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_I 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 0.604 121.026 120.400 0.038 0.000 2.808 219 D HA 0.703 5.342 4.640 -0.001 0.000 0.249 219 D C 0.700 177.019 176.300 0.031 0.000 1.151 219 D CA 0.220 54.238 54.000 0.031 0.000 1.089 219 D CB 1.416 42.235 40.800 0.032 0.000 1.295 219 D HN 0.669 nan 8.370 nan 0.000 0.631 220 G N -0.747 108.070 108.800 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 0.883 175.797 174.900 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 0.550 120.475 119.914 0.018 0.000 2.255 221 V HA 0.033 4.153 4.120 -0.001 0.000 0.243 221 V C 2.527 178.630 176.094 0.013 0.000 1.038 221 V CA 2.119 64.428 62.300 0.015 0.000 1.008 221 V CB -0.651 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 0.750 109.557 108.800 0.011 0.000 3.474 222 G HA2 0.147 4.107 3.960 -0.001 0.000 0.269 222 G HA3 0.147 4.107 3.960 -0.001 0.000 0.269 222 G C -0.029 174.879 174.900 0.014 0.000 1.339 222 G CA 0.022 45.128 45.100 0.010 0.000 1.258 222 G HN 0.472 nan 8.290 nan 0.000 0.560 223 N N -0.017 118.696 118.700 0.020 0.000 2.519 223 N HA 0.266 5.005 4.740 -0.001 0.000 0.291 223 N C -0.057 175.475 175.510 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 0.035 nan 8.380 nan 0.000 0.510 224 S N 1.543 117.268 115.700 0.043 0.000 2.549 224 S HA 0.085 4.554 4.470 -0.001 0.000 0.286 224 S C 0.834 175.479 174.600 0.075 0.000 1.314 224 S CA -0.223 58.018 58.200 0.070 0.000 1.062 224 S CB 0.665 63.910 63.200 0.075 0.000 0.865 224 S HN 0.611 nan 8.310 nan 0.000 0.498 225 S N 1.110 116.883 115.700 0.120 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 58.013 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 4.284 3.960 -0.001 0.000 0.299 226 G HA3 0.324 4.284 3.960 -0.001 0.000 0.299 226 G C -1.900 172.901 174.900 -0.166 0.000 1.435 226 G CA -1.072 43.852 45.100 -0.293 0.000 0.865 226 G HN 0.281 nan 8.290 nan 0.000 0.601 227 N N -1.028 117.485 118.700 -0.311 0.000 2.545 227 N HA 0.466 5.205 4.740 -0.001 0.000 0.289 227 N C -1.010 174.406 175.510 -0.157 0.000 1.279 227 N CA -0.849 52.094 53.050 -0.179 0.000 0.824 227 N CB 2.207 40.517 38.487 -0.294 0.000 1.395 227 N HN 0.532 nan 8.380 nan 0.000 0.526 228 W N 2.576 123.724 121.300 -0.253 0.000 2.367 228 W HA 0.189 4.849 4.660 -0.001 0.000 0.329 228 W C -1.055 175.293 176.519 -0.284 0.000 1.066 228 W CA 0.026 57.295 57.345 -0.126 0.000 1.435 228 W CB -0.087 29.343 29.460 -0.049 0.000 1.296 228 W HN 0.479 nan 8.180 nan 0.000 0.401 229 H N 5.317 124.293 119.070 -0.158 0.000 2.700 229 H HA 0.180 4.736 4.556 -0.001 0.000 0.269 229 H C -0.206 174.995 175.328 -0.211 0.000 1.222 229 H CA -0.216 55.762 56.048 -0.117 0.000 1.254 229 H CB 0.969 30.656 29.762 -0.126 0.000 1.413 229 H HN 0.165 nan 8.280 nan 0.000 0.507 230 C N 4.103 123.404 119.300 0.002 0.000 2.437 230 C HA 0.387 4.846 4.460 -0.001 0.000 0.307 230 C C -0.542 174.502 174.990 0.090 0.000 1.093 230 C CA -0.277 58.747 59.018 0.009 0.000 1.463 230 C CB -0.710 27.092 27.740 0.102 0.000 1.926 230 C HN 0.873 nan 8.230 nan 0.000 0.420 231 D N 1.920 122.348 120.400 0.046 0.000 2.665 231 D HA 0.712 5.352 4.640 -0.001 0.000 0.287 231 D C -1.289 175.013 176.300 0.002 0.000 1.266 231 D CA 0.179 54.208 54.000 0.048 0.000 0.830 231 D CB 2.295 43.135 40.800 0.066 0.000 1.356 231 D HN 0.595 nan 8.370 nan 0.000 0.437 232 S N 0.505 116.208 115.700 0.005 0.000 2.562 232 S HA 0.703 5.173 4.470 -0.001 0.000 0.274 232 S C -1.862 172.723 174.600 -0.026 0.000 1.160 232 S CA -0.811 57.347 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 0.423 nan 8.310 nan 0.000 0.468 233 Q N 1.418 121.158 119.800 -0.100 0.000 2.416 233 Q HA 0.746 5.086 4.340 -0.001 0.000 0.281 233 Q C -1.866 174.084 176.000 -0.082 0.000 1.067 233 Q CA -0.502 55.317 55.803 0.027 0.000 0.809 233 Q CB 0.484 29.266 28.738 0.073 0.000 1.418 233 Q HN 0.743 nan 8.270 nan 0.000 0.411 234 W N 1.422 122.741 121.300 0.031 0.000 2.512 234 W HA 0.577 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 0.487 nan 8.180 nan 0.000 0.567 235 L N 3.303 124.667 121.223 0.235 0.000 3.014 235 L HA 0.244 4.584 4.340 -0.001 0.000 0.263 235 L C 1.625 178.578 176.870 0.139 0.000 1.207 235 L CA 0.718 55.645 54.840 0.145 0.000 1.017 235 L CB -0.673 41.437 42.059 0.086 0.000 1.360 235 L HN 0.998 nan 8.230 nan 0.000 0.560 236 G N 1.048 109.963 108.800 0.191 0.000 2.451 236 G HA2 -0.434 3.526 3.960 -0.001 0.000 0.253 236 G HA3 -0.434 3.526 3.960 -0.001 0.000 0.253 236 G C 0.940 175.910 174.900 0.116 0.000 1.033 236 G CA 1.108 46.285 45.100 0.129 0.000 0.633 236 G HN 0.396 nan 8.290 nan 0.000 0.537 237 D N 0.026 120.497 120.400 0.118 0.000 2.449 237 D HA 0.225 4.865 4.640 -0.001 0.000 0.210 237 D C 1.098 177.489 176.300 0.150 0.000 1.094 237 D CA 0.937 55.002 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 -1.606 118.989 120.500 0.159 0.000 2.741 238 R HA 0.573 4.912 4.340 -0.001 0.000 0.276 238 R C -2.040 174.320 176.300 0.102 0.000 1.028 238 R CA -0.993 55.201 56.100 0.156 0.000 0.865 238 R CB 1.042 31.408 30.300 0.109 0.000 1.268 238 R HN -0.121 nan 8.270 nan 0.000 0.475 239 V N 1.671 121.607 119.914 0.037 0.000 2.760 239 V HA 0.594 4.714 4.120 -0.001 0.000 0.309 239 V C -1.599 174.444 176.094 -0.085 0.000 1.077 239 V CA -0.868 61.300 62.300 -0.220 0.000 0.910 239 V CB 1.937 33.316 31.823 -0.739 0.000 1.008 239 V HN 0.678 nan 8.190 nan 0.000 0.424 240 I N 5.719 126.190 120.570 -0.164 0.000 2.362 240 I HA 0.537 4.707 4.170 -0.001 0.000 0.289 240 I C 0.407 176.442 176.117 -0.137 0.000 0.994 240 I CA 0.017 61.266 61.300 -0.085 0.000 1.158 240 I CB 2.055 40.005 38.000 -0.082 0.000 1.315 240 I HN 0.792 nan 8.210 nan 0.000 0.451 241 T N 1.450 115.961 114.554 -0.071 0.000 2.771 241 T HA 0.723 5.073 4.350 -0.001 0.000 0.281 241 T C -0.124 174.554 174.700 -0.037 0.000 0.982 241 T CA -0.633 61.398 62.100 -0.115 0.000 0.978 241 T CB 1.019 69.757 68.868 -0.216 0.000 0.930 241 T HN 0.475 nan 8.240 nan 0.000 0.447 242 T N 2.446 116.973 114.554 -0.045 0.000 2.829 242 T HA 0.675 5.024 4.350 -0.001 0.000 0.280 242 T C -0.535 174.139 174.700 -0.045 0.000 0.999 242 T CA -0.807 61.269 62.100 -0.040 0.000 0.983 242 T CB 1.639 70.480 68.868 -0.045 0.000 0.968 242 T HN 0.701 nan 8.240 nan 0.000 0.446 243 S N 1.611 117.268 115.700 -0.071 0.000 2.619 243 S HA 0.661 5.131 4.470 -0.001 0.000 0.280 243 S C -0.902 173.565 174.600 -0.221 0.000 1.150 243 S CA -0.555 57.574 58.200 -0.119 0.000 0.978 243 S CB 0.972 64.121 63.200 -0.085 0.000 1.041 243 S HN 0.712 nan 8.310 nan 0.000 0.485 244 T N 5.429 119.735 114.554 -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 -0.681 0.000 0.989 244 T CB 1.140 69.183 68.868 -1.374 0.000 1.004 244 T HN 0.486 nan 8.240 nan 0.000 0.455 245 R N 1.012 121.370 120.500 -0.237 0.000 2.774 245 R HA 0.603 4.943 4.340 -0.001 0.000 0.272 245 R C -0.921 175.565 176.300 0.310 0.000 1.000 245 R CA -0.811 55.398 56.100 0.181 0.000 0.906 245 R CB 1.647 32.143 30.300 0.325 0.000 1.227 245 R HN 0.575 nan 8.270 nan 0.000 0.468 246 T N 2.711 117.494 114.554 0.382 0.000 2.837 246 T HA 0.543 4.893 4.350 -0.001 0.000 0.285 246 T C -0.294 174.475 174.700 0.114 0.000 0.984 246 T CA -0.560 61.636 62.100 0.160 0.000 1.049 246 T CB 0.638 69.562 68.868 0.094 0.000 0.947 246 T HN 0.462 nan 8.240 nan 0.000 0.472 247 W N 0.573 121.802 121.300 -0.118 0.000 2.864 247 W HA 0.820 5.480 4.660 -0.001 0.000 0.343 247 W C -1.441 174.903 176.519 -0.292 0.000 1.109 247 W CA -1.690 55.351 57.345 -0.506 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 2.951 125.770 122.820 -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 3.678 125.070 121.223 0.282 0.000 2.404 249 L HA 0.672 5.012 4.340 -0.001 0.000 0.272 249 L C -2.647 174.276 176.870 0.088 0.000 0.980 249 L CA -1.556 53.386 54.840 0.169 0.000 0.836 249 L CB 2.130 44.315 42.059 0.211 0.000 1.238 249 L HN 0.451 nan 8.230 nan 0.000 0.408 250 P HA 0.382 nan 4.420 nan 0.000 0.312 250 P C -1.034 176.103 177.300 -0.271 0.000 1.308 250 P CA -0.384 62.577 63.100 -0.232 0.000 0.743 250 P CB 0.576 31.971 31.700 -0.508 0.000 1.364 251 T N 0.131 114.494 114.554 -0.318 0.000 2.929 251 T HA 0.356 4.705 4.350 -0.001 0.000 0.331 251 T C -0.492 173.990 174.700 -0.363 0.000 1.120 251 T CA -0.041 61.863 62.100 -0.326 0.000 0.973 251 T CB -0.988 67.645 68.868 -0.391 0.000 1.036 251 T HN 0.108 nan 8.240 nan 0.000 0.502 252 Y N 2.147 122.347 120.300 -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 0.038 58.066 58.100 -0.120 0.000 1.391 252 Y CB 0.306 38.726 38.460 -0.068 0.000 1.293 252 Y HN 0.694 nan 8.280 nan 0.000 0.557 253 N N 1.727 120.485 118.700 0.096 0.000 2.690 253 N HA -0.411 4.328 4.740 -0.001 0.000 0.249 253 N C -0.193 175.309 175.510 -0.015 0.000 1.125 253 N CA 0.806 53.880 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 -0.062 118.568 118.700 -0.117 0.000 2.735 254 N HA -0.202 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 -1.730 36.753 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 -0.180 175.148 175.328 0.000 0.000 1.198 255 H CA 1.125 57.093 56.048 -0.133 0.000 1.140 255 H CB -1.205 28.341 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 -0.155 176.809 176.870 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 43.384 42.059 0.181 0.000 1.298 256 L HN 0.029 nan 8.230 nan 0.000 0.420 257 Y N 2.242 122.686 120.300 0.239 0.000 2.404 257 Y HA 0.291 4.841 4.550 -0.001 0.000 0.344 257 Y C -0.004 176.037 175.900 0.235 0.000 0.995 257 Y CA -0.213 58.060 58.100 0.289 0.000 1.201 257 Y CB 0.841 39.538 38.460 0.395 0.000 1.151 257 Y HN 0.297 nan 8.280 nan 0.000 0.517 258 K N 3.004 123.585 120.400 0.301 0.000 2.292 258 K HA 0.244 4.563 4.320 -0.001 0.000 0.257 258 K C -0.687 175.998 176.600 0.142 0.000 0.940 258 K CA -1.025 55.373 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 4.766 124.591 119.800 0.041 0.000 2.296 259 Q HA 0.246 4.586 4.340 -0.001 0.000 0.262 259 Q C -0.645 175.118 176.000 -0.394 0.000 0.981 259 Q CA -0.306 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 0.727 120.928 120.570 -0.615 0.000 2.740 260 I HA 0.821 4.991 4.170 -0.001 0.000 0.303 260 I C -0.652 175.063 176.117 -0.669 0.000 1.044 260 I CA -0.712 60.316 61.300 -0.452 0.000 1.064 260 I CB 2.331 40.174 38.000 -0.261 0.000 1.249 260 I HN 0.770 nan 8.210 nan 0.000 0.433 261 S N 2.161 117.534 115.700 -0.544 0.000 2.724 261 S HA 0.530 4.999 4.470 -0.001 0.000 0.278 261 S C -0.566 173.642 174.600 -0.653 0.000 1.190 261 S CA -0.333 57.440 58.200 -0.713 0.000 0.860 261 S CB 0.804 63.891 63.200 -0.189 0.000 1.206 261 S HN 1.051 nan 8.310 nan 0.000 0.507 262 S N 0.960 116.406 115.700 -0.423 0.000 2.601 262 S HA 0.473 4.943 4.470 -0.001 0.000 0.271 262 S C -0.084 174.551 174.600 0.059 0.000 1.305 262 S CA -0.580 57.624 58.200 0.005 0.000 1.022 262 S CB 0.554 63.903 63.200 0.249 0.000 0.940 262 S HN 0.752 nan 8.310 nan 0.000 0.525 263 Q N 1.582 121.429 119.800 0.078 0.000 2.286 263 Q HA 0.069 4.409 4.340 -0.001 0.000 0.290 263 Q C -0.314 175.724 176.000 0.063 0.000 1.049 263 Q CA 0.421 56.252 55.803 0.047 0.000 0.923 263 Q CB 0.453 29.208 28.738 0.028 0.000 1.183 263 Q HN 0.817 nan 8.270 nan 0.000 0.383 264 S N 3.095 118.825 115.700 0.050 0.000 2.945 264 S HA 0.129 4.599 4.470 -0.001 0.000 0.344 264 S C 0.834 175.470 174.600 0.060 0.000 1.066 264 S CA 0.666 58.900 58.200 0.057 0.000 1.721 264 S CB -0.933 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 1.854 110.718 108.800 0.105 0.000 2.248 265 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.263 265 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.263 265 G C 0.589 175.499 174.900 0.017 0.000 1.082 265 G CA 0.084 45.231 45.100 0.079 0.000 0.863 265 G HN 0.897 nan 8.290 nan 0.000 0.495 266 A N -1.205 121.604 122.820 -0.019 0.000 1.924 266 A HA 0.766 5.086 4.320 -0.001 0.000 0.211 266 A C 1.313 178.829 177.584 -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 1.502 nan 8.150 nan 0.000 0.454 267 S N -2.507 113.064 115.700 -0.215 0.000 2.547 267 S HA 0.346 4.816 4.470 -0.001 0.000 0.270 267 S C 0.196 174.511 174.600 -0.476 0.000 1.150 267 S CA -0.315 57.727 58.200 -0.263 0.000 0.850 267 S CB 1.306 64.368 63.200 -0.229 0.000 1.118 267 S HN 0.464 nan 8.310 nan 0.000 0.461 268 N N 0.816 119.370 118.700 -0.243 0.000 2.508 268 N HA 0.008 4.748 4.740 -0.001 0.000 0.186 268 N C -0.020 175.514 175.510 0.040 0.000 1.034 268 N CA 0.296 53.315 53.050 -0.052 0.000 0.885 268 N CB 0.063 38.605 38.487 0.092 0.000 1.135 268 N HN 0.525 nan 8.380 nan 0.000 0.435 269 D N 0.644 121.040 120.400 -0.008 0.000 2.363 269 D HA 0.012 4.652 4.640 -0.001 0.000 0.226 269 D C 0.007 176.309 176.300 0.003 0.000 1.020 269 D CA 0.620 54.647 54.000 0.045 0.000 0.892 269 D CB -0.251 40.591 40.800 0.070 0.000 0.900 269 D HN 0.463 nan 8.370 nan 0.000 0.531 270 N N -0.585 118.075 118.700 -0.066 0.000 2.200 270 N HA -0.003 4.736 4.740 -0.001 0.000 0.224 270 N C -0.021 175.524 175.510 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 4.583 4.556 -0.001 0.000 0.338 271 H C -0.469 175.042 175.328 0.306 0.000 1.047 271 H CA 0.650 56.818 56.048 0.201 0.000 1.435 271 H CB 0.176 30.003 29.762 0.108 0.000 1.428 271 H HN 0.290 nan 8.280 nan 0.000 0.590 272 Y N 1.387 121.811 120.300 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 1.515 40.023 38.460 0.080 0.000 1.308 272 Y HN 0.382 nan 8.280 nan 0.000 0.456 273 F N 1.148 121.028 119.950 -0.117 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 -0.151 0.000 1.116 273 F CA 0.002 57.845 58.000 -0.261 0.000 0.957 273 F CB 2.087 40.983 39.000 -0.172 0.000 1.250 273 F HN 1.076 nan 8.300 nan 0.000 0.444 274 G N 2.811 111.043 108.800 -0.946 0.000 2.500 274 G HA2 0.450 4.410 3.960 -0.001 0.000 0.299 274 G HA3 0.450 4.410 3.960 -0.001 0.000 0.299 274 G C -2.438 171.802 174.900 -1.100 0.000 1.242 274 G CA -0.599 44.082 45.100 -0.698 0.000 0.859 274 G HN 0.552 nan 8.290 nan 0.000 0.481 275 Y N -0.891 119.021 120.300 -0.647 0.000 2.581 275 Y HA 0.755 5.305 4.550 -0.001 0.000 0.345 275 Y C 0.143 175.831 175.900 -0.353 0.000 1.036 275 Y CA -0.767 57.074 58.100 -0.431 0.000 1.042 275 Y CB 2.658 41.009 38.460 -0.181 0.000 1.289 275 Y HN 0.557 nan 8.280 nan 0.000 0.471 276 S N 1.098 116.829 115.700 0.053 0.000 2.552 276 S HA 0.595 5.065 4.470 -0.001 0.000 0.314 276 S C -0.713 173.934 174.600 0.078 0.000 1.099 276 S CA -0.572 57.638 58.200 0.016 0.000 1.070 276 S CB 0.324 63.518 63.200 -0.009 0.000 0.998 276 S HN 0.701 nan 8.310 nan 0.000 0.474 277 T N 2.339 116.927 114.554 0.057 0.000 2.945 277 T HA 0.601 4.950 4.350 -0.001 0.000 0.286 277 T C -2.535 172.142 174.700 -0.037 0.000 1.025 277 T CA -2.097 59.954 62.100 -0.081 0.000 1.039 277 T CB 1.401 70.420 68.868 0.252 0.000 1.068 277 T HN 0.296 nan 8.240 nan 0.000 0.497 278 P HA 0.195 nan 4.420 nan 0.000 0.249 278 P C -0.862 176.430 177.300 -0.013 0.000 1.241 278 P CA -0.120 62.950 63.100 -0.049 0.000 0.781 278 P CB -0.178 31.447 31.700 -0.126 0.000 1.088 279 W N 0.423 121.731 121.300 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 -0.080 57.293 57.345 0.046 0.000 1.221 279 W CB 0.984 30.466 29.460 0.038 0.000 1.253 279 W HN -0.157 nan 8.180 nan 0.000 0.555 280 G N 1.124 110.053 108.800 0.214 0.000 2.557 280 G HA2 0.697 4.656 3.960 -0.001 0.000 0.302 280 G HA3 0.697 4.656 3.960 -0.001 0.000 0.302 280 G C -1.868 173.080 174.900 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 -3.085 117.080 120.300 -0.224 0.000 2.624 281 Y HA 0.684 5.233 4.550 -0.001 0.000 0.334 281 Y C -1.831 173.890 175.900 -0.299 0.000 1.155 281 Y CA -2.087 55.864 58.100 -0.247 0.000 1.046 281 Y CB 0.951 39.282 38.460 -0.215 0.000 1.316 281 Y HN 0.389 nan 8.280 nan 0.000 0.457 282 F N 1.956 121.898 119.950 -0.014 0.000 2.404 282 F HA 0.501 5.028 4.527 -0.001 0.000 0.339 282 F C -0.168 175.673 175.800 0.067 0.000 1.105 282 F CA 0.001 58.029 58.000 0.047 0.000 1.087 282 F CB 1.439 40.538 39.000 0.165 0.000 1.143 282 F HN 0.586 nan 8.300 nan 0.000 0.491 