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_T 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 51.486 52.037 0.040 0.000 0.737 218 A CB 1.689 20.710 19.000 0.035 0.000 1.212 218 A HN 0.448 nan 8.150 nan 0.000 0.434 219 D N 0.603 121.026 120.400 0.038 0.000 2.808 219 D HA 0.703 5.343 4.640 -0.001 0.000 0.249 219 D C 0.700 177.019 176.300 0.031 0.000 1.151 219 D CA 0.220 54.239 54.000 0.031 0.000 1.089 219 D CB 1.417 42.236 40.800 0.032 0.000 1.295 219 D HN 0.669 nan 8.370 nan 0.000 0.631 220 G N -0.747 108.069 108.800 0.027 0.000 2.642 220 G HA2 0.433 4.392 3.960 -0.001 0.000 0.291 220 G HA3 0.433 4.392 3.960 -0.001 0.000 0.291 220 G C 0.882 175.797 174.900 0.024 0.000 1.345 220 G CA -0.298 44.816 45.100 0.023 0.000 1.043 220 G HN 0.205 nan 8.290 nan 0.000 0.528 221 V N 0.549 120.474 119.914 0.018 0.000 2.255 221 V HA 0.033 4.153 4.120 -0.001 0.000 0.243 221 V C 2.526 178.629 176.094 0.014 0.000 1.038 221 V CA 2.119 64.428 62.300 0.015 0.000 1.008 221 V CB -0.650 31.179 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 0.148 4.108 3.960 -0.001 0.000 0.269 222 G HA3 0.148 4.108 3.960 -0.001 0.000 0.269 222 G C -0.030 174.879 174.900 0.014 0.000 1.339 222 G CA 0.021 45.127 45.100 0.010 0.000 1.258 222 G HN 0.472 nan 8.290 nan 0.000 0.560 223 N N -0.017 118.695 118.700 0.021 0.000 2.519 223 N HA 0.266 5.005 4.740 -0.001 0.000 0.291 223 N C -0.058 175.475 175.510 0.038 0.000 1.107 223 N CA -0.524 52.541 53.050 0.025 0.000 0.904 223 N CB 1.404 39.904 38.487 0.022 0.000 1.500 223 N HN 0.035 nan 8.380 nan 0.000 0.510 224 S N 1.542 117.268 115.700 0.043 0.000 2.549 224 S HA 0.085 4.555 4.470 -0.001 0.000 0.286 224 S C 0.835 175.481 174.600 0.076 0.000 1.314 224 S CA -0.223 58.019 58.200 0.070 0.000 1.062 224 S CB 0.667 63.912 63.200 0.075 0.000 0.865 224 S HN 0.612 nan 8.310 nan 0.000 0.498 225 S N 1.109 116.882 115.700 0.121 0.000 2.618 225 S HA 0.580 5.050 4.470 -0.001 0.000 0.242 225 S C 0.655 175.300 174.600 0.076 0.000 0.972 225 S CA -0.254 58.014 58.200 0.113 0.000 1.004 225 S CB -0.695 62.598 63.200 0.155 0.000 0.778 225 S HN 1.543 nan 8.310 nan 0.000 0.459 226 G N 0.359 109.168 108.800 0.015 0.000 2.328 226 G HA2 0.325 4.284 3.960 -0.001 0.000 0.299 226 G HA3 0.325 4.284 3.960 -0.001 0.000 0.299 226 G C -1.900 172.901 174.900 -0.165 0.000 1.435 226 G CA -1.072 43.853 45.100 -0.292 0.000 0.865 226 G HN 0.281 nan 8.290 nan 0.000 0.601 227 N N -1.029 117.484 118.700 -0.311 0.000 2.545 227 N HA 0.466 5.206 4.740 -0.001 0.000 0.289 227 N C -1.011 174.405 175.510 -0.157 0.000 1.279 227 N CA -0.849 52.094 53.050 -0.178 0.000 0.824 227 N CB 2.209 40.519 38.487 -0.294 0.000 1.395 227 N HN 0.532 nan 8.380 nan 0.000 0.526 228 W N 2.574 123.722 121.300 -0.253 0.000 2.367 228 W HA 0.190 4.850 4.660 -0.001 0.000 0.329 228 W C -1.056 175.292 176.519 -0.284 0.000 1.066 228 W CA 0.025 57.294 57.345 -0.126 0.000 1.435 228 W CB -0.086 29.345 29.460 -0.049 0.000 1.296 228 W HN 0.479 nan 8.180 nan 0.000 0.401 229 H N 5.320 124.295 119.070 -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 0.970 30.657 29.762 -0.126 0.000 1.413 229 H HN 0.166 nan 8.280 nan 0.000 0.507 230 C N 4.106 123.407 119.300 0.002 0.000 2.437 230 C HA 0.386 4.846 4.460 -0.001 0.000 0.307 230 C C -0.540 174.504 174.990 0.090 0.000 1.093 230 C CA -0.277 58.746 59.018 0.009 0.000 1.463 230 C CB -0.713 27.088 27.740 0.102 0.000 1.926 230 C HN 0.873 nan 8.230 nan 0.000 0.420 231 D N 1.918 122.346 120.400 0.046 0.000 2.665 231 D HA 0.713 5.352 4.640 -0.001 0.000 0.287 231 D C -1.288 175.014 176.300 0.002 0.000 1.266 231 D CA 0.179 54.208 54.000 0.048 0.000 0.830 231 D CB 2.297 43.136 40.800 0.066 0.000 1.356 231 D HN 0.594 nan 8.370 nan 0.000 0.437 232 S N 0.504 116.207 115.700 0.005 0.000 2.562 232 S HA 0.703 5.173 4.470 -0.001 0.000 0.274 232 S C -1.863 172.722 174.600 -0.025 0.000 1.160 232 S CA -0.811 57.348 58.200 -0.069 0.000 0.933 232 S CB 1.561 64.692 63.200 -0.115 0.000 1.100 232 S HN 0.422 nan 8.310 nan 0.000 0.468 233 Q N 1.422 121.162 119.800 -0.100 0.000 2.416 233 Q HA 0.746 5.085 4.340 -0.001 0.000 0.281 233 Q C -1.865 174.086 176.000 -0.082 0.000 1.067 233 Q CA -0.502 55.317 55.803 0.027 0.000 0.809 233 Q CB 0.483 29.265 28.738 0.073 0.000 1.418 233 Q HN 0.743 nan 8.270 nan 0.000 0.411 234 W N 1.427 122.745 121.300 0.031 0.000 2.512 234 W HA 0.577 5.236 4.660 -0.001 0.000 0.335 234 W C -0.058 176.478 176.519 0.028 0.000 1.088 234 W CA -0.777 56.589 57.345 0.035 0.000 1.236 234 W CB 1.007 30.482 29.460 0.025 0.000 1.307 234 W HN 0.487 nan 8.180 nan 0.000 0.567 235 L N 3.298 124.662 121.223 0.235 0.000 3.122 235 L HA 0.244 4.584 4.340 -0.001 0.000 0.274 235 L C 1.625 178.579 176.870 0.139 0.000 1.222 235 L CA 0.719 55.646 54.840 0.145 0.000 1.028 235 L CB -0.674 41.436 42.059 0.086 0.000 1.386 235 L HN 0.998 nan 8.230 nan 0.000 0.578 236 G N 1.050 109.965 108.800 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 0.939 175.909 174.900 0.116 0.000 1.033 236 G CA 1.108 46.285 45.100 0.129 0.000 0.633 236 G HN 0.396 nan 8.290 nan 0.000 0.537 237 D N 0.023 120.494 120.400 0.118 0.000 2.449 237 D HA 0.225 4.865 4.640 -0.001 0.000 0.210 237 D C 1.098 177.489 176.300 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 -1.607 118.989 120.500 0.159 0.000 2.741 238 R HA 0.573 4.913 4.340 -0.001 0.000 0.276 238 R C -2.040 174.321 176.300 0.101 0.000 1.028 238 R CA -0.993 55.201 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 1.662 121.598 119.914 0.037 0.000 2.760 239 V HA 0.595 4.714 4.120 -0.001 0.000 0.309 239 V C -1.601 174.442 176.094 -0.084 0.000 1.077 239 V CA -0.868 61.300 62.300 -0.219 0.000 0.910 239 V CB 1.940 33.319 31.823 -0.740 0.000 1.008 239 V HN 0.678 nan 8.190 nan 0.000 0.424 240 I N 5.712 126.184 120.570 -0.163 0.000 2.362 240 I HA 0.539 4.708 4.170 -0.001 0.000 0.289 240 I C 0.405 176.440 176.117 -0.137 0.000 0.994 240 I CA 0.016 61.265 61.300 -0.085 0.000 1.158 240 I CB 2.055 40.006 38.000 -0.082 0.000 1.315 240 I HN 0.792 nan 8.210 nan 0.000 0.451 241 T N 1.447 115.959 114.554 -0.071 0.000 2.771 241 T HA 0.724 5.074 4.350 -0.001 0.000 0.281 241 T C -0.125 174.553 174.700 -0.037 0.000 0.982 241 T CA -0.633 61.398 62.100 -0.115 0.000 0.978 241 T CB 1.021 69.760 68.868 -0.216 0.000 0.930 241 T HN 0.475 nan 8.240 nan 0.000 0.447 242 T N 2.442 116.969 114.554 -0.045 0.000 2.829 242 T HA 0.675 5.025 4.350 -0.001 0.000 0.280 242 T C -0.535 174.138 174.700 -0.045 0.000 0.999 242 T CA -0.807 61.269 62.100 -0.040 0.000 0.983 242 T CB 1.640 70.481 68.868 -0.045 0.000 0.968 242 T HN 0.701 nan 8.240 nan 0.000 0.446 243 S N 1.607 117.264 115.700 -0.071 0.000 2.619 243 S HA 0.661 5.130 4.470 -0.001 0.000 0.280 243 S C -0.903 173.564 174.600 -0.221 0.000 1.150 243 S CA -0.555 57.573 58.200 -0.119 0.000 0.978 243 S CB 0.972 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 5.432 119.737 114.554 -0.415 0.000 2.863 244 T HA 0.708 5.057 4.350 -0.001 0.000 0.285 244 T C -0.803 173.536 174.700 -0.602 0.000 1.009 244 T CA -0.946 60.745 62.100 -0.681 0.000 0.989 244 T CB 1.138 69.183 68.868 -1.372 0.000 1.004 244 T HN 0.486 nan 8.240 nan 0.000 0.455 245 R N 1.016 121.374 120.500 -0.236 0.000 2.774 245 R HA 0.603 4.943 4.340 -0.001 0.000 0.272 245 R C -0.918 175.568 176.300 0.310 0.000 1.000 245 R CA -0.811 55.398 56.100 0.182 0.000 0.906 245 R CB 1.650 32.145 30.300 0.326 0.000 1.227 245 R HN 0.574 nan 8.270 nan 0.000 0.468 246 T N 2.712 117.495 114.554 0.382 0.000 2.837 246 T HA 0.543 4.893 4.350 -0.001 0.000 0.285 246 T C -0.294 174.474 174.700 0.113 0.000 0.984 246 T CA -0.559 61.636 62.100 0.159 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 0.567 121.796 121.300 -0.119 0.000 2.864 247 W HA 0.820 5.480 4.660 -0.001 0.000 0.343 247 W C -1.442 174.902 176.519 -0.293 0.000 1.109 247 W CA -1.690 55.350 57.345 -0.508 0.000 1.192 247 W CB 1.351 30.500 29.460 -0.520 0.000 1.426 247 W HN 0.736 nan 8.180 nan 0.000 0.529 248 A N 2.940 125.758 122.820 -0.003 0.000 2.386 248 A HA 0.790 5.109 4.320 -0.001 0.000 0.311 248 A C -2.155 175.549 177.584 0.200 0.000 1.068 248 A CA -0.790 51.303 52.037 0.093 0.000 0.743 248 A CB 2.004 21.011 19.000 0.011 0.000 1.258 248 A HN 0.693 nan 8.150 nan 0.000 0.429 249 L N 3.668 125.060 121.223 0.282 0.000 2.404 249 L HA 0.672 5.012 4.340 -0.001 0.000 0.272 249 L C -2.647 174.276 176.870 0.088 0.000 0.980 249 L CA -1.555 53.387 54.840 0.169 0.000 0.836 249 L CB 2.130 44.316 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 -1.034 176.104 177.300 -0.270 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 -0.317 0.000 2.929 251 T HA 0.356 4.706 4.350 -0.001 0.000 0.331 251 T C -0.493 173.990 174.700 -0.363 0.000 1.120 251 T CA -0.041 61.864 62.100 -0.325 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 2.142 122.342 120.300 -0.167 0.000 2.397 252 Y HA 0.126 4.675 4.550 -0.001 0.000 0.335 252 Y C 1.721 177.538 175.900 -0.139 0.000 1.213 252 Y CA 0.035 58.062 58.100 -0.120 0.000 1.391 252 Y CB 0.308 38.727 38.460 -0.068 0.000 1.293 252 Y HN 0.693 nan 8.280 nan 0.000 0.557 253 N N 1.730 120.488 118.700 0.096 0.000 2.690 253 N HA -0.411 4.328 4.740 -0.001 0.000 0.249 253 N C -0.193 175.308 175.510 -0.014 0.000 1.125 253 N CA 0.807 53.880 53.050 0.039 0.000 0.794 253 N CB -0.574 37.938 38.487 0.043 0.000 1.152 253 N HN 0.784 nan 8.380 nan 0.000 0.571 254 N N -0.063 118.567 118.700 -0.117 0.000 2.735 254 N HA -0.203 4.537 4.740 -0.001 0.000 0.248 254 N C -0.576 174.846 175.510 -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 -2.871 116.152 119.070 -0.078 0.000 2.899 255 H HA -0.189 4.367 4.556 -0.001 0.000 0.282 255 H C -0.181 175.148 175.328 0.001 0.000 1.198 255 H CA 1.125 57.094 56.048 -0.133 0.000 1.140 255 H CB -1.206 28.340 29.762 -0.360 0.000 1.317 255 H HN 0.302 nan 8.280 nan 0.000 0.375 256 L N 0.402 121.695 121.223 0.117 0.000 2.362 256 L HA 0.445 4.784 4.340 -0.001 0.000 0.271 256 L C -0.155 176.808 176.870 0.156 0.000 1.002 256 L CA -1.010 53.946 54.840 0.194 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 2.243 122.687 120.300 0.240 0.000 2.404 257 Y HA 0.291 4.840 4.550 -0.001 0.000 0.344 257 Y C -0.003 176.038 175.900 0.236 0.000 0.995 257 Y CA -0.213 58.060 58.100 0.289 0.000 1.201 257 Y CB 0.837 39.534 38.460 0.395 0.000 1.151 257 Y HN 0.297 nan 8.280 nan 0.000 0.517 258 K N 3.000 123.580 120.400 0.301 0.000 2.292 258 K HA 0.244 4.563 4.320 -0.001 0.000 0.257 258 K C -0.686 176.000 176.600 0.142 0.000 0.940 258 K CA -1.026 55.372 56.287 0.184 0.000 0.811 258 K CB 1.876 34.429 32.500 0.089 0.000 1.120 258 K HN 0.591 nan 8.250 nan 0.000 0.428 259 Q N 4.763 124.587 119.800 0.041 0.000 2.296 259 Q HA 0.247 4.586 4.340 -0.001 0.000 0.262 259 Q C -0.646 175.117 176.000 -0.395 0.000 0.981 259 Q CA -0.306 55.292 55.803 -0.342 0.000 0.905 259 Q CB 0.418 28.979 28.738 -0.295 0.000 1.186 259 Q HN 0.631 nan 8.270 nan 0.000 0.399 260 I N 0.726 120.927 120.570 -0.616 0.000 2.740 260 I HA 0.821 4.991 4.170 -0.001 0.000 0.303 260 I C -0.653 175.062 176.117 -0.670 0.000 1.044 260 I CA -0.713 60.315 61.300 -0.452 0.000 1.064 260 I CB 2.331 40.174 38.000 -0.262 0.000 1.249 260 I HN 0.771 nan 8.210 nan 0.000 0.433 261 S N 2.161 117.534 115.700 -0.545 0.000 2.724 261 S HA 0.529 4.999 4.470 -0.001 0.000 0.278 261 S C -0.568 173.640 174.600 -0.654 0.000 1.190 261 S CA -0.334 57.438 58.200 -0.714 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 0.961 116.408 115.700 -0.423 0.000 2.601 262 S HA 0.473 4.943 4.470 -0.001 0.000 0.271 262 S C -0.084 174.551 174.600 0.059 0.000 1.305 262 S CA -0.580 57.623 58.200 0.005 0.000 1.022 262 S CB 0.555 63.904 63.200 0.250 0.000 0.940 262 S HN 0.752 nan 8.310 nan 0.000 0.525 263 Q N 1.584 121.431 119.800 0.078 0.000 2.286 263 Q HA 0.069 4.409 4.340 -0.001 0.000 0.290 263 Q C -0.315 175.723 176.000 0.063 0.000 1.049 263 Q CA 0.421 56.252 55.803 0.047 0.000 0.923 263 Q CB 0.453 29.207 28.738 0.028 0.000 1.183 263 Q HN 0.817 nan 8.270 nan 0.000 0.383 264 S N 3.095 118.825 115.700 0.050 0.000 2.945 264 S HA 0.129 4.598 4.470 -0.001 0.000 0.344 264 S C 0.835 175.471 174.600 0.060 0.000 1.066 264 S CA 0.666 58.900 58.200 0.057 0.000 1.721 264 S CB -0.930 62.287 63.200 0.029 0.000 1.330 264 S HN 0.820 nan 8.310 nan 0.000 0.623 265 G N 1.858 110.722 108.800 0.105 0.000 2.248 265 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.263 265 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.263 265 G C 0.590 175.500 174.900 0.017 0.000 1.082 265 G CA 0.085 45.233 45.100 0.079 0.000 0.863 265 G HN 0.897 nan 8.290 nan 0.000 0.495 266 A N -1.205 121.603 122.820 -0.019 0.000 1.924 266 A HA 0.766 5.085 4.320 -0.001 0.000 0.211 266 A C 1.314 178.830 177.584 -0.113 0.000 1.198 266 A CA 1.881 53.885 52.037 -0.055 0.000 0.657 266 A CB 0.490 19.464 19.000 -0.042 0.000 0.852 266 A HN 1.502 nan 8.150 nan 0.000 0.454 267 S N -2.511 113.061 115.700 -0.215 0.000 2.547 267 S HA 0.347 4.816 4.470 -0.001 0.000 0.270 267 S C 0.197 174.511 174.600 -0.476 0.000 1.150 267 S CA -0.314 57.728 58.200 -0.263 0.000 0.850 267 S CB 1.306 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 0.815 119.369 118.700 -0.243 0.000 2.508 268 N HA 0.008 4.748 4.740 -0.001 0.000 0.186 268 N C -0.020 175.514 175.510 0.040 0.000 1.034 268 N CA 0.296 53.315 53.050 -0.052 0.000 0.885 268 N CB 0.063 38.605 38.487 0.092 0.000 1.135 268 N HN 0.525 nan 8.380 nan 0.000 0.435 269 D N 0.643 121.038 120.400 -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 0.621 54.647 54.000 0.045 0.000 0.892 269 D CB -0.250 40.592 40.800 0.070 0.000 0.900 269 D HN 0.462 nan 8.370 nan 0.000 0.531 270 N N -0.584 118.076 118.700 -0.066 0.000 2.200 270 N HA -0.003 4.736 4.740 -0.001 0.000 0.224 270 N C -0.022 175.524 175.510 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 4.582 4.556 -0.001 0.000 0.338 271 H C -0.468 175.043 175.328 0.306 0.000 1.047 271 H CA 0.652 56.820 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 1.382 121.805 120.300 0.206 0.000 2.656 272 Y HA 0.512 5.062 4.550 -0.001 0.000 0.334 272 Y C -2.159 173.859 175.900 0.198 0.000 1.179 272 Y CA -1.377 56.816 58.100 0.156 0.000 1.050 272 Y CB 1.514 40.022 38.460 0.080 0.000 1.308 272 Y HN 0.382 nan 8.280 nan 0.000 0.456 273 F N 1.146 121.027 119.950 -0.115 0.000 2.596 273 F HA 0.842 5.369 4.527 -0.001 0.000 0.311 273 F C -0.352 175.358 175.800 -0.150 0.000 1.116 273 F CA 0.001 57.845 58.000 -0.261 0.000 0.957 273 F CB 2.086 40.983 39.000 -0.172 0.000 1.250 273 F HN 1.076 nan 8.300 nan 0.000 0.444 274 G N 2.811 111.044 108.800 -0.945 0.000 2.500 274 G HA2 0.451 4.411 3.960 -0.001 0.000 0.299 274 G HA3 0.451 4.411 3.960 -0.001 0.000 0.299 274 G C -2.437 171.803 174.900 -1.099 0.000 1.242 274 G CA -0.598 44.084 45.100 -0.697 0.000 0.859 274 G HN 0.552 nan 8.290 nan 0.000 0.481 275 Y N -0.893 119.019 120.300 -0.646 0.000 2.581 275 Y HA 0.755 5.305 4.550 -0.001 0.000 0.345 275 Y C 0.142 175.830 175.900 -0.354 0.000 1.036 275 Y CA -0.768 57.073 58.100 -0.431 0.000 1.042 275 Y CB 2.656 41.008 38.460 -0.181 0.000 1.289 275 Y HN 0.557 nan 8.280 nan 0.000 0.471 276 S N 1.095 116.826 115.700 0.053 0.000 2.552 276 S HA 0.596 5.065 4.470 -0.001 0.000 0.314 276 S C -0.714 173.933 174.600 0.078 0.000 1.099 276 S CA -0.572 57.638 58.200 0.016 0.000 1.070 276 S CB 0.323 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 -2.535 172.143 174.700 -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 0.194 nan 4.420 nan 0.000 0.249 278 P C -0.861 176.431 177.300 -0.013 0.000 1.241 278 P CA -0.119 62.952 63.100 -0.049 0.000 0.781 278 P CB -0.177 31.448 31.700 -0.125 0.000 1.088 279 W N 0.423 121.731 121.300 0.014 0.000 2.438 279 W HA 0.569 5.229 4.660 -0.001 0.000 0.324 279 W C 1.042 177.580 176.519 0.032 0.000 1.119 279 W CA -0.080 57.293 57.345 0.046 0.000 1.221 279 W CB 0.983 30.465 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 -1.867 173.081 174.900 0.080 0.000 1.311 280 G CA -0.622 44.508 45.100 0.049 0.000 1.030 280 G HN 0.601 nan 8.290 nan 0.000 0.509 281 Y N -3.095 117.071 120.300 -0.224 0.000 2.641 281 Y HA 0.683 5.233 4.550 -0.001 0.000 0.333 281 Y C -1.831 173.890 175.900 -0.298 0.000 1.174 281 Y CA -2.086 55.866 58.100 -0.247 0.000 1.057 281 Y CB 0.948 39.279 38.460 -0.214 0.000 1.322 281 Y HN 0.389 nan 8.280 nan 0.000 0.457 282 F N 1.954 121.897 119.950 -0.013 0.000 2.404 282 F HA 0.502 5.028 4.527 -0.001 0.000 0.339 282 F C -0.167 175.674 175.800 0.068 0.000 1.105 282 F CA 0.002 58.030 58.000 0.048 0.000 1.087 282 F CB 1.438 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 2.683 123.213 120.400 0.216 0.000 2.780 283 D HA 0.429 5.069 4.640 -0.001 0.000 0.242 283 D C -0.871 175.496 176.300 0.112 0.000 1.135 283 D CA -0.501 53.517 54.000 0.030 0.000 0.859 283 D CB 1.154 41.978 40.800 0.039 0.000 1.530 283 D HN 0.293 nan 8.370 nan 0.000 0.493 284 F N 1.058 121.103 119.950 0.158 0.000 2.608 284 F HA 0.390 4.917 4.527 -0.001 0.000 0.383 284 F C 0.248 176.127 175.800 0.132 0.000 1.371 284 F CA -0.824 57.255 58.000 0.132 0.000 1.123 284 F CB -0.918 38.237 39.000 0.258 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 -0.263 0.000 2.375 285 N HA 0.181 4.920 4.740 -0.001 0.000 0.220 285 N C -0.195 175.108 175.510 -0.344 0.000 1.170 285 N CA -0.096 52.563 53.050 -0.652 0.000 0.833 285 N CB 0.257 38.160 38.487 -0.974 0.000 1.069 285 N HN 0.349 nan 8.380 nan 0.000 0.479 286 R N -0.541 119.858 120.500 -0.170 0.000 2.637 286 R HA 0.223 4.562 4.340 -0.001 0.000 0.291 286 R C 0.075 176.305 176.300 -0.118 0.000 0.963 286 R CA -0.643 55.319 56.100 -0.230 0.000 0.901 286 R CB 0.958 30.973 30.300 -0.475 0.000 1.160 286 R HN 0.121 nan 8.270 nan 0.000 0.457 287 F N 0.906 120.873 119.950 0.028 0.000 2.171 287 F HA -0.169 4.358 4.527 -0.001 0.000 0.300 287 F C 2.253 178.154 175.800 0.170 0.000 1.090 287 F CA 1.620 59.751 58.000 0.218 0.000 1.293 287 F CB -0.065 38.913 39.000 -0.037 0.000 1.013 287 F HN 0.715 nan 8.300 nan 0.000 0.486 288 H N -2.946 116.244 119.070 0.201 0.000 2.563 288 H HA -0.011 4.544 4.556 -0.001 0.000 0.272 288 H C 1.680 177.051 175.328 0.071 0.000 1.005 288 H CA 0.408 56.520 56.048 0.107 0.000 1.171 288 H CB -1.452 28.336 29.762 0.043 0.000 1.351 288 H HN 0.236 nan 8.280 nan 0.000 0.602 289 C N 0.542 119.792 119.300 -0.083 0.000 2.448 289 C HA -0.002 4.457 4.460 -0.001 0.000 0.280 289 C C 1.732 176.480 174.990 -0.404 0.000 1.398 289 C CA 0.849 59.704 59.018 -0.272 0.000 1.774 289 C CB -0.634 26.803 27.740 -0.505 0.000 1.888 289 C HN 0.800 nan 8.230 nan 0.000 0.519 290 H N -2.921 116.247 119.070 0.164 0.000 2.545 290 H HA 0.224 4.780 4.556 -0.001 0.000 0.251 290 H C -0.040 175.213 175.328 -0.125 0.000 0.934 290 H CA 0.152 56.209 56.048 0.016 0.000 1.116 290 H CB -0.114 29.678 29.762 0.051 0.000 1.439 290 H HN 0.311 nan 8.280 nan 0.000 0.445 291 F N 3.502 123.606 119.950 0.257 0.000 2.411 291 F HA 0.209 4.736 4.527 -0.001 0.000 0.355 291 F C 1.108 176.994 175.800 0.144 0.000 1.117 291 F CA -0.803 57.310 58.000 0.190 0.000 1.139 291 F CB 1.078 40.258 39.000 0.300 0.000 1.120 291 F HN -0.018 nan 8.300 nan 0.000 0.493 292 S N 3.942 119.796 115.700 0.258 0.000 2.584 292 S HA 0.219 4.688 4.470 -0.001 0.000 0.270 292 S C -1.859 172.846 174.600 0.175 0.000 1.346 292 S CA -1.014 57.297 58.200 0.184 0.000 1.018 292 S CB 1.216 64.504 63.200 0.146 0.000 0.899 292 S HN 0.360 nan 8.310 nan 0.000 0.542 293 P HA -0.142 nan 4.420 nan 0.000 0.215 293 P C 1.735 179.021 177.300 -0.024 0.000 1.157 293 P CA 1.214 64.215 63.100 -0.165 0.000 0.874 293 P CB -0.057 31.405 31.700 -0.396 0.000 0.790 294 R N 0.398 120.929 120.500 0.051 0.000 2.103 294 R HA -0.163 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 1.997 58.145 56.100 0.080 0.000 0.960 294 R CB -1.657 28.704 30.300 0.101 0.000 0.858 294 R HN 0.120 nan 8.270 nan 0.000 0.439 295 D N -0.610 119.939 120.400 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 1.206 55.474 54.000 0.447 0.000 0.827 295 D CB -0.614 40.515 40.800 0.548 0.000 0.966 295 D HN 0.373 nan 8.370 nan 0.000 0.456 296 W N 2.040 123.371 121.300 0.051 0.000 2.325 296 W HA -0.242 4.418 4.660 -0.001 0.000 0.299 296 W C 2.155 178.522 176.519 -0.253 0.000 1.215 296 W CA 1.453 58.668 57.345 -0.217 0.000 1.244 296 W CB -0.097 29.192 29.460 -0.286 0.000 1.140 296 W HN 0.114 nan 8.180 nan 0.000 0.523 297 Q N 0.318 120.069 119.800 -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 1.825 57.515 55.803 -0.189 0.000 0.844 297 Q CB -0.197 28.499 28.738 -0.070 0.000 0.898 297 Q HN 0.267 nan 8.270 nan 0.000 0.426 298 R N 0.159 120.543 120.500 -0.194 0.000 2.081 298 R HA -0.125 4.215 4.340 -0.001 0.000 0.235 298 R C 2.479 178.562 176.300 -0.361 0.000 1.131 298 R CA 1.343 57.223 56.100 -0.366 0.000 0.960 298 R CB -0.481 29.415 30.300 -0.673 0.000 0.856 298 R HN 0.330 nan 8.270 nan 0.000 0.436 299 L N 0.787 121.886 121.223 -0.207 0.000 1.976 299 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 299 L C 2.147 178.801 176.870 -0.360 0.000 1.071 299 L CA 1.278 55.986 54.840 -0.220 0.000 0.746 299 L CB -0.198 41.562 42.059 -0.500 0.000 0.890 299 L HN 0.134 nan 8.230 nan 0.000 0.432 300 I N 0.628 120.866 120.570 -0.554 0.000 2.208 300 I HA -0.301 3.869 4.170 -0.001 0.000 0.245 300 I C 1.796 177.781 176.117 -0.220 0.000 1.097 300 I CA 1.464 62.483 61.300 -0.469 0.000 1.363 300 I CB -1.565 36.056 38.000 -0.631 0.000 1.051 300 I HN 0.434 nan 8.210 nan 0.000 0.413 301 N N 0.935 119.506 118.700 -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 0.352 53.339 53.050 -0.104 0.000 0.866 301 N CB -0.026 38.392 38.487 -0.115 0.000 0.970 301 N HN 0.452 nan 8.380 nan 0.000 0.462 302 N N -0.233 118.422 118.700 -0.075 0.000 2.113 302 N HA 0.094 4.834 4.740 -0.001 0.000 0.223 302 N C -0.799 174.684 175.510 -0.046 0.000 1.310 302 N CA -0.052 52.948 53.050 -0.083 0.000 0.896 302 N CB 0.916 39.311 38.487 -0.154 0.000 1.097 302 N HN 0.111 nan 8.380 nan 0.000 0.507 303 N N -0.220 118.512 118.700 0.053 0.000 2.346 303 N HA 0.146 4.886 4.740 -0.001 0.000 0.289 303 N C 0.279 176.000 175.510 0.352 0.000 1.027 303 N CA -0.435 52.692 53.050 0.128 0.000 0.864 303 N CB 1.680 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 1.093 177.644 176.519 0.055 0.000 1.215 304 W CA 0.233 57.552 57.345 -0.044 0.000 1.211 304 W CB 0.395 29.741 29.460 -0.190 0.000 1.131 304 W HN 0.615 nan 8.180 nan 0.000 0.552 305 G N -1.615 107.375 108.800 0.317 0.000 2.430 305 G HA2 0.433 4.393 3.960 -0.001 0.000 0.300 305 G HA3 0.433 4.393 3.960 -0.001 0.000 0.300 305 G C -1.780 173.474 174.900 0.589 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 -1.411 118.960 119.950 0.702 0.000 2.807 306 F HA 0.930 5.457 4.527 -0.001 0.000 0.316 306 F C -0.888 175.312 175.800 0.666 0.000 1.162 306 F CA -1.136 57.312 58.000 0.747 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 -0.039 120.785 120.500 0.540 0.000 2.728 307 R HA 0.725 5.065 4.340 -0.001 0.000 0.274 307 R C -3.641 172.627 176.300 -0.052 0.000 1.032 307 R CA -1.855 54.205 56.100 -0.067 0.000 0.866 307 R CB 1.743 31.720 30.300 -0.538 0.000 1.263 307 R HN 0.396 nan 8.270 nan 0.000 0.475 308 P HA 0.355 nan 4.420 nan 0.000 0.279 308 P C -0.766 176.025 177.300 -0.848 0.000 1.252 308 P CA -0.596 61.768 63.100 -1.226 0.000 0.811 308 P CB 1.219 31.590 31.700 -2.215 0.000 1.035 309 K N 0.535 120.535 120.400 -0.667 0.000 2.524 309 K HA 0.288 4.608 4.320 -0.001 0.000 0.210 309 K C 0.379 176.966 176.600 -0.022 0.000 1.340 309 K CA 0.806 56.939 56.287 -0.258 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 0.219 120.579 120.400 -0.067 0.000 2.378 310 K HA 0.567 4.886 4.320 -0.001 0.000 0.244 310 K C -1.342 175.290 176.600 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 34.418 32.500 -0.110 0.000 1.326 310 K HN -0.071 nan 8.250 nan 0.000 0.460 311 L N -0.287 120.939 121.223 0.005 0.000 2.565 311 L HA 0.394 4.734 4.340 -0.001 0.000 0.261 311 L C -1.852 174.985 176.870 -0.055 0.000 0.932 311 L CA 0.028 54.883 54.840 0.025 0.000 0.878 311 L CB 2.421 44.563 42.059 0.139 0.000 1.333 311 L HN 0.513 nan 8.230 nan 0.000 0.409 312 S N 4.505 120.180 115.700 -0.041 0.000 2.605 312 S HA 0.653 5.123 4.470 -0.001 0.000 0.308 312 S C -1.244 173.395 174.600 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 3.416 123.374 119.950 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 -0.487 57.571 58.000 0.098 0.000 0.979 313 F CB 0.983 40.171 39.000 0.313 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 -2.180 174.302 176.600 -0.197 0.000 0.942 314 K CA -0.607 55.546 56.287 -0.223 0.000 0.798 314 K CB 1.579 34.044 32.500 -0.057 0.000 1.267 314 K HN 0.773 nan 8.250 nan 0.000 0.434 315 L N 5.871 127.163 121.223 0.114 0.000 2.346 315 L HA 0.698 5.038 4.340 -0.001 0.000 0.276 315 L C -0.743 176.383 176.870 0.426 0.000 1.006 315 L CA -0.874 54.054 54.840 0.146 0.000 0.817 315 L CB 0.987 43.120 42.059 0.123 0.000 1.272 315 L HN 0.704 nan 8.230 nan 0.000 0.421 316 F N -0.633 119.421 119.950 0.173 0.000 2.877 316 F HA 0.367 4.893 4.527 -0.001 0.000 0.319 316 F C -0.164 175.705 175.800 0.116 0.000 1.174 316 F CA -1.469 56.609 58.000 0.129 0.000 0.903 316 F CB 1.077 40.120 39.000 0.070 0.000 1.357 316 F HN 0.484 nan 8.300 nan 0.000 0.472 317 N N 0.579 119.434 118.700 0.257 0.000 2.705 317 N HA -0.200 4.539 4.740 -0.001 0.000 0.255 317 N C -1.105 174.389 175.510 -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 0.903 121.491 120.570 0.029 0.000 2.474 318 I HA 0.094 4.264 4.170 -0.001 0.000 0.287 318 I C 0.491 176.573 176.117 -0.057 0.000 1.048 318 I CA 0.118 61.415 61.300 -0.005 0.000 1.383 318 I CB 0.896 38.972 38.000 0.126 0.000 1.412 318 I HN 0.137 nan 8.210 nan 0.000 0.531 319 Q N 5.432 125.148 119.800 -0.139 0.000 2.285 319 Q HA 0.510 4.849 4.340 -0.001 0.000 0.269 319 Q C -1.401 174.484 176.000 -0.191 0.000 1.030 319 Q CA -0.759 54.955 55.803 -0.148 0.000 0.788 319 Q CB 3.138 31.770 28.738 -0.177 0.000 1.266 319 Q HN 0.391 nan 8.270 nan 0.000 0.438 320 V N 3.334 123.156 119.914 -0.155 0.000 2.347 320 V HA 0.354 4.474 4.120 -0.001 0.000 0.280 320 V C -0.324 175.622 176.094 -0.246 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 4.200 124.333 120.400 -0.445 0.000 2.244 321 K HA 0.562 4.882 4.320 -0.001 0.000 0.260 321 K C -0.350 176.115 176.600 -0.225 0.000 0.951 321 K CA -0.605 55.444 56.287 -0.396 0.000 0.826 321 K CB 2.524 34.640 32.500 -0.640 0.000 1.108 321 K HN 0.892 nan 8.250 nan 0.000 0.433 322 E N 0.288 120.455 120.200 -0.055 0.000 2.183 322 E HA 0.495 4.844 4.350 -0.001 0.000 0.271 322 E C -0.858 175.789 176.600 0.079 0.000 0.919 322 E CA -1.010 55.412 56.400 0.036 0.000 0.781 322 E CB 1.980 31.697 29.700 0.029 0.000 1.140 322 E HN 0.134 nan 8.360 nan 0.000 0.402 323 V N 2.332 122.312 119.914 0.111 0.000 2.815 323 V HA 0.802 4.922 4.120 -0.001 0.000 0.314 323 V C -1.040 175.090 176.094 0.060 0.000 1.064 323 V CA 0.003 62.358 62.300 0.092 0.000 0.952 323 V CB 