I CA -0.818 60.320 61.300 -0.270 0.000 1.088 683 I CB 2.082 39.810 38.000 -0.454 0.000 1.267 683 I HN 0.537 nan 8.210 nan 0.000 0.430 684 E N 5.385 125.330 120.200 -0.424 0.000 2.175 684 E HA 0.354 4.703 4.350 -0.001 0.000 0.278 684 E C -1.946 174.385 176.600 -0.448 0.000 0.969 684 E CA -0.615 55.609 56.400 -0.292 0.000 0.796 684 E CB 1.201 30.800 29.700 -0.169 0.000 1.104 684 E HN 0.393 nan 8.360 nan 0.000 0.395 685 W N 2.880 124.136 121.300 -0.073 0.000 2.587 685 W HA 0.305 4.965 4.660 -0.001 0.000 0.324 685 W C -0.095 176.462 176.519 0.063 0.000 1.040 685 W CA -0.756 56.592 57.345 0.006 0.000 1.222 685 W CB 1.208 30.729 29.460 0.102 0.000 1.381 685 W HN 0.462 nan 8.180 nan 0.000 0.483 686 E N 3.351 123.732 120.200 0.301 0.000 2.227 686 E HA 0.463 4.813 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 -0.399 56.203 56.400 0.336 0.000 0.823 686 E CB 0.772 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 3.679 125.180 121.223 0.463 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 -0.741 54.345 54.840 0.410 0.000 0.811 687 L CB 1.669 43.904 42.059 0.292 0.000 1.249 687 L HN 0.548 nan 8.230 nan 0.000 0.431 688 Q N 3.218 122.993 119.800 -0.042 0.000 2.368 688 Q HA 0.226 4.566 4.340 -0.001 0.000 0.256 688 Q C -0.819 175.111 176.000 -0.117 0.000 0.980 688 Q CA -0.780 54.823 55.803 -0.333 0.000 0.887 688 Q CB 1.115 29.414 28.738 -0.731 0.000 1.221 688 Q HN 0.341 nan 8.270 nan 0.000 0.458 689 K N 2.329 122.636 120.400 -0.155 0.000 2.258 689 K HA 0.064 4.384 4.320 -0.001 0.000 0.264 689 K C -0.158 176.147 176.600 -0.492 0.000 1.007 689 K CA -0.087 56.070 56.287 -0.217 0.000 0.941 689 K CB 0.926 33.320 32.500 -0.176 0.000 0.966 689 K HN 0.674 nan 8.250 nan 0.000 0.480 690 E N 2.221 122.038 120.200 -0.639 0.000 2.316 690 E HA -0.033 4.316 4.350 -0.001 0.000 0.275 690 E C -0.879 175.119 176.600 -1.003 0.000 1.029 690 E CA -0.005 55.606 56.400 -1.314 0.000 0.871 690 E CB 0.446 29.572 29.700 -0.957 0.000 1.022 690 E HN 0.412 nan 8.360 nan 0.000 0.418 691 N N 2.983 120.982 118.700 -1.169 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 -0.200 0.000 1.408 691 N CA -0.282 52.483 53.050 -0.476 0.000 0.780 691 N CB 0.962 39.278 38.487 -0.285 0.000 1.191 691 N HN 0.203 nan 8.380 nan 0.000 0.511 692 S N 1.037 116.645 115.700 -0.153 0.000 2.503 692 S HA 0.462 4.932 4.470 -0.001 0.000 0.301 692 S C 0.175 174.804 174.600 0.048 0.000 1.087 692 S CA -0.591 57.658 58.200 0.080 0.000 1.042 692 S CB 0.701 64.027 63.200 0.210 0.000 1.043 692 S HN 0.303 nan 8.310 nan 0.000 0.489 693 K N 2.152 122.607 120.400 0.092 0.000 2.440 693 K HA 0.150 4.470 4.320 -0.001 0.000 0.206 693 K C 0.267 176.950 176.600 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 0.989 121.570 120.500 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 0.247 56.440 56.100 0.154 0.000 1.056 694 R CB 0.037 30.420 30.300 0.138 0.000 0.939 694 R HN 0.287 nan 8.270 nan 0.000 0.411 695 W N 5.812 127.131 121.300 0.031 0.000 2.441 695 W HA -0.076 4.583 4.660 -0.001 0.000 0.302 695 W C -0.255 176.277 176.519 0.022 0.000 1.191 695 W CA 0.949 58.307 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 1.947 120.761 118.700 0.190 0.000 2.503 696 N HA 0.147 4.886 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 -1.298 51.802 53.050 0.083 0.000 0.959 696 N CB -0.390 38.193 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 -0.243 177.078 177.300 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 1.210 121.440 120.200 0.050 0.000 2.254 698 E HA 0.381 4.731 4.350 -0.001 0.000 0.261 698 E C 0.235 176.892 176.600 0.094 0.000 1.051 698 E CA -1.055 55.395 56.400 0.084 0.000 0.902 698 E CB 0.921 30.691 29.700 0.117 0.000 1.168 698 E HN 0.441 nan 8.360 nan 0.000 0.423 699 I N -0.954 119.684 120.570 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 -0.363 61.022 61.300 0.143 0.000 1.406 699 I CB 0.535 38.592 38.000 0.095 0.000 1.405 699 I HN 0.181 nan 8.210 nan 0.000 0.548 700 Q N 4.872 124.831 119.800 0.265 0.000 2.387 700 Q HA 0.307 4.646 4.340 -0.001 0.000 0.273 700 Q C -1.344 174.842 176.000 0.309 0.000 1.089 700 Q CA -0.807 55.158 55.803 0.270 0.000 0.824 700 Q CB 2.670 31.471 28.738 0.106 0.000 1.367 700 Q HN 0.796 nan 8.270 nan 0.000 0.443 701 Y N 0.832 121.086 120.300 -0.078 0.000 2.346 701 Y HA 0.301 4.850 4.550 -0.001 0.000 0.330 701 Y C -0.116 175.788 175.900 0.006 0.000 1.178 701 Y CA 0.849 58.907 58.100 -0.070 0.000 1.331 701 Y CB 0.971 39.168 38.460 -0.439 0.000 1.253 701 Y HN 0.620 nan 8.280 nan 0.000 0.529 702 T N 3.603 117.792 114.554 -0.608 0.000 2.840 702 T HA 0.444 4.793 4.350 -0.001 0.000 0.317 702 T C -1.224 173.237 174.700 -0.399 0.000 1.401 702 T CA -0.746 61.178 62.100 -0.293 0.000 1.028 702 T CB 0.843 69.658 68.868 -0.088 0.000 1.317 702 T HN 0.625 nan 8.240 nan 0.000 0.495 703 S N 1.858 117.505 115.700 -0.088 0.000 2.632 703 S HA 0.407 4.877 4.470 -0.001 0.000 0.271 703 S C 0.054 174.674 174.600 0.034 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 1.717 120.433 118.700 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 0.183 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 1.015 121.315 120.300 -0.000 0.000 2.574 705 Y HA 0.049 4.599 4.550 -0.001 0.000 0.294 705 Y C 0.064 175.968 175.900 0.007 0.000 1.142 705 Y CA -0.405 57.698 58.100 0.006 0.000 1.314 705 Y CB -0.235 38.227 38.460 0.003 0.000 0.991 705 Y HN 0.314 nan 8.280 nan 0.000 0.555 706 N N 2.824 121.154 118.700 -0.616 0.000 2.441 706 N HA -0.065 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 52.748 53.050 -0.505 0.000 0.898 706 N CB 0.556 38.787 38.487 -0.428 0.000 1.100 706 N HN 0.367 nan 8.380 nan 0.000 0.443 707 K N 0.872 121.189 120.400 -0.139 0.000 2.437 707 K HA -0.035 4.284 4.320 -0.001 0.000 0.277 707 K C -0.223 176.336 176.600 -0.067 0.000 1.073 707 K CA 0.420 56.666 56.287 -0.069 0.000 1.105 707 K CB 0.170 32.641 32.500 -0.048 0.000 0.881 707 K HN 0.441 nan 8.250 nan 0.000 0.475 708 S N 2.746 118.419 115.700 -0.046 0.000 2.634 708 S HA 0.351 4.821 4.470 -0.001 0.000 0.296 708 S C 0.860 175.442 174.600 -0.030 0.000 1.104 708 S CA -1.044 57.130 58.200 -0.042 0.000 0.920 708 S CB 1.570 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 2.712 122.606 119.914 -0.033 0.000 2.238 709 V HA 0.022 4.141 4.120 -0.001 0.000 0.235 709 V C 0.720 176.799 176.094 -0.026 0.000 1.037 709 V CA 1.386 63.668 62.300 -0.030 0.000 0.991 709 V CB -0.831 30.970 31.823 -0.036 0.000 0.638 709 V HN 0.825 nan 8.190 nan 0.000 0.457 710 N N -0.745 117.935 118.700 -0.034 0.000 2.466 710 N HA 0.478 5.218 4.740 -0.001 0.000 0.294 710 N C -1.030 174.466 175.510 -0.023 0.000 1.129 710 N CA -0.613 52.417 53.050 -0.033 0.000 0.931 710 N CB 2.059 40.513 38.487 -0.056 0.000 1.193 710 N HN 0.079 nan 8.380 nan 0.000 0.500 711 V N 1.395 121.308 119.914 -0.003 0.000 2.583 711 V HA 0.041 4.161 4.120 -0.001 0.000 0.287 711 V C -0.070 176.041 176.094 0.028 0.000 1.051 711 V CA -0.397 61.921 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 4.252 124.693 120.400 0.067 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 0.597 54.638 54.000 0.069 0.000 0.872 712 D CB -0.052 40.875 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 0.322 176.149 175.800 0.045 0.000 1.048 713 F CA 0.343 58.288 58.000 -0.092 0.000 1.134 713 F CB -1.764 37.298 39.000 0.103 0.000 1.440 713 F HN 0.163 nan 8.300 nan 0.000 0.799 714 T N -0.837 113.680 114.554 -0.061 0.000 2.792 714 T HA 0.687 5.036 4.350 -0.001 0.000 0.303 714 T C -0.180 174.471 174.700 -0.081 0.000 1.310 714 T CA -0.427 61.715 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 0.362 nan 8.240 nan 0.000 0.504 715 V N 0.385 120.256 119.914 -0.072 0.000 2.953 715 V HA 0.705 4.825 4.120 -0.001 0.000 0.304 715 V C 0.037 176.083 176.094 -0.080 0.000 1.073 715 V CA -0.631 61.592 62.300 -0.128 0.000 1.064 715 V CB 0.648 32.370 31.823 -0.168 0.000 1.047 715 V HN 0.990 nan 8.190 nan 0.000 0.478 716 D N 0.993 121.347 120.400 -0.077 0.000 2.589 716 D HA 0.293 4.933 4.640 -0.001 0.000 0.268 716 D C 1.420 177.698 176.300 -0.036 0.000 1.182 716 D CA 0.256 54.221 54.000 -0.058 0.000 1.087 716 D CB -0.007 40.753 40.800 -0.067 0.000 1.186 716 D HN 0.670 nan 8.370 nan 0.000 0.620 717 T N -2.147 112.388 114.554 -0.030 0.000 2.737 717 T HA -0.243 4.107 4.350 -0.001 0.000 0.269 717 T C 0.827 175.517 174.700 -0.016 0.000 1.040 717 T CA 1.667 63.755 62.100 -0.019 0.000 1.142 717 T CB -0.977 67.880 68.868 -0.019 0.000 0.861 717 T HN 0.605 nan 8.240 nan 0.000 0.456 718 N N 0.861 119.549 118.700 -0.019 0.000 2.380 718 N HA 0.440 5.180 4.740 -0.001 0.000 0.255 718 N C 0.688 176.190 175.510 -0.013 0.000 1.158 718 N CA -0.085 52.957 53.050 -0.013 0.000 0.878 718 N CB 0.082 38.562 38.487 -0.013 0.000 1.138 718 N HN 0.576 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 -0.761 174.122 174.900 -0.028 0.000 0.984 719 G CA 0.132 45.220 45.100 -0.021 0.000 1.339 719 G HN 0.356 nan 8.290 nan 0.000 0.485 720 V N 2.849 122.730 119.914 -0.054 0.000 2.532 720 V HA 0.366 4.486 4.120 -0.001 0.000 0.294 720 V C -0.042 176.002 176.094 -0.084 0.000 1.036 720 V CA -1.329 60.943 62.300 -0.047 0.000 0.876 720 V CB 1.520 33.319 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 0.493 5.043 4.550 -0.001 0.000 0.332 721 Y C 0.685 176.486 175.900 -0.165 0.000 1.177 721 Y CA 0.306 58.229 58.100 -0.294 0.000 1.422 721 Y CB 1.061 39.280 38.460 -0.401 0.000 1.271 721 Y HN 0.734 nan 8.280 nan 0.000 0.550 722 S N 4.396 119.586 115.700 -0.850 0.000 2.572 722 S HA 0.442 4.912 4.470 -0.001 0.000 0.274 722 S C -1.600 172.499 174.600 -0.834 0.000 1.150 722 S CA -1.189 56.627 58.200 -0.640 0.000 0.944 722 S CB 1.373 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 2.994 122.809 120.200 -0.642 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 -0.674 0.000 1.018 723 E CA -2.087 53.871 56.400 -0.735 0.000 0.817 723 E CB 0.737 30.284 29.700 -0.254 0.000 1.078 723 E HN 0.369 nan 8.360 nan 0.000 0.396 724 P HA -0.168 nan 4.420 nan 0.000 0.214 724 P C -0.012 177.123 177.300 -0.275 0.000 1.162 724 P CA 1.318 64.118 63.100 -0.501 0.000 0.879 724 P CB 0.228 31.634 31.700 -0.490 0.000 0.786 725 R N -2.014 118.367 120.500 -0.198 0.000 2.808 725 R HA 0.588 4.928 4.340 -0.001 0.000 0.272 725 R C -3.217 173.133 176.300 0.083 0.000 0.995 725 R CA -2.368 53.735 56.100 0.006 0.000 0.917 725 R CB 0.432 30.801 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 -0.595 176.834 177.300 0.214 0.000 1.216 726 P CA -0.257 62.870 63.100 0.044 0.000 0.771 726 P CB 0.481 32.176 31.700 -0.008 0.000 0.864 727 I N 2.695 123.413 120.570 0.246 0.000 2.339 727 I HA 0.309 4.479 4.170 -0.001 0.000 0.290 727 I C 1.273 177.747 176.117 0.595 0.000 0.994 727 I CA -0.264 61.243 61.300 0.345 0.000 1.191 727 I CB 0.853 38.908 38.000 0.091 0.000 1.343 727 I HN 0.415 nan 8.210 nan 0.000 0.458 728 G N 3.632 112.816 108.800 0.641 0.000 2.468 728 G HA2 0.243 4.203 3.960 -0.001 0.000 0.264 728 G HA3 0.243 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 45.682 45.100 0.468 0.000 1.060 728 G HN 0.572 nan 8.290 nan 0.000 0.543 729 T N -1.614 113.093 114.554 0.255 0.000 3.073 729 T HA 0.170 4.520 4.350 -0.001 0.000 0.264 729 T C 0.799 175.638 174.700 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 69.039 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 0.209 0.000 2.825 730 R HA 0.341 4.680 4.340 -0.001 0.000 0.261 730 R C -0.347 176.005 176.300 0.087 0.000 1.341 730 R CA -0.167 55.979 56.100 0.077 0.000 1.353 730 R CB 0.197 30.441 30.300 -0.094 0.000 1.191 730 R HN 0.338 nan 8.270 nan 0.000 0.590 731 Y N 0.213 120.539 120.300 0.044 0.000 2.559 731 Y HA 0.181 4.731 4.550 -0.001 0.000 0.279 731 Y C 0.952 176.903 175.900 0.084 0.000 1.117 731 Y CA 0.018 58.162 58.100 0.073 0.000 1.263 731 Y CB 0.584 39.099 38.460 0.092 0.000 1.230 731 Y HN 0.210 nan 8.280 nan 0.000 0.528 732 L N 0.842 122.230 121.223 0.274 0.000 2.439 732 L HA 0.320 4.659 4.340 -0.001 0.000 0.261 732 L C 0.444 177.389 176.870 0.125 0.000 1.153 732 L CA -0.399 54.613 54.840 0.286 0.000 0.808 732 L CB 0.918 43.300 42.059 0.538 0.000 1.126 732 L HN 0.081 nan 8.230 nan 0.000 0.460 733 T N -0.028 114.593 114.554 0.112 0.000 2.829 733 T HA 0.553 4.903 4.350 -0.001 0.000 0.280 733 T C -0.513 174.070 174.700 -0.195 0.000 0.999 733 T CA -0.898 61.182 62.100 -0.032 0.000 0.983 733 T CB 2.209 71.106 68.868 0.048 0.000 0.968 733 T HN 0.643 nan 8.240 nan 0.000 0.446 734 R N 2.075 122.377 120.500 -0.330 0.000 2.854 734 R HA 0.511 4.850 4.340 -0.001 0.000 0.271 734 R C -0.885 175.369 176.300 -0.077 0.000 0.994 734 R CA -0.699 55.160 56.100 -0.402 0.000 0.945 734 R CB 1.398 31.074 30.300 -1.040 0.000 1.194 734 R HN 0.761 nan 8.270 nan 0.000 0.476 735 N N 1.037 119.730 118.700 -0.013 0.000 2.463 735 N HA 0.285 5.024 4.740 -0.001 0.000 0.270 735 N C -0.136 175.438 175.510 0.107 0.000 1.205 735 N CA -0.393 52.696 53.050 0.066 0.000 0.974 735 N CB 0.576 39.091 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 0.052 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