283 D N 2.690 123.219 120.400 0.215 0.000 2.780 283 D HA 0.429 5.069 4.640 -0.001 0.000 0.242 283 D C -0.872 175.495 176.300 0.111 0.000 1.135 283 D CA -0.500 53.517 54.000 0.029 0.000 0.859 283 D CB 1.154 41.977 40.800 0.038 0.000 1.530 283 D HN 0.293 nan 8.370 nan 0.000 0.493 284 F N 1.058 121.103 119.950 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 -0.824 57.255 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 0.273 nan 8.300 nan 0.000 0.512 285 N N 1.312 119.854 118.700 -0.264 0.000 2.375 285 N HA 0.181 4.920 4.740 -0.001 0.000 0.220 285 N C -0.196 175.108 175.510 -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 -0.976 0.000 1.069 285 N HN 0.349 nan 8.380 nan 0.000 0.479 286 R N -0.538 119.861 120.500 -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 30.972 30.300 -0.476 0.000 1.160 286 R HN 0.121 nan 8.270 nan 0.000 0.457 287 F N 0.910 120.877 119.950 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 1.623 59.754 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 -2.949 116.241 119.070 0.200 0.000 2.563 288 H HA -0.011 4.545 4.556 -0.001 0.000 0.272 288 H C 1.681 177.051 175.328 0.071 0.000 1.005 288 H CA 0.407 56.519 56.048 0.107 0.000 1.171 288 H CB -1.451 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 0.541 119.791 119.300 -0.083 0.000 2.448 289 C HA -0.002 4.457 4.460 -0.001 0.000 0.280 289 C C 1.733 176.481 174.990 -0.404 0.000 1.398 289 C CA 0.850 59.705 59.018 -0.272 0.000 1.774 289 C CB -0.632 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 -2.927 116.241 119.070 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 0.152 56.210 56.048 0.017 0.000 1.116 290 H CB -0.111 29.682 29.762 0.050 0.000 1.439 290 H HN 0.312 nan 8.280 nan 0.000 0.445 291 F N 3.497 123.601 119.950 0.257 0.000 2.411 291 F HA 0.210 4.736 4.527 -0.001 0.000 0.355 291 F C 1.105 176.992 175.800 0.144 0.000 1.117 291 F CA -0.805 57.309 58.000 0.190 0.000 1.139 291 F CB 1.084 40.264 39.000 0.300 0.000 1.120 291 F HN -0.019 nan 8.300 nan 0.000 0.493 292 S N 3.939 119.794 115.700 0.258 0.000 2.584 292 S HA 0.219 4.688 4.470 -0.001 0.000 0.270 292 S C -1.861 172.844 174.600 0.175 0.000 1.346 292 S CA -1.013 57.298 58.200 0.184 0.000 1.018 292 S CB 1.217 64.505 63.200 0.147 0.000 0.899 292 S HN 0.360 nan 8.310 nan 0.000 0.542 293 P HA -0.143 nan 4.420 nan 0.000 0.215 293 P C 1.736 179.022 177.300 -0.023 0.000 1.157 293 P CA 1.216 64.217 63.100 -0.165 0.000 0.874 293 P CB -0.058 31.406 31.700 -0.394 0.000 0.790 294 R N 0.400 120.930 120.500 0.051 0.000 2.103 294 R HA -0.164 4.176 4.340 -0.001 0.000 0.242 294 R C 1.774 178.151 176.300 0.127 0.000 1.142 294 R CA 2.001 58.149 56.100 0.080 0.000 0.960 294 R CB -1.657 28.703 30.300 0.101 0.000 0.858 294 R HN 0.120 nan 8.270 nan 0.000 0.439 295 D N -0.614 119.935 120.400 0.248 0.000 2.097 295 D HA -0.221 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 2.041 123.372 121.300 0.051 0.000 2.325 296 W HA -0.241 4.419 4.660 -0.001 0.000 0.299 296 W C 2.154 178.521 176.519 -0.254 0.000 1.215 296 W CA 1.447 58.662 57.345 -0.217 0.000 1.244 296 W CB -0.094 29.194 29.460 -0.286 0.000 1.140 296 W HN 0.114 nan 8.180 nan 0.000 0.523 297 Q N 0.321 120.071 119.800 -0.083 0.000 2.084 297 Q HA -0.216 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 1.824 57.514 55.803 -0.188 0.000 0.844 297 Q CB -0.198 28.498 28.738 -0.070 0.000 0.898 297 Q HN 0.266 nan 8.270 nan 0.000 0.426 298 R N 0.161 120.545 120.500 -0.193 0.000 2.081 298 R HA -0.125 4.214 4.340 -0.001 0.000 0.235 298 R C 2.479 178.563 176.300 -0.361 0.000 1.131 298 R CA 1.345 57.225 56.100 -0.366 0.000 0.960 298 R CB -0.483 29.413 30.300 -0.673 0.000 0.856 298 R HN 0.330 nan 8.270 nan 0.000 0.436 299 L N 0.788 121.886 121.223 -0.207 0.000 1.976 299 L HA -0.191 4.149 4.340 -0.001 0.000 0.209 299 L C 2.148 178.802 176.870 -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 0.625 120.863 120.570 -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 0.934 119.505 118.700 -0.216 0.000 2.398 301 N HA -0.025 4.715 4.740 -0.001 0.000 0.188 301 N C 0.871 176.347 175.510 -0.057 0.000 1.122 301 N CA 0.351 53.338 53.050 -0.104 0.000 0.866 301 N CB -0.025 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 -0.234 118.421 118.700 -0.075 0.000 2.113 302 N HA 0.094 4.834 4.740 -0.001 0.000 0.223 302 N C -0.798 174.685 175.510 -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 -0.220 118.512 118.700 0.053 0.000 2.346 303 N HA 0.146 4.886 4.740 -0.001 0.000 0.289 303 N C 0.277 175.998 175.510 0.352 0.000 1.027 303 N CA -0.434 52.692 53.050 0.128 0.000 0.864 303 N CB 1.681 40.250 38.487 0.138 0.000 1.370 303 N HN 0.119 nan 8.380 nan 0.000 0.481 304 W N 1.998 123.285 121.300 -0.021 0.000 2.341 304 W HA -0.131 4.529 4.660 -0.001 0.000 0.283 304 W C 1.092 177.645 176.519 0.055 0.000 1.215 304 W CA 0.231 57.550 57.345 -0.044 0.000 1.211 304 W CB 0.396 29.742 29.460 -0.190 0.000 1.131 304 W HN 0.616 nan 8.180 nan 0.000 0.552 305 G N -1.612 107.378 108.800 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 -1.781 173.473 174.900 0.590 0.000 1.330 305 G CA -0.571 44.744 45.100 0.359 0.000 0.813 305 G HN 0.129 nan 8.290 nan 0.000 0.487 306 F N -1.407 118.964 119.950 0.702 0.000 2.807 306 F HA 0.930 5.457 4.527 -0.001 0.000 0.316 306 F C -0.888 175.311 175.800 0.666 0.000 1.162 306 F CA -1.135 57.313 58.000 0.746 0.000 0.910 306 F CB 1.435 40.677 39.000 0.403 0.000 1.314 306 F HN 0.997 nan 8.300 nan 0.000 0.454 307 R N -0.031 120.793 120.500 0.540 0.000 2.728 307 R HA 0.725 5.065 4.340 -0.001 0.000 0.274 307 R C -3.641 172.628 176.300 -0.052 0.000 1.032 307 R CA -1.854 54.206 56.100 -0.066 0.000 0.866 307 R CB 1.744 31.722 30.300 -0.537 0.000 1.263 307 R HN 0.396 nan 8.270 nan 0.000 0.475 308 P HA 0.356 nan 4.420 nan 0.000 0.279 308 P C -0.766 176.025 177.300 -0.847 0.000 1.252 308 P CA -0.596 61.769 63.100 -1.224 0.000 0.811 308 P CB 1.221 31.592 31.700 -2.214 0.000 1.035 309 K N 0.533 120.533 120.400 -0.667 0.000 2.524 309 K HA 0.289 4.608 4.320 -0.001 0.000 0.210 309 K C 0.380 176.966 176.600 -0.022 0.000 1.340 309 K CA 0.806 56.939 56.287 -0.257 0.000 0.880 309 K CB 0.286 32.670 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 0.566 4.886 4.320 -0.001 0.000 0.244 310 K C -1.342 175.290 176.600 0.053 0.000 1.039 310 K CA -0.954 55.323 56.287 -0.017 0.000 0.863 310 K CB 1.984 34.417 32.500 -0.110 0.000 1.326 310 K HN -0.072 nan 8.250 nan 0.000 0.460 311 L N -0.284 120.942 121.223 0.005 0.000 2.565 311 L HA 0.394 4.734 4.340 -0.001 0.000 0.261 311 L C -1.851 174.986 176.870 -0.056 0.000 0.932 311 L CA 0.028 54.883 54.840 0.025 0.000 0.878 311 L CB 2.420 44.562 42.059 0.138 0.000 1.333 311 L HN 0.513 nan 8.230 nan 0.000 0.409 312 S N 4.507 120.183 115.700 -0.041 0.000 2.605 312 S HA 0.653 5.123 4.470 -0.001 0.000 0.308 312 S C -1.242 173.396 174.600 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 64.151 63.200 -0.097 0.000 1.001 312 S HN 0.496 nan 8.310 nan 0.000 0.480 313 F N 3.414 123.373 119.950 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 40.172 39.000 0.314 0.000 1.137 313 F HN 0.416 nan 8.300 nan 0.000 0.463 314 K N 7.285 127.312 120.400 -0.622 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 -0.223 0.000 0.798 314 K CB 1.577 34.043 32.500 -0.057 0.000 1.267 314 K HN 0.773 nan 8.250 nan 0.000 0.434 315 L N 5.868 127.159 121.223 0.113 0.000 2.346 315 L HA 0.699 5.038 4.340 -0.001 0.000 0.276 315 L C -0.742 176.383 176.870 0.426 0.000 1.006 315 L CA -0.874 54.053 54.840 0.146 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 -0.638 119.416 119.950 0.173 0.000 2.877 316 F HA 0.366 4.893 4.527 -0.001 0.000 0.319 316 F C -0.167 175.702 175.800 0.116 0.000 1.174 316 F CA -1.470 56.608 58.000 0.129 0.000 0.903 316 F CB 1.076 40.118 39.000 0.070 0.000 1.357 316 F HN 0.484 nan 8.300 nan 0.000 0.472 317 N N 0.582 119.436 118.700 0.257 0.000 2.705 317 N HA -0.200 4.539 4.740 -0.001 0.000 0.255 317 N C -1.107 174.387 175.510 -0.027 0.000 1.008 317 N CA 0.519 53.631 53.050 0.103 0.000 0.742 317 N CB -1.068 37.484 38.487 0.109 0.000 0.906 317 N HN 0.488 nan 8.380 nan 0.000 0.541 318 I N 0.902 121.490 120.570 0.029 0.000 2.474 318 I HA 0.096 4.265 4.170 -0.001 0.000 0.287 318 I C 0.489 176.572 176.117 -0.057 0.000 1.048 318 I CA 0.113 61.410 61.300 -0.005 0.000 1.383 318 I CB 0.900 38.976 38.000 0.126 0.000 1.412 318 I HN 0.137 nan 8.210 nan 0.000 0.531 319 Q N 5.430 125.147 119.800 -0.139 0.000 2.285 319 Q HA 0.510 4.849 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 3.139 31.771 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 0.355 4.474 4.120 -0.001 0.000 0.280 320 V C -0.323 175.623 176.094 -0.245 0.000 1.021 320 V CA -0.633 61.552 62.300 -0.191 0.000 0.847 320 V CB 1.162 32.928 31.823 -0.095 0.000 0.990 320 V HN 0.545 nan 8.190 nan 0.000 0.444 321 K N 4.199 124.333 120.400 -0.444 0.000 2.244 321 K HA 0.563 4.883 4.320 -0.001 0.000 0.260 321 K C -0.350 176.115 176.600 -0.224 0.000 0.951 321 K CA -0.605 55.445 56.287 -0.396 0.000 0.826 321 K CB 2.525 34.641 32.500 -0.640 0.000 1.108 321 K HN 0.893 nan 8.250 nan 0.000 0.433 322 E N 0.282 120.449 120.200 -0.055 0.000 2.183 322 E HA 0.495 4.845 4.350 -0.001 0.000 0.271 322 E C -0.861 175.787 176.600 0.079 0.000 0.919 322 E CA -1.010 55.411 56.400 0.036 0.000 0.781 322 E CB 1.980 31.698 29.700 0.029 0.000 1.140 322 E HN 0.134 nan 8.360 nan 0.000 0.402 323 V N 2.326 122.307 119.914 0.111 0.000 2.815 323 V HA 0.803 4.923 4.120 -0.001 0.000 0.314 323 V C -1.041 175.089 176.094 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 33.996 31.823 0.100 0.000 1.020 323 V HN 1.022 nan 8.190 nan 0.000 0.439 324 T N 2.808 117.388 114.554 0.043 0.000 2.928 324 T HA 0.578 4.928 4.350 -0.001 0.000 0.296 324 T C -0.924 173.789 174.700 0.022 0.000 1.000 324 T CA -0.671 61.449 62.100 0.033 0.000 0.989 324 T CB 1.573 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 2.953 122.763 119.800 0.017 0.000 2.503 325 Q HA 0.394 4.734 4.340 -0.001 0.000 0.227 325 Q C 0.861 176.867 176.000 0.010 0.000 1.109 325 Q CA -0.483 55.325 55.803 0.010 0.000 0.922 325 Q CB 0.535 29.276 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 0.097 175.611 175.510 0.005 0.000 1.038 326 N CA 1.244 54.299 53.050 0.009 0.000 0.846 326 N CB 0.416 38.909 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 1.040 177.340 176.300 -0.000 0.000 1.454 327 D CA 0.493 54.494 54.000 0.002 0.000 1.400 327 D CB -0.478 40.323 40.800 0.001 0.000 0.975 327 D HN 0.226 nan 8.370 nan 0.000 0.212 328 G N -0.193 108.607 108.800 -0.001 0.000 3.839 328 G HA2 0.262 4.222 3.960 -0.001 0.000 0.286 328 G HA3 0.262 4.222 3.960 -0.001 0.000 0.286 328 G C -0.216 174.681 174.900 -0.004 0.000 1.005 328 G CA 0.109 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 0.690 115.243 114.554 -0.002 0.000 2.881 329 T HA 0.525 4.875 4.350 -0.001 0.000 0.290 329 T C -0.326 174.374 174.700 -0.000 0.000 1.000 329 T CA -0.270 61.829 62.100 -0.002 0.000 0.978 329 T CB 1.360 70.227 68.868 -0.001 0.000 0.997 329 T HN 0.111 nan 8.240 nan 0.000 0.443 330 T N 2.223 116.776 114.554 -0.002 0.000 2.738 330 T HA 0.533 4.883 4.350 -0.001 0.000 0.298 330 T C 0.414 175.119 174.700 0.008 0.000 0.962 330 T CA -0.800 61.301 62.100 0.001 0.000 0.972 330 T CB 0.264 69.127 68.868 -0.007 0.000 0.928 330 T HN 0.714 nan 8.240 nan 0.000 0.474 331 T N 2.001 116.564 114.554 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 0.500 69.378 68.868 0.016 0.000 0.947 331 T HN 0.645 nan 8.240 nan 0.000 0.472 332 I N 2.168 122.762 120.570 0.041 0.000 2.406 332 I HA 0.669 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 39.619 38.000 0.109 0.000 1.289 332 I HN 0.914 nan 8.210 nan 0.000 0.441 333 A N 5.328 128.164 122.820 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 20.346 19.000 0.007 0.000 1.323 333 A HN 0.636 nan 8.150 nan 0.000 0.415 334 N N 1.979 120.662 118.700 -0.028 0.000 2.497 334 N HA 0.126 4.865 4.740 -0.001 0.000 0.271 334 N C -0.979 174.511 175.510 -0.034 0.000 1.142 334 N CA 0.174 53.198 53.050 -0.044 0.000 0.965 334 N CB 0.758 39.223 38.487 -0.036 0.000 1.077 334 N HN 0.590 nan 8.380 nan 0.000 0.462 335 N N 3.418 122.091 118.700 -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 -0.029 0.000 0.920 335 N CB 0.329 38.801 38.487 -0.025 0.000 1.148 335 N HN 0.453 nan 8.380 nan 0.000 0.509 336 L N 0.988 122.201 121.223 -0.017 0.000 2.156 336 L HA -0.066 4.273 4.340 -0.001 0.000 0.208 336 L C 1.986 178.853 176.870 -0.004 0.000 1.095 336 L CA 1.281 56.114 54.840 -0.012 0.000 0.770 336 L CB -0.454 41.601 42.059 -0.007 0.000 0.914 336 L HN 0.529 nan 8.230 nan 0.000 0.439 337 T N -4.375 110.178 114.554 -0.001 0.000 3.148 337 T HA 0.011 4.361 4.350 -0.001 0.000 0.253 337 T C 0.966 175.668 174.700 0.003 0.000 1.134 337 T CA -0.059 62.043 62.100 0.004 0.000 1.051 337 T CB 0.038 68.909 68.868 0.005 0.000 0.959 337 T HN 0.094 nan 8.240 nan 0.000 0.525 338 S N 1.949 117.647 115.700 -0.003 0.000 2.601 338 S HA 0.521 4.991 4.470 -0.001 0.000 0.271 338 S C 0.416 175.017 174.600 0.001 0.000 1.305 338 S CA -0.421 57.776 58.200 -0.006 0.000 1.022 338 S CB 0.703 63.894 63.200 -0.016 0.000 0.940 338 S HN 0.744 nan 8.310 nan 0.000 0.525 339 T N 0.230 114.784 114.554 0.000 0.000 2.905 339 T HA 0.794 5.144 4.350 -0.001 0.000 0.283 339 T C -0.569 174.138 174.700 0.011 0.000 1.031 339 T CA -0.786 61.323 62.100 0.015 0.000 1.002 339 T CB 1.327 70.207 68.868 0.019 0.000 1.200 339 T HN 0.608 nan 8.240 nan 0.000 0.560 340 V N 0.150 120.084 119.914 0.033 0.000 3.087 340 V HA 0.523 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 -0.789 61.525 62.300 0.024 0.000 0.999 340 V CB 2.403 34.273 31.823 0.077 0.000 1.049 340 V HN 1.067 nan 8.190 nan 0.000 0.431 341 Q N 3.482 123.285 119.800 0.005 0.000 2.331 341 Q HA 0.764 5.104 4.340 -0.001 0.000 0.267 341 Q C -1.455 174.667 176.000 0.203 0.000 1.006 341 Q CA -0.637 55.233 55.803 0.112 0.000 0.818 341 Q CB 2.562 31.384 28.738 0.140 0.000 1.276 341 Q HN 0.552 nan 8.270 nan 0.000 0.450 342 V N 3.362 123.373 119.914 0.162 0.000 2.823 342 V HA 0.745 4.865 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 61.449 62.300 -0.035 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 0.805 5.332 4.527 -0.001 0.000 0.317 343 F C -0.901 174.704 175.800 -0.325 0.000 1.168 343 F CA -0.686 57.189 58.000 -0.209 0.000 0.911 343 F CB 1.981 40.898 39.000 -0.139 0.000 1.337 343 F HN 0.470 nan 8.300 nan 0.000 0.464 344 T N 0.679 115.091 114.554 -0.237 0.000 2.841 344 T HA 0.286 4.635 4.350 -0.001 0.000 0.285 344 T C -1.532 172.995 174.700 -0.289 0.000 0.991 344 T CA -0.409 61.391 62.100 -0.499 0.000 0.966 344 T CB 0.909 69.372 68.868 -0.676 0.000 0.962 344 T HN 0.835 nan 8.240 nan 0.000 0.438 345 D N 3.380 123.520 120.400 -0.433 0.000 2.498 345 D HA 0.249 4.889 4.640 -0.001 0.000 0.229 345 D C 0.858 176.915 176.300 -0.404 0.000 1.188 345 D CA 0.110 53.925 54.000 -0.308 0.000 1.028 345 D CB 0.061 40.645 40.800 -0.360 0.000 1.087 345 D HN 0.428 nan 8.370 nan 0.000 0.510 346 S N 2.013 117.531 115.700 -0.302 0.000 2.501 346 S HA 0.008 4.477 4.470 -0.001 0.000 0.220 346 S C 1.249 175.563 174.600 -0.477 0.000 0.997 346 S CA 0.067 58.037 58.200 -0.382 0.000 0.919 346 S CB 0.231 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 0.291 120.327 120.200 -0.274 0.000 2.474 347 E HA 0.129 4.479 4.350 -0.001 0.000 0.195 347 E C -0.887 175.736 176.600 0.039 0.000 1.039 347 E CA -0.320 56.033 56.400 -0.078 0.000 0.881 347 E CB 0.057 29.765 29.700 0.013 0.000 0.970 347 E HN 0.538 nan 8.360 nan 0.000 0.486 348 Y N 0.518 120.834 120.300 0.028 0.000 3.078 348 Y HA -0.296 4.253 4.550 -0.001 0.000 0.202 348 Y C 1.050 176.936 175.900 -0.024 0.000 1.322 348 Y CA 0.318 58.412 58.100 -0.010 0.000 1.118 348 Y CB -2.416 36.031 38.460 -0.022 0.000 1.343 348 Y HN 0.206 nan 8.280 nan 0.000 0.499 349 Q N -0.108 119.736 119.800 0.074 0.000 2.396 349 Q HA 0.260 4.600 4.340 -0.001 0.000 0.209 