2.112 33.995 31.823 0.101 0.000 1.020 323 V HN 1.022 nan 8.190 nan 0.000 0.439 324 T N 2.809 117.389 114.554 0.043 0.000 2.928 324 T HA 0.578 4.928 4.350 -0.001 0.000 0.296 324 T C -0.923 173.790 174.700 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 2.955 122.765 119.800 0.017 0.000 2.503 325 Q HA 0.394 4.733 4.340 -0.001 0.000 0.227 325 Q C 0.861 176.867 176.000 0.010 0.000 1.109 325 Q CA -0.484 55.325 55.803 0.010 0.000 0.922 325 Q CB 0.536 29.277 28.738 0.005 0.000 1.249 325 Q HN 0.544 nan 8.270 nan 0.000 0.530 326 N N 1.140 119.846 118.700 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 1.245 54.300 53.050 0.009 0.000 0.846 326 N CB 0.416 38.908 38.487 0.009 0.000 1.012 326 N HN 0.445 nan 8.380 nan 0.000 0.429 327 D N -1.629 118.773 120.400 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 0.492 54.493 54.000 0.002 0.000 1.400 327 D CB -0.478 40.323 40.800 0.001 0.000 0.975 327 D HN 0.226 nan 8.370 nan 0.000 0.212 328 G N -0.192 108.608 108.800 -0.001 0.000 3.839 328 G HA2 0.262 4.222 3.960 -0.001 0.000 0.286 328 G HA3 0.262 4.222 3.960 -0.001 0.000 0.286 328 G C -0.216 174.682 174.900 -0.004 0.000 1.005 328 G CA 0.109 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 0.691 115.244 114.554 -0.002 0.000 2.881 329 T HA 0.525 4.875 4.350 -0.001 0.000 0.290 329 T C -0.326 174.374 174.700 -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 70.228 68.868 -0.001 0.000 0.997 329 T HN 0.111 nan 8.240 nan 0.000 0.443 330 T N 2.220 116.773 114.554 -0.002 0.000 2.738 330 T HA 0.533 4.883 4.350 -0.001 0.000 0.298 330 T C 0.412 175.117 174.700 0.008 0.000 0.962 330 T CA -0.800 61.301 62.100 0.001 0.000 0.972 330 T CB 0.265 69.129 68.868 -0.007 0.000 0.928 330 T HN 0.714 nan 8.240 nan 0.000 0.474 331 T N 2.002 116.565 114.554 0.015 0.000 2.837 331 T HA 0.663 5.013 4.350 -0.001 0.000 0.285 331 T C 0.003 174.723 174.700 0.034 0.000 0.984 331 T CA -0.940 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 2.170 122.765 120.570 0.041 0.000 2.406 332 I HA 0.670 4.840 4.170 -0.001 0.000 0.290 332 I C 0.162 176.302 176.117 0.039 0.000 0.999 332 I CA -1.038 60.301 61.300 0.066 0.000 1.124 332 I CB 1.553 39.618 38.000 0.109 0.000 1.289 332 I HN 0.914 nan 8.210 nan 0.000 0.441 333 A N 5.326 128.162 122.820 0.026 0.000 2.479 333 A HA 0.625 4.945 4.320 -0.001 0.000 0.296 333 A C -0.894 176.677 177.584 -0.022 0.000 1.121 333 A CA -0.818 51.221 52.037 0.003 0.000 0.743 333 A CB 1.344 20.348 19.000 0.007 0.000 1.323 333 A HN 0.636 nan 8.150 nan 0.000 0.415 334 N N 1.981 120.664 118.700 -0.028 0.000 2.470 334 N HA 0.126 4.865 4.740 -0.001 0.000 0.268 334 N C -0.979 174.510 175.510 -0.034 0.000 1.136 334 N CA 0.174 53.197 53.050 -0.044 0.000 0.961 334 N CB 0.758 39.224 38.487 -0.036 0.000 1.067 334 N HN 0.590 nan 8.380 nan 0.000 0.468 335 N N 3.421 122.094 118.700 -0.046 0.000 2.699 335 N HA 0.204 4.944 4.740 -0.001 0.000 0.232 335 N C 0.901 176.394 175.510 -0.028 0.000 1.027 335 N CA -0.285 52.748 53.050 -0.029 0.000 0.920 335 N CB 0.327 38.799 38.487 -0.025 0.000 1.148 335 N HN 0.454 nan 8.380 nan 0.000 0.509 336 L N 0.984 122.196 121.223 -0.017 0.000 2.156 336 L HA -0.066 4.273 4.340 -0.001 0.000 0.208 336 L C 1.985 178.853 176.870 -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 0.528 nan 8.230 nan 0.000 0.439 337 T N -4.379 110.174 114.554 -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 0.039 68.910 68.868 0.005 0.000 0.959 337 T HN 0.094 nan 8.240 nan 0.000 0.525 338 S N 1.949 117.647 115.700 -0.003 0.000 2.601 338 S HA 0.522 4.991 4.470 -0.001 0.000 0.271 338 S C 0.416 175.016 174.600 0.001 0.000 1.305 338 S CA -0.421 57.775 58.200 -0.006 0.000 1.022 338 S CB 0.705 63.895 63.200 -0.016 0.000 0.940 338 S HN 0.743 nan 8.310 nan 0.000 0.525 339 T N 0.227 114.781 114.554 0.000 0.000 2.905 339 T HA 0.794 5.144 4.350 -0.001 0.000 0.283 339 T C -0.569 174.137 174.700 0.011 0.000 1.031 339 T CA -0.786 61.323 62.100 0.015 0.000 1.002 339 T CB 1.327 70.207 68.868 0.019 0.000 1.200 339 T HN 0.609 nan 8.240 nan 0.000 0.560 340 V N 0.153 120.086 119.914 0.033 0.000 3.087 340 V HA 0.522 4.642 4.120 -0.001 0.000 0.306 340 V C -1.792 174.325 176.094 0.038 0.000 1.187 340 V CA -0.789 61.526 62.300 0.024 0.000 0.999 340 V CB 2.404 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 3.488 123.291 119.800 0.005 0.000 2.331 341 Q HA 0.764 5.104 4.340 -0.001 0.000 0.267 341 Q C -1.453 174.669 176.000 0.202 0.000 1.006 341 Q CA -0.636 55.233 55.803 0.112 0.000 0.818 341 Q CB 2.561 31.383 28.738 0.139 0.000 1.276 341 Q HN 0.552 nan 8.270 nan 0.000 0.450 342 V N 3.363 123.374 119.914 0.162 0.000 2.823 342 V HA 0.745 4.864 4.120 -0.001 0.000 0.312 342 V C -0.719 175.413 176.094 0.063 0.000 1.072 342 V CA -0.830 61.449 62.300 -0.036 0.000 0.937 342 V CB 1.325 32.816 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 1.982 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 0.684 115.095 114.554 -0.238 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 -0.290 0.000 0.991 344 T CA -0.409 61.391 62.100 -0.499 0.000 0.966 344 T CB 0.906 69.368 68.868 -0.677 0.000 0.962 344 T HN 0.835 nan 8.240 nan 0.000 0.438 345 D N 3.381 123.522 120.400 -0.433 0.000 2.498 345 D HA 0.249 4.889 4.640 -0.001 0.000 0.229 345 D C 0.857 176.914 176.300 -0.405 0.000 1.188 345 D CA 0.110 53.925 54.000 -0.308 0.000 1.028 345 D CB 0.063 40.646 40.800 -0.360 0.000 1.087 345 D HN 0.428 nan 8.370 nan 0.000 0.510 346 S N 2.016 117.534 115.700 -0.302 0.000 2.501 346 S HA 0.007 4.477 4.470 -0.001 0.000 0.220 346 S C 1.250 175.564 174.600 -0.476 0.000 0.997 346 S CA 0.065 58.036 58.200 -0.382 0.000 0.919 346 S CB 0.230 63.375 63.200 -0.092 0.000 0.778 346 S HN 0.536 nan 8.310 nan 0.000 0.523 347 E N 0.293 120.329 120.200 -0.273 0.000 2.474 347 E HA 0.129 4.479 4.350 -0.001 0.000 0.195 347 E C -0.886 175.738 176.600 0.040 0.000 1.039 347 E CA -0.318 56.035 56.400 -0.078 0.000 0.881 347 E CB 0.056 29.764 29.700 0.013 0.000 0.970 347 E HN 0.538 nan 8.360 nan 0.000 0.486 348 Y N 0.514 120.830 120.300 0.028 0.000 3.078 348 Y HA -0.296 4.253 4.550 -0.001 0.000 0.202 348 Y C 1.051 176.936 175.900 -0.024 0.000 1.322 348 Y CA 0.318 58.412 58.100 -0.010 0.000 1.118 348 Y CB -2.419 36.028 38.460 -0.022 0.000 1.343 348 Y HN 0.205 nan 8.280 nan 0.000 0.499 349 Q N -0.108 119.736 119.800 0.074 0.000 2.396 349 Q HA 0.259 4.599 4.340 -0.001 0.000 0.209 349 Q C 0.374 176.293 176.000 -0.135 0.000 0.906 349 Q CA 0.186 56.019 55.803 0.051 0.000 0.927 349 Q CB 0.591 29.431 28.738 0.171 0.000 1.069 349 Q HN 0.551 nan 8.270 nan 0.000 0.523 350 L N 1.864 122.971 121.223 -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 -2.423 52.166 54.840 -0.418 0.000 0.804 350 L CB 0.968 42.756 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 0.165 63.217 63.100 -0.080 0.000 0.763 351 P CB -0.018 31.635 31.700 -0.080 0.000 0.776 352 Y N 4.150 124.445 120.300 -0.008 0.000 2.584 352 Y HA 0.119 4.668 4.550 -0.001 0.000 0.351 352 Y C 1.210 177.119 175.900 0.015 0.000 1.030 352 Y CA 0.287 58.394 58.100 0.011 0.000 1.332 352 Y CB 0.366 38.851 38.460 0.041 0.000 1.148 352 Y HN 0.150 nan 8.280 nan 0.000 0.528 353 V N 7.064 126.807 119.914 -0.285 0.000 3.647 353 V HA 0.128 4.248 4.120 -0.001 0.000 0.279 353 V C 0.523 176.432 176.094 -0.308 0.000 1.314 353 V CA 0.305 62.455 62.300 -0.249 0.000 1.125 353 V CB -0.611 31.017 31.823 -0.324 0.000 0.907 353 V HN 0.590 nan 8.190 nan 0.000 0.434 354 L N -0.246 120.625 121.223 -0.587 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 -0.157 0.000 1.151 354 L CA 0.296 54.887 54.840 -0.416 0.000 0.806 354 L CB -0.074 41.616 42.059 -0.616 0.000 1.261 354 L HN 0.282 nan 8.230 nan 0.000 0.484 355 G N 0.157 108.877 108.800 -0.134 0.000 2.225 355 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.267 355 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.267 355 G C 0.458 175.356 174.900 -0.003 0.000 1.024 355 G CA 0.524 45.582 45.100 -0.069 0.000 0.784 355 G HN 0.528 nan 8.290 nan 0.000 0.507 356 S N -0.499 115.200 115.700 -0.002 0.000 2.754 356 S HA 0.578 5.048 4.470 -0.001 0.000 0.247 356 S C 1.482 175.937 174.600 -0.242 0.000 1.031 356 S CA 0.983 59.134 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 2.146 nan 8.310 nan 0.000 0.519 357 A N 1.599 124.350 122.820 -0.114 0.000 2.816 357 A HA -0.220 4.100 4.320 -0.001 0.000 0.270 357 A C 0.420 177.949 177.584 -0.092 0.000 1.413 357 A CA 0.897 52.886 52.037 -0.079 0.000 0.866 357 A CB -2.278 16.684 19.000 -0.064 0.000 1.032 357 A HN 0.667 nan 8.150 nan 0.000 0.642 358 H N -0.117 118.956 119.070 0.004 0.000 2.767 358 H HA 0.252 4.808 4.556 -0.001 0.000 0.380 358 H C 1.010 176.361 175.328 0.038 0.000 1.409 358 H CA 0.928 56.990 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 -1.191 118.726 119.800 0.196 0.000 2.180 359 Q HA 0.404 4.743 4.340 -0.001 0.000 0.241 359 Q C 0.540 176.597 176.000 0.096 0.000 0.970 359 Q CA -0.232 55.646 55.803 0.126 0.000 0.919 359 Q CB 1.629 30.431 28.738 0.106 0.000 1.222 359 Q HN 0.958 nan 8.270 nan 0.000 0.482 360 G N -0.418 108.428 108.800 0.077 0.000 2.138 360 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.193 360 G HA3 -0.204 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 -0.348 44.786 45.100 0.056 0.000 0.668 360 G HN 0.576 nan 8.290 nan 0.000 0.516 361 C N 0.250 119.539 119.300 -0.019 0.000 2.641 361 C HA 0.613 5.072 4.460 -0.001 0.000 0.318 361 C C 1.598 176.408 174.990 -0.299 0.000 1.490 361 C CA -0.651 58.312 59.018 -0.091 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 2.384 123.425 121.223 -0.303 0.000 2.410 362 L HA 0.215 4.555 4.340 -0.001 0.000 0.273 362 L C -2.077 174.725 176.870 -0.115 0.000 1.152 362 L CA -1.107 53.472 54.840 -0.436 0.000 0.855 362 L CB -0.099 41.821 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 -0.855 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 0.213 177.515 177.300 0.004 0.000 1.150 364 P CA 1.247 64.409 63.100 0.104 0.000 0.843 364 P CB -0.021 31.622 31.700 -0.094 0.000 0.787 365 F N -0.199 119.593 119.950 -0.265 0.000 2.411 365 F HA 0.286 4.812 4.527 -0.001 0.000 0.350 365 F C -1.697 174.057 175.800 -0.077 0.000 1.114 365 F CA -2.998 54.776 58.000 -0.376 0.000 1.135 365 F CB 1.049 39.741 39.000 -0.512 0.000 1.120 365 F HN -0.110 nan 8.300 nan 0.000 0.495 366 P HA -0.149 nan 4.420 nan 0.000 0.218 366 P C 0.999 178.272 177.300 -0.044 0.000 1.148 366 P CA 1.751 64.761 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 -1.035 121.613 122.820 -0.287 0.000 2.119 367 A HA -0.054 4.266 4.320 -0.001 0.000 0.217 367 A C 0.657 178.351 177.584 0.182 0.000 1.153 367 A CA 0.723 52.758 52.037 -0.003 0.000 0.692 367 A CB -0.938 18.118 19.000 0.094 0.000 0.799 367 A HN 0.095 nan 8.150 nan 0.000 0.458 368 D N 0.164 120.717 120.400 0.255 0.000 2.348 368 D HA 0.378 5.018 4.640 -0.001 0.000 0.253 368 D C -0.189 176.274 176.300 0.272 0.000 1.161 368 D CA 0.143 54.301 54.000 0.263 0.000 0.876 368 D CB 1.382 42.350 40.800 0.280 0.000 1.160 368 D HN -0.019 nan 8.370 nan 0.000 0.459 369 V N 3.270 123.325 119.914 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 0.507 32.400 31.823 0.117 0.000 1.006 369 V HN 0.422 nan 8.190 nan 0.000 0.477 370 F N 2.528 122.567 119.950 0.149 0.000 2.593 370 F HA 0.777 5.304 4.527 -0.001 0.000 0.320 370 F C -0.457 175.423 175.800 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 3.281 122.921 119.600 0.065 0.000 2.264 371 M HA 0.525 5.005 4.480 -0.001 0.000 0.352 371 M C -1.339 174.959 176.300 -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 7.364 127.202 119.914 -0.128 0.000 2.508 372 V HA 0.249 4.368 4.120 -0.001 0.000 0.281 372 V C -2.056 173.963 176.094 -0.126 0.000 1.041 372 V CA -1.267 60.924 62.300 -0.181 0.000 1.016 372 V CB 0.453 32.029 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 -0.143 62.708 63.100 -0.416 0.000 0.780 373 P CB 0.469 31.734 31.700 -0.726 0.000 0.898 374 Q N 1.282 120.762 119.800 -0.533 0.000 2.230 374 Q HA 0.238 4.578 4.340 -0.001 0.000 0.248 374 Q C -1.313 174.698 176.000 0.019 0.000 0.915 374 Q CA -0.704 54.709 55.803 -0.651 0.000 0.900 374 Q CB 0.495 28.483 28.738 -1.249 0.000 1.229 374 Q HN 0.377 nan 8.270 nan 0.000 0.439 375 Y N 1.474 121.773 120.300 -0.001 0.000 2.327 375 Y HA 0.581 5.131 4.550 -0.001 0.000 0.336 375 Y C -0.297 175.605 175.900 0.003 0.000 1.035 375 Y CA 0.140 58.258 58.100 0.030 0.000 1.165 375 Y CB 1.223 39.709 38.460 0.044 0.000 1.181 375 Y HN 0.639 nan 8.280 nan 0.000 0.494 376 G N 5.068 113.504 108.800 -0.607 0.000 2.696 376 G HA2 0.528 4.487 3.960 -0.001 0.000 0.295 376 G HA3 0.528 4.487 3.960 -0.001 0.000 0.295 376 G C -2.294 172.299 174.900 -0.510 0.000 1.398 376 G CA -0.823 43.993 45.100 -0.474 0.000 0.920 376 G HN 0.743 nan 8.290 nan 0.000 0.492 377 Y N -1.063 119.035 120.300 -0.337 0.000 2.615 377 Y HA 0.822 5.372 4.550 -0.001 0.000 0.341 377 Y C -1.176 174.736 175.900 0.020 0.000 1.089 377 Y CA -1.694 56.296 58.100 -0.185 0.000 1.049 377 Y CB 1.536 39.916 38.460 -0.134 0.000 1.296 377 Y HN 0.467 nan 8.280 nan 0.000 0.470 378 L N 2.006 123.363 121.223 0.223 0.000 2.334 378 L HA 0.733 5.073 4.340 -0.001 0.000 0.273 378 L C -0.221 176.859 176.870 0.350 0.000 1.013 378 L CA -0.609 54.359 54.840 0.214 0.000 0.816 378 L CB 2.407 44.587 42.059 0.202 0.000 1.278 378 L HN 0.965 nan 8.230 nan 0.000 0.431 379 T N 0.342 115.100 114.554 0.340 0.000 2.688 379 T HA 0.452 4.801 4.350 -0.001 0.000 0.249 379 T C -0.891 