349 Q C 0.374 176.293 176.000 -0.135 0.000 0.906 349 Q CA 0.183 56.017 55.803 0.051 0.000 0.927 349 Q CB 0.593 29.434 28.738 0.171 0.000 1.069 349 Q HN 0.551 nan 8.270 nan 0.000 0.523 350 L N 1.867 122.975 121.223 -0.193 0.000 2.325 350 L HA 0.383 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 -0.418 0.000 0.804 350 L CB 0.968 42.757 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 -0.018 31.634 31.700 -0.080 0.000 0.776 352 Y N 4.151 124.446 120.300 -0.008 0.000 2.584 352 Y HA 0.118 4.668 4.550 -0.001 0.000 0.351 352 Y C 1.211 177.120 175.900 0.015 0.000 1.030 352 Y CA 0.287 58.394 58.100 0.011 0.000 1.332 352 Y CB 0.365 38.849 38.460 0.041 0.000 1.148 352 Y HN 0.150 nan 8.280 nan 0.000 0.528 353 V N 7.062 126.805 119.914 -0.285 0.000 3.647 353 V HA 0.128 4.248 4.120 -0.001 0.000 0.279 353 V C 0.524 176.433 176.094 -0.309 0.000 1.314 353 V CA 0.305 62.456 62.300 -0.249 0.000 1.125 353 V CB -0.610 31.019 31.823 -0.324 0.000 0.907 353 V HN 0.590 nan 8.190 nan 0.000 0.434 354 L N -0.246 120.624 121.223 -0.588 0.000 2.488 354 L HA 0.570 4.909 4.340 -0.001 0.000 0.249 354 L C 1.570 178.345 176.870 -0.158 0.000 1.151 354 L CA 0.297 54.887 54.840 -0.417 0.000 0.806 354 L CB -0.075 41.613 42.059 -0.617 0.000 1.261 354 L HN 0.282 nan 8.230 nan 0.000 0.484 355 G N 0.156 108.875 108.800 -0.135 0.000 2.225 355 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.267 355 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.267 355 G C 0.458 175.356 174.900 -0.003 0.000 1.024 355 G CA 0.523 45.582 45.100 -0.070 0.000 0.784 355 G HN 0.528 nan 8.290 nan 0.000 0.507 356 S N -0.498 115.200 115.700 -0.003 0.000 2.754 356 S HA 0.578 5.048 4.470 -0.001 0.000 0.247 356 S C 1.481 175.936 174.600 -0.242 0.000 1.031 356 S CA 0.982 59.133 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 1.599 124.351 122.820 -0.114 0.000 2.816 357 A HA -0.220 4.100 4.320 -0.001 0.000 0.270 357 A C 0.420 177.949 177.584 -0.092 0.000 1.413 357 A CA 0.898 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 1.010 176.361 175.328 0.038 0.000 1.409 358 H CA 0.930 56.992 56.048 0.023 0.000 1.463 358 H CB 0.290 30.076 29.762 0.040 0.000 1.514 358 H HN 0.744 nan 8.280 nan 0.000 0.619 359 Q N -1.193 118.725 119.800 0.196 0.000 2.180 359 Q HA 0.404 4.743 4.340 -0.001 0.000 0.241 359 Q C 0.541 176.599 176.000 0.096 0.000 0.970 359 Q CA -0.233 55.646 55.803 0.126 0.000 0.919 359 Q CB 1.629 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 -0.421 108.426 108.800 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 0.248 119.537 119.300 -0.019 0.000 2.641 361 C HA 0.612 5.072 4.460 -0.001 0.000 0.318 361 C C 1.597 176.409 174.990 -0.298 0.000 1.490 361 C CA -0.650 58.314 59.018 -0.090 0.000 2.260 361 C CB -0.018 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 2.384 123.426 121.223 -0.302 0.000 2.410 362 L HA 0.216 4.555 4.340 -0.001 0.000 0.273 362 L C -2.077 174.725 176.870 -0.114 0.000 1.152 362 L CA -1.109 53.471 54.840 -0.435 0.000 0.855 362 L CB -0.095 41.824 42.059 -0.233 0.000 1.129 362 L HN 0.386 nan 8.230 nan 0.000 0.463 363 P HA 0.023 nan 4.420 nan 0.000 0.262 363 P C -2.001 175.382 177.300 0.138 0.000 1.182 363 P CA -0.856 62.308 63.100 0.105 0.000 0.761 363 P CB 0.182 31.980 31.700 0.162 0.000 0.795 364 P HA -0.151 nan 4.420 nan 0.000 0.216 364 P C 0.212 177.514 177.300 0.004 0.000 1.150 364 P CA 1.248 64.410 63.100 0.104 0.000 0.843 364 P CB -0.021 31.622 31.700 -0.096 0.000 0.787 365 F N -0.205 119.586 119.950 -0.264 0.000 2.411 365 F HA 0.287 4.813 4.527 -0.001 0.000 0.350 365 F C -1.699 174.055 175.800 -0.077 0.000 1.114 365 F CA -3.001 54.773 58.000 -0.376 0.000 1.135 365 F CB 1.054 39.746 39.000 -0.512 0.000 1.120 365 F HN -0.111 nan 8.300 nan 0.000 0.495 366 P HA -0.148 nan 4.420 nan 0.000 0.218 366 P C 0.998 178.272 177.300 -0.045 0.000 1.148 366 P CA 1.748 64.757 63.100 -0.151 0.000 0.822 366 P CB 0.092 31.705 31.700 -0.145 0.000 0.784 367 A N -1.033 121.615 122.820 -0.287 0.000 2.119 367 A HA -0.054 4.266 4.320 -0.001 0.000 0.217 367 A C 0.656 178.349 177.584 0.182 0.000 1.153 367 A CA 0.724 52.759 52.037 -0.003 0.000 0.692 367 A CB -0.938 18.118 19.000 0.093 0.000 0.799 367 A HN 0.095 nan 8.150 nan 0.000 0.458 368 D N 0.162 120.715 120.400 0.255 0.000 2.348 368 D HA 0.378 5.018 4.640 -0.001 0.000 0.253 368 D C -0.191 176.272 176.300 0.272 0.000 1.161 368 D CA 0.141 54.299 54.000 0.263 0.000 0.876 368 D CB 1.386 42.353 40.800 0.280 0.000 1.160 368 D HN -0.020 nan 8.370 nan 0.000 0.459 369 V N 3.272 123.327 119.914 0.235 0.000 2.686 369 V HA 0.422 4.542 4.120 -0.001 0.000 0.295 369 V C 0.092 176.371 176.094 0.309 0.000 1.057 369 V CA -0.484 61.963 62.300 0.245 0.000 1.012 369 V CB 0.505 32.398 31.823 0.117 0.000 1.006 369 V HN 0.422 nan 8.190 nan 0.000 0.477 370 F N 2.532 122.572 119.950 0.149 0.000 2.593 370 F HA 0.777 5.304 4.527 -0.001 0.000 0.320 370 F C -0.456 175.424 175.800 0.134 0.000 1.060 370 F CA -1.349 56.732 58.000 0.134 0.000 0.940 370 F CB 1.940 41.026 39.000 0.143 0.000 1.268 370 F HN 0.446 nan 8.300 nan 0.000 0.475 371 M N 3.278 122.917 119.600 0.065 0.000 2.264 371 M HA 0.525 5.005 4.480 -0.001 0.000 0.352 371 M C -1.338 174.960 176.300 -0.004 0.000 1.173 371 M CA -0.850 54.426 55.300 -0.040 0.000 1.075 371 M CB 1.538 34.164 32.600 0.043 0.000 1.621 371 M HN 0.611 nan 8.290 nan 0.000 0.457 372 V N 7.362 127.199 119.914 -0.128 0.000 2.508 372 V HA 0.248 4.368 4.120 -0.001 0.000 0.281 372 V C -2.056 173.962 176.094 -0.127 0.000 1.041 372 V CA -1.266 60.925 62.300 -0.181 0.000 1.016 372 V CB 0.452 32.028 31.823 -0.411 0.000 0.984 372 V HN 0.758 nan 8.190 nan 0.000 0.478 373 P HA 0.100 nan 4.420 nan 0.000 0.269 373 P C -0.574 176.426 177.300 -0.500 0.000 1.215 373 P CA -0.144 62.707 63.100 -0.415 0.000 0.780 373 P CB 0.470 31.735 31.700 -0.726 0.000 0.898 374 Q N 1.280 120.760 119.800 -0.533 0.000 2.230 374 Q HA 0.238 4.578 4.340 -0.001 0.000 0.248 374 Q C -1.312 174.699 176.000 0.020 0.000 0.915 374 Q CA -0.703 54.709 55.803 -0.651 0.000 0.900 374 Q CB 0.494 28.481 28.738 -1.252 0.000 1.229 374 Q HN 0.376 nan 8.270 nan 0.000 0.439 375 Y N 1.470 121.770 120.300 -0.000 0.000 2.327 375 Y HA 0.581 5.130 4.550 -0.001 0.000 0.336 375 Y C -0.296 175.605 175.900 0.003 0.000 1.035 375 Y CA 0.140 58.258 58.100 0.030 0.000 1.165 375 Y CB 1.222 39.708 38.460 0.044 0.000 1.181 375 Y HN 0.639 nan 8.280 nan 0.000 0.494 376 G N 5.072 113.508 108.800 -0.606 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 -2.294 172.301 174.900 -0.509 0.000 1.398 376 G CA -0.823 43.993 45.100 -0.472 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 0.823 5.372 4.550 -0.001 0.000 0.341 377 Y C -1.176 174.736 175.900 0.020 0.000 1.089 377 Y CA -1.693 56.296 58.100 -0.185 0.000 1.049 377 Y CB 1.538 39.918 38.460 -0.134 0.000 1.296 377 Y HN 0.467 nan 8.280 nan 0.000 0.470 378 L N 2.003 123.360 121.223 0.223 0.000 2.334 378 L HA 0.733 5.072 4.340 -0.001 0.000 0.273 378 L C -0.222 176.858 176.870 0.350 0.000 1.013 378 L CA -0.608 54.360 54.840 0.214 0.000 0.816 378 L CB 2.408 44.588 42.059 0.202 0.000 1.278 378 L HN 0.965 nan 8.230 nan 0.000 0.431 379 T N 0.344 115.102 114.554 0.339 0.000 2.688 379 T HA 0.452 4.801 4.350 -0.001 0.000 0.249 379 T C -0.892 173.988 174.700 0.299 0.000 0.944 379 T CA -0.681 61.648 62.100 0.383 0.000 1.058 379 T CB 0.882 70.032 68.868 0.469 0.000 1.673 379 T HN 0.118 nan 8.240 nan 0.000 0.565 380 L N 2.978 124.360 121.223 0.265 0.000 2.350 380 L HA 0.578 4.918 4.340 -0.001 0.000 0.275 380 L C -0.577 176.382 176.870 0.149 0.000 1.099 380 L CA -0.366 54.585 54.840 0.185 0.000 0.808 380 L CB 0.127 42.272 42.059 0.143 0.000 1.149 380 L HN 0.910 nan 8.230 nan 0.000 0.442 381 N N 1.287 120.053 118.700 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 39.504 38.487 0.122 0.000 1.619 381 N HN 0.363 nan 8.380 nan 0.000 0.476 382 N N 1.100 119.761 118.700 -0.064 0.000 2.816 382 N HA 0.435 5.175 4.740 -0.001 0.000 0.236 382 N C 0.637 176.067 175.510 -0.133 0.000 1.076 382 N CA 0.987 53.996 53.050 -0.069 0.000 0.902 382 N CB 0.048 38.489 38.487 -0.076 0.000 1.149 382 N HN 1.029 nan 8.380 nan 0.000 0.506 383 G N 2.342 111.057 108.800 -0.142 0.000 2.523 383 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.271 383 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.271 383 G C 0.791 175.483 174.900 -0.347 0.000 1.146 383 G CA 0.521 45.367 45.100 -0.423 0.000 0.961 383 G HN 0.777 nan 8.290 nan 0.000 0.549 384 S N 0.259 115.713 115.700 -0.409 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 1.302 59.443 58.200 -0.099 0.000 0.914 384 S CB 0.234 63.428 63.200 -0.010 0.000 0.776 384 S HN 0.757 nan 8.310 nan 0.000 0.526 385 Q N 0.583 120.256 119.800 -0.212 0.000 2.237 385 Q HA 0.718 5.058 4.340 -0.001 0.000 0.219 385 Q C -0.320 175.390 176.000 -0.483 0.000 0.999 385 Q CA -0.412 55.203 55.803 -0.313 0.000 0.959 385 Q CB 1.170 29.771 28.738 -0.228 0.000 1.173 385 Q HN 0.490 nan 8.270 nan 0.000 0.527 386 A N 0.361 122.773 122.820 -0.680 0.000 2.346 386 A HA 0.703 5.023 4.320 -0.001 0.000 0.313 386 A C -0.691 176.706 177.584 -0.312 0.000 1.140 386 A CA -0.605 51.022 52.037 -0.684 0.000 0.826 386 A CB 1.001 19.253 19.000 -1.247 0.000 1.332 386 A HN 0.465 nan 8.150 nan 0.000 0.457 387 V N -0.466 119.345 119.914 -0.173 0.000 3.406 387 V HA 0.531 4.650 4.120 -0.001 0.000 0.305 387 V C 1.769 177.832 176.094 -0.052 0.000 1.136 387 V CA 0.314 62.565 62.300 -0.083 0.000 1.011 387 V CB 1.254 33.061 31.823 -0.026 0.000 1.221 387 V HN 1.132 nan 8.190 nan 0.000 0.454 388 G N -0.430 108.356 108.800 -0.023 0.000 2.464 388 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.217 388 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.217 388 G C 1.155 176.067 174.900 0.020 0.000 1.138 388 G CA -0.019 45.077 45.100 -0.006 0.000 0.793 388 G HN 0.576 nan 8.290 nan 0.000 0.539 389 R N 0.902 121.421 120.500 0.031 0.000 2.363 389 R HA 0.214 4.554 4.340 -0.001 0.000 0.236 389 R C 0.084 176.434 176.300 0.083 0.000 0.966 389 R CA -0.176 55.955 56.100 0.052 0.000 1.100 389 R CB 0.196 30.528 30.300 0.054 0.000 1.125 389 R HN 0.133 nan 8.270 nan 0.000 0.514 390 S N 0.363 116.120 115.700 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 -0.281 58.020 58.200 0.168 0.000 1.034 390 S CB 1.710 65.039 63.200 0.214 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 0.175 0.000 2.437 391 S HA 0.517 4.987 4.470 -0.001 0.000 0.305 391 S C -0.919 173.627 174.600 -0.090 0.000 1.109 391 S CA -0.550 57.611 58.200 -0.065 0.000 1.099 391 S CB 0.477 63.566 63.200 -0.185 0.000 1.004 391 S HN 0.556 nan 8.310 nan 0.000 0.475 392 F N 4.042 123.745 119.950 -0.410 0.000 2.427 392 F HA 0.561 5.088 4.527 -0.001 0.000 0.346 392 F C -1.484 174.000 175.800 -0.527 0.000 1.120 392 F CA -1.459 56.295 58.000 -0.410 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 5.529 125.535 120.300 -0.490 0.000 2.328 393 Y HA 0.402 4.951 4.550 -0.001 0.000 0.333 393 Y C -0.072 175.453 175.900 -0.624 0.000 0.958 393 Y CA -0.858 56.962 58.100 -0.467 0.000 1.167 393 Y CB 1.408 39.676 38.460 -0.320 0.000 1.151 393 Y HN 0.715 nan 8.280 nan 0.000 0.470 394 C N 5.781 124.810 119.300 -0.451 0.000 2.307 394 C HA 0.402 4.862 4.460 -0.001 0.000 0.340 394 C C 0.993 176.050 174.990 0.112 0.000 1.275 394 C CA -0.577 58.221 59.018 -0.367 0.000 1.811 394 C CB -0.801 26.668 27.740 -0.451 0.000 2.372 394 C HN 0.981 nan 8.230 nan 0.000 0.531 395 L N 4.409 125.757 121.223 0.209 0.000 2.554 395 L HA 0.150 4.489 4.340 -0.001 0.000 0.226 395 L C 2.261 179.186 176.870 0.093 0.000 1.137 395 L CA 1.257 56.083 54.840 -0.023 0.000 0.863 395 L CB -0.439 41.163 42.059 -0.761 0.000 0.985 395 L HN 0.690 nan 8.230 nan 0.000 0.451 396 E N -1.550 118.852 120.200 0.336 0.000 2.435 396 E HA -0.142 4.207 4.350 -0.001 0.000 0.195 396 E C 1.158 177.871 176.600 0.189 0.000 1.029 396 E CA 0.499 57.096 56.400 0.328 0.000 0.865 396 E CB -0.094 29.811 29.700 0.342 0.000 0.833 396 E HN 0.544 nan 8.360 nan 0.000 0.510 397 Y N -0.135 120.159 120.300 -0.011 0.000 2.495 397 Y HA 0.120 4.670 4.550 -0.001 0.000 0.293 397 Y C -0.394 175.275 175.900 -0.385 0.000 1.186 397 Y CA -0.320 57.678 58.100 -0.172 0.000 1.266 397 Y CB -0.005 38.320 38.460 -0.225 0.000 1.101 397 Y HN -0.229 nan 8.280 nan 0.000 0.517 398 F N 1.000 120.702 119.950 -0.414 0.000 2.495 398 F HA 0.433 4.959 4.527 -0.001 0.000 0.327 398 F C -2.170 173.287 175.800 -0.572 0.000 1.103 398 F CA -3.138 54.472 58.000 -0.650 0.000 0.949 398 F CB 0.900 39.168 39.000 -1.221 0.000 1.142 398 F HN -0.058 nan 8.300 nan 0.000 0.457 399 P HA 0.161 nan 4.420 nan 0.000 0.266 399 P C -1.053 176.179 177.300 -0.113 0.000 1.215 399 P CA -0.051 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 1.697 117.393 115.700 -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 -1.037 57.248 58.200 0.142 0.000 0.930 400 S CB 1.619 64.977 63.200 0.263 0.000 1.070 400 S HN 0.440 nan 8.310 nan 0.000 0.480 401 Q N 1.876 121.810 119.800 0.223 0.000 2.288 401 Q HA 0.391 4.731 4.340 -0.001 0.000 0.258 401 Q C -0.956 175.150 176.000 0.177 0.000 0.957 401 Q CA -0.170 55.760 55.803 0.211 0.000 0.919 401 Q CB 0.507 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 4.483 124.166 119.600 0.138 0.000 2.209 402 M HA 0.330 4.810 4.480 -0.001 0.000 0.355 402 M C -1.219 175.147 176.300 0.111 0.000 1.171 402 M CA -0.716 54.650 55.300 0.111 0.000 1.069 402 M CB 0.950 33.599 32.600 0.081 0.000 1.622 402 M HN 0.450 nan 8.290 nan 0.000 0.459 403 L N 2.846 124.133 121.223 0.107 0.000 2.362 403 L HA 0.591 4.931 4.340 -0.001 0.000 0.275 403 L C -0.137 176.786 176.870 0.088 0.000 0.998 403 L CA -0.335 54.575 54.840 0.115 0.000 0.820 403 L CB 1.702 43.854 42.059 0.154 0.000 1.270 403 L HN 0.598 nan 8.230 nan 0.000 0.415 404 R N -0.029 120.516 120.500 0.076 0.000 2.602 404 R HA 0.656 4.995 4.340 -0.001 0.000 0.237 404 R C -0.468 175.868 176.300 0.061 0.000 1.219 404 R CA -0.543 55.590 56.100 0.055 0.000 1.121 404 R CB 0.956 31.281 30.300 0.042 0.000 1.408 404 R HN 0.621 nan 8.270 nan 0.000 0.559 405 T N 0.628 115.206 114.554 0.040 0.000 2.817 405 T HA 0.339 4.688 4.350 -0.001 0.000 0.295 405 T C 0.808 175.537 174.700 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 69.507 68.868 0.012 0.000 0.898 405 T HN 0.772 nan 8.240 nan 0.000 0.536 406 G N 3.713 112.554 108.800 0.067 0.000 2.218 406 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.216 406 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.216 406 G C 0.209 175.159 174.900 0.084 0.000 0.994 406 G CA -0.680 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 1.726 120.485 118.700 0.097 0.000 2.445 407 N HA 0.564 5.303 4.740 -0.001 0.000 0.264 407 N C 0.107 175.714 175.510 0.162 0.000 1.227 407 N CA 0.388 53.508 53.050 0.117 0.000 0.963 407 N CB 0.891 39.449 38.487 0.118 0.000 1.188 407 N HN 0.760 nan 8.380 nan 0.000 0.491 408 N N -0.675 118.134 118.700 0.182 0.000 2.934 408 N HA 0.384 5.124 4.740 -0.001 0.000 0.253 408 N C -1.879 173.804 175.510 0.290 0.000 1.466 408 N CA -0.561 52.634 53.050 0.243 0.000 0.858 408 N CB 1.295 39.909 38.487 0.213 0.000 1.459 408 N HN 0.366 nan 8.380 nan 0.000 0.532 409 F N 0.121 120.158 119.950 0.146 0.000 2.529 409 F HA 0.523 5.049 4.527 -0.001 0.000 0.320 409 F C -0.746 175.143 175.800 0.148 0.000 1.118 409 F CA -0.392 57.695 58.000 0.145 0.000 0.915 409 F CB 2.042 41.141 39.000 0.164 0.000 1.161 409 F HN 0.577 nan 8.300 nan 0.000 0.445 410 Q N 5.086 124.526 119.800 -0.601 0.000 2.377 410 Q HA 0.676 5.016 4.340 -0.001 0.000 0.271 410 Q C -2.048 173.716 176.000 -0.394 0.000 1.077 410 Q CA -0.643 54.953 55.803 -0.345 0.000 0.820 410 Q CB 2.132 30.750 28.738 -0.199 0.000 1.347 410 Q HN 0.691 nan 8.270 nan 0.000 0.444 411 F N 0.658 120.471 119.950 -0.229 0.000 2.669 411 F HA 0.581 5.108 4.527 -0.001 0.000 0.315 411 F C -1.596 174.203 175.800 -0.002 0.000 1.109 411 F CA -0.238 57.700 58.000 -0.103 0.000 1.028 411 F CB 1.493 40.533 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 0.608 5.078 4.470 -0.001 0.000 0.287 412 S C -2.044 172.080 174.600 -0.793 0.000 1.101 412 S CA -0.625 57.197 58.200 -0.631 0.000 0.950 412 S CB 1.991 64.986 63.200 -0.341 0.000 1.056 412 S HN 0.644 nan 8.310 nan 0.000 0.481 413 Y N 0.990 120.900 120.300 -0.650 0.000 2.524 413 Y HA 0.613 5.163 4.550 -0.001 0.000 0.347 413 Y C -1.105 174.553 175.900 -0.403 0.000 1.005 413 Y CA -0.388 57.380 58.100 -0.554 0.000 1.025 413 Y CB 1.785 39.921 38.460 -0.540 0.000 1.275 413 Y HN 0.550 nan 8.280 nan 0.000 0.460 414 T N 6.538 120.378 114.554 -1.190 0.000 2.815 414 T HA 0.409 4.759 4.350 -0.001 0.000 0.289 414 T C -0.819 173.204 174.700 -1.127 0.000 1.000 414 T CA -0.403 61.191 62.100 -0.843 0.000 0.958 414 T CB 0.093 68.674 68.868 -0.479 0.000 0.944 414 T HN 0.411 nan 8.240 nan 0.000 0.442 415 F N 2.590 122.145 119.950 -0.658 0.000 2.490 415 F HA 0.228 4.755 4.527 -0.001 0.000 0.336 415 F C 1.530 177.146 175.800 -0.306 0.000 1.178 415 F CA -0.459 57.314 58.000 -0.378 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 -0.156 120.043 120.200 -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 0.378 30.079 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 -1.135 175.137 176.300 -0.046 0.000 1.278 417 D CA 0.200 54.162 54.000 -0.062 0.000 0.910 417 D CB 0.985 41.757 40.800 -0.047 0.000 1.079 417 D HN 0.219 nan 8.370 nan 0.000 0.496 418 V N 4.421 124.292 119.914 -0.072 0.000 2.577 418 V HA 0.445 4.565 4.120 -0.001 0.000 0.303 418 V C -2.455 173.633 176.094 -0.011 0.000 1.042 418 V CA -2.384 59.917 62.300 0.001 0.000 0.872 418 V CB 2.052 33.925 31.823 0.084 0.000 0.998 418 V HN 0.325 nan 8.190 nan 0.000 0.423 419 P HA 0.077 nan 4.420 nan 0.000 0.266 419 P C -0.523 176.870 177.300 0.154 0.000 1.186 419 P CA 0.332 63.480 63.100 0.080 0.000 0.767 419 P CB 0.101 31.855 31.700 0.090 0.000 0.820 420 F N 0.825 120.873 119.950 0.164 0.000 2.595 420 F HA 0.017 4.544 4.527 -0.001 0.000 0.359 420 F C 1.785 177.667 175.800 0.136 0.000 1.147 420 F CA 0.482 58.594 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 0.888 120.029 119.070 0.119 0.000 2.679 421 H HA 0.199 4.755 4.556 -0.001 0.000 0.369 421 H C -0.369 174.962 175.328 0.006 0.000 1.178 421 H CA -0.438 55.523 56.048 -0.145 0.000 1.419 421 H CB 0.689 30.134 29.762 -0.530 0.000 1.458 421 H HN 0.471 nan 8.280 nan 0.000 0.605 422 S N 2.419 117.552 115.700 -0.945 0.000 2.416 422 S HA 0.084 4.554 4.470 -0.001 0.000 0.302 422 S C 0.122 174.416 174.600 -0.510 0.000 1.120 422 S CA -0.403 57.415 58.200 -0.637 0.000 1.067 422 S CB 0.305 62.967 63.200 -0.897 0.000 1.057 422 S HN 0.592 nan 8.310 nan 0.000 0.518 423 S N 2.958 118.669 115.700 0.020 0.000 2.602 423 S HA 0.257 4.727 4.470 -0.001 0.000 0.246 423 S C -0.184 174.495 174.600 0.132 0.000 1.009 423 S CA -0.555 57.730 58.200 0.142 0.000 1.052 423 S CB -0.507 62.864 63.200 0.285 0.000 0.778 423 S HN 0.806 nan 8.310 nan 0.000 0.455 424 Y N -1.710 118.468 120.300 -0.203 0.000 2.638 424 Y HA 0.891 5.441 4.550 -0.001 0.000 0.339 424 Y C -0.817 174.876 175.900 -0.345 0.000 1.084 424 Y CA -1.886 56.022 58.100 -0.320 0.000 1.068 424 Y CB 0.734 38.801 38.460 -0.656 0.000 1.294 424 Y HN -0.057 nan 8.280 nan 0.000 0.480 425 A N 1.091 123.757 122.820 -0.256 0.000 2.414 425 A HA 0.539 4.859 4.320 -0.001 0.000 0.306 425 A C -1.504 175.961 177.584 -0.198 0.000 1.054 425 A CA -0.889 50.966 52.037 -0.304 0.000 0.724 425 A CB 0.681 19.588 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 0.124 4.679 4.556 -0.001 0.000 0.341 426 H C 1.361 176.684 175.328 -0.008 0.000 1.072 426 H CA 1.000 57.048 56.048 -0.001 0.000 1.444 426 H CB 1.350 31.106 29.762 -0.010 0.000 1.458 426 H HN 0.784 nan 8.280 nan 0.000 0.572 427 S N 2.205 117.975 115.700 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 0.488 63.728 63.200 0.067 0.000 0.776 427 S HN 0.595 nan 8.310 nan 0.000 0.526 428 Q N 0.384 120.230 119.800 0.077 0.000 2.486 428 Q HA 0.661 5.001 4.340 -0.001 0.000 0.274 428 Q C -1.134 174.883 176.000 0.028 0.000 1.076 428 Q CA -0.803 55.025 55.803 0.042 0.000 0.872 428 Q CB 1.905 30.659 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 57.634 58.200 -0.003 0.000 0.980 429 S CB 0.877 64.078 63.200 0.003 0.000 1.048 429 S HN 0.717 nan 8.310 nan 0.000 0.483 430 L N 2.302 123.516 121.223 -0.015 0.000 2.137 430 L HA -0.167 4.173 4.340 -0.001 0.000 0.213 430 L C 1.921 178.809 176.870 0.030 0.000 1.085 430 L CA 2.067 56.916 54.840 0.015 0.000 0.760 430 L CB -0.225 41.849 42.059 0.025 0.000 0.893 430 L HN 0.819 nan 8.230 nan 0.000 0.434 431 D N -1.627 118.776 120.400 0.005 0.000 2.355 431 D HA -0.081 4.558 4.640 -0.001 0.000 0.206 431 D C 0.881 177.175 176.300 -0.011 0.000 1.010 431 D CA 0.133 54.128 54.000 -0.008 0.000 0.875 431 D CB 0.030 40.816 40.800 -0.025 0.000 0.966 431 D HN 0.152 nan 8.370 nan 0.000 0.512 432 R N 1.171 121.669 120.500 -0.004 0.000 4.017 432 R HA 0.235 4.575 4.340 -0.001 0.000 0.272 432 R C 0.555 176.859 176.300 0.006 0.000 1.516 432 R CA -0.272 55.827 56.100 -0.003 0.000 1.519 432 R CB 0.446 30.746 30.300 -0.000 0.000 1.422 432 R HN 0.199 nan 8.270 nan 0.000 0.719 433 L N 0.485 121.713 121.223 0.009 0.000 2.609 433 L HA 0.224 4.564 4.340 -0.001 0.000 0.230 433 L C 0.347 177.227 176.870 0.017 0.000 1.064 433 L CA 0.852 55.706 54.840 0.023 0.000 0.873 433 L CB 0.140 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 -0.876 118.723 119.600 -0.001 0.000 2.116 434 M HA 0.270 4.749 4.480 -0.001 0.000 0.235 434 M C 0.418 176.713 176.300 -0.008 0.000 1.193 434 M CA -0.371 54.922 55.300 -0.011 0.000 0.959 434 M CB -0.805 31.774 32.600 -0.036 0.000 1.313 434 M HN -0.141 nan 8.290 nan 0.000 0.530 435 N N 0.767 119.459 118.700 -0.013 0.000 2.408 435 N HA 0.300 5.040 4.740 -0.001 0.000 0.257 435 N C -2.149 173.354 175.510 -0.012 0.000 1.064 435 N CA -1.703 51.343 53.050 -0.008 0.000 0.952 435 N CB 0.703 39.187 38.487 -0.006 0.000 1.093 435 N HN 0.345 nan 8.380 nan 0.000 0.490 436 P HA -0.019 nan 4.420 nan 0.000 0.225 436 P C 0.813 178.109 177.300 -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 -2.124 119.096 121.223 -0.005 0.000 2.470 437 L HA 0.141 4.481 4.340 -0.001 0.000 0.219 437 L C 1.021 177.889 176.870 -0.004 0.000 1.071 437 L CA 0.683 55.521 54.840 -0.003 0.000 0.850 437 L CB -0.284 41.774 42.059 -0.001 0.000 1.040 437 L HN -0.126 nan 8.230 nan 0.000 0.475 438 I N -0.680 119.886 120.570 -0.006 0.000 2.607 438 I HA 0.308 4.477 4.170 -0.001 0.000 0.305 438 I C -0.527 175.579 176.117 -0.019 0.000 0.995 438 I CA -0.838 60.458 61.300 -0.006 0.000 1.148 438 I CB 1.290 39.290 38.000 0.001 0.000 1.323 438 I HN -0.062 nan 8.210 nan 0.000 0.461 439 D N 2.945 123.334 120.400 -0.019 0.000 2.253 439 D HA 0.370 5.009 4.640 -0.001 0.000 0.249 439 D C 0.189 176.450 176.300 -0.064 0.000 1.049 439 D CA -0.346 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 0.137 119.866 119.800 -0.118 0.000 2.500 440 Q HA 0.164 4.503 4.340 -0.001 0.000 0.215 440 Q C 0.134 176.035 176.000 -0.165 0.000 1.062 440 Q CA -0.214 55.459 55.803 -0.217 0.000 0.996 440 Q CB 0.462 29.041 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 -0.185 175.706 175.900 -0.014 0.000 1.168 441 Y CA -0.510 57.568 58.100 -0.037 0.000 1.226 441 Y CB 0.379 38.846 38.460 0.013 0.000 1.177 441 Y HN 0.173 nan 8.280 nan 0.000 0.527 442 L N 0.981 122.158 121.223 -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 1.089 43.127 42.059 -0.036 0.000 1.207 442 L HN 0.084 nan 8.230 nan 0.000 0.445 443 Y N 0.401 120.743 120.300 0.070 0.000 2.468 443 Y HA 0.468 5.018 4.550 -0.001 0.000 0.342 443 Y C -0.411 175.576 175.900 0.145 0.000 1.021 443 Y CA -0.619 57.514 58.100 0.054 0.000 1.079 443 Y CB 1.851 40.291 38.460 -0.032 0.000 1.226 443 Y HN 0.393 nan 8.280 nan 0.000 0.460 444 Y N 0.433 120.882 120.300 0.248 0.000 2.602 444 Y HA 0.728 5.277 4.550 -0.001 0.000 0.342 444 Y C -1.630 174.481 175.900 0.351 0.000 1.029 444 Y CA -1.868 56.371 58.100 0.232 0.000 1.080 444 Y CB 1.149 39.671 38.460 0.103 0.000 1.284 444 Y HN 0.545 nan 8.280 nan 0.000 0.485 445 L N 3.245 124.720 121.223 0.420 0.000 2.257 445 L HA 0.411 4.751 4.340 -0.001 0.000 0.290 445 L C -0.036 176.914 176.870 0.133 0.000 1.044 445 L CA -0.079 54.845 54.840 0.140 0.000 0.810 445 L CB 0.588 42.702 42.059 0.091 0.000 1.193 445 L HN 1.044 nan 8.230 nan 0.000 0.425 446 N N 2.573 121.276 118.700 0.006 0.000 2.210 446 N HA 0.164 4.903 4.740 -0.001 0.000 0.203 446 N C -0.384 175.123 175.510 -0.005 0.000 1.175 446 N CA -0.659 52.452 53.050 0.102 0.000 0.894 446 N CB 0.584 39.210 38.487 0.232 0.000 1.041 446 N HN 0.334 nan 8.380 nan 0.000 0.506 447 R N 1.052 121.491 120.500 -0.101 0.000 2.476 447 R HA 0.257 4.597 4.340 -0.001 0.000 0.305 447 R C 0.074 176.290 176.300 -0.141 0.000 0.965 447 R CA -0.318 55.721 56.100 -0.101 0.000 0.867 447 R CB 1.486 31.726 30.300 -0.100 0.000 1.176 447 R HN 0.236 nan 8.270 nan 0.000 0.447 448 T N -1.541 112.958 114.554 -0.090 0.000 3.042 448 T HA -0.063 4.287 4.350 -0.001 0.000 0.245 448 T C 1.302 175.961 174.700 -0.068 0.000 1.029 448 T CA 0.493 62.542 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 1.065 120.834 119.800 -0.052 0.000 2.577 449 Q HA 0.360 4.699 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 -0.491 28.230 28.738 -0.028 0.000 1.272 449 Q HN 0.320 nan 8.270 nan 0.000 0.593 450 G N 1.740 110.520 108.800 -0.034 0.000 2.151 450 G HA2 0.272 4.232 3.960 -0.001 0.000 0.269 450 G HA3 0.272 4.232 3.960 -0.001 0.000 0.269 450 G C -0.420 174.461 174.900 -0.032 0.000 1.069 450 G CA 0.856 45.939 45.100 -0.028 0.000 1.080 450 G HN 0.370 nan 8.290 nan 0.000 0.405 451 T N 0.735 115.274 114.554 -0.026 0.000 2.551 451 T HA 0.332 4.682 4.350 -0.001 0.000 0.249 451 T C 0.672 175.362 174.700 -0.017 0.000 0.851 451 T CA -0.577 61.508 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 0.623 175.316 174.700 -0.010 0.000 1.007 452 T CA 0.149 62.243 62.100 -0.011 0.000 1.171 452 T CB -0.652 68.211 68.868 -0.009 0.000 1.153 452 T HN 0.531 nan 8.240 nan 0.000 0.854 453 S N 2.613 118.307 115.700 -0.010 0.000 3.829 453 S HA 0.349 4.818 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 -0.157 58.037 58.200 -0.009 0.000 0.955 453 S CB -0.644 62.550 63.200 -0.009 0.000 1.611 453 S HN 0.811 nan 8.310 nan 0.000 0.483 454 G N 2.009 110.805 108.800 -0.007 0.000 2.449 454 G HA2 0.293 4.253 3.960 -0.001 0.000 0.192 454 G HA3 0.293 4.253 3.960 -0.001 0.000 0.192 454 G C -0.223 174.674 174.900 -0.006 0.000 1.776 454 G CA -0.121 44.976 45.100 -0.006 0.000 0.699 454 G HN 0.512 nan 8.290 nan 0.000 0.745 455 T N 1.583 116.133 114.554 -0.006 0.000 2.824 455 T HA 0.475 4.825 4.350 -0.001 0.000 0.280 455 T C 0.286 174.983 174.700 -0.006 0.000 0.995 455 T CA 0.557 62.654 62.100 -0.005 0.000 1.009 455 T CB 1.252 70.117 68.868 -0.004 0.000 0.955 455 T HN 0.510 nan 8.240 nan 0.000 0.452 456 T N 3.278 117.829 114.554 -0.006 0.000 3.935 456 T HA -0.173 4.176 4.350 -0.001 0.000 0.346 456 T C 0.160 174.856 174.700 -0.008 0.000 0.758 456 T CA 0.579 62.675 62.100 -0.006 0.000 1.874 456 T CB -1.237 67.628 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 1.423 176.925 175.510 -0.012 0.000 1.221 457 N CA -0.459 52.584 53.050 -0.011 0.000 0.847 457 N CB 1.288 39.768 38.487 -0.012 0.000 1.150 457 N HN 0.534 nan 8.380 nan 0.000 0.507 458 Q N 0.276 120.069 119.800 -0.012 0.000 2.036 458 Q HA 0.042 4.382 4.340 -0.001 0.000 0.195 458 Q C 0.327 176.316 176.000 -0.017 0.000 0.971 458 Q CA 0.841 56.636 55.803 -0.013 0.000 0.826 458 Q CB -0.072 28.660 28.738 -0.011 0.000 0.896 458 Q HN 0.337 nan 8.270 nan 0.000 0.449 459 S N -1.045 114.644 115.700 -0.020 0.000 2.596 459 S HA 0.787 5.256 4.470 -0.001 0.000 0.270 459 S C -1.018 173.562 174.600 -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 0.422 nan 8.310 nan 0.000 0.467 460 R N 0.215 120.686 120.500 -0.048 0.000 2.687 460 R HA 0.414 4.754 4.340 -0.001 0.000 0.265 460 R C -2.097 174.140 176.300 -0.105 0.000 1.048 460 R CA -0.769 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 5.140 126.290 121.223 -0.123 0.000 2.259 461 L HA 0.451 4.790 4.340 -0.001 0.000 0.288 461 L C -0.676 175.945 176.870 -0.416 0.000 1.051 461 L CA -0.433 54.249 54.840 -0.264 0.000 0.824 461 L CB 0.849 42.815 42.059 -0.154 0.000 1.206 461 L HN 0.345 nan 8.230 nan 0.000 0.429 462 L N 3.668 124.561 121.223 -0.550 0.000 2.365 462 L HA 0.590 4.930 4.340 -0.001 0.000 0.273 462 L C -0.922 175.561 176.870 -0.645 0.000 1.000 462 L CA -0.458 54.117 54.840 -0.441 0.000 0.819 462 L CB 1.967 43.907 42.059 -0.199 0.000 1.284 462 L HN 0.303 nan 8.230 nan 0.000 0.418 463 F N 0.303 120.216 119.950 -0.060 0.000 2.520 463 F HA 0.518 5.044 4.527 -0.001 0.000 0.322 463 F C 0.318 176.069 175.800 -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 0.265 nan 8.300 nan 0.000 0.453 464 S N 1.569 117.162 115.700 -0.180 0.000 2.503 464 S HA 0.308 4.778 4.470 -0.001 0.000 0.301 464 S C -0.824 173.513 174.600 -0.439 0.000 1.087 464 S CA -0.802 57.228 58.200 -0.284 0.000 1.042 464 S CB 1.664 64.616 63.200 -0.413 0.000 1.043 464 S HN 0.658 nan 8.310 nan 0.000 0.489 465 Q N 2.385 121.966 119.800 -0.365 0.000 2.286 465 Q HA 0.529 4.868 4.340 -0.001 0.000 0.257 465 Q C -0.178 175.701 176.000 -0.202 0.000 0.941 465 Q CA -0.707 54.652 55.803 -0.741 0.000 0.912 465 Q CB 0.787 28.967 28.738 -0.931 0.000 1.192 465 Q HN 0.758 nan 8.270 nan 0.000 0.410 466 A N 3.164 125.959 122.820 -0.041 0.000 2.565 466 A HA 0.460 4.780 4.320 -0.001 0.000 0.237 466 A C 0.313 177.899 177.584 0.002 0.000 1.053 466 A CA 0.763 52.871 52.037 0.119 0.000 0.755 466 A CB 0.040 19.049 19.000 0.015 0.000 0.980 466 A HN 0.863 nan 8.150 nan 0.000 0.506 467 G N 1.147 109.964 108.800 0.029 0.000 2.642 467 G HA2 0.583 4.542 3.960 -0.001 0.000 0.293 467 G HA3 0.583 4.542 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 -0.109 nan 4.420 nan 0.000 0.221 468 P C 1.577 178.870 177.300 -0.012 0.000 1.145 468 P CA 1.119 64.209 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 -0.253 119.546 119.800 -0.002 0.000 1.994 469 Q HA -0.044 4.296 4.340 -0.001 0.000 0.198 469 Q C 1.332 177.332 176.000 -0.001 0.000 0.976 469 Q CA 1.556 57.361 55.803 0.003 0.000 0.828 469 Q CB -0.770 27.977 28.738 0.015 0.000 0.894 469 Q HN 0.295 nan 8.270 nan 0.000 0.432 470 S N 0.337 116.043 115.700 0.009 0.000 3.864 470 S HA 0.130 4.599 4.470 -0.001 0.000 0.202 470 S C 0.994 175.545 174.600 -0.082 0.000 1.402 470 S CA -0.205 57.984 58.200 -0.019 0.000 1.072 470 S CB -0.176 63.051 63.200 0.046 0.000 1.383 470 S HN 0.246 nan 8.310 nan 0.000 0.458 471 M N 2.109 121.672 119.600 -0.062 0.000 2.319 471 M HA -0.061 4.418 4.480 -0.001 0.000 0.265 471 M C 1.636 177.882 176.300 -0.090 0.000 1.068 471 M CA 1.351 56.611 55.300 -0.067 0.000 1.118 471 M CB -0.040 32.534 32.600 -0.043 0.000 1.395 471 M HN 0.684 nan 8.290 nan 0.000 0.435 472 S N -1.141 114.498 115.700 -0.101 0.000 2.574 472 S HA 0.260 4.730 4.470 -0.001 0.000 0.242 472 S C 0.839 175.342 174.600 -0.162 0.000 0.982 472 S CA -0.544 57.590 58.200 -0.109 0.000 0.977 472 S CB -0.159 62.993 63.200 -0.081 0.000 0.814 472 S HN 0.544 nan 8.310 nan 0.000 0.464 473 L N -0.228 120.847 121.223 -0.247 0.000 2.840 473 L HA 0.314 4.654 4.340 -0.001 0.000 0.249 473 L C 0.632 177.218 176.870 -0.474 0.000 1.119 473 L CA -0.230 54.357 54.840 -0.422 0.000 0.930 473 L CB 0.097 41.750 42.059 -0.677 0.000 1.295 473 L HN 0.265 nan 8.230 nan 0.000 0.534 474 Q N 1.353 120.964 119.800 -0.315 0.000 2.428 474 Q HA 0.278 4.617 4.340 -0.001 0.000 0.276 474 Q C 0.510 176.411 176.000 -0.164 0.000 1.059 474 Q CA -0.094 55.578 55.803 -0.218 0.000 0.923 474 Q CB 0.839 29.489 28.738 -0.146 0.000 1.283 474 Q HN 0.274 nan 8.270 nan 0.000 0.447 475 A N 2.083 124.830 122.820 -0.122 0.000 2.531 475 A HA 0.153 4.472 4.320 -0.001 0.000 0.236 475 A C 0.037 177.547 177.584 -0.124 0.000 1.062 475 A CA 0.266 52.242 52.037 -0.103 0.000 0.760 475 A CB 0.280 19.227 19.000 -0.089 0.000 0.995 475 A HN 0.604 nan 8.150 