173.989 174.700 0.299 0.000 0.944 379 T CA -0.682 61.648 62.100 0.383 0.000 1.058 379 T CB 0.885 70.034 68.868 0.470 0.000 1.673 379 T HN 0.118 nan 8.240 nan 0.000 0.565 380 L N 2.977 124.358 121.223 0.265 0.000 2.350 380 L HA 0.578 4.918 4.340 -0.001 0.000 0.275 380 L C -0.576 176.383 176.870 0.150 0.000 1.099 380 L CA -0.365 54.586 54.840 0.185 0.000 0.808 380 L CB 0.128 42.273 42.059 0.143 0.000 1.149 380 L HN 0.910 nan 8.230 nan 0.000 0.442 381 N N 1.286 120.052 118.700 0.111 0.000 2.331 381 N HA 0.328 5.068 4.740 -0.001 0.000 0.280 381 N C -1.379 174.137 175.510 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 1.098 119.759 118.700 -0.064 0.000 2.816 382 N HA 0.436 5.175 4.740 -0.001 0.000 0.236 382 N C 0.636 176.066 175.510 -0.133 0.000 1.076 382 N CA 0.986 53.995 53.050 -0.068 0.000 0.902 382 N CB 0.049 38.490 38.487 -0.076 0.000 1.149 382 N HN 1.029 nan 8.380 nan 0.000 0.506 383 G N 2.338 111.053 108.800 -0.141 0.000 2.523 383 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.271 383 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.271 383 G C 0.790 175.482 174.900 -0.347 0.000 1.146 383 G CA 0.520 45.366 45.100 -0.423 0.000 0.961 383 G HN 0.777 nan 8.290 nan 0.000 0.549 384 S N 0.260 115.714 115.700 -0.409 0.000 2.528 384 S HA 0.302 4.772 4.470 -0.001 0.000 0.219 384 S C 1.073 175.603 174.600 -0.118 0.000 0.985 384 S CA 1.300 59.441 58.200 -0.098 0.000 0.914 384 S CB 0.235 63.429 63.200 -0.010 0.000 0.776 384 S HN 0.757 nan 8.310 nan 0.000 0.526 385 Q N 0.585 120.258 119.800 -0.212 0.000 2.237 385 Q HA 0.718 5.058 4.340 -0.001 0.000 0.219 385 Q C -0.319 175.391 176.000 -0.483 0.000 0.999 385 Q CA -0.412 55.203 55.803 -0.313 0.000 0.959 385 Q CB 1.170 29.771 28.738 -0.228 0.000 1.173 385 Q HN 0.490 nan 8.270 nan 0.000 0.527 386 A N 0.364 122.775 122.820 -0.680 0.000 2.346 386 A HA 0.703 5.023 4.320 -0.001 0.000 0.313 386 A C -0.689 176.708 177.584 -0.312 0.000 1.140 386 A CA -0.605 51.021 52.037 -0.685 0.000 0.826 386 A CB 1.000 19.251 19.000 -1.249 0.000 1.332 386 A HN 0.465 nan 8.150 nan 0.000 0.457 387 V N -0.461 119.349 119.914 -0.173 0.000 3.406 387 V HA 0.530 4.650 4.120 -0.001 0.000 0.305 387 V C 1.770 177.833 176.094 -0.052 0.000 1.136 387 V CA 0.315 62.565 62.300 -0.083 0.000 1.011 387 V CB 1.251 33.058 31.823 -0.026 0.000 1.221 387 V HN 1.131 nan 8.190 nan 0.000 0.454 388 G N -0.431 108.355 108.800 -0.024 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 1.156 176.068 174.900 0.019 0.000 1.138 388 G CA -0.019 45.078 45.100 -0.006 0.000 0.793 388 G HN 0.576 nan 8.290 nan 0.000 0.539 389 R N 0.901 121.420 120.500 0.031 0.000 2.363 389 R HA 0.214 4.554 4.340 -0.001 0.000 0.236 389 R C 0.086 176.436 176.300 0.083 0.000 0.966 389 R CA -0.176 55.955 56.100 0.052 0.000 1.100 389 R CB 0.195 30.527 30.300 0.054 0.000 1.125 389 R HN 0.133 nan 8.270 nan 0.000 0.514 390 S N 0.361 116.118 115.700 0.095 0.000 2.584 390 S HA 0.219 4.688 4.470 -0.001 0.000 0.273 390 S C 0.071 174.767 174.600 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 65.038 63.200 0.214 0.000 0.939 390 S HN 0.060 nan 8.310 nan 0.000 0.513 391 S N 2.312 118.117 115.700 0.174 0.000 2.437 391 S HA 0.517 4.987 4.470 -0.001 0.000 0.305 391 S C -0.921 173.624 174.600 -0.091 0.000 1.109 391 S CA -0.550 57.610 58.200 -0.066 0.000 1.099 391 S CB 0.478 63.566 63.200 -0.186 0.000 1.004 391 S HN 0.556 nan 8.310 nan 0.000 0.475 392 F N 4.041 123.744 119.950 -0.411 0.000 2.427 392 F HA 0.561 5.088 4.527 -0.001 0.000 0.346 392 F C -1.485 173.999 175.800 -0.526 0.000 1.120 392 F CA -1.459 56.294 58.000 -0.411 0.000 1.033 392 F CB 0.445 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 5.532 125.538 120.300 -0.490 0.000 2.328 393 Y HA 0.401 4.951 4.550 -0.001 0.000 0.333 393 Y C -0.071 175.455 175.900 -0.624 0.000 0.958 393 Y CA -0.857 56.963 58.100 -0.467 0.000 1.167 393 Y CB 1.408 39.676 38.460 -0.321 0.000 1.151 393 Y HN 0.715 nan 8.280 nan 0.000 0.470 394 C N 5.787 124.817 119.300 -0.451 0.000 2.307 394 C HA 0.401 4.861 4.460 -0.001 0.000 0.340 394 C C 0.994 176.051 174.990 0.112 0.000 1.275 394 C CA -0.578 58.221 59.018 -0.366 0.000 1.811 394 C CB -0.805 26.665 27.740 -0.450 0.000 2.372 394 C HN 0.981 nan 8.230 nan 0.000 0.531 395 L N 4.410 125.759 121.223 0.210 0.000 2.554 395 L HA 0.149 4.489 4.340 -0.001 0.000 0.226 395 L C 2.260 179.185 176.870 0.093 0.000 1.137 395 L CA 1.258 56.084 54.840 -0.022 0.000 0.863 395 L CB -0.439 41.164 42.059 -0.760 0.000 0.985 395 L HN 0.690 nan 8.230 nan 0.000 0.451 396 E N -1.553 118.848 120.200 0.335 0.000 2.435 396 E HA -0.141 4.208 4.350 -0.001 0.000 0.195 396 E C 1.154 177.867 176.600 0.189 0.000 1.029 396 E CA 0.497 57.093 56.400 0.327 0.000 0.865 396 E CB -0.092 29.813 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 0.121 4.670 4.550 -0.001 0.000 0.293 397 Y C -0.396 175.272 175.900 -0.386 0.000 1.186 397 Y CA -0.321 57.676 58.100 -0.172 0.000 1.266 397 Y CB -0.006 38.319 38.460 -0.226 0.000 1.101 397 Y HN -0.229 nan 8.280 nan 0.000 0.517 398 F N 1.000 120.701 119.950 -0.415 0.000 2.495 398 F HA 0.433 4.960 4.527 -0.001 0.000 0.327 398 F C -2.171 173.285 175.800 -0.573 0.000 1.103 398 F CA -3.138 54.471 58.000 -0.651 0.000 0.949 398 F CB 0.904 39.169 39.000 -1.224 0.000 1.142 398 F HN -0.057 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 -0.050 62.956 63.100 -0.156 0.000 0.763 399 P CB 0.567 32.198 31.700 -0.114 0.000 0.806 400 S N 1.698 117.394 115.700 -0.007 0.000 2.548 400 S HA 0.397 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 1.620 64.978 63.200 0.263 0.000 1.070 400 S HN 0.440 nan 8.310 nan 0.000 0.480 401 Q N 1.871 121.804 119.800 0.223 0.000 2.288 401 Q HA 0.392 4.731 4.340 -0.001 0.000 0.258 401 Q C -0.958 175.148 176.000 0.177 0.000 0.957 401 Q CA -0.170 55.760 55.803 0.211 0.000 0.919 401 Q CB 0.508 29.435 28.738 0.315 0.000 1.185 401 Q HN 0.719 nan 8.270 nan 0.000 0.408 402 M N 4.480 124.163 119.600 0.138 0.000 2.209 402 M HA 0.331 4.810 4.480 -0.001 0.000 0.355 402 M C -1.220 175.146 176.300 0.111 0.000 1.171 402 M CA -0.718 54.648 55.300 0.110 0.000 1.069 402 M CB 0.954 33.602 32.600 0.081 0.000 1.622 402 M HN 0.451 nan 8.290 nan 0.000 0.459 403 L N 2.841 124.128 121.223 0.107 0.000 2.362 403 L HA 0.591 4.931 4.340 -0.001 0.000 0.275 403 L C -0.138 176.785 176.870 0.088 0.000 0.998 403 L CA -0.336 54.573 54.840 0.115 0.000 0.820 403 L CB 1.704 43.855 42.059 0.154 0.000 1.270 403 L HN 0.598 nan 8.230 nan 0.000 0.415 404 R N -0.033 120.513 120.500 0.076 0.000 2.602 404 R HA 0.656 4.996 4.340 -0.001 0.000 0.237 404 R C -0.469 175.868 176.300 0.061 0.000 1.219 404 R CA -0.542 55.591 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 0.629 115.207 114.554 0.040 0.000 2.817 405 T HA 0.338 4.688 4.350 -0.001 0.000 0.295 405 T C 0.809 175.538 174.700 0.048 0.000 0.958 405 T CA 0.983 63.106 62.100 0.038 0.000 1.157 405 T CB 0.632 69.507 68.868 0.012 0.000 0.898 405 T HN 0.772 nan 8.240 nan 0.000 0.536 406 G N 3.712 112.552 108.800 0.067 0.000 2.218 406 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.216 406 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.216 406 G C 0.209 175.160 174.900 0.084 0.000 0.994 406 G CA -0.679 44.463 45.100 0.069 0.000 0.637 406 G HN 0.600 nan 8.290 nan 0.000 0.505 407 N N 1.725 120.483 118.700 0.097 0.000 2.445 407 N HA 0.563 5.303 4.740 -0.001 0.000 0.264 407 N C 0.109 175.716 175.510 0.162 0.000 1.227 407 N CA 0.388 53.509 53.050 0.117 0.000 0.963 407 N CB 0.890 39.447 38.487 0.118 0.000 1.188 407 N HN 0.760 nan 8.380 nan 0.000 0.491 408 N N -0.674 118.135 118.700 0.182 0.000 2.934 408 N HA 0.384 5.124 4.740 -0.001 0.000 0.253 408 N C -1.879 173.805 175.510 0.290 0.000 1.466 408 N CA -0.561 52.635 53.050 0.243 0.000 0.858 408 N CB 1.294 39.908 38.487 0.213 0.000 1.459 408 N HN 0.366 nan 8.380 nan 0.000 0.532 409 F N 0.121 120.159 119.950 0.146 0.000 2.529 409 F HA 0.522 5.049 4.527 -0.001 0.000 0.320 409 F C -0.742 175.147 175.800 0.148 0.000 1.118 409 F CA -0.392 57.696 58.000 0.145 0.000 0.915 409 F CB 2.041 41.140 39.000 0.164 0.000 1.161 409 F HN 0.577 nan 8.300 nan 0.000 0.445 410 Q N 5.086 124.526 119.800 -0.599 0.000 2.377 410 Q HA 0.677 5.016 4.340 -0.001 0.000 0.271 410 Q C -2.048 173.716 176.000 -0.393 0.000 1.077 410 Q CA -0.643 54.953 55.803 -0.344 0.000 0.820 410 Q CB 2.133 30.752 28.738 -0.198 0.000 1.347 410 Q HN 0.691 nan 8.270 nan 0.000 0.444 411 F N 0.655 120.468 119.950 -0.229 0.000 2.669 411 F HA 0.581 5.108 4.527 -0.001 0.000 0.315 411 F C -1.598 174.201 175.800 -0.002 0.000 1.109 411 F CA -0.239 57.700 58.000 -0.103 0.000 1.028 411 F CB 1.490 40.531 39.000 0.067 0.000 1.287 411 F HN 0.505 nan 8.300 nan 0.000 0.452 412 S N 4.597 119.804 115.700 -0.822 0.000 2.536 412 S HA 0.609 5.079 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 -0.630 0.000 0.950 412 S CB 1.993 64.988 63.200 -0.341 0.000 1.056 412 S HN 0.644 nan 8.310 nan 0.000 0.481 413 Y N 0.986 120.896 120.300 -0.649 0.000 2.524 413 Y HA 0.613 5.162 4.550 -0.001 0.000 0.347 413 Y C -1.107 174.551 175.900 -0.403 0.000 1.005 413 Y CA -0.388 57.380 58.100 -0.554 0.000 1.025 413 Y CB 1.784 39.919 38.460 -0.541 0.000 1.275 413 Y HN 0.550 nan 8.280 nan 0.000 0.460 414 T N 6.536 120.375 114.554 -1.191 0.000 2.815 414 T HA 0.410 4.759 4.350 -0.001 0.000 0.289 414 T C -0.818 173.205 174.700 -1.128 0.000 1.000 414 T CA -0.402 61.192 62.100 -0.844 0.000 0.958 414 T CB 0.092 68.673 68.868 -0.480 0.000 0.944 414 T HN 0.411 nan 8.240 nan 0.000 0.442 415 F N 2.590 122.145 119.950 -0.660 0.000 2.490 415 F HA 0.229 4.755 4.527 -0.001 0.000 0.336 415 F C 1.530 177.146 175.800 -0.307 0.000 1.178 415 F CA -0.459 57.313 58.000 -0.379 0.000 1.301 415 F CB 0.573 39.425 39.000 -0.248 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 0.634 121.005 120.400 -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 54.163 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 0.218 nan 8.370 nan 0.000 0.496 418 V N 4.423 124.294 119.914 -0.072 0.000 2.577 418 V HA 0.445 4.564 4.120 -0.001 0.000 0.303 418 V C -2.454 173.633 176.094 -0.011 0.000 1.042 418 V CA -2.382 59.918 62.300 0.001 0.000 0.872 418 V CB 2.051 33.925 31.823 0.083 0.000 0.998 418 V HN 0.325 nan 8.190 nan 0.000 0.423 419 P HA 0.077 nan 4.420 nan 0.000 0.266 419 P C -0.524 176.869 177.300 0.155 0.000 1.186 419 P CA 0.331 63.479 63.100 0.080 0.000 0.767 419 P CB 0.102 31.856 31.700 0.090 0.000 0.820 420 F N 0.822 120.871 119.950 0.165 0.000 2.595 420 F HA 0.018 4.545 4.527 -0.001 0.000 0.359 420 F C 1.786 177.667 175.800 0.136 0.000 1.147 420 F CA 0.481 58.592 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 0.894 120.036 119.070 0.120 0.000 2.679 421 H HA 0.198 4.754 4.556 -0.001 0.000 0.369 421 H C -0.367 174.965 175.328 0.006 0.000 1.178 421 H CA -0.435 55.526 56.048 -0.145 0.000 1.419 421 H CB 0.688 30.132 29.762 -0.530 0.000 1.458 421 H HN 0.471 nan 8.280 nan 0.000 0.605 422 S N 2.421 117.553 115.700 -0.946 0.000 2.416 422 S HA 0.084 4.553 4.470 -0.001 0.000 0.302 422 S C 0.124 174.418 174.600 -0.510 0.000 1.120 422 S CA -0.402 57.416 58.200 -0.637 0.000 1.067 422 S CB 0.304 62.965 63.200 -0.897 0.000 1.057 422 S HN 0.592 nan 8.310 nan 0.000 0.518 423 S N 2.957 118.669 115.700 0.019 0.000 2.602 423 S HA 0.257 4.726 4.470 -0.001 0.000 0.246 423 S C -0.183 174.495 174.600 0.131 0.000 1.009 423 S CA -0.554 57.731 58.200 0.142 0.000 1.052 423 S CB -0.509 62.862 63.200 0.285 0.000 0.778 423 S HN 0.806 nan 8.310 nan 0.000 0.455 424 Y N -1.714 118.464 120.300 -0.203 0.000 2.638 424 Y HA 0.891 5.441 4.550 -0.001 0.000 0.339 424 Y C -0.816 174.877 175.900 -0.345 0.000 1.084 424 Y CA -1.887 56.022 58.100 -0.320 0.000 1.068 424 Y CB 0.733 38.800 38.460 -0.656 0.000 1.294 424 Y HN -0.057 nan 8.280 nan 0.000 0.480 425 A N 1.089 123.755 122.820 -0.256 0.000 2.414 425 A HA 0.540 4.860 4.320 -0.001 0.000 0.306 425 A C -1.503 175.961 177.584 -0.199 0.000 1.054 425 A CA -0.889 50.965 52.037 -0.304 0.000 0.724 425 A CB 0.683 19.590 19.000 -0.155 0.000 1.267 425 A HN 0.844 nan 8.150 nan 0.000 0.418 426 H N 1.798 120.846 119.070 -0.038 0.000 2.764 426 H HA 0.124 4.680 4.556 -0.001 0.000 0.341 426 H C 1.360 176.684 175.328 -0.008 0.000 1.072 426 H CA 0.999 57.047 56.048 -0.001 0.000 1.444 426 H CB 1.351 31.107 29.762 -0.010 0.000 1.458 426 H HN 0.783 nan 8.280 nan 0.000 0.572 427 S N 2.205 117.976 115.700 0.118 0.000 2.558 427 S HA 0.039 4.509 4.470 -0.001 0.000 0.217 427 S C 0.581 175.222 174.600 0.069 0.000 0.975 427 S CA -0.088 58.157 58.200 0.076 0.000 0.912 427 S CB 0.487 63.727 63.200 0.067 0.000 0.776 427 S HN 0.595 nan 8.310 nan 0.000 0.526 428 Q N 0.383 120.229 119.800 0.077 0.000 2.486 428 Q HA 0.661 5.001 4.340 -0.001 0.000 0.274 428 Q C -1.133 174.884 176.000 0.028 0.000 1.076 428 Q CA -0.803 55.025 55.803 0.042 0.000 0.872 428 Q CB 1.906 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 -0.374 115.331 115.700 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 64.079 63.200 0.003 0.000 1.048 429 S HN 0.717 nan 8.310 nan 0.000 0.483 430 L N 2.300 123.514 121.223 -0.015 0.000 2.137 430 L HA -0.167 4.173 4.340 -0.001 0.000 0.213 430 L C 1.921 178.809 176.870 0.030 0.000 1.085 430 L CA 2.069 56.918 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 -1.628 118.775 120.400 0.005 0.000 2.355 431 D HA -0.081 4.558 4.640 -0.001 0.000 0.206 431 D C 0.882 177.175 176.300 -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 