nan 0.000 0.501 476 R N 0.326 120.752 120.500 -0.123 0.000 2.892 476 R HA 0.484 4.823 4.340 -0.001 0.000 0.265 476 R C 0.349 176.511 176.300 -0.230 0.000 1.025 476 R CA -0.604 55.411 56.100 -0.142 0.000 0.982 476 R CB 1.042 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 -0.453 118.024 118.700 -0.370 0.000 2.332 477 N HA 0.174 4.914 4.740 -0.001 0.000 0.190 477 N C -0.968 173.994 175.510 -0.913 0.000 1.117 477 N CA 0.345 52.925 53.050 -0.783 0.000 0.883 477 N CB 0.473 38.270 38.487 -1.151 0.000 1.089 477 N HN 0.361 nan 8.380 nan 0.000 0.480 478 W N 0.168 121.470 121.300 0.004 0.000 2.975 478 W HA 0.591 5.250 4.660 -0.001 0.000 0.342 478 W C -0.609 175.926 176.519 0.027 0.000 1.168 478 W CA -0.816 56.540 57.345 0.019 0.000 1.141 478 W CB 0.833 30.297 29.460 0.007 0.000 1.445 478 W HN -0.354 nan 8.180 nan 0.000 0.560 479 L N 1.941 123.358 121.223 0.323 0.000 2.322 479 L HA 0.626 4.965 4.340 -0.001 0.000 0.269 479 L C -2.104 174.894 176.870 0.213 0.000 1.012 479 L CA -2.807 52.163 54.840 0.217 0.000 0.815 479 L CB 0.582 42.772 42.059 0.219 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 0.590 109.535 108.800 0.242 0.000 2.683 481 G HA2 0.301 4.261 3.960 -0.001 0.000 0.260 481 G HA3 0.301 4.261 3.960 -0.001 0.000 0.260 481 G C -2.297 172.650 174.900 0.079 0.000 1.238 481 G CA -0.932 44.273 45.100 0.175 0.000 0.934 481 G HN 0.363 nan 8.290 nan 0.000 0.534 482 P HA 0.263 nan 4.420 nan 0.000 0.274 482 P C -0.041 177.199 177.300 -0.099 0.000 1.260 482 P CA -0.114 62.864 63.100 -0.204 0.000 0.793 482 P CB 0.832 32.317 31.700 -0.358 0.000 1.048 483 C N -0.825 118.404 119.300 -0.118 0.000 3.239 483 C HA 0.694 5.153 4.460 -0.001 0.000 0.317 483 C C -1.678 173.346 174.990 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 1.923 122.193 120.300 -0.049 0.000 2.484 484 Y HA 0.484 5.033 4.550 -0.001 0.000 0.348 484 Y C 0.417 176.310 175.900 -0.011 0.000 1.103 484 Y CA -0.313 57.764 58.100 -0.038 0.000 1.317 484 Y CB 0.435 38.878 38.460 -0.028 0.000 1.096 484 Y HN 1.034 nan 8.280 nan 0.000 0.568 485 R N 3.693 124.105 120.500 -0.146 0.000 2.500 485 R HA -0.000 4.339 4.340 -0.001 0.000 0.281 485 R C -0.383 175.871 176.300 -0.076 0.000 0.953 485 R CA 0.785 56.829 56.100 -0.093 0.000 1.108 485 R CB 0.502 30.731 30.300 -0.120 0.000 0.901 485 R HN 0.614 nan 8.270 nan 0.000 0.410 486 Q N 2.158 121.939 119.800 -0.032 0.000 2.241 486 Q HA 0.134 4.474 4.340 -0.001 0.000 0.262 486 Q C -0.711 175.248 176.000 -0.068 0.000 1.014 486 Q CA -0.857 54.913 55.803 -0.054 0.000 0.885 486 Q CB 1.627 30.319 28.738 -0.076 0.000 1.311 486 Q HN 0.504 nan 8.270 nan 0.000 0.461 487 Q N 1.139 120.894 119.800 -0.074 0.000 2.340 487 Q HA 0.152 4.492 4.340 -0.001 0.000 0.249 487 Q C -0.817 175.149 176.000 -0.058 0.000 0.957 487 Q CA 0.159 55.944 55.803 -0.031 0.000 0.882 487 Q CB 0.765 29.542 28.738 0.065 0.000 1.235 487 Q HN 0.381 nan 8.270 nan 0.000 0.439 488 R N 3.005 123.479 120.500 -0.043 0.000 2.308 488 R HA 0.445 4.785 4.340 -0.001 0.000 0.305 488 R C -1.186 175.097 176.300 -0.029 0.000 1.053 488 R CA -0.448 55.617 56.100 -0.058 0.000 0.957 488 R CB 0.357 30.599 30.300 -0.095 0.000 1.022 488 R HN 0.526 nan 8.270 nan 0.000 0.461 489 L N 1.777 122.888 121.223 -0.185 0.000 2.341 489 L HA 0.434 4.774 4.340 -0.001 0.000 0.267 489 L C -0.249 176.516 176.870 -0.176 0.000 1.009 489 L CA -0.183 54.486 54.840 -0.285 0.000 0.819 489 L CB 2.019 43.578 42.059 -0.834 0.000 1.323 489 L HN 0.574 nan 8.230 nan 0.000 0.425 490 S N 0.095 115.761 115.700 -0.057 0.000 2.537 490 S HA 0.456 4.925 4.470 -0.001 0.000 0.301 490 S C 0.742 175.341 174.600 -0.002 0.000 1.092 490 S CA -0.570 57.521 58.200 -0.182 0.000 1.048 490 S CB 1.108 64.142 63.200 -0.277 0.000 1.053 490 S HN 0.641 nan 8.310 nan 0.000 0.501 491 K N 1.109 121.513 120.400 0.007 0.000 2.296 491 K HA 0.032 4.351 4.320 -0.001 0.000 0.200 491 K C 0.194 176.801 176.600 0.012 0.000 1.048 491 K CA 0.730 57.069 56.287 0.086 0.000 0.966 491 K CB -0.202 32.318 32.500 0.034 0.000 0.754 491 K HN 0.541 nan 8.250 nan 0.000 0.466 492 T N 1.751 116.276 114.554 -0.048 0.000 2.727 492 T HA 0.215 4.565 4.350 -0.001 0.000 0.295 492 T C 0.496 175.196 174.700 -0.000 0.000 0.915 492 T CA -0.366 61.715 62.100 -0.033 0.000 1.066 492 T CB 1.296 70.129 68.868 -0.060 0.000 0.891 492 T HN 0.118 nan 8.240 nan 0.000 0.516 493 A N 3.937 126.768 122.820 0.018 0.000 2.190 493 A HA 0.068 4.388 4.320 -0.001 0.000 0.226 493 A C 1.517 179.123 177.584 0.036 0.000 1.402 493 A CA -0.086 51.974 52.037 0.037 0.000 1.288 493 A CB -0.799 18.222 19.000 0.035 0.000 0.833 493 A HN 0.956 nan 8.150 nan 0.000 0.564 494 N N -2.554 116.164 118.700 0.030 0.000 1.952 494 N HA -0.033 4.707 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 0.113 38.611 38.487 0.019 0.000 1.101 494 N HN 0.141 nan 8.380 nan 0.000 0.498 495 D N 0.852 121.276 120.400 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 54.578 54.000 0.065 0.000 0.874 495 D CB 0.052 40.898 40.800 0.078 0.000 0.930 495 D HN 0.250 nan 8.370 nan 0.000 0.521 496 N N 1.059 119.811 118.700 0.086 0.000 2.463 496 N HA 0.033 4.773 4.740 -0.001 0.000 0.270 496 N C 0.068 175.614 175.510 0.060 0.000 1.205 496 N CA -0.333 52.781 53.050 0.106 0.000 0.974 496 N CB 0.443 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 0.752 119.450 118.700 -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 0.140 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 1.636 120.350 118.700 0.024 0.000 3.210 498 N HA -0.023 4.716 4.740 -0.001 0.000 0.314 498 N C -0.845 174.706 175.510 0.068 0.000 1.291 498 N CA -0.276 52.806 53.050 0.054 0.000 1.202 498 N CB -0.031 38.476 38.487 0.032 0.000 1.475 498 N HN 0.475 nan 8.380 nan 0.000 0.554 499 S N 0.033 115.808 115.700 0.124 0.000 2.661 499 S HA 0.294 4.764 4.470 -0.001 0.000 0.285 499 S C -0.773 174.022 174.600 0.324 0.000 1.138 499 S CA -1.076 57.222 58.200 0.164 0.000 0.855 499 S CB 1.604 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 0.741 119.597 118.700 0.259 0.000 2.699 500 N HA 0.420 5.159 4.740 -0.001 0.000 0.232 500 N C -0.600 175.064 175.510 0.258 0.000 1.027 500 N CA -1.036 52.141 53.050 0.212 0.000 0.920 500 N CB -0.285 38.268 38.487 0.109 0.000 1.148 500 N HN 0.678 nan 8.380 nan 0.000 0.509 501 F N 1.165 121.157 119.950 0.069 0.000 2.791 501 F HA 0.573 5.100 4.527 -0.001 0.000 0.308 501 F C -1.840 174.023 175.800 0.105 0.000 1.138 501 F CA -1.608 56.438 58.000 0.077 0.000 1.294 501 F CB 0.664 39.688 39.000 0.039 0.000 0.975 501 F HN 0.191 nan 8.300 nan 0.000 0.512 502 P HA -0.077 nan 4.420 nan 0.000 0.242 502 P C 0.780 178.186 177.300 0.178 0.000 1.197 502 P CA 1.108 64.162 63.100 -0.078 0.000 0.765 502 P CB -0.052 31.614 31.700 -0.056 0.000 0.936 503 W N -0.282 121.024 121.300 0.009 0.000 3.792 503 W HA 0.021 4.681 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 -0.116 29.344 29.460 -0.000 0.000 0.773 503 W HN -0.099 nan 8.180 nan 0.000 0.836 504 T N -0.486 114.128 114.554 0.099 0.000 3.055 504 T HA 0.224 4.573 4.350 -0.001 0.000 0.265 504 T C 1.352 176.048 174.700 -0.007 0.000 1.111 504 T CA 1.128 63.225 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 0.996 178.646 177.584 0.109 0.000 1.202 505 A CA -0.074 52.037 52.037 0.124 0.000 0.959 505 A CB 0.098 19.264 19.000 0.276 0.000 1.124 505 A HN 0.633 nan 8.150 nan 0.000 0.543 506 A N -0.009 122.847 122.820 0.060 0.000 2.279 506 A HA 0.671 4.990 4.320 -0.001 0.000 0.303 506 A C 0.375 177.996 177.584 0.061 0.000 1.108 506 A CA -0.245 51.856 52.037 0.106 0.000 0.830 506 A CB 0.382 19.526 19.000 0.241 0.000 1.106 506 A HN 0.239 nan 8.150 nan 0.000 0.493 507 S N 0.789 116.581 115.700 0.152 0.000 2.549 507 S HA 0.453 4.923 4.470 -0.001 0.000 0.279 507 S C 0.006 174.735 174.600 0.216 0.000 1.321 507 S CA -0.221 58.098 58.200 0.198 0.000 1.054 507 S CB 0.173 63.553 63.200 0.300 0.000 0.899 507 S HN 0.668 nan 8.310 nan 0.000 0.497 508 K N 1.140 121.645 120.400 0.175 0.000 2.571 508 K HA 0.580 4.900 4.320 -0.001 0.000 0.289 508 K C -1.611 175.075 176.600 0.144 0.000 1.028 508 K CA -1.049 55.261 56.287 0.039 0.000 0.895 508 K CB 1.158 33.525 32.500 -0.222 0.000 1.534 508 K HN 0.581 nan 8.250 nan 0.000 0.421 509 Y N -1.675 118.649 120.300 0.041 0.000 2.638 509 Y HA 0.620 5.170 4.550 -0.001 0.000 0.339 509 Y C -1.096 174.878 175.900 0.123 0.000 1.084 509 Y CA -1.062 57.073 58.100 0.059 0.000 1.068 509 Y CB 1.641 40.084 38.460 -0.028 0.000 1.294 509 Y HN 0.750 nan 8.280 nan 0.000 0.480 510 H N 1.951 121.175 119.070 0.257 0.000 2.877 510 H HA 0.549 5.105 4.556 -0.001 0.000 0.347 510 H C -2.367 173.099 175.328 0.229 0.000 1.042 510 H CA -1.049 55.092 56.048 0.154 0.000 1.276 510 H CB 1.572 31.378 29.762 0.073 0.000 1.681 510 H HN 0.879 nan 8.280 nan 0.000 0.521 511 L N 4.177 125.485 121.223 0.141 0.000 2.305 511 L HA 0.184 4.523 4.340 -0.001 0.000 0.284 511 L C 0.399 177.339 176.870 0.117 0.000 1.013 511 L CA -0.646 54.233 54.840 0.066 0.000 0.819 511 L CB 1.073 43.231 42.059 0.164 0.000 1.227 511 L HN 0.865 nan 8.230 nan 0.000 0.417 512 N N 3.173 121.923 118.700 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 1.115 54.240 53.050 0.125 0.000 0.696 512 N CB -0.766 37.783 38.487 0.103 0.000 0.979 512 N HN 1.059 nan 8.380 nan 0.000 0.550 513 G N 0.003 109.015 108.800 0.353 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 0.593 45.873 45.100 0.300 0.000 0.869 513 G HN 0.750 nan 8.290 nan 0.000 0.502 514 R N 0.399 121.066 120.500 0.278 0.000 2.507 514 R HA 0.280 4.619 4.340 -0.001 0.000 0.298 514 R C -1.116 175.295 176.300 0.185 0.000 1.087 514 R CA -0.835 55.383 56.100 0.197 0.000 0.917 514 R CB 0.792 31.194 30.300 0.169 0.000 1.173 514 R HN 0.133 nan 8.270 nan 0.000 0.472 515 D N 1.972 122.476 120.400 0.173 0.000 2.417 515 D HA 0.096 4.736 4.640 -0.001 0.000 0.250 515 D C -0.607 175.725 176.300 0.054 0.000 1.166 515 D CA 0.807 54.874 54.000 0.112 0.000 0.881 515 D CB 1.543 42.434 40.800 0.152 0.000 1.164 515 D HN 0.334 nan 8.370 nan 0.000 0.467 516 S N 1.634 117.157 115.700 -0.295 0.000 2.521 516 S HA 0.301 4.771 4.470 -0.001 0.000 0.295 516 S C -0.375 173.954 174.600 -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 64.572 63.200 -0.733 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 -0.241 176.573 176.870 -0.094 0.000 1.135 517 L CA 0.178 54.942 54.840 -0.127 0.000 0.870 517 L CB 0.531 42.535 42.059 -0.091 0.000 1.154 517 L HN 0.505 nan 8.230 nan 0.000 0.462 518 V N 6.866 126.793 119.914 0.022 0.000 2.054 518 V HA -0.003 4.117 4.120 -0.001 0.000 0.243 518 V C 1.368 177.556 176.094 0.156 0.000 1.480 518 V CA 0.119 62.515 62.300 0.159 0.000 1.440 518 V CB -0.956 30.983 31.823 0.195 0.000 1.489 518 V HN 0.914 nan 8.190 nan 0.000 0.502 519 N N 5.277 123.990 118.700 0.021 0.000 2.030 519 N HA -0.027 4.713 4.740 -0.001 0.000 0.194 519 N C -1.897 173.768 175.510 0.259 0.000 1.074 519 N CA 1.076 54.150 53.050 0.041 0.000 0.860 519 N CB -0.434 38.026 38.487 -0.046 0.000 1.055 519 N HN 0.357 nan 8.380 nan 0.000 0.429 520 P HA 0.277 nan 4.420 nan 0.000 0.291 520 P C -0.454 176.922 177.300 0.127 0.000 1.340 520 P CA -0.347 62.841 63.100 0.147 0.000 0.799 520 P CB 1.218 32.984 31.700 0.110 0.000 0.917 521 G N 4.838 113.719 108.800 0.135 0.000 2.509 521 G HA2 0.417 4.376 3.960 -0.001 0.000 0.269 521 G HA3 0.417 4.376 3.960 -0.001 0.000 0.269 521 G C -2.418 172.519 174.900 0.061 0.000 1.416 521 G CA -1.670 43.481 45.100 0.085 0.000 1.052 521 G HN 0.243 nan 8.290 nan 0.000 0.542 522 P HA 0.215 nan 4.420 nan 0.000 0.269 522 P C -0.153 177.171 177.300 0.040 0.000 1.205 522 P CA 0.161 63.259 63.100 -0.004 0.000 0.780 522 P CB 0.321 31.984 31.700 -0.061 0.000 0.858 523 A N 3.464 126.311 122.820 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 -1.036 18.044 19.000 0.134 0.000 1.077 523 A HN 0.427 nan 8.150 nan 0.000 0.513 524 M N 2.247 121.895 119.600 0.081 0.000 2.518 524 M HA 0.555 5.035 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 -0.434 54.910 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 0.678 nan 8.290 nan 0.000 0.453 525 A N 1.104 123.952 122.820 0.047 0.000 2.445 525 A HA 0.329 4.649 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 -0.173 51.875 52.037 0.018 0.000 0.777 525 A CB 0.220 19.204 19.000 -0.026 0.000 1.013 525 A HN 0.935 nan 8.150 nan 0.000 0.493 526 S N 0.462 116.183 115.700 0.035 0.000 2.395 526 S HA 0.039 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 1.282 59.568 58.200 0.143 0.000 0.965 526 S CB -0.261 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 0.249 119.383 119.070 0.107 0.000 3.037 527 H HA 0.499 5.054 4.556 -0.001 0.000 0.355 527 H C -1.213 174.160 175.328 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 0.088 nan 8.280 nan 0.000 0.546 528 K N 0.772 121.269 120.400 0.162 0.000 2.179 528 K HA 0.225 4.544 4.320 -0.001 0.000 0.238 528 K C -0.602 176.101 176.600 0.172 0.000 1.033 528 K CA -0.775 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 0.326 nan 8.250 nan 0.000 0.492 529 D N 1.269 121.729 120.400 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 0.939 55.006 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 0.568 nan 8.370 nan 0.000 0.446 530 D N 1.468 121.943 120.400 0.125 0.000 2.699 530 D HA -0.171 4.469 4.640 -0.001 0.000 0.239 530 D C 0.552 176.919 176.300 0.112 0.000 1.136 530 D CA 0.920 54.978 54.000 0.097 0.000 0.668 530 D CB -0.447 40.395 40.800 0.070 0.000 1.060 530 D HN 0.588 nan 8.370 nan 0.000 0.429 531 E N -0.721 119.556 120.200 0.129 0.000 3.470 531 E HA 0.091 4.441 4.350 -0.001 0.000 0.220 531 E C 0.645 177.203 176.600 -0.071 0.000 1.260 531 E CA -0.084 56.385 56.400 0.115 0.000 1.240 531 E CB 0.406 30.258 29.700 0.252 0.000 2.780 531 E HN 0.049 nan 8.360 nan 0.000 0.573 532 E N 0.758 120.714 120.200 -0.406 0.000 3.916 532 E HA -0.264 4.085 4.350 -0.001 0.000 0.331 532 E C 0.770 177.153 176.600 -0.361 0.000 0.729 532 E CA 1.786 57.716 56.400 -0.783 0.000 1.222 532 E CB -1.043 28.457 29.700 -0.333 0.000 1.633 532 E HN 0.318 nan 8.360 nan 0.000 0.437 533 K N -0.983 119.283 120.400 -0.223 0.000 2.399 533 K HA 0.176 4.496 4.320 -0.001 0.000 0.196 533 K C 0.133 176.593 176.600 -0.234 0.000 1.103 533 K CA 0.115 56.260 56.287 -0.236 0.000 0.986 533 K CB 0.263 32.555 32.500 -0.346 0.000 0.952 533 K HN 0.053 nan 8.250 nan 0.000 0.541 534 F N 3.005 122.967 119.950 0.019 0.000 2.404 534 F HA 0.314 4.840 4.527 -0.001 0.000 0.358 534 F C -0.171 175.705 175.800 0.126 0.000 1.120 534 F CA -1.337 56.686 58.000 0.038 0.000 1.144 534 F CB 0.673 39.679 39.000 0.010 0.000 1.133 534 F HN -0.000 nan 8.300 nan 0.000 0.495 535 F N 3.253 123.311 119.950 0.180 0.000 2.508 535 F HA 0.801 5.327 4.527 -0.001 0.000 0.325 535 F C -3.117 172.751 175.800 0.113 0.000 1.090 535 F CA -3.843 54.239 58.000 0.137 0.000 0.945 535 F CB 0.769 39.815 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 -0.270 176.989 177.300 -0.068 0.000 1.204 536 P CA -0.213 62.883 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 5.641 125.107 119.600 -0.223 0.000 2.734 537 M HA -0.072 4.408 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 -1.406 31.038 32.600 -0.260 0.000 2.102 537 M HN 0.604 nan 8.290 nan 0.000 0.463 538 H N 0.849 120.037 119.070 0.197 0.000 2.884 538 H HA -0.198 4.358 4.556 -0.001 0.000 0.289 538 H C 0.507 175.913 175.328 0.130 0.000 1.142 538 H CA 0.583 56.721 56.048 0.149 0.000 1.158 538 H CB -2.175 27.643 29.762 0.094 0.000 1.325 538 H HN 0.880 nan 8.280 nan 0.000 0.366 539 G N 0.918 109.754 108.800 0.061 0.000 3.155 539 G HA2 0.076 4.035 3.960 -0.001 0.000 0.213 539 G HA3 0.076 4.035 3.960 -0.001 0.000 0.213 539 G C 0.415 175.403 174.900 0.147 0.000 1.196 539 G CA 0.407 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 -1.617 173.912 175.510 0.031 0.000 1.452 540 N CA -0.871 52.245 53.050 0.110 0.000 0.882 540 N CB 0.941 39.497 38.487 0.116 0.000 1.425 540 N HN -0.189 nan 8.380 nan 0.000 0.517 541 L N 0.397 121.597 121.223 -0.037 0.000 2.371 541 L HA 0.521 4.861 4.340 -0.001 0.000 0.272 541 L C 0.016 176.646 176.870 -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 2.793 123.065 120.570 -0.498 0.000 2.499 542 I HA 0.357 4.527 4.170 -0.001 0.000 0.288 542 I C -0.999 174.807 176.117 -0.519 0.000 1.048 542 I CA -0.386 60.659 61.300 -0.425 0.000 1.062 542 I CB 1.474 39.338 38.000 -0.227 0.000 1.238 542 I HN 0.295 nan 8.210 nan 0.000 0.426 543 F N 2.918 122.820 119.950 -0.079 0.000 2.443 543 F HA 0.618 5.144 4.527 -0.001 0.000 0.335 543 F C 0.993 176.758 175.800 -0.058 0.000 1.104 543 F CA -0.736 57.233 58.000 -0.053 0.000 1.013 543 F CB 1.851 40.822 39.000 -0.048 0.000 1.136 543 F HN 0.409 nan 8.300 nan 0.000 0.470 544 G N 2.751 111.636 108.800 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 -0.504 174.418 174.900 0.036 0.000 1.172 544 G CA -0.716 44.417 45.100 0.055 0.000 0.854 544 G HN 0.559 nan 8.290 nan 0.000 0.485 545 K N 0.696 121.093 120.400 -0.004 0.000 2.285 545 K HA 0.031 4.351 4.320 -0.001 0.000 0.255 545 K C 0.307 176.882 176.600 -0.040 0.000 1.000 545 K CA -0.075 56.188 56.287 -0.040 0.000 0.887 545 K CB 0.548 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 0.536 120.694 120.200 -0.069 0.000 2.351 546 E HA 0.099 4.449 4.350 -0.001 0.000 0.266 546 E C -0.294 176.280 176.600 -0.043 0.000 1.031 546 E CA 0.976 57.340 56.400 -0.058 0.000 0.911 546 E CB 0.115 29.760 29.700 -0.093 0.000 0.986 546 E HN 0.630 nan 8.360 nan 0.000 0.446 547 G N 3.685 112.471 108.800 -0.023 0.000 2.694 547 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.247 547 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.247 547 G C -0.409 174.479 174.900 -0.020 0.000 0.989 547 G CA 0.094 45.183 45.100 -0.019 0.000 1.252 547 G HN 0.629 nan 8.290 nan 0.000 0.483 548 T N 1.403 115.950 114.554 -0.012 0.000 3.578 548 T HA 0.459 4.809 4.350 -0.001 0.000 0.343 548 T C 0.349 175.044 174.700 -0.009 0.000 1.126 548 T CA -0.089 62.003 62.100 -0.014 0.000 1.092 548 T CB 1.177 70.035 68.868 -0.017 0.000 1.160 548 T HN 0.795 nan 8.240 nan 0.000 0.469 549 T N 2.509 117.056 114.554 -0.011 0.000 2.939 549 T HA 0.167 4.517 4.350 -0.001 0.000 0.312 549 T C 1.630 176.324 174.700 -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 69.334 68.868 -0.012 0.000 1.035 549 T HN 0.768 nan 8.240 nan 0.000 0.538 550 A N 2.514 125.329 122.820 -0.008 0.000 2.206 550 A HA 0.219 4.539 4.320 -0.001 0.000 0.211 550 A C 1.426 178.999 177.584 -0.018 0.000 1.158 550 A CA 0.262 52.292 52.037 -0.011 0.000 0.761 550 A CB 0.163 19.159 19.000 -0.007 0.000 0.801 550 A HN 0.608 nan 8.150 nan 0.000 0.473 551 S N 0.145 115.834 115.700 -0.018 0.000 2.530 551 S HA 0.417 4.887 4.470 -0.001 0.000 0.322 551 S C -0.462 174.126 174.600 -0.020 0.000 1.085 551 S CA -0.702 57.485 58.200 -0.022 0.000 1.096 551 S CB -0.305 62.882 63.200 -0.022 0.000 0.988 551 S HN 0.539 nan 8.310 nan 0.000 0.466 552 N N 2.264 120.951 118.700 -0.022 0.000 2.620 552 N HA -0.202 4.537 4.740 -0.001 0.000 0.293 552 N C -0.499 175.001 175.510 -0.017 0.000 1.178 552 N CA 0.661 53.700 53.050 -0.018 0.000 0.750 552 N CB -0.421 38.056 38.487 -0.017 0.000 0.949 552 N HN 0.670 nan 8.380 nan 0.000 0.555 553 A N 1.209 124.018 122.820 -0.018 0.000 2.306 553 A HA 0.577 4.897 4.320 -0.001 0.000 0.330 553 A C 0.323 177.895 177.584 -0.020 0.000 1.146 553 A CA -0.546 51.479 52.037 -0.019 0.000 0.827 553 A CB 1.026 20.013 19.000 -0.021 0.000 1.178 553 A HN 0.496 nan 8.150 nan 0.000 0.490 554 E N 0.124 120.312 120.200 -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 30.262 29.700 -0.019 0.000 0.971 554 E HN 0.554 nan 8.360 nan 0.000 0.438 555 L N 2.438 123.644 121.223 -0.027 0.000 2.265 555 L HA -0.105 4.234 4.340 -0.001 0.000 0.215 555 L C 0.762 177.600 176.870 -0.053 0.000 1.117 555 L CA 1.798 56.611 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 -0.704 119.671 120.400 -0.041 0.000 2.349 556 D HA -0.038 4.602 4.640 -0.001 0.000 0.224 556 D C 0.919 177.191 176.300 -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 0.237 175.722 175.510 -0.041 0.000 1.128 557 N CA 0.068 53.093 53.050 -0.041 0.000 0.867 557 N CB 1.609 40.076 38.487 -0.033 0.000 0.996 557 N HN 0.097 nan 8.380 nan 0.000 0.503 558 V N -2.119 117.765 119.914 -0.051 0.000 3.113 558 V HA 0.661 4.780 4.120 -0.001 0.000 0.316 558 V C -0.374 175.685 176.094 -0.058 0.000 1.125 558 V CA -0.979 61.290 62.300 -0.051 0.000 1.026 558 V CB 2.447 34.227 31.823 -0.072 0.000 1.080 558 V HN -0.185 nan 8.190 nan 0.000 0.444 559 M N 2.841 122.421 119.600 -0.032 0.000 2.085 559 M HA 0.585 5.065 4.480 -0.001 0.000 0.309 559 M C -1.018 175.248 176.300 -0.055 0.000 0.947 559 M CA -0.135 55.153 55.300 -0.021 0.000 0.918 559 M CB 1.674 34.300 32.600 0.043 0.000 1.504 559 M HN 0.553 nan 8.290 nan 0.000 0.420 560 I N 2.356 122.853 120.570 -0.121 0.000 2.428 560 I HA 0.369 4.539 4.170 -0.001 0.000 0.296 560 I C 0.588 176.642 176.117 -0.104 0.000 0.985 560 I CA -0.680 60.513 61.300 -0.179 0.000 1.260 560 I CB 1.798 39.598 38.000 -0.333 0.000 1.389 560 I HN 0.605 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 -0.553 174.182 174.700 0.059 0.000 0.963 561 T CA -0.848 61.202 62.100 -0.085 0.000 1.019 561 T CB 1.465 70.165 68.868 -0.281 0.000 0.923 561 T HN 0.372 nan 8.240 nan 0.000 0.468 562 D N 2.168 122.647 120.400 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 0.931 41.869 40.800 0.230 0.000 1.100 562 D HN 0.454 nan 8.370 nan 0.000 0.477 563 E N 3.264 123.567 120.200 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 0.328 30.111 29.700 0.139 0.000 1.408 563 E HN 0.651 nan 8.360 nan 0.000 0.464 564 E N -0.355 119.847 120.200 0.003 0.000 2.501 564 E HA 0.099 4.448 4.350 -0.001 0.000 0.200 564 E C 0.301 176.868 176.600 -0.054 0.000 1.016 564 E CA 0.035 56.377 56.400 -0.097 0.000 0.921 564 E CB 0.297 29.904 29.700 -0.156 0.000 1.034 564 E HN -0.002 nan 8.360 nan 0.000 0.468 565 E N 1.082 121.262 120.200 -0.032 0.000 2.340 565 E HA 0.082 4.432 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 0.412 56.781 56.400 -0.052 0.000 0.869 565 E CB 0.114 29.765 29.700 -0.082 0.000 0.835 565 E HN 0.533 nan 8.360 nan 0.000 0.493 566 I N -1.891 118.664 120.570 -0.024 0.000 3.855 566 I HA 0.249 4.418 4.170 -0.001 0.000 0.327 566 I C 1.037 177.165 176.117 0.019 0.000 1.359 566 I CA -0.125 61.178 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 -0.128 nan 8.210 nan 0.000 0.403 567 R N 1.492 121.989 120.500 -0.006 0.000 2.249 567 R HA -0.093 4.247 4.340 -0.001 0.000 0.230 567 R C 1.996 178.299 176.300 0.005 0.000 1.121 567 R CA 1.911 58.003 56.100 -0.013 0.000 0.997 567 R CB -0.364 29.915 30.300 -0.035 0.000 0.867 567 R HN 0.655 nan 8.270 nan 0.000 0.465 568 T N -3.821 110.748 114.554 0.024 0.000 3.057 568 T HA 0.017 4.367 4.350 -0.001 0.000 0.254 568 T C 1.681 176.387 174.700 0.009 0.000 1.094 568 T CA 0.939 63.051 62.100 0.020 0.000 1.088 568 T CB 0.379 69.271 68.868 0.041 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 0.250 569 T C 0.323 175.078 174.700 0.093 0.000 0.982 569 T CA -0.474 61.654 62.100 0.047 0.000 0.959 569 T CB -0.252 68.650 68.868 0.057 0.000 1.141 569 T HN 0.339 nan 8.240 nan 0.000 0.494 570 N N 2.183 120.932 118.700 0.082 0.000 2.319 570 N HA 0.608 5.348 4.740 -0.001 0.000 0.305 570 N C -3.103 172.439 175.510 0.054 0.000 1.103 570 N CA -1.898 51.207 53.050 0.092 0.000 0.815 570 N CB 1.779 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 0.055 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 -0.385 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 62.750 62.300 0.019 0.000 1.038 572 V CB 0.233 32.059 31.823 0.004 0.000 0.980 572 V HN 0.710 nan 8.190 nan 0.000 0.481 573 A N 3.797 126.642 122.820 0.043 0.000 1.902 573 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 573 A C 2.222 179.815 177.584 0.016 0.000 1.181 573 A CA 2.323 54.386 52.037 0.044 0.000 0.623 573 A CB -0.710 18.325 19.000 0.058 0.000 0.818 573 A HN 1.007 nan 8.150 nan 0.000 0.443 574 T N -2.562 111.995 114.554 0.005 0.000 3.014 574 T HA 0.067 4.417 4.350 -0.001 0.000 0.263 574 T C 0.765 175.439 174.700 -0.044 0.000 1.078 574 T CA 0.430 62.513 62.100 -0.029 0.000 1.135 574 T CB -0.162 68.682 68.868 -0.040 0.000 0.895 574 T HN 0.379 nan 8.240 nan 0.000 0.480 575 E N 2.392 122.573 120.200 -0.031 0.000 2.376 575 E HA 0.211 4.560 4.350 -0.001 0.000 0.254 575 E C 0.559 177.148 176.600 -0.019 0.000 1.213 575 E CA -0.321 56.056 56.400 -0.038 0.000 0.945 575 E CB 0.476 30.155 29.700 -0.036 0.000 1.057 575 E HN 0.758 nan 8.360 nan 0.000 0.479 576 Q N -0.331 119.457 119.800 -0.020 0.000 2.700 576 Q HA -0.014 4.326 4.340 -0.001 0.000 0.191 576 Q C 0.655 176.691 176.000 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 -0.004 0.000 1.250 576 Q HN 0.622 nan 8.270 nan 0.000 0.670 577 Y N -1.291 118.984 120.300 -0.041 0.000 2.351 577 Y HA 0.412 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 1.152 59.233 58.100 -0.030 0.000 1.193 577 Y CB 0.833 39.274 38.460 -0.032 0.000 1.187 577 Y HN 0.802 nan 8.280 nan 0.000 0.524 578 G N -1.192 107.637 108.800 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 -0.364 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 0.176 114.746 114.554 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 1.660 70.527 68.868 -0.001 0.000 0.981 579 T HN 0.616 nan 8.240 nan 0.000 0.439 580 V N 2.164 122.096 119.914 0.031 0.000 2.680 580 V HA 0.851 4.971 4.120 -0.001 0.000 0.309 580 V C 0.348 176.451 176.094 0.016 0.000 1.052 580 V CA -1.203 61.114 62.300 0.028 0.000 0.908 580 V CB 1.729 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 0.677 4.996 4.320 -0.001 0.000 0.269 581 A C 0.424 178.013 177.584 0.008 0.000 1.094 581 A CA -0.380 51.664 52.037 0.011 0.000 0.807 581 A CB 0.180 19.187 19.000 0.013 0.000 1.047 581 A HN 1.061 nan 8.150 nan 0.000 0.487 582 N N 1.133 119.836 118.700 0.005 0.000 2.604 582 N HA 0.122 4.861 4.740 -0.001 0.000 0.284 582 N C -1.200 174.311 175.510 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 0.740 nan 8.380 nan 0.000 0.501 583 N N -0.207 118.495 118.700 0.004 0.000 3.355 583 N HA 0.202 4.942 4.740 -0.001 0.000 0.238 583 N C -1.729 173.784 175.510 0.006 0.000 1.466 583 N CA -0.583 52.469 53.050 0.004 0.000 0.882 583 N CB 0.720 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 1.406 122.633 121.223 0.005 0.000 2.417 584 L HA 0.273 4.613 4.340 -0.001 0.000 0.258 584 L C 0.119 176.992 176.870 0.006 0.000 1.088 584 L CA -0.851 53.993 54.840 0.007 0.000 0.975 584 L CB 0.509 42.572 42.059 0.007 0.000 1.341 584 L HN 0.601 nan 8.230 nan 0.000 0.431 585 Q N 2.013 121.817 119.800 0.006 0.000 2.349 585 Q HA 0.407 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 55.802 55.803 0.004 0.000 0.918 585 Q CB 1.138 29.879 28.738 0.004 0.000 1.242 585 Q HN 0.558 nan 8.270 nan 0.000 0.405 586 S N 0.469 116.170 115.700 0.002 0.000 2.757 586 S HA 0.429 4.898 4.470 -0.001 0.000 0.285 586 S C 0.447 175.047 174.600 -0.000 0.000 1.196 586 S CA -0.308 57.893 58.200 0.002 0.000 0.856 586 S CB 0.324 63.525 63.200 0.003 0.000 1.212 586 S HN 0.858 nan 8.310 nan 0.000 0.516 587 S N 1.227 116.926 115.700 -0.001 0.000 2.399 587 S HA -0.091 4.378 4.470 -0.001 0.000 0.231 587 S C 1.254 175.853 174.600 -0.002 0.000 1.022 587 S CA 1.108 59.307 58.200 -0.002 0.000 0.983 587 S CB -0.874 62.324 63.200 -0.002 0.000 0.803 587 S HN 0.646 nan 8.310 nan 0.000 0.480 588 N N 1.538 120.237 118.700 -0.001 0.000 2.300 588 N HA 0.043 4.783 4.740 -0.001 0.000 0.179 588 N C -0.052 175.457 175.510 -0.002 0.000 1.016 588 N CA 0.927 53.976 53.050 -0.001 0.000 0.876 588 N CB -0.137 38.349 38.487 -0.001 0.000 0.979 588 N HN 0.424 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 4.965 4.350 -0.001 0.000 0.279 589 T C -0.342 174.357 174.700 -0.002 0.000 0.993 589 T CA -0.807 61.292 62.100 -0.001 0.000 0.970 589 T CB 2.416 71.284 68.868 -0.000 0.000 0.950 589 T HN 0.104 nan 8.240 nan 0.000 0.441 590 A N 4.944 127.762 122.820 -0.003 0.000 2.328 590 A HA 0.623 4.943 4.320 -0.001 0.000 0.284 590 A C -2.156 175.426 177.584 -0.002 0.000 1.160 590 A CA -1.661 50.374 52.037 -0.003 0.000 0.818 590 A CB -0.261 18.736 19.000 -0.004 0.000 1.087 590 A HN 0.578 nan 8.150 nan 0.000 0.504 591 P HA 0.077 nan 4.420 nan 0.000 0.261 591 P C -0.319 176.981 177.300 -0.001 0.000 1.183 591 P CA 0.555 63.655 63.100 -0.000 0.000 0.761 591 P CB 0.274 31.974 31.700 0.001 0.000 0.785 592 T N 2.564 117.118 114.554 -0.001 0.000 2.867 592 T HA 0.408 4.758 4.350 -0.001 0.000 0.282 592 T C 0.177 174.876 174.700 -0.001 0.000 1.000 592 T CA -0.223 61.876 62.100 -0.002 0.000 1.042 592 T CB 0.957 69.823 68.868 -0.003 0.000 0.973 592 T HN 0.235 nan 8.240 nan 0.000 0.465 593 T N 3.359 117.911 114.554 -0.004 0.000 2.824 593 T HA 0.528 4.877 4.350 -0.001 0.000 0.282 593 T C -0.467 174.230 174.700 -0.005 0.000 0.993 593 T CA -0.761 61.337 62.100 -0.003 0.000 0.967 593 T CB 1.115 69.980 68.868 -0.005 0.000 0.960 593 T HN 0.281 nan 8.240 nan 0.000 0.441 594 R N 2.289 122.788 120.500 -0.002 0.000 2.480 594 R HA 0.389 4.729 4.340 -0.001 0.000 0.306 594 R C -0.839 175.462 176.300 0.001 0.000 0.958 594 R CA -0.473 55.624 56.100 -0.004 0.000 0.861 594 R CB 1.459 31.756 30.300 -0.004 0.000 1.171 594 R HN 0.601 nan 8.270 nan 0.000 0.445 595 T N 3.378 117.930 114.554 -0.005 0.000 2.779 595 T HA 0.067 4.416 4.350 -0.001 0.000 0.296 595 T C -0.172 174.532 174.700 0.006 0.000 0.938 595 T CA -0.033 62.067 62.100 0.000 0.000 1.119 595 T CB 0.648 69.509 68.868 -0.012 0.000 0.891 595 T HN 0.352 nan 8.240 nan 0.000 0.526 596 V N 5.843 125.779 119.914 0.036 0.000 2.408 596 V HA 0.272 4.392 4.120 -0.001 0.000 0.267 596 V C 0.603 176.717 176.094 0.033 0.000 1.047 596 V CA -0.344 61.976 62.300 0.034 0.000 0.937 596 V CB 0.459 32.328 31.823 0.075 0.000 0.999 596 V HN 0.833 nan 8.190 nan 0.000 0.472 597 N N 4.464 123.144 118.700 -0.034 0.000 2.254 597 N HA 0.149 4.889 4.740 -0.001 0.000 0.190 597 N C -0.418 175.014 175.510 -0.130 0.000 1.107 597 N CA 0.156 53.166 53.050 -0.067 0.000 0.869 597 N CB 0.613 39.039 38.487 -0.102 0.000 0.983 597 N HN 0.787 nan 8.380 nan 0.000 0.487 598 D N 0.648 120.961 120.400 -0.145 0.000 2.855 598 D HA 0.188 4.828 4.640 -0.001 0.000 0.241 598 D C -1.538 174.633 176.300 -0.216 0.000 1.277 598 D CA -0.351 53.543 54.000 -0.176 0.000 0.918 598 D CB 1.526 42.224 40.800 -0.170 0.000 1.462 598 D HN -0.255 nan 8.370 nan 0.000 0.559 599 Q N 2.584 122.205 119.800 -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 -1.019 0.000 1.247 599 Q HN 0.529 nan 8.270 nan 0.000 0.455 600 G N 1.995 110.659 108.800 -0.226 0.000 2.441 600 G HA2 0.490 4.449 3.960 -0.001 0.000 0.258 600 G HA3 0.490 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 44.923 45.100 -0.218 0.000 1.058 600 G HN 0.793 nan 8.290 nan 0.000 0.552 601 A N -1.268 121.405 122.820 -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 -0.190 0.000 0.822 601 A CB 0.788 19.594 19.000 -0.323 0.000 1.130 601 A HN 0.512 nan 8.150 nan 0.000 0.496 602 L N 2.101 123.351 121.223 0.046 0.000 2.422 602 L HA 0.413 4.753 4.340 -0.001 0.000 0.264 602 L C -2.534 174.433 176.870 0.163 0.000 0.984 602 L CA -2.017 52.877 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 0.680 178.103 177.300 0.204 0.000 1.199 603 P CA 0.679 63.884 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 2.480 111.446 108.800 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 0.224 175.362 174.900 0.397 0.000 0.997 604 G CA -0.529 44.803 45.100 0.388 0.000 0.640 604 G HN 0.437 nan 8.290 nan 0.000 0.496 605 M N 1.502 121.298 119.600 0.327 0.000 2.239 605 M HA 0.477 4.957 4.480 -0.001 0.000 0.348 605 M C 0.698 177.216 176.300 0.364 0.000 1.239 605 M CA 0.218 55.730 55.300 0.353 0.000 1.114 605 M CB 1.274 34.086 32.600 0.353 0.000 1.641 605 M HN 0.591 nan 8.290 nan 0.000 0.453 606 V N 1.208 121.303 119.914 0.302 0.000 2.962 606 V HA 0.949 5.069 4.120 -0.001 0.000 0.313 606 V C -1.534 174.742 176.094 0.302 0.000 1.099 606 V CA -0.652 61.711 62.300 