40.815 40.800 -0.025 0.000 0.966 431 D HN 0.152 nan 8.370 nan 0.000 0.512 432 R N 1.170 121.668 120.500 -0.004 0.000 4.017 432 R HA 0.235 4.575 4.340 -0.001 0.000 0.272 432 R C 0.557 176.860 176.300 0.006 0.000 1.516 432 R CA -0.272 55.827 56.100 -0.003 0.000 1.519 432 R CB 0.445 30.745 30.300 -0.000 0.000 1.422 432 R HN 0.199 nan 8.270 nan 0.000 0.719 433 L N 0.481 121.709 121.223 0.009 0.000 2.609 433 L HA 0.224 4.564 4.340 -0.001 0.000 0.230 433 L C 0.350 177.230 176.870 0.017 0.000 1.064 433 L CA 0.853 55.707 54.840 0.023 0.000 0.873 433 L CB 0.139 42.229 42.059 0.053 0.000 1.139 433 L HN 0.196 nan 8.230 nan 0.000 0.490 434 M N -0.874 118.725 119.600 -0.001 0.000 2.116 434 M HA 0.269 4.748 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 -0.370 54.923 55.300 -0.011 0.000 0.959 434 M CB -0.807 31.771 32.600 -0.036 0.000 1.313 434 M HN -0.140 nan 8.290 nan 0.000 0.530 435 N N 0.765 119.457 118.700 -0.013 0.000 2.408 435 N HA 0.301 5.040 4.740 -0.001 0.000 0.257 435 N C -2.150 173.353 175.510 -0.012 0.000 1.064 435 N CA -1.702 51.343 53.050 -0.008 0.000 0.952 435 N CB 0.704 39.188 38.487 -0.005 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 0.815 178.111 177.300 -0.007 0.000 1.148 436 P CA 0.640 63.736 63.100 -0.008 0.000 0.779 436 P CB 0.489 32.187 31.700 -0.003 0.000 0.780 437 L N -2.118 119.101 121.223 -0.005 0.000 2.470 437 L HA 0.140 4.480 4.340 -0.001 0.000 0.219 437 L C 1.023 177.891 176.870 -0.003 0.000 1.071 437 L CA 0.687 55.525 54.840 -0.003 0.000 0.850 437 L CB -0.288 41.771 42.059 -0.001 0.000 1.040 437 L HN -0.126 nan 8.230 nan 0.000 0.475 438 I N -0.678 119.888 120.570 -0.006 0.000 2.607 438 I HA 0.308 4.477 4.170 -0.001 0.000 0.305 438 I C -0.526 175.580 176.117 -0.019 0.000 0.995 438 I CA -0.839 60.458 61.300 -0.006 0.000 1.148 438 I CB 1.288 39.288 38.000 0.001 0.000 1.323 438 I HN -0.061 nan 8.210 nan 0.000 0.461 439 D N 2.947 123.336 120.400 -0.019 0.000 2.253 439 D HA 0.370 5.010 4.640 -0.001 0.000 0.249 439 D C 0.189 176.450 176.300 -0.064 0.000 1.049 439 D CA -0.345 53.630 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 0.352 nan 8.370 nan 0.000 0.437 440 Q N 0.132 119.862 119.800 -0.118 0.000 2.500 440 Q HA 0.165 4.505 4.340 -0.001 0.000 0.215 440 Q C 0.135 176.035 176.000 -0.165 0.000 1.062 440 Q CA -0.218 55.455 55.803 -0.217 0.000 0.996 440 Q CB 0.464 29.043 28.738 -0.266 0.000 1.239 440 Q HN 0.692 nan 8.270 nan 0.000 0.578 441 Y N -2.012 118.253 120.300 -0.058 0.000 2.531 441 Y HA 0.433 4.982 4.550 -0.001 0.000 0.249 441 Y C -0.183 175.709 175.900 -0.014 0.000 1.168 441 Y CA -0.510 57.568 58.100 -0.037 0.000 1.226 441 Y CB 0.378 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 0.978 122.155 121.223 -0.076 0.000 2.360 442 L HA 0.430 4.769 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 -1.043 53.826 54.840 0.048 0.000 0.803 442 L CB 1.086 43.124 42.059 -0.036 0.000 1.207 442 L HN 0.084 nan 8.230 nan 0.000 0.445 443 Y N 0.392 120.734 120.300 0.070 0.000 2.468 443 Y HA 0.468 5.018 4.550 -0.001 0.000 0.342 443 Y C -0.412 175.575 175.900 0.145 0.000 1.021 443 Y CA -0.620 57.513 58.100 0.054 0.000 1.079 443 Y CB 1.854 40.295 38.460 -0.032 0.000 1.226 443 Y HN 0.393 nan 8.280 nan 0.000 0.460 444 Y N 0.432 120.881 120.300 0.248 0.000 2.602 444 Y HA 0.728 5.278 4.550 -0.001 0.000 0.342 444 Y C -1.631 174.480 175.900 0.351 0.000 1.029 444 Y CA -1.867 56.372 58.100 0.232 0.000 1.080 444 Y CB 1.149 39.671 38.460 0.103 0.000 1.284 444 Y HN 0.546 nan 8.280 nan 0.000 0.485 445 L N 3.249 124.723 121.223 0.419 0.000 2.257 445 L HA 0.411 4.750 4.340 -0.001 0.000 0.290 445 L C -0.035 176.914 176.870 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 42.701 42.059 0.090 0.000 1.193 445 L HN 1.045 nan 8.230 nan 0.000 0.425 446 N N 2.574 121.277 118.700 0.005 0.000 2.210 446 N HA 0.164 4.903 4.740 -0.001 0.000 0.203 446 N C -0.384 175.123 175.510 -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 39.211 38.487 0.232 0.000 1.041 446 N HN 0.335 nan 8.380 nan 0.000 0.506 447 R N 1.053 121.492 120.500 -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 1.488 31.727 30.300 -0.100 0.000 1.176 447 R HN 0.236 nan 8.270 nan 0.000 0.447 448 T N -1.541 112.958 114.554 -0.090 0.000 3.042 448 T HA -0.063 4.286 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 0.359 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 1.063 120.832 119.800 -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 1.742 110.521 108.800 -0.034 0.000 2.151 450 G HA2 0.272 4.231 3.960 -0.001 0.000 0.269 450 G HA3 0.272 4.231 3.960 -0.001 0.000 0.269 450 G C -0.420 174.461 174.900 -0.032 0.000 1.069 450 G CA 0.856 45.940 45.100 -0.028 0.000 1.080 450 G HN 0.369 nan 8.290 nan 0.000 0.405 451 T N 0.736 115.274 114.554 -0.026 0.000 2.551 451 T HA 0.332 4.682 4.350 -0.001 0.000 0.249 451 T C 0.671 175.361 174.700 -0.017 0.000 0.851 451 T CA -0.577 61.508 62.100 -0.025 0.000 1.149 451 T CB 0.608 69.460 68.868 -0.027 0.000 1.456 451 T HN 0.184 nan 8.240 nan 0.000 0.514 452 T N 2.856 117.401 114.554 -0.015 0.000 3.826 452 T HA 0.121 4.471 4.350 -0.001 0.000 0.239 452 T C 0.622 175.316 174.700 -0.010 0.000 1.007 452 T CA 0.149 62.243 62.100 -0.011 0.000 1.171 452 T CB -0.651 68.212 68.868 -0.009 0.000 1.153 452 T HN 0.531 nan 8.240 nan 0.000 0.854 453 S N 2.615 118.309 115.700 -0.010 0.000 3.829 453 S HA 0.349 4.819 4.470 -0.001 0.000 0.250 453 S C 1.245 175.841 174.600 -0.007 0.000 1.263 453 S CA -0.159 58.035 58.200 -0.009 0.000 0.955 453 S CB -0.643 62.551 63.200 -0.009 0.000 1.611 453 S HN 0.811 nan 8.310 nan 0.000 0.483 454 G N 2.011 110.807 108.800 -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 -0.222 174.674 174.900 -0.006 0.000 1.776 454 G CA -0.120 44.976 45.100 -0.006 0.000 0.699 454 G HN 0.512 nan 8.290 nan 0.000 0.745 455 T N 1.580 116.131 114.554 -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 1.253 70.118 68.868 -0.004 0.000 0.955 455 T HN 0.509 nan 8.240 nan 0.000 0.452 456 T N 3.275 117.825 114.554 -0.006 0.000 3.935 456 T HA -0.173 4.176 4.350 -0.001 0.000 0.346 456 T C 0.161 174.857 174.700 -0.008 0.000 0.758 456 T CA 0.579 62.676 62.100 -0.006 0.000 1.874 456 T CB -1.236 67.629 68.868 -0.005 0.000 1.875 456 T HN 0.617 nan 8.240 nan 0.000 0.802 457 N N 1.679 120.374 118.700 -0.009 0.000 2.851 457 N HA 0.126 4.866 4.740 -0.001 0.000 0.248 457 N C 1.424 176.927 175.510 -0.012 0.000 1.221 457 N CA -0.459 52.585 53.050 -0.011 0.000 0.847 457 N CB 1.287 39.767 38.487 -0.012 0.000 1.150 457 N HN 0.534 nan 8.380 nan 0.000 0.507 458 Q N 0.277 120.069 119.800 -0.012 0.000 2.036 458 Q HA 0.042 4.381 4.340 -0.001 0.000 0.195 458 Q C 0.328 176.317 176.000 -0.017 0.000 0.971 458 Q CA 0.844 56.639 55.803 -0.013 0.000 0.826 458 Q CB -0.074 28.658 28.738 -0.011 0.000 0.896 458 Q HN 0.337 nan 8.270 nan 0.000 0.449 459 S N -1.046 114.642 115.700 -0.020 0.000 2.596 459 S HA 0.787 5.256 4.470 -0.001 0.000 0.270 459 S C -1.018 173.563 174.600 -0.032 0.000 1.155 459 S CA -1.006 57.177 58.200 -0.027 0.000 0.827 459 S CB 3.083 66.268 63.200 -0.025 0.000 1.130 459 S HN 0.422 nan 8.310 nan 0.000 0.467 460 R N 0.216 120.687 120.500 -0.048 0.000 2.687 460 R HA 0.414 4.754 4.340 -0.001 0.000 0.265 460 R C -2.097 174.140 176.300 -0.105 0.000 1.048 460 R CA -0.768 55.297 56.100 -0.058 0.000 0.884 460 R CB 1.009 31.279 30.300 -0.050 0.000 1.258 460 R HN 0.781 nan 8.270 nan 0.000 0.469 461 L N 5.141 126.291 121.223 -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 0.850 42.816 42.059 -0.154 0.000 1.206 461 L HN 0.345 nan 8.230 nan 0.000 0.429 462 L N 3.666 124.560 121.223 -0.549 0.000 2.365 462 L HA 0.590 4.930 4.340 -0.001 0.000 0.273 462 L C -0.921 175.562 176.870 -0.645 0.000 1.000 462 L CA -0.459 54.117 54.840 -0.441 0.000 0.819 462 L CB 1.965 43.905 42.059 -0.198 0.000 1.284 462 L HN 0.303 nan 8.230 nan 0.000 0.418 463 F N 0.300 120.214 119.950 -0.060 0.000 2.520 463 F HA 0.518 5.045 4.527 -0.001 0.000 0.322 463 F C 0.318 176.069 175.800 -0.081 0.000 1.103 463 F CA -0.527 57.424 58.000 -0.083 0.000 0.926 463 F CB 2.229 41.204 39.000 -0.042 0.000 1.154 463 F HN 0.265 nan 8.300 nan 0.000 0.453 464 S N 1.565 117.157 115.700 -0.180 0.000 2.503 464 S HA 0.308 4.778 4.470 -0.001 0.000 0.301 464 S C -0.825 173.512 174.600 -0.439 0.000 1.087 464 S CA -0.802 57.228 58.200 -0.284 0.000 1.042 464 S CB 1.665 64.617 63.200 -0.413 0.000 1.043 464 S HN 0.658 nan 8.310 nan 0.000 0.489 465 Q N 2.382 121.964 119.800 -0.364 0.000 2.286 465 Q HA 0.530 4.869 4.340 -0.001 0.000 0.257 465 Q C -0.179 175.700 176.000 -0.201 0.000 0.941 465 Q CA -0.708 54.651 55.803 -0.741 0.000 0.912 465 Q CB 0.789 28.968 28.738 -0.931 0.000 1.192 465 Q HN 0.759 nan 8.270 nan 0.000 0.410 466 A N 3.163 125.959 122.820 -0.041 0.000 2.565 466 A HA 0.460 4.779 4.320 -0.001 0.000 0.237 466 A C 0.313 177.899 177.584 0.003 0.000 1.053 466 A CA 0.764 52.872 52.037 0.119 0.000 0.755 466 A CB 0.038 19.047 19.000 0.015 0.000 0.980 466 A HN 0.863 nan 8.150 nan 0.000 0.506 467 G N 1.152 109.970 108.800 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 -2.373 172.521 174.900 -0.011 0.000 1.341 467 G CA -1.168 43.931 45.100 -0.001 0.000 0.916 467 G HN 0.302 nan 8.290 nan 0.000 0.474 468 P HA -0.109 nan 4.420 nan 0.000 0.221 468 P C 1.578 178.870 177.300 -0.012 0.000 1.145 468 P CA 1.120 64.210 63.100 -0.017 0.000 0.795 468 P CB 0.331 32.025 31.700 -0.011 0.000 0.775 469 Q N -0.248 119.550 119.800 -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 1.558 57.363 55.803 0.003 0.000 0.828 469 Q CB -0.774 27.974 28.738 0.015 0.000 0.894 469 Q HN 0.295 nan 8.270 nan 0.000 0.432 470 S N 0.336 116.042 115.700 0.009 0.000 3.864 470 S HA 0.130 4.599 4.470 -0.001 0.000 0.202 470 S C 0.993 175.544 174.600 -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 63.052 63.200 0.046 0.000 1.383 470 S HN 0.246 nan 8.310 nan 0.000 0.458 471 M N 2.110 121.672 119.600 -0.062 0.000 2.319 471 M HA -0.061 4.419 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 1.349 56.608 55.300 -0.067 0.000 1.118 471 M CB -0.040 32.535 32.600 -0.043 0.000 1.395 471 M HN 0.684 nan 8.290 nan 0.000 0.435 472 S N -1.142 114.498 115.700 -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 57.591 58.200 -0.109 0.000 0.977 472 S CB -0.158 62.993 63.200 -0.081 0.000 0.814 472 S HN 0.544 nan 8.310 nan 0.000 0.464 473 L N -0.227 120.847 121.223 -0.247 0.000 2.840 473 L HA 0.315 4.654 4.340 -0.001 0.000 0.249 473 L C 0.633 177.219 176.870 -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 1.350 120.961 119.800 -0.315 0.000 2.428 474 Q HA 0.278 4.618 4.340 -0.001 0.000 0.276 474 Q C 0.508 176.410 176.000 -0.164 0.000 1.059 474 Q CA -0.094 55.578 55.803 -0.218 0.000 0.923 474 Q CB 0.838 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 2.077 124.824 122.820 -0.122 0.000 2.531 475 A HA 0.154 4.474 4.320 -0.001 0.000 0.236 475 A C 0.036 177.546 177.584 -0.124 0.000 1.062 475 A CA 0.264 52.239 52.037 -0.103 0.000 0.760 475 A CB 0.281 19.228 19.000 -0.090 0.000 0.995 475 A HN 0.604 nan 8.150 nan 0.000 0.501 476 R N 0.325 120.751 120.500 -0.123 0.000 2.892 476 R HA 0.483 4.823 4.340 -0.001 0.000 0.265 476 R C 0.348 176.510 176.300 -0.230 0.000 1.025 476 R CA -0.604 55.410 56.100 -0.142 0.000 0.982 476 R CB 1.043 31.288 30.300 -0.092 0.000 1.185 476 R HN 0.732 nan 8.270 nan 0.000 0.484 477 N N -0.449 118.028 118.700 -0.371 0.000 2.332 477 N HA 0.174 4.914 4.740 -0.001 0.000 0.190 477 N C -0.966 173.995 175.510 -0.914 0.000 1.117 477 N CA 0.347 52.927 53.050 -0.783 0.000 0.883 477 N CB 0.472 38.269 38.487 -1.150 0.000 1.089 477 N HN 0.361 nan 8.380 nan 0.000 0.480 478 W N 0.167 121.469 121.300 0.004 0.000 2.975 478 W HA 0.590 5.250 4.660 -0.001 0.000 0.342 478 W C -0.609 175.927 176.519 0.027 0.000 1.168 478 W CA -0.816 56.540 57.345 0.019 0.000 1.141 478 W CB 0.832 30.296 29.460 0.007 0.000 1.445 478 W HN -0.354 nan 8.180 nan 0.000 0.560 479 L N 1.942 123.359 121.223 0.323 0.000 2.322 479 L HA 0.626 4.965 4.340 -0.001 0.000 0.269 479 L C -2.103 174.894 176.870 0.213 0.000 1.012 479 L CA -2.807 52.163 54.840 0.217 0.000 0.815 479 L CB 0.577 42.767 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 -0.345 62.850 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 0.593 109.538 108.800 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 -0.930 44.275 45.100 0.175 0.000 0.934 481 G HN 0.363 nan 8.290 nan 0.000 0.534 482 P HA 0.263 nan 4.420 nan 0.000 0.274 482 P C -0.041 177.199 177.300 -0.100 0.000 1.260 482 P CA -0.115 62.863 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 -0.822 118.406 119.300 -0.119 0.000 3.239 483 C HA 0.694 5.154 4.460 -0.001 0.000 0.317 483 C C -1.679 173.344 174.990 0.056 0.000 1.310 483 C CA -0.731 58.289 59.018 0.003 0.000 1.371 483 C CB 0.694 28.500 27.740 0.110 0.000 1.714 483 C HN 0.617 nan 8.230 nan 0.000 0.473 484 Y N 1.929 122.199 120.300 -0.049 0.000 2.484 484 Y HA 0.483 5.033 4.550 -0.001 0.000 0.348 484 Y C 0.416 176.310 175.900 -0.011 0.000 1.103 484 Y CA -0.313 57.764 58.100 -0.038 0.000 1.317 484 Y CB 0.434 38.877 38.460 -0.028 0.000 1.096 484 Y HN 1.034 nan 8.280 nan 0.000 0.568 485 R N 3.692 124.104 120.500 -0.146 0.000 2.500 485 R HA -0.001 4.339 4.340 -0.001 0.000 0.281 485 R C -0.383 175.871 176.300 -0.077 0.000 0.953 485 R CA 0.787 56.831 56.100 -0.093 0.000 1.108 485 R CB 0.502 30.730 30.300 -0.120 0.000 0.901 485 R HN 