0.105 0.000 0.971 606 V CB 1.862 33.582 31.823 -0.170 0.000 1.028 606 V HN 1.125 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 5.511 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 1.387 30.826 29.460 -0.036 0.000 1.467 607 W HN 0.784 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 -0.318 55.526 55.803 0.068 0.000 0.869 608 Q CB 1.722 30.466 28.738 0.009 0.000 1.346 608 Q HN 0.379 nan 8.270 nan 0.000 0.457 609 D N 0.126 120.583 120.400 0.096 0.000 2.440 609 D HA 0.365 5.005 4.640 -0.001 0.000 0.258 609 D C -0.462 175.906 176.300 0.114 0.000 1.092 609 D CA -0.514 53.587 54.000 0.167 0.000 1.016 609 D CB 0.851 41.757 40.800 0.177 0.000 1.141 609 D HN 0.349 nan 8.370 nan 0.000 0.552 610 R N 0.564 121.155 120.500 0.151 0.000 2.679 610 R HA 0.076 4.415 4.340 -0.001 0.000 0.268 610 R C -0.132 176.259 176.300 0.153 0.000 1.044 610 R CA 0.072 56.261 56.100 0.149 0.000 1.105 610 R CB 0.335 30.735 30.300 0.168 0.000 0.989 610 R HN 0.416 nan 8.270 nan 0.000 0.447 611 D N 0.451 120.905 120.400 0.090 0.000 2.371 611 D HA 0.171 4.811 4.640 -0.001 0.000 0.242 611 D C -0.639 175.498 176.300 -0.272 0.000 1.218 611 D CA -0.191 53.783 54.000 -0.042 0.000 0.945 611 D CB 0.937 41.599 40.800 -0.231 0.000 1.137 611 D HN 0.196 nan 8.370 nan 0.000 0.464 612 V N -0.414 119.228 119.914 -0.453 0.000 2.715 612 V HA 0.616 4.735 4.120 -0.001 0.000 0.310 612 V C -1.145 174.667 176.094 -0.471 0.000 1.054 612 V CA -0.728 61.341 62.300 -0.385 0.000 0.928 612 V CB 1.100 32.690 31.823 -0.388 0.000 1.007 612 V HN 0.456 nan 8.190 nan 0.000 0.437 613 Y N 2.331 122.698 120.300 0.113 0.000 2.509 613 Y HA 0.576 5.126 4.550 -0.001 0.000 0.341 613 Y C 0.814 176.473 175.900 -0.401 0.000 1.038 613 Y CA -0.908 57.197 58.100 0.008 0.000 1.089 613 Y CB 1.791 40.312 38.460 0.100 0.000 1.241 613 Y HN 0.627 nan 8.280 nan 0.000 0.468 614 L N 1.600 122.370 121.223 -0.756 0.000 2.151 614 L HA -0.253 4.087 4.340 -0.001 0.000 0.215 614 L C 1.722 178.338 176.870 -0.425 0.000 1.084 614 L CA 2.071 56.094 54.840 -1.361 0.000 0.764 614 L CB -0.394 40.935 42.059 -1.217 0.000 0.891 614 L HN 0.821 nan 8.230 nan 0.000 0.435 615 Q N -1.210 118.465 119.800 -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 0.021 0.000 0.837 615 Q CA 0.348 56.168 55.803 0.027 0.000 1.032 615 Q CB -0.325 28.348 28.738 -0.109 0.000 1.137 615 Q HN 0.376 nan 8.270 nan 0.000 0.483 616 G N 2.047 110.984 108.800 0.228 0.000 2.522 616 G HA2 0.516 4.476 3.960 -0.001 0.000 0.304 616 G HA3 0.516 4.476 3.960 -0.001 0.000 0.304 616 G C -2.775 172.347 174.900 0.371 0.000 1.210 616 G CA -1.407 43.977 45.100 0.473 0.000 0.960 616 G HN 0.075 nan 8.290 nan 0.000 0.497 617 P HA 0.226 nan 4.420 nan 0.000 0.272 617 P C 0.457 177.803 177.300 0.076 0.000 1.223 617 P CA -0.236 62.908 63.100 0.074 0.000 0.784 617 P CB 1.129 32.868 31.700 0.065 0.000 0.923 618 I N -0.508 119.944 120.570 -0.196 0.000 2.726 618 I HA 0.167 4.337 4.170 -0.001 0.000 0.243 618 I C 0.727 177.081 176.117 0.395 0.000 1.082 618 I CA 0.634 61.885 61.300 -0.081 0.000 1.447 618 I CB -0.381 37.561 38.000 -0.098 0.000 1.250 618 I HN 0.436 nan 8.210 nan 0.000 0.453 619 W N 1.057 122.510 121.300 0.256 0.000 3.207 619 W HA 0.823 5.483 4.660 -0.001 0.000 0.326 619 W C -1.182 175.468 176.519 0.219 0.000 1.190 619 W CA -1.201 56.323 57.345 0.298 0.000 1.011 619 W CB 0.818 30.477 29.460 0.331 0.000 1.511 619 W HN -0.035 nan 8.180 nan 0.000 0.606 620 A N 1.332 124.447 122.820 0.491 0.000 2.555 620 A HA 0.466 4.785 4.320 -0.001 0.000 0.297 620 A C -1.415 176.342 177.584 0.287 0.000 1.060 620 A CA -1.117 51.120 52.037 0.334 0.000 0.710 620 A CB 1.394 20.505 19.000 0.185 0.000 1.282 620 A HN 0.724 nan 8.150 nan 0.000 0.399 621 K N 2.297 122.822 120.400 0.208 0.000 2.412 621 K HA 0.389 4.709 4.320 -0.001 0.000 0.281 621 K C -0.656 175.911 176.600 -0.055 0.000 1.027 621 K CA -0.050 56.181 56.287 -0.094 0.000 0.989 621 K CB 0.146 32.404 32.500 -0.405 0.000 0.935 621 K HN 0.578 nan 8.250 nan 0.000 0.475 622 I N 7.755 128.240 120.570 -0.142 0.000 2.379 622 I HA 0.114 4.284 4.170 -0.001 0.000 0.290 622 I C -1.860 174.177 176.117 -0.134 0.000 1.063 622 I CA -2.283 58.922 61.300 -0.157 0.000 1.351 622 I CB 0.933 38.760 38.000 -0.289 0.000 1.410 622 I HN 0.520 nan 8.210 nan 0.000 0.505 623 P HA -0.110 nan 4.420 nan 0.000 0.262 623 P C -0.514 176.861 177.300 0.124 0.000 1.182 623 P CA 0.181 63.319 63.100 0.064 0.000 0.761 623 P CB 0.193 31.954 31.700 0.102 0.000 0.795 624 H N 2.476 121.568 119.070 0.036 0.000 3.216 624 H HA 0.238 4.794 4.556 -0.001 0.000 0.263 624 H C 0.273 175.655 175.328 0.090 0.000 1.601 624 H CA 0.086 56.169 56.048 0.060 0.000 1.509 624 H CB -0.506 29.260 29.762 0.007 0.000 1.759 624 H HN 0.333 nan 8.280 nan 0.000 0.533 625 T N -0.464 114.105 114.554 0.024 0.000 2.905 625 T HA 0.151 4.501 4.350 -0.001 0.000 0.283 625 T C 0.930 175.490 174.700 -0.234 0.000 1.031 625 T CA -0.938 61.128 62.100 -0.057 0.000 1.002 625 T CB 1.294 70.141 68.868 -0.035 0.000 1.200 625 T HN 0.229 nan 8.240 nan 0.000 0.560 626 D N 0.458 120.748 120.400 -0.183 0.000 2.224 626 D HA 0.192 4.832 4.640 -0.001 0.000 0.205 626 D C 0.919 177.034 176.300 -0.307 0.000 0.965 626 D CA 1.094 54.980 54.000 -0.191 0.000 0.852 626 D CB -0.221 40.521 40.800 -0.097 0.000 0.947 626 D HN 0.812 nan 8.370 nan 0.000 0.494 627 G N -0.719 107.831 108.800 -0.416 0.000 2.682 627 G HA2 0.536 4.496 3.960 -0.001 0.000 0.300 627 G HA3 0.536 4.496 3.960 -0.001 0.000 0.300 627 G C -1.107 173.448 174.900 -0.575 0.000 1.391 627 G CA -0.608 44.237 45.100 -0.425 0.000 0.990 627 G HN 0.021 nan 8.290 nan 0.000 0.501 628 H N 0.972 120.065 119.070 0.039 0.000 2.949 628 H HA 0.553 5.108 4.556 -0.001 0.000 0.356 628 H C -0.677 174.753 175.328 0.170 0.000 1.212 628 H CA -0.651 55.440 56.048 0.071 0.000 1.136 628 H CB 2.362 32.138 29.762 0.023 0.000 1.869 628 H HN 0.418 nan 8.280 nan 0.000 0.556 629 F N 0.102 120.155 119.950 0.172 0.000 2.376 629 F HA 0.174 4.701 4.527 -0.001 0.000 0.234 629 F C 0.507 176.451 175.800 0.239 0.000 1.010 629 F CA 0.375 58.475 58.000 0.166 0.000 1.100 629 F CB 0.438 39.512 39.000 0.123 0.000 1.360 629 F HN 0.474 nan 8.300 nan 0.000 0.649 630 H N 2.172 121.261 119.070 0.032 0.000 2.643 630 H HA 0.314 4.869 4.556 -0.001 0.000 0.259 630 H C -2.126 173.264 175.328 0.103 0.000 1.298 630 H CA -1.882 54.159 56.048 -0.011 0.000 1.301 630 H CB 0.769 30.638 29.762 0.179 0.000 1.422 630 H HN 0.081 nan 8.280 nan 0.000 0.521 631 P HA -0.055 nan 4.420 nan 0.000 0.279 631 P C 0.101 177.395 177.300 -0.009 0.000 1.451 631 P CA 0.285 63.364 63.100 -0.035 0.000 0.783 631 P CB -0.230 31.382 31.700 -0.146 0.000 1.490 632 S N 1.556 117.287 115.700 0.052 0.000 2.474 632 S HA 0.321 4.791 4.470 -0.001 0.000 0.276 632 S C -2.287 172.392 174.600 0.132 0.000 1.227 632 S CA -1.702 56.561 58.200 0.105 0.000 1.050 632 S CB -0.188 63.128 63.200 0.194 0.000 0.939 632 S HN -0.056 nan 8.310 nan 0.000 0.490 633 P HA 0.030 nan 4.420 nan 0.000 0.262 633 P C 0.595 177.968 177.300 0.121 0.000 1.182 633 P CA 0.129 63.298 63.100 0.116 0.000 0.761 633 P CB 0.337 32.113 31.700 0.126 0.000 0.795 634 L N 2.247 123.536 121.223 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 56.270 54.840 0.111 0.000 0.775 634 L CB -0.474 41.638 42.059 0.087 0.000 0.913 634 L HN 0.472 nan 8.230 nan 0.000 0.440 635 M N -0.519 119.146 119.600 0.109 0.000 2.659 635 M HA 0.152 4.631 4.480 -0.001 0.000 0.243 635 M C 0.812 177.204 176.300 0.153 0.000 1.111 635 M CA 0.492 55.863 55.300 0.118 0.000 1.070 635 M CB -0.191 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 -0.201 108.682 108.800 0.139 0.000 2.619 636 G HA2 0.278 4.237 3.960 -0.001 0.000 0.686 636 G HA3 0.278 4.237 3.960 -0.001 0.000 0.686 636 G C -0.274 174.685 174.900 0.098 0.000 1.256 636 G CA -0.575 44.601 45.100 0.125 0.000 0.826 636 G HN 0.777 nan 8.290 nan 0.000 0.619 637 G N -1.027 107.767 108.800 -0.009 0.000 2.428 637 G HA2 0.389 4.349 3.960 -0.001 0.000 0.202 637 G HA3 0.389 4.349 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 -0.107 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 1.099 177.036 175.800 0.228 0.000 1.123 638 F CA 0.168 58.303 58.000 0.226 0.000 1.044 638 F CB 2.068 41.213 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 4.571 3.960 -0.001 0.000 0.300 639 G HA3 0.611 4.571 3.960 -0.001 0.000 0.300 639 G C -1.018 173.954 174.900 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 2.929 124.204 121.223 0.087 0.000 2.362 640 L HA 0.372 4.712 4.340 -0.001 0.000 0.275 640 L C 1.072 177.839 176.870 -0.171 0.000 0.998 640 L CA -1.115 53.725 54.840 0.001 0.000 0.820 640 L CB 2.335 44.421 42.059 0.046 0.000 1.270 640 L HN 0.434 nan 8.230 nan 0.000 0.415 641 K N 0.924 121.183 120.400 -0.235 0.000 2.057 641 K HA -0.031 4.289 4.320 -0.001 0.000 0.207 641 K C 0.281 176.383 176.600 -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 0.267 119.169 119.070 -0.281 0.000 2.569 642 H HA 0.297 4.853 4.556 -0.001 0.000 0.247 642 H C -2.456 172.796 175.328 -0.126 0.000 1.346 642 H CA -2.122 53.702 56.048 -0.373 0.000 1.502 642 H CB 1.169 30.886 29.762 -0.074 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 -2.599 174.441 177.300 -0.434 0.000 1.261 643 P CA -1.877 61.047 63.100 -0.293 0.000 0.800 643 P CB 0.024 31.562 31.700 -0.270 0.000 1.066 644 P HA 0.023 nan 4.420 nan 0.000 0.258 644 P C -2.100 175.030 177.300 -0.285 0.000 1.172 644 P CA -0.270 62.109 63.100 -1.202 0.000 0.762 644 P CB -1.123 29.907 31.700 -1.116 0.000 0.764 645 P HA 0.031 nan 4.420 nan 0.000 0.272 645 P C -0.486 176.734 177.300 -0.134 0.000 1.240 645 P CA -0.037 63.015 63.100 -0.079 0.000 0.791 645 P CB 0.718 32.271 31.700 -0.244 0.000 0.978 646 Q N 0.633 120.331 119.800 -0.170 0.000 2.286 646 Q HA 0.331 4.670 4.340 -0.001 0.000 0.257 646 Q C -0.453 175.239 176.000 -0.514 0.000 0.941 646 Q CA -0.281 55.328 55.803 -0.322 0.000 0.912 646 Q CB 0.214 28.709 28.738 -0.406 0.000 1.192 646 Q HN 0.329 nan 8.270 nan 0.000 0.410 647 I N 3.041 123.342 120.570 -0.448 0.000 2.337 647 I HA 0.184 4.354 4.170 -0.001 0.000 0.285 647 I C -0.507 175.377 176.117 -0.387 0.000 1.041 647 I CA -0.209 60.774 61.300 -0.528 0.000 1.199 647 I CB 0.613 38.256 38.000 -0.595 0.000 1.370 647 I HN 0.479 nan 8.210 nan 0.000 0.470 648 M N 6.583 125.758 119.600 -0.709 0.000 2.250 648 M HA 0.550 5.030 4.480 -0.001 0.000 0.344 648 M C -0.646 175.638 176.300 -0.028 0.000 1.150 648 M CA -0.246 54.772 55.300 -0.469 0.000 1.147 648 M CB 1.201 33.170 32.600 -1.052 0.000 1.498 648 M HN 0.508 nan 8.290 nan 0.000 0.461 649 I N 3.114 123.834 120.570 0.249 0.000 2.722 649 I HA 0.683 4.853 4.170 -0.001 0.000 0.292 649 I C -1.831 174.285 176.117 -0.002 0.000 1.267 649 I CA -0.293 61.086 61.300 0.132 0.000 1.036 649 I CB 1.638 39.627 38.000 -0.019 0.000 1.281 649 I HN 0.679 nan 8.210 nan 0.000 0.423 650 K N 3.964 124.216 120.400 -0.246 0.000 2.578 650 K HA 0.558 4.877 4.320 -0.001 0.000 0.269 650 K C -1.906 174.519 176.600 -0.292 0.000 0.941 650 K CA -0.667 55.372 56.287 -0.415 0.000 0.847 650 K CB 0.703 32.580 32.500 -1.038 0.000 1.397 650 K HN 0.347 nan 8.250 nan 0.000 0.422 651 N N 1.303 119.906 118.700 -0.161 0.000 2.475 651 N HA 0.155 4.895 4.740 -0.001 0.000 0.267 651 N C -0.742 174.683 175.510 -0.141 0.000 1.169 651 N CA -0.214 52.786 53.050 -0.085 0.000 0.947 651 N CB 0.916 39.404 38.487 0.001 0.000 1.061 651 N HN 0.682 nan 8.380 nan 0.000 0.466 652 T N 3.657 118.128 114.554 -0.139 0.000 2.888 652 T HA 0.147 4.496 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 -0.696 61.293 62.100 -0.184 0.000 1.147 652 T CB 0.295 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 0.153 nan 4.420 nan 0.000 0.263 653 P C -0.920 176.206 177.300 -0.290 0.000 1.195 653 P CA -0.133 62.464 63.100 -0.840 0.000 0.762 653 P CB 0.345 31.436 31.700 -1.015 0.000 0.799 654 V N 7.061 126.924 119.914 -0.085 0.000 2.304 654 V HA 0.265 4.385 4.120 -0.001 0.000 0.278 654 V C -2.107 174.159 176.094 0.286 0.000 1.018 654 V CA -2.101 60.249 62.300 0.084 0.000 0.814 654 V CB 1.349 33.207 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 0.004 177.362 177.300 0.098 0.000 1.195 655 P CA 0.416 63.515 63.100 -0.002 0.000 0.768 655 P CB 0.772 32.169 31.700 -0.506 0.000 0.838 656 A N 3.117 126.041 122.820 0.174 0.000 2.450 656 A HA 0.251 4.570 4.320 -0.001 0.000 0.281 656 A C 0.105 177.786 177.584 0.161 0.000 1.372 656 A CA -0.667 51.457 52.037 0.145 0.000 0.886 656 A CB -0.333 18.736 19.000 0.116 0.000 1.462 656 A HN 0.591 nan 8.150 nan 0.000 0.514 657 N N 1.063 119.823 118.700 0.101 0.000 2.315 657 N HA 0.165 4.904 4.740 -0.001 0.000 0.270 657 N C -2.435 173.136 175.510 0.102 0.000 1.329 657 N CA -0.433 52.668 53.050 0.084 0.000 0.860 657 N CB 0.075 38.588 38.487 0.043 0.000 1.095 657 N HN 0.333 nan 8.380 nan 0.000 0.487 658 P HA 0.346 nan 4.420 nan 0.000 0.287 658 P C -2.540 174.796 177.300 0.060 0.000 1.270 658 P CA -1.312 61.876 63.100 0.146 0.000 0.844 658 P CB 0.413 32.250 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 63.048 63.100 0.007 0.000 0.781 659 P CB 0.214 31.894 31.700 -0.033 0.000 0.906 660 T N -0.670 113.905 114.554 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 1.308 63.437 62.100 0.047 0.000 1.116 660 T CB -0.193 68.695 68.868 0.033 0.000 0.878 660 T HN 0.476 nan 8.240 nan 0.000 0.509 661 T N 0.982 115.569 114.554 0.056 0.000 2.867 661 T HA 0.474 4.824 4.350 -0.001 0.000 0.282 661 T C -0.906 173.863 174.700 0.115 0.000 1.000 661 T CA -0.969 61.177 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 4.628 124.584 119.950 0.011 0.000 2.506 662 F HA 0.488 5.015 4.527 -0.001 0.000 0.371 662 F C 0.299 176.105 175.800 0.010 0.000 1.078 662 F CA -0.316 57.695 58.000 0.018 0.000 1.195 662 F CB 0.351 39.364 39.000 0.022 0.000 1.099 662 F HN 0.399 nan 8.300 nan 0.000 0.548 663 S N 7.584 122.894 115.700 -0.649 0.000 2.498 663 S HA 0.503 4.973 4.470 -0.001 0.000 0.317 663 S C -1.683 172.411 174.600 -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 0.294 177.494 177.300 -0.166 0.000 1.153 664 P CA 0.256 63.116 63.100 -0.400 0.000 0.798 664 P CB -0.110 31.464 31.700 -0.211 0.000 0.796 665 A N 0.872 123.587 122.820 -0.175 0.000 2.586 665 A HA -0.065 4.255 4.320 -0.001 0.000 0.231 665 A C 0.619 178.173 177.584 -0.051 0.000 1.055 665 A CA -0.025 51.951 52.037 -0.101 0.000 0.756 665 A CB -0.418 18.507 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 0.012 4.332 4.320 -0.001 0.000 0.279 666 K C -0.731 175.903 176.600 0.056 0.000 0.993 666 K CA 0.256 56.587 56.287 0.073 0.000 1.030 666 K CB 0.041 32.595 32.500 0.091 0.000 0.891 666 K HN 0.485 nan 8.250 nan 0.000 0.488 667 F N 3.019 122.973 119.950 0.007 0.000 2.467 667 F HA 0.215 4.742 4.527 -0.001 0.000 0.362 667 F C 0.706 176.432 175.800 -0.123 0.000 1.090 667 F CA 0.605 58.550 58.000 -0.092 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 3.034 125.721 122.820 -0.221 0.000 2.474 668 A HA 0.156 4.475 4.320 -0.001 0.000 0.221 668 A C 0.512 177.983 177.584 -0.189 0.000 1.298 668 A CA 0.081 52.078 52.037 -0.066 0.000 1.008 668 A CB -0.073 18.916 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 0.640 5.109 4.470 -0.001 0.000 0.304 669 S C -0.975 173.511 174.600 -0.190 0.000 1.098 669 S CA -0.251 57.821 58.200 -0.213 0.000 1.068 669 S CB -0.620 62.449 63.200 -0.219 0.000 1.032 669 S HN 0.201 nan 8.310 nan 0.000 0.511 670 F N 3.364 123.451 119.950 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 0.148 0.000 1.058 670 F CA -1.194 56.931 58.000 0.210 0.000 0.944 670 F CB 1.306 40.459 39.000 0.257 0.000 1.245 670 F HN 0.295 nan 8.300 nan 0.000 0.477 671 I N 1.791 122.567 120.570 0.343 0.000 2.416 671 I HA 0.117 4.287 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 -0.392 61.034 61.300 0.209 0.000 1.375 671 I CB 0.922 39.011 38.000 0.149 0.000 1.407 671 I HN 0.593 nan 8.210 nan 0.000 0.516 672 T N 4.399 119.042 114.554 0.149 0.000 2.834 672 T HA 0.406 4.756 4.350 -0.001 0.000 0.298 672 T C -0.367 174.400 174.700 0.111 0.000 0.966 672 T CA -0.601 61.568 62.100 0.114 0.000 1.141 672 T CB 0.908 69.821 68.868 0.074 0.000 0.905 672 T HN 0.745 nan 8.240 nan 0.000 0.535 673 Q N 2.053 121.920 119.800 0.112 0.000 2.527 673 Q HA 0.540 4.879 4.340 -0.001 0.000 0.280 673 Q C -1.709 174.381 176.000 0.150 0.000 0.977 673 Q CA -1.346 54.531 55.803 0.124 0.000 0.837 673 Q CB 1.233 30.003 28.738 0.053 0.000 1.454 673 Q HN 0.868 nan 8.270 nan 0.000 0.387 674 Y N -1.020 119.261 120.300 -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 57.356 58.100 -0.042 0.000 1.098 674 Y CB 1.979 40.397 38.460 -0.071 0.000 1.296 674 Y HN 0.872 nan 8.280 nan 0.000 0.494 675 S N 0.342 116.023 115.700 -0.032 0.000 2.599 675 S HA 0.813 5.283 4.470 -0.001 0.000 0.294 675 S C -0.876 173.666 174.600 -0.097 0.000 1.094 675 S CA -0.452 57.691 58.200 -0.095 0.000 0.931 675 S CB 1.853 65.132 63.200 0.131 0.000 1.093 675 S HN 1.113 nan 8.310 nan 0.000 0.488 676 T N -0.316 113.994 114.554 -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 -1.169 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 -1.921 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 -1.988 172.224 174.900 -1.147 0.000 1.311 677 G CA -0.667 43.729 45.100 -1.172 0.000 0.813 677 G HN 0.746 nan 8.290 nan 0.000 0.480 678 Q N -1.270 118.189 119.800 -0.568 0.000 2.215 678 Q HA 0.732 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 -0.706 54.812 55.803 -0.475 0.000 0.889 678 Q CB 2.398 30.732 28.738 -0.673 0.000 1.281 678 Q HN 0.784 nan 8.270 nan 0.000 0.456 679 V N 0.300 120.153 119.914 -0.102 0.000 2.709 679 V HA 0.798 4.918 4.120 -0.001 0.000 0.308 679 V C -1.410 174.592 176.094 -0.154 0.000 1.062 679 V CA -0.290 61.912 62.300 -0.163 0.000 0.901 679 V CB 2.265 34.097 31.823 0.015 0.000 1.003 679 V HN 0.696 nan 8.190 nan 0.000 0.425 680 S N 4.148 119.764 115.700 -0.141 0.000 2.526 680 S HA 0.877 5.347 4.470 -0.001 0.000 0.293 680 S C -1.413 173.054 174.600 -0.222 0.000 1.092 680 S CA -0.469 57.676 58.200 -0.092 0.000 0.980 680 S CB 1.708 64.971 63.200 0.105 0.000 1.048 680 S HN 0.851 nan 8.310 nan 0.000 0.483 681 V N 4.378 124.192 119.914 -0.166 0.000 2.524 681 V HA 0.476 4.596 4.120 -0.001 0.000 0.297 681 V C -0.494 175.550 176.094 -0.083 0.000 1.035 681 V CA -0.664 61.537 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 5.348 125.500 120.200 -0.080 0.000 2.145 682 E HA 0.664 5.013 4.350 -0.001 0.000 0.270 682 E C -1.456 175.092 176.600 -0.087 0.000 0.906 682 E CA -0.507 55.849 56.400 -0.074 0.000 0.761 682 E CB 1.459 31.096 29.700 -0.104 0.000 1.116 682 E HN 0.658 nan 8.360 nan 0.000 0.408 683 I N 3.392 123.899 120.570 -0.104 0.000 2.509 683 I HA 0.284 4.454 4.170 -0.001 0.000 0.293 683 I C -0.239 175.670 176.117 -0.347 0.000 1.020 683 I CA -0.818 60.319 61.300 -0.270 0.000 1.088 683 I CB 2.082 39.810 38.000 -0.453 0.000 1.267 683 I HN 0.537 nan 8.210 nan 0.000 0.430 684 E N 5.382 125.327 120.200 -0.425 0.000 2.175 684 E HA 0.354 4.703 4.350 -0.001 0.000 0.278 684 E C -1.947 174.384 176.600 -0.449 0.000 0.969 684 E CA -0.616 55.608 56.400 -0.293 0.000 0.796 684 E CB 1.203 30.801 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 -0.093 176.463 176.519 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 0.101 0.000 1.381 685 W HN 0.462 nan 8.180 nan 0.000 0.483 686 E N 3.351 123.731 120.200 0.301 0.000 2.227 686 E HA 0.464 4.813 4.350 -0.001 0.000 0.282 686 E C -0.988 175.959 176.600 0.578 0.000 1.015 686 E CA -0.400 56.201 56.400 0.336 0.000 0.823 686 E CB 0.773 30.611 29.700 0.231 0.000 1.081 686 E HN 0.458 nan 8.360 nan 0.000 0.396 687 L N 3.680 125.180 121.223 0.463 0.000 2.325 687 L HA 0.361 4.700 4.340 -0.001 0.000 0.278 687 L C -0.061 176.920 176.870 0.184 0.000 1.023 687 L CA -0.741 54.345 54.840 0.409 0.000 0.811 687 L CB 1.670 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 3.220 122.995 119.800 -0.042 0.000 2.368 688 Q HA 0.226 4.566 4.340 -0.001 0.000 0.256 688 Q C -0.818 175.111 176.000 -0.117 0.000 0.980 688 Q CA -0.781 54.823 55.803 -0.333 0.000 0.887 688 Q CB 1.116 29.415 28.738 -0.731 0.000 1.221 688 Q HN 0.341 nan 8.270 nan 0.000 0.458 689 K N 2.330 122.637 120.400 -0.156 0.000 2.258 689 K HA 0.064 4.384 4.320 -0.001 0.000 0.264 689 K C -0.159 176.146 176.600 -0.492 0.000 1.007 689 K CA -0.087 56.070 56.287 -0.217 0.000 0.941 689 K CB 0.925 33.319 32.500 -0.176 0.000 0.966 689 K HN 0.674 nan 8.250 nan 0.000 0.480 690 E N 2.220 122.037 120.200 -0.638 0.000 2.316 690 E HA -0.033 4.316 4.350 -0.001 0.000 0.275 690 E C -0.878 175.120 176.600 -1.003 0.000 1.029 690 E CA -0.005 55.607 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 0.411 nan 8.360 nan 0.000 0.418 691 N N 2.984 120.983 118.700 -1.169 0.000 2.750 691 N HA 0.100 4.839 4.740 -0.001 0.000 0.253 691 N C -1.921 173.470 175.510 -0.199 0.000 1.408 691 N CA -0.281 52.483 53.050 -0.476 0.000 0.780 691 N CB 0.960 39.276 38.487 -0.285 0.000 1.191 691 N HN 0.203 nan 8.380 nan 0.000 0.511 692 S N 1.032 116.641 115.700 -0.152 0.000 2.503 692 S HA 0.462 4.931 4.470 -0.001 0.000 0.301 692 S C 0.174 174.803 174.600 0.048 0.000 1.087 692 S CA -0.591 57.658 58.200 0.081 0.000 1.042 692 S CB 0.701 64.027 63.200 0.210 0.000 1.043 692 S HN 0.302 nan 8.310 nan 0.000 0.489 693 K N 2.153 122.608 120.400 0.092 0.000 2.440 693 K HA 0.150 4.470 4.320 -0.001 0.000 0.206 693 K C 0.268 176.950 176.600 0.137 0.000 1.025 693 K CA -0.249 56.095 56.287 0.095 0.000 1.135 693 K CB -0.064 32.491 32.500 0.092 0.000 0.856 693 K HN 0.548 nan 8.250 nan 0.000 0.502 694 R N 0.990 121.571 120.500 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 0.248 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 5.814 127.133 121.300 0.031 0.000 2.441 695 W HA -0.076 4.584 4.660 -0.001 0.000 0.302 695 W C -0.256 176.276 176.519 0.022 0.000 1.191 695 W CA 0.947 58.305 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 -2.738 172.778 175.510 0.011 0.000 1.214 696 N CA -1.300 51.800 53.050 0.084 0.000 0.959 696 N CB -0.394 38.189 38.487 0.160 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 0.315 63.409 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 1.214 121.444 120.200 0.050 0.000 2.254 698 E HA 0.381 4.731 4.350 -0.001 0.000 0.261 698 E C 0.236 176.892 176.600 0.094 0.000 1.051 698 E CA -1.056 55.395 56.400 0.084 0.000 0.902 698 E CB 0.920 30.690 29.700 0.117 0.000 1.168 698 E HN 0.441 nan 8.360 nan 0.000 0.423 699 I N -0.957 119.681 120.570 0.113 0.000 2.529 699 I HA 0.155 4.325 4.170 -0.001 0.000 0.284 699 I C -0.348 175.927 176.117 0.264 0.000 1.082 699 I CA -0.365 61.021 61.300 0.142 0.000 1.406 699 I CB 0.536 38.593 38.000 0.094 0.000 1.405 699 I HN 0.181 nan 8.210 nan 0.000 0.548 700 Q N 4.866 124.825 119.800 0.265 0.000 2.387 700 Q HA 0.307 4.646 4.340 -0.001 0.000 0.273 700 Q C -1.345 174.840 176.000 0.309 0.000 1.089 700 Q CA -0.807 55.158 55.803 0.270 0.000 0.824 700 Q CB 2.671 31.472 28.738 0.106 0.000 1.367 700 Q HN 0.796 nan 8.270 nan 0.000 0.443 701 Y N 0.829 121.083 120.300 -0.078 0.000 2.346 701 Y HA 0.302 4.851 4.550 -0.001 0.000 0.330 701 Y C -0.118 175.785 175.900 0.006 0.000 1.178 701 Y CA 0.846 58.904 58.100 -0.070 0.000 1.331 701 Y CB 0.972 39.169 38.460 -0.439 0.000 1.253 701 Y HN 0.620 nan 8.280 nan 0.000 0.529 702 T N 3.607 117.796 114.554 -0.609 0.000 2.840 702 T HA 0.444 4.793 4.350 -0.001 0.000 0.317 702 T C -1.223 173.238 174.700 -0.398 0.000 1.401 702 T CA -0.746 61.178 62.100 -0.294 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 1.862 117.509 115.700 -0.088 0.000 2.632 703 S HA 0.407 4.877 4.470 -0.001 0.000 0.271 703 S C 0.055 174.675 174.600 0.034 0.000 1.260 703 S CA -0.698 57.503 58.200 0.002 0.000 1.010 703 S CB 0.281 63.548 63.200 0.112 0.000 0.965 703 S HN 0.731 nan 8.310 nan 0.000 0.534 704 N N 1.715 120.431 118.700 0.027 0.000 2.416 704 N HA 0.072 4.812 4.740 -0.001 0.000 0.265 704 N C 0.609 176.130 175.510 0.018 0.000 1.195 704 N CA -0.155 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 1.011 121.311 120.300 -0.000 0.000 2.574 705 Y HA 0.050 4.600 4.550 -0.001 0.000 0.294 705 Y C 0.062 175.966 175.900 0.007 0.000 1.142 705 Y CA -0.407 57.697 58.100 0.006 0.000 1.314 705 Y CB -0.236 38.226 38.460 0.003 0.000 0.991 705 Y HN 0.314 nan 8.280 nan 0.000 0.555 706 N N 2.824 121.155 118.700 -0.615 0.000 2.441 706 N HA -0.064 4.675 4.740 -0.001 0.000 0.251 706 N C -0.365 175.025 175.510 -0.200 0.000 1.242 706 N CA -0.001 52.747 53.050 -0.504 0.000 0.898 706 N CB 0.558 38.789 38.487 -0.427 0.000 1.100 706 N HN 0.367 nan 8.380 nan 0.000 0.443 707 K N 0.874 121.191 120.400 -0.138 0.000 2.437 707 K HA -0.036 4.284 4.320 -0.001 0.000 0.277 707 K C -0.222 176.338 176.600 -0.067 0.000 1.073 707 K CA 0.421 56.666 56.287 -0.069 0.000 1.105 707 K CB 0.169 32.639 32.500 -0.048 0.000 0.881 707 K HN 0.441 nan 8.250 nan 0.000 0.475 708 S N 2.746 118.418 115.700 -0.046 0.000 2.634 708 S HA 0.352 4.821 4.470 -0.001 0.000 0.296 708 S C 0.861 175.443 174.600 -0.030 0.000 1.104 708 S CA -1.044 57.130 58.200 -0.042 0.000 0.920 708 S CB 1.569 64.746 63.200 -0.039 0.000 1.111 708 S HN 0.359 nan 8.310 nan 0.000 0.493 709 V N 2.707 122.601 119.914 -0.033 0.000 2.238 709 V HA 0.022 4.142 4.120 -0.001 0.000 0.235 709 V C 0.720 176.798 176.094 -0.026 0.000 1.037 709 V CA 1.386 63.668 62.300 -0.030 0.000 0.991 709 V CB -0.832 30.970 31.823 -0.036 0.000 0.638 709 V HN 0.824 nan 8.190 nan 0.000 0.457 710 N N -0.746 117.934 118.700 -0.034 0.000 2.466 710 N HA 0.479 5.218 4.740 -0.001 0.000 0.294 710 N C -1.030 174.466 175.510 -0.023 0.000 1.129 710 N CA -0.614 52.417 53.050 -0.033 0.000 0.931 710 N CB 2.060 40.514 38.487 -0.056 0.000 1.193 710 N HN 0.079 nan 8.380 nan 0.000 0.500 711 V N 1.396 121.308 119.914 -0.003 0.000 2.583 711 V HA 0.041 4.161 4.120 -0.001 0.000 0.287 711 V C -0.069 176.042 176.094 0.028 0.000 1.051 711 V CA -0.396 61.922 62.300 0.030 0.000 1.010 711 V CB 0.823 32.684 31.823 0.062 0.000 0.988 711 V HN 0.610 nan 8.190 nan 0.000 0.478 712 D N 4.250 124.690 120.400 0.068 0.000 2.493 712 D HA 0.183 4.823 4.640 -0.001 0.000 0.240 712 D C 0.109 176.543 176.300 0.223 0.000 1.142 712 D CA 0.596 54.637 54.000 0.069 0.000 0.872 712 D CB -0.051 40.875 40.800 0.210 0.000 1.173 712 D HN 0.476 nan 8.370 nan 0.000 0.467 713 F N -0.148 119.763 119.950 -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 0.344 58.289 58.000 -0.093 0.000 1.134 713 F CB -1.763 37.299 39.000 0.103 0.000 1.440 713 F HN 0.163 nan 8.300 nan 0.000 0.799 714 T N -0.838 113.680 114.554 -0.060 0.000 2.792 714 T HA 0.686 5.036 4.350 -0.001 0.000 0.303 714 T C -0.182 174.470 174.700 -0.081 0.000 1.310 714 T CA -0.427 61.715 62.100 0.070 0.000 1.007 714 T CB 2.144 71.047 68.868 0.060 0.000 1.335 714 T HN 0.364 nan 8.240 nan 0.000 0.504 715 V N 0.383 120.254 119.914 -0.072 0.000 2.953 715 V HA 0.705 4.825 4.120 -0.001 0.000 0.304 715 V C 0.038 176.084 176.094 -0.080 0.000 1.073 715 V CA -0.631 61.592 62.300 -0.128 0.000 1.064 715 V CB 0.647 32.369 31.823 -0.168 0.000 1.047 715 V HN 0.989 nan 8.190 nan 0.000 0.478 716 D N 0.999 121.352 120.400 -0.077 0.000 2.589 716 D HA 0.293 4.932 4.640 -0.001 0.000 0.268 716 D C 1.421 177.700 176.300 -0.036 0.000 1.182 716 D CA 0.256 54.222 54.000 -0.057 0.000 1.087 716 D CB -0.008 40.752 40.800 -0.067 0.000 1.186 716 D HN 0.671 nan 8.370 nan 0.000 0.620 717 T N -2.140 112.396 114.554 -0.030 0.000 2.737 717 T HA -0.244 4.106 4.350 -0.001 0.000 0.269 717 T C 0.829 175.519 174.700 -0.015 0.000 1.040 717 T CA 1.669 63.758 62.100 -0.019 0.000 1.142 717 T CB -0.979 67.878 68.868 -0.019 0.000 0.861 717 T HN 0.605 nan 8.240 nan 0.000 0.456 718 N N 0.867 119.556 118.700 -0.019 0.000 2.380 718 N HA 0.440 5.180 4.740 -0.001 0.000 0.255 718 N C 0.689 176.191 175.510 -0.013 0.000 1.158 718 N CA -0.083 52.959 53.050 -0.013 0.000 0.878 718 N CB 0.080 38.559 38.487 -0.013 0.000 1.138 718 N HN 0.578 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 -0.760 174.123 174.900 -0.028 0.000 0.984 719 G CA 0.132 45.219 45.100 -0.021 0.000 1.339 719 G HN 0.355 nan 8.290 nan 0.000 0.485 720 V N 2.855 122.737 119.914 -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 -0.083 0.000 1.036 720 V CA -1.329 60.943 62.300 -0.047 0.000 0.876 720 V CB 1.519 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 4.513 124.670 120.300 -0.238 0.000 2.511 721 Y HA 0.493 5.042 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 0.305 58.229 58.100 -0.294 0.000 1.422 721 Y CB 1.060 39.279 38.460 -0.401 0.000 1.271 721 Y HN 0.734 nan 8.280 nan 0.000 0.550 722 S N 4.397 119.588 115.700 -0.849 0.000 2.572 722 S HA 0.442 4.911 4.470 -0.001 0.000 0.274 722 S C -1.600 172.500 174.600 -0.834 0.000 1.150 722 S CA -1.189 56.627 58.200 -0.640 0.000 0.944 722 S CB 1.372 64.346 63.200 -0.376 0.000 1.071 722 S HN 0.683 nan 8.310 nan 0.000 0.479 723 E N 2.996 122.810 120.200 -0.643 0.000 2.130 723 E HA 0.255 4.605 4.350 -0.001 0.000 0.284 723 E C -1.907 174.289 176.600 -0.675 0.000 1.018 723 E CA -2.087 53.871 56.400 -0.736 0.000 0.817 723 E CB 0.736 30.283 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 -0.011 177.124 177.300 -0.275 0.000 1.162 724 P CA 1.319 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 -2.019 118.361 120.500 -0.198 0.000 2.808 725 R HA 0.589 4.928 4.340 -0.001 0.000 0.272 725 R C -3.218 173.132 176.300 0.083 0.000 0.995 725 R CA -2.368 53.735 56.100 0.005 0.000 0.917 725 R CB 0.431 30.799 30.300 0.114 0.000 1.217 725 R HN -0.230 nan 8.270 nan 0.000 0.471 726 P HA 0.171 nan 4.420 nan 0.000 0.271 726 P C -0.595 176.833 177.300 0.214 0.000 1.216 726 P CA -0.259 62.867 63.100 0.044 0.000 0.771 726 P CB 0.482 32.177 31.700 -0.008 0.000 0.864 727 I N 2.689 123.406 120.570 0.246 0.000 2.339 727 I HA 0.309 4.479 4.170 -0.001 0.000 0.290 727 I C 1.272 177.747 176.117 0.596 0.000 0.994 727 I CA -0.265 61.242 61.300 0.345 0.000 1.191 727 I CB 0.854 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 3.630 112.815 108.800 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 45.683 45.100 0.468 0.000 1.060 728 G HN 0.572 nan 8.290 nan 0.000 0.543 729 T N -1.616 113.091 114.554 0.255 0.000 3.073 729 T HA 0.170 4.520 4.350 -0.001 0.000 0.264 729 T C 0.798 175.637 174.700 0.232 0.000 0.893 729 T CA -0.283 61.914 62.100 0.162 0.000 0.863 729 T CB 0.108 69.038 68.868 0.103 0.000 1.247 729 T HN 0.320 nan 8.240 nan 0.000 0.546 730 R N 1.290 121.915 120.500 0.209 0.000 2.825 730 R HA 0.341 4.681 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 0.198 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 0.215 120.542 120.300 0.044 0.000 2.559 731 Y HA 0.181 4.731 4.550 -0.001 0.000 0.279 731 Y C 0.952 176.903 175.900 0.085 0.000 1.117 731 Y CA 0.018 58.162 58.100 0.073 0.000 1.263 731 Y CB 0.583 39.098 38.460 0.092 0.000 1.230 731 Y HN 0.210 nan 8.280 nan 0.000 0.528 732 L N 0.841 122.229 121.223 0.275 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 -0.398 54.614 54.840 0.286 0.000 0.808 732 L CB 0.916 43.298 42.059 0.538 0.000 1.126 732 L HN 0.081 nan 8.230 nan 0.000 0.460 733 T N -0.033 114.588 114.554 0.113 0.000 2.829 733 T HA 0.553 4.902 4.350 -0.001 0.000 0.280 733 T C -0.513 174.070 174.700 -0.196 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 -0.883 175.371 176.300 -0.077 0.000 0.994 734 R CA -0.699 55.160 56.100 -0.402 0.000 0.945 734 R CB 1.397 31.073 30.300 -1.041 0.000 1.194 734 R HN 0.761 nan 8.270 nan 0.000 0.476 735 N N 1.036 119.728 118.700 -0.013 0.000 2.463 735 N HA 0.284 5.024 4.740 -0.001 0.000 0.270 735 N C -0.136 175.438 175.510 0.107 0.000 1.205 735 N CA -0.392 52.697 53.050 0.066 0.000 0.974 735 N CB 0.574 39.089 38.487 0.047 0.000 1.197 735 N HN 0.364 nan 8.380 nan 0.000 0.504 736 L N 0.000 121.254 121.223 0.051 0.000 2.949 736 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 736 L CA 0.000 54.793 54.840 -0.078 0.000 0.813 736 L CB 0.000 41.947 42.059 -0.186 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502