0.614 nan 8.270 nan 0.000 0.410 486 Q N 2.158 121.938 119.800 -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 -0.858 54.913 55.803 -0.055 0.000 0.885 486 Q CB 1.626 30.318 28.738 -0.076 0.000 1.311 486 Q HN 0.504 nan 8.270 nan 0.000 0.461 487 Q N 1.138 120.894 119.800 -0.074 0.000 2.340 487 Q HA 0.152 4.491 4.340 -0.001 0.000 0.249 487 Q C -0.816 175.149 176.000 -0.058 0.000 0.957 487 Q CA 0.160 55.944 55.803 -0.031 0.000 0.882 487 Q CB 0.764 29.542 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 -0.447 55.618 56.100 -0.058 0.000 0.957 488 R CB 0.356 30.598 30.300 -0.095 0.000 1.022 488 R HN 0.526 nan 8.270 nan 0.000 0.461 489 L N 1.778 122.890 121.223 -0.185 0.000 2.341 489 L HA 0.433 4.773 4.340 -0.001 0.000 0.267 489 L C -0.250 176.515 176.870 -0.176 0.000 1.009 489 L CA -0.183 54.486 54.840 -0.285 0.000 0.819 489 L CB 2.020 43.578 42.059 -0.835 0.000 1.323 489 L HN 0.574 nan 8.230 nan 0.000 0.425 490 S N 0.099 115.765 115.700 -0.057 0.000 2.537 490 S HA 0.455 4.925 4.470 -0.001 0.000 0.301 490 S C 0.743 175.342 174.600 -0.002 0.000 1.092 490 S CA -0.570 57.521 58.200 -0.181 0.000 1.048 490 S CB 1.106 64.140 63.200 -0.277 0.000 1.053 490 S HN 0.641 nan 8.310 nan 0.000 0.501 491 K N 1.114 121.519 120.400 0.007 0.000 2.296 491 K HA 0.031 4.351 4.320 -0.001 0.000 0.200 491 K C 0.196 176.803 176.600 0.012 0.000 1.048 491 K CA 0.732 57.070 56.287 0.086 0.000 0.966 491 K CB -0.204 32.316 32.500 0.034 0.000 0.754 491 K HN 0.541 nan 8.250 nan 0.000 0.466 492 T N 1.753 116.278 114.554 -0.048 0.000 2.727 492 T HA 0.215 4.564 4.350 -0.001 0.000 0.295 492 T C 0.497 175.197 174.700 -0.000 0.000 0.915 492 T CA -0.365 61.715 62.100 -0.033 0.000 1.066 492 T CB 1.295 70.128 68.868 -0.059 0.000 0.891 492 T HN 0.119 nan 8.240 nan 0.000 0.516 493 A N 3.938 126.769 122.820 0.018 0.000 2.190 493 A HA 0.067 4.387 4.320 -0.001 0.000 0.226 493 A C 1.518 179.123 177.584 0.037 0.000 1.402 493 A CA -0.082 51.978 52.037 0.037 0.000 1.288 493 A CB -0.800 18.221 19.000 0.035 0.000 0.833 493 A HN 0.956 nan 8.150 nan 0.000 0.564 494 N N -2.557 116.161 118.700 0.030 0.000 1.952 494 N HA -0.033 4.706 4.740 -0.001 0.000 0.228 494 N C -0.516 175.016 175.510 0.036 0.000 1.398 494 N CA 0.181 53.249 53.050 0.031 0.000 0.817 494 N CB 0.111 38.609 38.487 0.019 0.000 1.101 494 N HN 0.141 nan 8.380 nan 0.000 0.498 495 D N 0.853 121.278 120.400 0.041 0.000 2.323 495 D HA 0.092 4.732 4.640 -0.001 0.000 0.209 495 D C 0.096 176.446 176.300 0.083 0.000 0.973 495 D CA 0.539 54.578 54.000 0.066 0.000 0.874 495 D CB 0.051 40.898 40.800 0.078 0.000 0.930 495 D HN 0.251 nan 8.370 nan 0.000 0.521 496 N N 1.059 119.811 118.700 0.087 0.000 2.463 496 N HA 0.033 4.773 4.740 -0.001 0.000 0.270 496 N C 0.068 175.615 175.510 0.061 0.000 1.205 496 N CA -0.333 52.781 53.050 0.107 0.000 0.974 496 N CB 0.443 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 4.640 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 0.279 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 1.634 120.349 118.700 0.024 0.000 3.210 498 N HA -0.023 4.717 4.740 -0.001 0.000 0.314 498 N C -0.846 174.705 175.510 0.068 0.000 1.291 498 N CA -0.276 52.806 53.050 0.054 0.000 1.202 498 N CB -0.031 38.475 38.487 0.032 0.000 1.475 498 N HN 0.475 nan 8.380 nan 0.000 0.554 499 S N 0.038 115.812 115.700 0.124 0.000 2.661 499 S HA 0.294 4.764 4.470 -0.001 0.000 0.285 499 S C -0.774 174.021 174.600 0.324 0.000 1.138 499 S CA -1.076 57.222 58.200 0.164 0.000 0.855 499 S CB 1.605 64.861 63.200 0.094 0.000 1.136 499 S HN 0.240 nan 8.310 nan 0.000 0.484 500 N N 0.742 119.597 118.700 0.259 0.000 2.699 500 N HA 0.420 5.160 4.740 -0.001 0.000 0.232 500 N C -0.602 175.062 175.510 0.258 0.000 1.027 500 N CA -1.037 52.140 53.050 0.212 0.000 0.920 500 N CB -0.284 38.269 38.487 0.110 0.000 1.148 500 N HN 0.679 nan 8.380 nan 0.000 0.509 501 F N 1.166 121.157 119.950 0.070 0.000 2.791 501 F HA 0.573 5.100 4.527 -0.001 0.000 0.308 501 F C -1.842 174.021 175.800 0.105 0.000 1.138 501 F CA -1.608 56.438 58.000 0.077 0.000 1.294 501 F CB 0.667 39.691 39.000 0.039 0.000 0.975 501 F HN 0.191 nan 8.300 nan 0.000 0.512 502 P HA -0.076 nan 4.420 nan 0.000 0.242 502 P C 0.779 178.185 177.300 0.178 0.000 1.197 502 P CA 1.107 64.161 63.100 -0.077 0.000 0.765 502 P CB -0.052 31.614 31.700 -0.056 0.000 0.936 503 W N -0.284 121.021 121.300 0.009 0.000 3.792 503 W HA 0.021 4.680 4.660 -0.001 0.000 0.217 503 W C 0.910 177.463 176.519 0.057 0.000 1.098 503 W CA 0.845 58.205 57.345 0.025 0.000 1.657 503 W CB -0.117 29.343 29.460 -0.000 0.000 0.773 503 W HN -0.099 nan 8.180 nan 0.000 0.836 504 T N -0.483 114.131 114.554 0.099 0.000 3.055 504 T HA 0.223 4.573 4.350 -0.001 0.000 0.265 504 T C 1.354 176.050 174.700 -0.008 0.000 1.111 504 T CA 1.131 63.228 62.100 -0.005 0.000 1.118 504 T CB 0.042 68.985 68.868 0.126 0.000 0.909 504 T HN 0.087 nan 8.240 nan 0.000 0.501 505 A N 0.234 123.108 122.820 0.090 0.000 2.545 505 A HA 0.835 5.154 4.320 -0.001 0.000 0.263 505 A C 0.998 178.647 177.584 0.108 0.000 1.202 505 A CA -0.074 52.037 52.037 0.124 0.000 0.959 505 A CB 0.097 19.263 19.000 0.276 0.000 1.124 505 A HN 0.633 nan 8.150 nan 0.000 0.543 506 A N -0.008 122.848 122.820 0.060 0.000 2.279 506 A HA 0.670 4.990 4.320 -0.001 0.000 0.303 506 A C 0.376 177.996 177.584 0.061 0.000 1.108 506 A CA -0.244 51.856 52.037 0.106 0.000 0.830 506 A CB 0.380 19.525 19.000 0.241 0.000 1.106 506 A HN 0.239 nan 8.150 nan 0.000 0.493 507 S N 0.791 116.582 115.700 0.152 0.000 2.549 507 S HA 0.453 4.922 4.470 -0.001 0.000 0.279 507 S C 0.007 174.736 174.600 0.216 0.000 1.321 507 S CA -0.221 58.098 58.200 0.198 0.000 1.054 507 S CB 0.174 63.554 63.200 0.300 0.000 0.899 507 S HN 0.668 nan 8.310 nan 0.000 0.497 508 K N 1.142 121.647 120.400 0.175 0.000 2.571 508 K HA 0.581 4.900 4.320 -0.001 0.000 0.289 508 K C -1.610 175.077 176.600 0.144 0.000 1.028 508 K CA -1.049 55.261 56.287 0.039 0.000 0.895 508 K CB 1.159 33.526 32.500 -0.222 0.000 1.534 508 K HN 0.582 nan 8.250 nan 0.000 0.421 509 Y N -1.674 118.651 120.300 0.041 0.000 2.638 509 Y HA 0.620 5.170 4.550 -0.001 0.000 0.339 509 Y C -1.095 174.879 175.900 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 40.085 38.460 -0.028 0.000 1.294 509 Y HN 0.749 nan 8.280 nan 0.000 0.480 510 H N 1.949 121.173 119.070 0.256 0.000 2.877 510 H HA 0.549 5.105 4.556 -0.001 0.000 0.347 510 H C -2.366 173.099 175.328 0.229 0.000 1.042 510 H CA -1.049 55.091 56.048 0.153 0.000 1.276 510 H CB 1.572 31.378 29.762 0.073 0.000 1.681 510 H HN 0.880 nan 8.280 nan 0.000 0.521 511 L N 4.173 125.480 121.223 0.141 0.000 2.305 511 L HA 0.184 4.524 4.340 -0.001 0.000 0.284 511 L C 0.399 177.340 176.870 0.117 0.000 1.013 511 L CA -0.646 54.233 54.840 0.065 0.000 0.819 511 L CB 1.073 43.230 42.059 0.164 0.000 1.227 511 L HN 0.866 nan 8.230 nan 0.000 0.417 512 N N 3.171 121.921 118.700 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 -0.767 37.782 38.487 0.104 0.000 0.979 512 N HN 1.059 nan 8.380 nan 0.000 0.550 513 G N 0.004 109.016 108.800 0.354 0.000 2.273 513 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.280 513 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.280 513 G C -0.106 174.928 174.900 0.224 0.000 1.047 513 G CA 0.594 45.874 45.100 0.300 0.000 0.869 513 G HN 0.750 nan 8.290 nan 0.000 0.502 514 R N 0.398 121.064 120.500 0.278 0.000 2.507 514 R HA 0.280 4.619 4.340 -0.001 0.000 0.298 514 R C -1.118 175.293 176.300 0.185 0.000 1.087 514 R CA -0.835 55.383 56.100 0.197 0.000 0.917 514 R CB 0.793 31.195 30.300 0.169 0.000 1.173 514 R HN 0.133 nan 8.270 nan 0.000 0.472 515 D N 1.972 122.476 120.400 0.173 0.000 2.417 515 D HA 0.097 4.736 4.640 -0.001 0.000 0.250 515 D C -0.607 175.726 176.300 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 1.633 117.156 115.700 -0.295 0.000 2.521 516 S HA 0.301 4.771 4.470 -0.001 0.000 0.295 516 S C -0.376 173.954 174.600 -0.450 0.000 1.098 516 S CA -0.763 57.189 58.200 -0.412 0.000 0.999 516 S CB 1.813 64.574 63.200 -0.731 0.000 1.034 516 S HN 0.295 nan 8.310 nan 0.000 0.483 517 L N 4.051 125.183 121.223 -0.152 0.000 2.418 517 L HA 0.307 4.647 4.340 -0.001 0.000 0.274 517 L C -0.241 176.573 176.870 -0.093 0.000 1.135 517 L CA 0.178 54.942 54.840 -0.127 0.000 0.870 517 L CB 0.529 42.534 42.059 -0.091 0.000 1.154 517 L HN 0.505 nan 8.230 nan 0.000 0.462 518 V N 6.865 126.792 119.914 0.022 0.000 2.070 518 V HA -0.003 4.117 4.120 -0.001 0.000 0.239 518 V C 1.368 177.555 176.094 0.156 0.000 1.472 518 V CA 0.121 62.516 62.300 0.159 0.000 1.453 518 V CB -0.959 30.981 31.823 0.195 0.000 1.503 518 V HN 0.914 nan 8.190 nan 0.000 0.501 519 N N 5.278 123.990 118.700 0.021 0.000 2.030 519 N HA -0.026 4.713 4.740 -0.001 0.000 0.194 519 N C -1.897 173.768 175.510 0.259 0.000 1.074 519 N CA 1.072 54.147 53.050 0.041 0.000 0.860 519 N CB -0.433 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 -0.455 176.922 177.300 0.127 0.000 1.340 520 P CA -0.346 62.842 63.100 0.147 0.000 0.799 520 P CB 1.217 32.983 31.700 0.110 0.000 0.917 521 G N 4.838 113.720 108.800 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 43.480 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 -0.152 177.172 177.300 0.039 0.000 1.205 522 P CA 0.162 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 3.470 126.317 122.820 0.045 0.000 2.496 523 A HA 0.307 4.626 4.320 -0.001 0.000 0.278 523 A C 0.112 177.741 177.584 0.074 0.000 1.137 523 A CA 0.510 52.600 52.037 0.088 0.000 0.805 523 A CB -1.037 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 2.249 121.897 119.600 0.081 0.000 2.518 524 M HA 0.555 5.034 4.480 -0.001 0.000 0.300 524 M C 0.269 176.611 176.300 0.070 0.000 1.175 524 M CA -0.433 54.911 55.300 0.073 0.000 0.890 524 M CB 2.295 34.939 32.600 0.074 0.000 1.710 524 M HN 0.679 nan 8.290 nan 0.000 0.453 525 A N 1.107 123.955 122.820 0.047 0.000 2.445 525 A HA 0.328 4.648 4.320 -0.001 0.000 0.242 525 A C 0.770 178.374 177.584 0.033 0.000 1.075 525 A CA -0.170 51.878 52.037 0.018 0.000 0.777 525 A CB 0.219 19.203 19.000 -0.026 0.000 1.013 525 A HN 0.935 nan 8.150 nan 0.000 0.493 526 S N 0.459 116.180 115.700 0.035 0.000 2.395 526 S HA 0.040 4.509 4.470 -0.001 0.000 0.225 526 S C 0.678 175.402 174.600 0.205 0.000 1.027 526 S CA 1.280 59.566 58.200 0.143 0.000 0.965 526 S CB -0.260 63.084 63.200 0.240 0.000 0.812 526 S HN 0.951 nan 8.310 nan 0.000 0.482 527 H N 0.252 119.386 119.070 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 0.972 30.828 29.762 0.156 0.000 1.861 527 H HN 0.087 nan 8.280 nan 0.000 0.546 528 K N 0.770 121.268 120.400 0.162 0.000 2.179 528 K HA 0.225 4.544 4.320 -0.001 0.000 0.238 528 K C -0.602 176.101 176.600 0.172 0.000 1.033 528 K CA -0.775 55.564 56.287 0.086 0.000 0.926 528 K CB 0.651 33.180 32.500 0.048 0.000 1.151 528 K HN 0.326 nan 8.250 nan 0.000 0.492 529 D N 1.270 121.730 120.400 0.100 0.000 2.449 529 D HA -0.017 4.623 4.640 -0.001 0.000 0.236 529 D C -0.423 175.953 176.300 0.128 0.000 1.149 529 D CA 0.938 55.005 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 -0.445 40.397 40.800 0.070 0.000 1.060 530 D HN 0.587 nan 8.370 nan 0.000 0.429 531 E N -0.719 119.558 120.200 0.129 0.000 3.470 531 E HA 0.092 4.441 4.350 -0.001 0.000 0.220 531 E C 0.647 177.204 176.600 -0.071 0.000 1.260 531 E CA -0.085 56.384 56.400 0.115 0.000 1.240 531 E CB 0.406 30.257 29.700 0.252 0.000 2.780 531 E HN 0.049 nan 8.360 nan 0.000 0.573 532 E N 0.758 120.714 120.200 -0.407 0.000 3.916 532 E HA -0.264 4.085 4.350 -0.001 0.000 0.331 532 E C 0.770 177.154 176.600 -0.361 0.000 0.729 532 E CA 1.787 57.718 56.400 -0.782 0.000 1.222 532 E CB -1.044 28.456 29.700 -0.333 0.000 1.633 532 E HN 0.318 nan 8.360 nan 0.000 0.437 533 K N -0.982 119.284 120.400 -0.224 0.000 2.399 533 K HA 0.176 4.496 4.320 -0.001 0.000 0.196 533 K C 0.134 176.593 176.600 -0.234 0.000 1.103 533 K CA 0.116 56.261 56.287 -0.236 0.000 0.986 533 K CB 0.262 32.554 32.500 -0.347 0.000 0.952 533 K HN 0.053 nan 8.250 nan 0.000 0.541 534 F N 3.006 122.967 119.950 0.019 0.000 2.404 534 F HA 0.313 4.840 4.527 -0.001 0.000 0.358 534 F C -0.170 175.706 175.800 0.126 0.000 1.120 534 F CA -1.336 56.687 58.000 0.038 0.000 1.144 534 F CB 0.672 39.677 39.000 0.010 0.000 1.133 534 F HN -0.000 nan 8.300 nan 0.000 0.495 535 F N 3.249 123.307 119.950 0.180 0.000 2.508 535 F HA 0.801 5.327 4.527 -0.001 0.000 0.325 535 F C -3.118 172.750 175.800 0.113 0.000 1.090 535 F CA -3.843 54.239 58.000 0.137 0.000 0.945 535 F CB 0.773 39.818 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 -0.268 176.991 177.300 -0.068 0.000 1.204 536 P CA -0.213 62.883 63.100 -0.007 0.000 0.768 536 P CB 0.639 32.374 31.700 0.058 0.000 0.842 537 M N 5.645 125.111 119.600 -0.223 0.000 2.861 537 M HA -0.073 4.407 4.480 -0.001 0.000 0.347 537 M C 1.082 177.094 176.300 -0.479 0.000 1.791 537 M CA 0.814 55.960 55.300 -0.257 0.000 1.332 537 M CB -1.408 31.036 32.600 -0.260 0.000 2.040 537 M HN 0.605 nan 8.290 nan 0.000 0.463 538 H N 0.844 120.032 119.070 0.197 0.000 2.884 538 H HA -0.197 4.358 4.556 -0.001 0.000 0.289 538 H C 0.507 175.913 175.328 0.130 0.000 1.142 538 H CA 0.584 56.722 56.048 0.149 0.000 1.158 538 H CB -2.175 27.643 29.762 0.094 0.000 1.325 538 H HN 0.879 nan 8.280 nan 0.000 0.366 539 G N 0.920 109.756 108.800 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 0.408 45.564 45.100 0.094 0.000 0.846 539 G HN 0.918 nan 8.290 nan 0.000 0.516 540 N N -1.205 117.587 118.700 0.153 0.000 3.046 540 N HA 0.243 4.982 4.740 -0.001 0.000 0.243 540 N C -1.616 173.912 175.510 0.031 0.000 1.452 540 N CA -0.871 52.245 53.050 0.110 0.000 0.882 540 N CB 0.942 39.498 38.487 0.116 0.000 1.425 540 N HN -0.189 nan 8.380 nan 0.000 0.517 541 L N 0.397 121.598 121.223 -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 -0.044 54.664 54.840 -0.220 0.000 0.816 541 L CB 0.321 42.234 42.059 -0.243 0.000 1.129 541 L HN 0.515 nan 8.230 nan 0.000 0.448 542 I N 2.795 123.067 120.570 -0.498 0.000 2.499 542 I HA 0.358 4.527 4.170 -0.001 0.000 0.288 542 I C -0.998 174.807 176.117 -0.519 0.000 1.048 542 I CA -0.386 60.659 61.300 -0.425 0.000 1.062 542 I CB 1.474 39.337 38.000 -0.227 0.000 1.238 542 I HN 0.295 nan 8.210 nan 0.000 0.426 543 F N 2.918 122.821 119.950 -0.079 0.000 2.443 543 F HA 0.617 5.144 4.527 -0.001 0.000 0.335 543 F C 0.993 176.759 175.800 -0.058 0.000 1.104 543 F CA -0.736 57.233 58.000 -0.053 0.000 1.013 543 F CB 1.849 40.820 39.000 -0.048 0.000 1.136 543 F HN 0.409 nan 8.300 nan 0.000 0.470 544 G N 2.753 111.638 108.800 0.141 0.000 2.353 544 G HA2 0.342 4.301 3.960 -0.001 0.000 0.284 544 G HA3 0.342 4.301 3.960 -0.001 0.000 0.284 544 G C -0.502 174.420 174.900 0.036 0.000 1.172 544 G CA -0.715 44.418 45.100 0.055 0.000 0.854 544 G HN 0.559 nan 8.290 nan 0.000 0.485 545 K N 0.695 121.092 120.400 -0.004 0.000 2.285 545 K HA 0.032 4.352 4.320 -0.001 0.000 0.255 545 K C 0.307 176.883 176.600 -0.040 0.000 1.000 545 K CA -0.079 56.184 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 0.533 120.692 120.200 -0.069 0.000 2.351 546 E HA 0.099 4.449 4.350 -0.001 0.000 0.266 546 E C -0.296 176.278 176.600 -0.043 0.000 1.031 546 E CA 0.975 57.340 56.400 -0.058 0.000 0.911 546 E CB 0.115 29.759 29.700 -0.093 0.000 0.986 546 E HN 0.630 nan 8.360 nan 0.000 0.446 547 G N 3.685 112.471 108.800 -0.023 0.000 2.694 547 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.247 547 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.247 547 G C -0.410 174.479 174.900 -0.020 0.000 0.989 547 G CA 0.093 45.182 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 0.460 4.809 4.350 -0.001 0.000 0.343 548 T C 0.348 175.043 174.700 -0.009 0.000 1.126 548 T CA -0.089 62.002 62.100 -0.014 0.000 1.092 548 T CB 1.179 70.037 68.868 -0.017 0.000 1.160 548 T HN 0.794 nan 8.240 nan 0.000 0.469 549 T N 2.510 117.057 114.554 -0.011 0.000 2.939 549 T HA 0.168 4.518 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 0.475 69.335 68.868 -0.012 0.000 1.035 549 T HN 0.768 nan 8.240 nan 0.000 0.538 550 A N 2.518 125.333 122.820 -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 0.263 52.293 52.037 -0.011 0.000 0.761 550 A CB 0.162 19.158 19.000 -0.007 0.000 0.801 550 A HN 0.608 nan 8.150 nan 0.000 0.473 551 S N 0.142 115.831 115.700 -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 -0.703 57.484 58.200 -0.022 0.000 1.096 551 S CB -0.302 62.885 63.200 -0.022 0.000 0.988 551 S HN 0.539 nan 8.310 nan 0.000 0.466 552 N N 2.266 120.953 118.700 -0.022 0.000 2.620 552 N HA -0.202 4.537 4.740 -0.001 0.000 0.293 552 N C -0.499 175.001 175.510 -0.017 0.000 1.178 552 N CA 0.662 53.701 53.050 -0.018 0.000 0.750 552 N CB -0.418 38.059 38.487 -0.017 0.000 0.949 552 N HN 0.670 nan 8.380 nan 0.000 0.555 553 A N 1.218 124.027 122.820 -0.018 0.000 2.306 553 A HA 0.577 4.897 4.320 -0.001 0.000 0.330 553 A C 0.321 177.893 177.584 -0.020 0.000 1.146 553 A CA -0.548 51.478 52.037 -0.019 0.000 0.827 553 A CB 1.027 20.014 19.000 -0.021 0.000 1.178 553 A HN 0.497 nan 8.150 nan 0.000 0.490 554 E N 0.122 120.310 120.200 -0.020 0.000 2.408 554 E HA 0.179 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 2.443 123.650 121.223 -0.027 0.000 2.265 555 L HA -0.106 4.234 4.340 -0.001 0.000 0.215 555 L C 0.762 177.600 176.870 -0.053 0.000 1.117 555 L CA 1.799 56.612 54.840 -0.044 0.000 0.782 555 L CB -0.091 41.951 42.059 -0.030 0.000 0.914 555 L HN 0.549 nan 8.230 nan 0.000 0.441 556 D N -0.708 119.668 120.400 -0.041 0.000 2.349 556 D HA -0.037 4.602 4.640 -0.001 0.000 0.224 556 D C 0.920 177.193 176.300 -0.045 0.000 1.029 556 D CA 0.327 54.301 54.000 -0.043 0.000 0.879 556 D CB -0.007 40.772 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 0.240 175.726 175.510 -0.041 0.000 1.128 557 N CA 0.068 53.094 53.050 -0.041 0.000 0.867 557 N CB 1.605 40.072 38.487 -0.033 0.000 0.996 557 N HN 0.098 nan 8.380 nan 0.000 0.503 558 V N -2.121 117.762 119.914 -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 -0.980 61.289 62.300 -0.051 0.000 1.026 558 V CB 2.446 34.226 31.823 -0.072 0.000 1.080 558 V HN -0.185 nan 8.190 nan 0.000 0.444 559 M N 2.837 122.418 119.600 -0.032 0.000 2.085 559 M HA 0.585 5.065 4.480 -0.001 0.000 0.309 559 M C -1.019 175.248 176.300 -0.056 0.000 0.947 559 M CA -0.134 55.153 55.300 -0.022 0.000 0.918 559 M CB 1.674 34.300 32.600 0.043 0.000 1.504 559 M HN 0.554 nan 8.290 nan 0.000 0.420 560 I N 2.353 122.850 120.570 -0.121 0.000 2.428 560 I HA 0.370 4.540 4.170 -0.001 0.000 0.296 560 I C 0.587 176.641 176.117 -0.104 0.000 0.985 560 I CA -0.681 60.511 61.300 -0.179 0.000 1.260 560 I CB 1.800 39.601 38.000 -0.333 0.000 1.389 560 I HN 0.604 nan 8.210 nan 0.000 0.484 561 T N 0.295 114.782 114.554 -0.110 0.000 2.767 561 T HA 0.308 4.657 4.350 -0.001 0.000 0.288 561 T C -0.554 174.181 174.700 0.059 0.000 0.963 561 T CA -0.847 61.202 62.100 -0.085 0.000 1.019 561 T CB 1.465 70.164 68.868 -0.281 0.000 0.923 561 T HN 0.372 nan 8.240 nan 0.000 0.468 562 D N 2.169 122.648 120.400 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 53.697 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 0.453 nan 8.370 nan 0.000 0.477 563 E N 3.263 123.567 120.200 0.173 0.000 2.360 563 E HA 0.062 4.411 4.350 -0.001 0.000 0.253 563 E C 0.073 176.691 176.600 0.031 0.000 1.189 563 E CA -0.045 56.434 56.400 0.132 0.000 1.252 563 E CB 0.327 30.111 29.700 0.140 0.000 1.408 563 E HN 0.651 nan 8.360 nan 0.000 0.464 564 E N -0.355 119.846 120.200 0.003 0.000 2.501 564 E HA 0.098 4.448 4.350 -0.001 0.000 0.200 564 E C 0.302 176.869 176.600 -0.054 0.000 1.016 564 E CA 0.035 56.377 56.400 -0.097 0.000 0.921 564 E CB 0.297 29.904 29.700 -0.156 0.000 1.034 564 E HN -0.001 nan 8.360 nan 0.000 0.468 565 E N 1.086 121.266 120.200 -0.032 0.000 2.340 565 E HA 0.081 4.431 4.350 -0.001 0.000 0.194 565 E C 1.705 178.279 176.600 -0.044 0.000 0.996 565 E CA 0.416 56.785 56.400 -0.052 0.000 0.869 565 E CB 0.111 29.762 29.700 -0.082 0.000 0.835 565 E HN 0.533 nan 8.360 nan 0.000 0.493 566 I N -1.892 118.663 120.570 -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 61.179 61.300 0.006 0.000 1.142 566 I CB 0.113 38.126 38.000 0.022 0.000 1.041 566 I HN -0.127 nan 8.210 nan 0.000 0.403 567 R N 1.494 121.991 120.500 -0.006 0.000 2.249 567 R HA -0.093 4.246 4.340 -0.001 0.000 0.230 567 R C 1.996 178.299 176.300 0.005 0.000 1.121 567 R CA 1.913 58.005 56.100 -0.013 0.000 0.997 567 R CB -0.365 29.914 30.300 -0.035 0.000 0.867 567 R HN 0.655 nan 8.270 nan 0.000 0.465 568 T N -3.822 110.747 114.554 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 0.938 63.051 62.100 0.020 0.000 1.088 568 T CB 0.378 69.271 68.868 0.042 0.000 0.934 568 T HN 0.267 nan 8.240 nan 0.000 0.497 569 T N -1.590 112.985 114.554 0.036 0.000 2.964 569 T HA 0.316 4.665 4.350 -0.001 0.000 0.249 569 T C 0.324 175.079 174.700 0.093 0.000 1.000 569 T CA -0.474 61.654 62.100 0.047 0.000 0.992 569 T CB -0.252 68.650 68.868 0.057 0.000 1.087 569 T HN 0.339 nan 8.240 nan 0.000 0.489 570 N N 2.181 120.930 118.700 0.082 0.000 2.319 570 N HA 0.608 5.348 4.740 -0.001 0.000 0.305 570 N C -3.103 172.440 175.510 0.054 0.000 1.103 570 N CA -1.898 51.208 53.050 0.092 0.000 0.815 570 N CB 1.780 40.326 38.487 0.099 0.000 1.288 570 N HN 0.059 nan 8.380 nan 0.000 0.493 571 P HA 0.056 nan 4.420 nan 0.000 0.272 571 P C -0.699 176.625 177.300 0.040 0.000 1.230 571 P CA -0.386 62.739 63.100 0.041 0.000 0.788 571 P CB 0.560 32.335 31.700 0.125 0.000 0.949 572 V N 1.382 121.307 119.914 0.018 0.000 2.614 572 V HA 0.184 4.304 4.120 -0.001 0.000 0.291 572 V C 1.635 177.750 176.094 0.034 0.000 1.049 572 V CA 0.437 62.748 62.300 0.019 0.000 1.038 572 V CB 0.236 32.061 31.823 0.004 0.000 0.980 572 V HN 0.710 nan 8.190 nan 0.000 0.481 573 A N 3.793 126.639 122.820 0.043 0.000 1.902 573 A HA -0.147 4.173 4.320 -0.001 0.000 0.217 573 A C 2.221 179.814 177.584 0.016 0.000 1.181 573 A CA 2.319 54.383 52.037 0.044 0.000 0.623 573 A CB -0.708 18.327 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 0.764 175.438 174.700 -0.044 0.000 1.078 574 T CA 0.427 62.510 62.100 -0.029 0.000 1.135 574 T CB -0.160 68.684 68.868 -0.040 0.000 0.895 574 T HN 0.379 nan 8.240 nan 0.000 0.480 575 E N 2.391 122.572 120.200 -0.031 0.000 2.376 575 E HA 0.211 4.561 4.350 -0.001 0.000 0.254 575 E C 0.557 177.146 176.600 -0.019 0.000 1.213 575 E CA -0.322 56.055 56.400 -0.038 0.000 0.945 575 E CB 0.478 30.156 29.700 -0.036 0.000 1.057 575 E HN 0.758 nan 8.360 nan 0.000 0.479 576 Q N -0.330 119.458 119.800 -0.020 0.000 2.700 576 Q HA -0.013 4.326 4.340 -0.001 0.000 0.191 576 Q C 0.655 176.690 176.000 0.059 0.000 1.134 576 Q CA 0.043 55.852 55.803 0.010 0.000 1.193 576 Q CB 0.164 28.900 28.738 -0.004 0.000 1.250 576 Q HN 0.622 nan 8.270 nan 0.000 0.670 577 Y N -1.286 118.989 120.300 -0.041 0.000 2.351 577 Y HA 0.411 4.961 4.550 -0.001 0.000 0.291 577 Y C 0.635 176.521 175.900 -0.024 0.000 1.153 577 Y CA 1.155 59.236 58.100 -0.030 0.000 1.193 577 Y CB 0.830 39.271 38.460 -0.032 0.000 1.187 577 Y HN 0.802 nan 8.280 nan 0.000 0.524 578 G N -1.195 107.634 108.800 0.048 0.000 2.588 578 G HA2 0.399 4.359 3.960 -0.001 0.000 0.281 578 G HA3 0.399 4.359 3.960 -0.001 0.000 0.281 578 G C -1.456 173.465 174.900 0.035 0.000 1.223 578 G CA -0.365 44.711 45.100 -0.041 0.000 0.871 578 G HN -0.066 nan 8.290 nan 0.000 0.492 579 T N 0.176 114.747 114.554 0.027 0.000 2.879 579 T HA 0.613 4.963 4.350 -0.001 0.000 0.290 579 T C -0.854 173.866 174.700 0.034 0.000 0.993 579 T CA -0.229 61.885 62.100 0.022 0.000 0.975 579 T CB 1.659 70.526 68.868 -0.001 0.000 0.981 579 T HN 0.616 nan 8.240 nan 0.000 0.439 580 V N 2.166 122.099 119.914 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 3.161 125.990 122.820 0.015 0.000 2.322 581 A HA 0.677 4.996 4.320 -0.001 0.000 0.269 581 A C 0.423 178.012 177.584 0.008 0.000 1.094 581 A CA -0.380 51.663 52.037 0.011 0.000 0.807 581 A CB 0.180 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 1.137 119.840 118.700 0.005 0.000 2.604 582 N HA 0.122 4.862 4.740 -0.001 0.000 0.284 582 N C -1.201 174.310 175.510 0.003 0.000 1.716 582 N CA -0.419 52.633 53.050 0.003 0.000 0.859 582 N CB 0.111 38.599 38.487 0.001 0.000 1.403 582 N HN 0.739 nan 8.380 nan 0.000 0.501 583 N N -0.209 118.494 118.700 0.004 0.000 3.355 583 N HA 0.202 4.941 4.740 -0.001 0.000 0.238 583 N C -1.730 173.784 175.510 0.006 0.000 1.466 583 N CA -0.583 52.469 53.050 0.004 0.000 0.882 583 N CB 0.719 39.208 38.487 0.002 0.000 1.406 583 N HN 0.047 nan 8.380 nan 0.000 0.500 584 L N 1.405 122.631 121.223 0.005 0.000 2.417 584 L HA 0.273 4.613 4.340 -0.001 0.000 0.258 584 L C 0.119 176.993 176.870 0.006 0.000 1.088 584 L CA -0.851 53.993 54.840 0.007 0.000 0.975 584 L CB 0.508 42.571 42.059 0.007 0.000 1.341 584 L HN 0.601 nan 8.230 nan 0.000 0.431 585 Q N 2.010 121.813 119.800 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 -0.003 55.803 55.803 0.004 0.000 0.918 585 Q CB 1.137 29.878 28.738 0.004 0.000 1.242 585 Q HN 0.558 nan 8.270 nan 0.000 0.405 586 S N 0.470 116.171 115.700 0.002 0.000 2.757 586 S HA 0.429 4.899 4.470 -0.001 0.000 0.285 586 S C 0.448 175.048 174.600 -0.000 0.000 1.196 586 S CA -0.308 57.893 58.200 0.002 0.000 0.856 586 S CB 0.323 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 -0.092 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 0.417 114.970 114.554 -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 61.293 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 0.624 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 18.737 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 -0.319 176.980 177.300 -0.001 0.000 1.183 591 P CA 0.554 63.654 63.100 -0.000 0.000 0.761 591 P CB 0.276 31.976 31.700 0.001 0.000 0.785 592 T N 2.561 117.115 114.554 -0.001 0.000 2.867 592 T HA 0.409 4.759 4.350 -0.001 0.000 0.282 592 T C 0.175 174.875 174.700 -0.001 0.000 1.000 592 T CA -0.223 61.875 62.100 -0.002 0.000 1.042 592 T CB 0.960 69.826 68.868 -0.003 0.000 0.973 592 T HN 0.235 nan 8.240 nan 0.000 0.465 593 T N 3.350 117.901 114.554 -0.004 0.000 2.824 593 T HA 0.528 4.877 4.350 -0.001 0.000 0.282 593 T C -0.471 174.227 174.700 -0.005 0.000 0.993 593 T CA -0.761 61.337 62.100 -0.003 0.000 0.967 593 T CB 1.118 69.983 68.868 -0.005 0.000 0.960 593 T HN 0.281 nan 8.240 nan 0.000 0.441 594 R N 2.286 122.785 120.500 -0.002 0.000 2.480 594 R HA 0.389 4.729 4.340 -0.001 0.000 0.306 594 R C -0.839 175.461 176.300 0.001 0.000 0.958 594 R CA -0.473 55.624 56.100 -0.004 0.000 0.861 594 R CB 1.458 31.756 30.300 -0.004 0.000 1.171 594 R HN 0.601 nan 8.270 nan 0.000 0.445 595 T N 3.379 117.930 114.554 -0.005 0.000 2.779 595 T HA 0.066 4.416 4.350 -0.001 0.000 0.296 595 T C -0.171 174.533 174.700 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 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.844 125.780 119.914 0.036 0.000 2.408 596 V HA 0.272 4.391 4.120 -0.001 0.000 0.267 596 V C 0.602 176.716 176.094 0.033 0.000 1.047 596 V CA -0.343 61.977 62.300 0.034 0.000 0.937 596 V CB 0.458 32.326 31.823 0.075 0.000 0.999 596 V HN 0.833 nan 8.190 nan 0.000 0.472 597 N N 4.465 123.144 118.700 -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 0.155 53.165 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 0.649 120.962 120.400 -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 -0.254 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 0.095 175.916 176.000 -0.298 0.000 1.023 599 Q CA -0.710 54.834 55.803 -0.432 0.000 0.758 599 Q CB 1.675 29.800 28.738 -1.020 0.000 1.247 599 Q HN 0.529 nan 8.270 nan 0.000 0.455 600 G N 1.995 110.659 108.800 -0.226 0.000 2.441 600 G HA2 0.490 4.450 3.960 -0.001 0.000 0.258 600 G HA3 0.490 4.450 3.960 -0.001 0.000 0.258 600 G C -0.674 174.080 174.900 -0.242 0.000 1.487 600 G CA -0.046 44.923 45.100 -0.218 0.000 1.058 600 G HN 0.793 nan 8.290 nan 0.000 0.552 601 A N -1.269 121.404 122.820 -0.245 0.000 2.306 601 A HA 0.746 5.066 4.320 -0.001 0.000 0.314 601 A C -0.605 176.949 177.584 -0.050 0.000 1.164 601 A CA -0.404 51.519 52.037 -0.189 0.000 0.822 601 A CB 0.787 19.594 19.000 -0.322 0.000 1.130 601 A HN 0.512 nan 8.150 nan 0.000 0.496 602 L N 2.095 123.346 121.223 0.046 0.000 2.422 602 L HA 0.413 4.753 4.340 -0.001 0.000 0.264 602 L C -2.534 174.434 176.870 0.163 0.000 0.984 602 L CA -2.017 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 0.438 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 2.478 111.444 108.800 0.277 0.000 2.253 604 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.209 604 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.209 604 G C 0.223 175.362 174.900 0.397 0.000 0.997 604 G CA -0.529 44.804 45.100 0.389 0.000 0.640 604 G HN 0.437 nan 8.290 nan 0.000 0.496 605 M N 1.501 121.297 119.600 0.327 0.000 2.239 605 M HA 0.478 4.958 4.480 -0.001 0.000 0.348 605 M C 0.696 177.215 176.300 0.365 0.000 1.239 605 M CA 0.213 55.724 55.300 0.353 0.000 1.114 605 M CB 1.278 34.090 32.600 0.353 0.000 1.641 605 M HN 0.591 nan 8.290 nan 0.000 0.453 606 V N 1.207 121.302 119.914 0.303 0.000 2.962 606 V HA 0.949 5.069 4.120 -0.001 0.000 0.313 606 V C -1.535 174.740 176.094 0.303 0.000 1.099 606 V CA -0.653 61.711 62.300 0.106 0.000 0.971 606 V CB 1.861 33.582 31.823 -0.170 0.000 1.028 606 V HN 1.126 nan 8.190 nan 0.000 0.430 607 W N 1.509 122.769 121.300 -0.067 0.000 2.959 607 W HA 0.852 5.511 4.660 -0.001 0.000 0.358 607 W C -1.301 175.191 176.519 -0.045 0.000 1.228 607 W CA -0.761 56.556 57.345 -0.047 0.000 1.183 607 W CB 1.388 30.827 29.460 -0.036 0.000 1.467 607 W HN 0.784 nan 8.180 nan 0.000 0.578 608 Q N 1.172 121.094 119.800 0.203 0.000 2.297 608 Q HA 0.456 4.796 4.340 -0.001 0.000 0.269 608 Q C -1.084 175.037 176.000 0.202 0.000 1.051 608 Q CA -0.319 55.525 55.803 0.068 0.000 0.869 608 Q CB 1.724 30.468 28.738 0.009 0.000 1.346 608 Q HN 0.379 nan 8.270 nan 0.000 0.457 609 D N 0.128 120.586 120.400 0.096 0.000 2.440 609 D HA 0.365 5.005 4.640 -0.001 0.000 0.258 609 D C -0.461 175.908 176.300 0.114 0.000 1.092 609 D CA -0.514 53.587 54.000 0.168 0.000 1.016 609 D CB 0.851 41.758 40.800 0.178 0.000 1.141 609 D HN 0.349 nan 8.370 nan 0.000 0.552 610 R N 0.562 121.152 120.500 0.150 0.000 2.679 610 R HA 0.076 4.415 4.340 -0.001 0.000 0.268 610 R C -0.132 176.260 176.300 0.152 0.000 1.044 610 R CA 0.072 56.261 56.100 0.148 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 0.445 120.898 120.400 0.089 0.000 2.371 611 D HA 0.172 4.812 4.640 -0.001 0.000 0.242 611 D C -0.641 175.495 176.300 -0.273 0.000 1.218 611 D CA -0.192 53.782 54.000 -0.043 0.000 0.945 611 D CB 0.938 41.599 40.800 -0.232 0.000 1.137 611 D HN 0.196 nan 8.370 nan 0.000 0.464 612 V N -0.416 119.226 119.914 -0.454 0.000 2.715 612 V HA 0.616 4.735 4.120 -0.001 0.000 0.310 612 V C -1.147 174.665 176.094 -0.470 0.000 1.054 612 V CA -0.728 61.340 62.300 -0.386 0.000 0.928 612 V CB 1.100 32.690 31.823 -0.388 0.000 1.007 612 V HN 0.455 nan 8.190 nan 0.000 0.437 613 Y N 2.340 122.708 120.300 0.113 0.000 2.509 613 Y HA 0.576 5.126 4.550 -0.001 0.000 0.341 613 Y C 0.815 176.475 175.900 -0.400 0.000 1.038 613 Y CA -0.908 57.197 58.100 0.008 0.000 1.089 613 Y CB 1.792 40.313 38.460 0.101 0.000 1.241 613 Y HN 0.628 nan 8.280 nan 0.000 0.468 614 L N 1.603 122.373 121.223 -0.755 0.000 2.151 614 L HA -0.253 4.086 4.340 -0.001 0.000 0.215 614 L C 1.724 178.340 176.870 -0.423 0.000 1.084 614 L CA 2.072 56.095 54.840 -1.361 0.000 0.764 614 L CB -0.393 40.936 42.059 -1.216 0.000 0.891 614 L HN 0.822 nan 8.230 nan 0.000 0.435 615 Q N -1.211 118.464 119.800 -0.208 0.000 2.175 615 Q HA 0.316 4.656 4.340 -0.001 0.000 0.225 615 Q C 0.591 176.604 176.000 0.021 0.000 0.837 615 Q CA 0.349 56.169 55.803 0.028 0.000 1.032 615 Q CB -0.326 28.347 28.738 -0.109 0.000 1.137 615 Q HN 0.377 nan 8.270 nan 0.000 0.483 616 G N 2.047 110.984 108.800 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 -2.776 172.347 174.900 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 0.075 0.000 1.223 617 P CA -0.238 62.906 63.100 0.074 0.000 0.784 617 P CB 1.131 32.870 31.700 0.065 0.000 0.923 618 I N -0.518 119.934 120.570 -0.197 0.000 2.726 618 I HA 0.167 4.337 4.170 -0.001 0.000 0.243 618 I C 0.727 177.081 176.117 0.395 0.000 1.082 618 I CA 0.634 61.885 61.300 -0.082 0.000 1.447 618 I CB -0.382 37.559 38.000 -0.098 0.000 1.250 618 I HN 0.436 nan 8.210 nan 0.000 0.453 619 W N 1.059 122.512 121.300 0.256 0.000 3.207 619 W HA 0.823 5.483 4.660 -0.001 0.000 0.326 619 W C -1.183 175.468 176.519 0.220 0.000 1.190 619 W CA -1.202 56.322 57.345 0.298 0.000 1.011 619 W CB 0.817 30.476 29.460 0.332 0.000 1.511 619 W HN -0.035 nan 8.180 nan 0.000 0.606 620 A N 1.331 124.446 122.820 0.492 0.000 2.555 620 A HA 0.465 4.785 4.320 -0.001 0.000 0.297 620 A C -1.414 176.342 177.584 0.287 0.000 1.060 620 A CA -1.116 51.121 52.037 0.334 0.000 0.710 620 A CB 1.391 20.502 19.000 0.185 0.000 1.282 620 A HN 0.723 nan 8.150 nan 0.000 0.399 621 K N 2.300 122.825 120.400 0.208 0.000 2.412 621 K HA 0.388 4.708 4.320 -0.001 0.000 0.281 621 K C -0.654 175.912 176.600 -0.055 0.000 1.027 621 K CA -0.049 56.181 56.287 -0.094 0.000 0.989 621 K CB 0.145 32.402 32.500 -0.405 0.000 0.935 621 K HN 0.578 nan 8.250 nan 0.000 0.475 622 I N 7.760 128.245 120.570 -0.142 0.000 2.379 622 I HA 0.114 4.283 4.170 -0.001 0.000 0.290 622 I C -1.859 174.178 176.117 -0.134 0.000 1.063 622 I CA -2.282 58.924 61.300 -0.157 0.000 1.351 622 I CB 0.930 38.757 38.000 -0.289 0.000 1.410 622 I HN 0.520 nan 8.210 nan 0.000 0.505 623 P HA -0.111 nan 4.420 nan 0.000 0.262 623 P C -0.514 176.860 177.300 0.124 0.000 1.182 623 P CA 0.182 63.320 63.100 0.064 0.000 0.761 623 P CB 0.193 31.955 31.700 0.103 0.000 0.795 624 H N 2.472 121.563 119.070 0.036 0.000 3.216 624 H HA 0.238 4.794 4.556 -0.001 0.000 0.263 624 H C 0.272 175.654 175.328 0.090 0.000 1.601 624 H CA 0.085 56.169 56.048 0.060 0.000 1.509 624 H CB -0.506 29.260 29.762 0.007 0.000 1.759 624 H HN 0.333 nan 8.280 nan 0.000 0.533 625 T N -0.460 114.109 114.554 0.025 0.000 2.905 625 T HA 0.151 4.501 4.350 -0.001 0.000 0.283 625 T C 0.929 175.489 174.700 -0.234 0.000 1.031 625 T CA -0.938 61.128 62.100 -0.057 0.000 1.002 625 T CB 1.296 70.143 68.868 -0.035 0.000 1.200 625 T HN 0.229 nan 8.240 nan 0.000 0.560 626 D N 0.457 120.748 120.400 -0.183 0.000 2.224 626 D HA 0.193 4.832 4.640 -0.001 0.000 0.205 626 D C 0.919 177.034 176.300 -0.308 0.000 0.965 626 D CA 1.094 54.979 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 -0.720 107.831 108.800 -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 0.171 0.000 1.212 628 H CA -0.651 55.440 56.048 0.071 0.000 1.136 628 H CB 2.361 32.137 29.762 0.023 0.000 1.869 628 H HN 0.419 nan 8.280 nan 0.000 0.556 629 F N 0.101 120.154 119.950 0.172 0.000 2.376 629 F HA 0.174 4.701 4.527 -0.001 0.000 0.234 629 F C 0.508 176.452 175.800 0.239 0.000 1.010 629 F CA 0.374 58.474 58.000 0.166 0.000 1.100 629 F CB 0.437 39.511 39.000 0.123 0.000 1.360 629 F HN 0.474 nan 8.300 nan 0.000 0.649 630 H N 2.177 121.267 119.070 0.033 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 0.104 0.000 1.298 630 H CA -1.884 54.158 56.048 -0.010 0.000 1.301 630 H CB 0.766 30.635 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 0.286 63.366 63.100 -0.035 0.000 0.783 631 P CB -0.232 31.381 31.700 -0.146 0.000 1.490 632 S N 1.550 117.281 115.700 0.052 0.000 2.499 632 S HA 0.322 4.791 4.470 -0.001 0.000 0.275 632 S C -2.289 172.390 174.600 0.132 0.000 1.257 632 S CA -1.703 56.560 58.200 0.105 0.000 1.050 632 S CB -0.186 63.130 63.200 0.193 0.000 0.937 632 S HN -0.057 nan 8.310 nan 0.000 0.490 633 P HA 0.031 nan 4.420 nan 0.000 0.262 633 P C 0.594 177.967 177.300 0.121 0.000 1.182 633 P CA 0.127 63.297 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 2.017 178.957 176.870 0.115 0.000 1.105 634 L CA 1.363 56.269 54.840 0.111 0.000 0.775 634 L CB -0.474 41.637 42.059 0.087 0.000 0.913 634 L HN 0.472 nan 8.230 nan 0.000 0.440 635 M N -0.519 119.147 119.600 0.109 0.000 2.659 635 M HA 0.151 4.631 4.480 -0.001 0.000 0.243 635 M C 0.814 177.205 176.300 0.153 0.000 1.111 635 M CA 0.493 55.864 55.300 0.118 0.000 1.070 635 M CB -0.192 32.464 32.600 0.092 0.000 1.525 635 M HN 0.329 nan 8.290 nan 0.000 0.517 636 G N -0.200 108.683 108.800 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 -0.273 174.685 174.900 0.097 0.000 1.256 636 G CA -0.574 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 -0.010 0.000 2.428 637 G HA2 0.388 4.348 3.960 -0.001 0.000 0.202 637 G HA3 0.388 4.348 3.960 -0.001 0.000 0.202 637 G C -0.445 174.332 174.900 -0.206 0.000 1.247 637 G CA 0.055 45.089 45.100 -0.109 0.000 1.020 637 G HN 1.722 nan 8.290 nan 0.000 0.529 638 F N 1.827 121.935 119.950 0.263 0.000 2.411 638 F HA 0.586 5.113 4.527 -0.001 0.000 0.352 638 F C 1.101 177.038 175.800 0.227 0.000 1.123 638 F CA 0.169 58.304 58.000 0.225 0.000 1.044 638 F CB 2.065 41.210 39.000 0.242 0.000 1.135 638 F HN 0.734 nan 8.300 nan 0.000 0.461 639 G N 4.886 113.853 108.800 0.278 0.000 2.320 639 G HA2 0.610 4.570 3.960 -0.001 0.000 0.300 639 G HA3 0.610 4.570 3.960 -0.001 0.000 0.300 639 G C -1.015 173.957 174.900 0.119 0.000 1.126 639 G CA -0.516 44.686 45.100 0.170 0.000 0.896 639 G HN 0.570 nan 8.290 nan 0.000 0.436 640 L N 2.931 124.207 121.223 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 53.726 54.840 0.001 0.000 0.820 640 L CB 2.333 44.420 42.059 0.046 0.000 1.270 640 L HN 0.434 nan 8.230 nan 0.000 0.415 641 K N 0.925 121.184 120.400 -0.235 0.000 2.057 641 K HA -0.031 4.289 4.320 -0.001 0.000 0.207 641 K C 0.280 176.382 176.600 -0.831 0.000 1.049 641 K CA 1.297 57.289 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 -0.374 0.000 1.502 642 H CB 1.172 30.890 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 -2.599 174.440 177.300 -0.435 0.000 1.261 643 P CA -1.878 61.046 63.100 -0.293 0.000 0.800 643 P CB 0.025 31.562 31.700 -0.271 0.000 1.066 644 P HA 0.023 nan 4.420 nan 0.000 0.258 644 P C -2.100 175.028 177.300 -0.287 0.000 1.172 644 P CA -0.272 62.105 63.100 -1.205 0.000 0.762 644 P CB -1.122 29.907 31.700 -1.117 0.000 0.764 645 P HA 0.031 nan 4.420 nan 0.000 0.272 645 P C -0.487 176.733 177.300 -0.134 0.000 1.240 645 P CA -0.038 63.014 63.100 -0.080 0.000 0.791 645 P CB 0.718 32.271 31.700 -0.245 0.000 0.978 646 Q N 0.629 120.327 119.800 -0.170 0.000 2.286 646 Q HA 0.331 4.671 4.340 -0.001 0.000 0.257 646 Q C -0.453 175.238 176.000 -0.515 0.000 0.941 646 Q CA -0.284 55.325 55.803 -0.323 0.000 0.912 646 Q CB 0.217 28.711 28.738 -0.406 0.000 1.192 646 Q HN 0.329 nan 8.270 nan 0.000 0.410 647 I N 3.039 123.341 120.570 -0.448 0.000 2.337 647 I HA 0.184 4.353 4.170 -0.001 0.000 0.285 647 I C -0.508 175.376 176.117 -0.388 0.000 1.041 647 I CA -0.208 60.775 61.300 -0.529 0.000 1.199 647 I CB 0.614 38.256 38.000 -0.595 0.000 1.370 647 I HN 0.478 nan 8.210 nan 0.000 0.470 648 M N 6.585 125.759 119.600 -0.710 0.000 2.250 648 M HA 0.550 5.030 4.480 -0.001 0.000 0.344 648 M C -0.647 175.636 176.300 -0.029 0.000 1.150 648 M CA -0.247 54.771 55.300 -0.470 0.000 1.147 648 M CB 1.202 33.171 32.600 -1.053 0.000 1.498 648 M HN 0.508 nan 8.290 nan 0.000 0.461 649 I N 3.117 123.836 120.570 0.249 0.000 2.722 649 I HA 0.682 4.852 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 61.085 61.300 0.131 0.000 1.036 649 I CB 1.635 39.623 38.000 -0.020 0.000 1.281 649 I HN 0.679 nan 8.210 nan 0.000 0.423 650 K N 3.973 124.226 120.400 -0.246 0.000 2.578 650 K HA 0.559 4.878 4.320 -0.001 0.000 0.269 650 K C -1.904 174.521 176.600 -0.292 0.000 0.941 650 K CA -0.666 55.372 56.287 -0.415 0.000 0.847 650 K CB 0.708 32.585 32.500 -1.038 0.000 1.397 650 K HN 0.347 nan 8.250 nan 0.000 0.422 651 N N 1.303 119.907 118.700 -0.161 0.000 2.475 651 N HA 0.155 4.895 4.740 -0.001 0.000 0.267 651 N C -0.742 174.683 175.510 -0.142 0.000 1.169 651 N CA -0.214 52.785 53.050 -0.085 0.000 0.947 651 N CB 0.917 39.405 38.487 0.001 0.000 1.061 651 N HN 0.683 nan 8.380 nan 0.000 0.466 652 T N 3.650 118.120 114.554 -0.139 0.000 2.888 652 T HA 0.148 4.497 4.350 -0.001 0.000 0.301 652 T C -2.178 172.360 174.700 -0.269 0.000 1.001 652 T CA -0.700 61.290 62.100 -0.184 0.000 1.147 652 T CB 0.298 69.104 68.868 -0.103 0.000 0.931 652 T HN 0.266 nan 8.240 nan 0.000 0.541 653 P HA 0.152 nan 4.420 nan 0.000 0.263 653 P C -0.920 176.206 177.300 -0.290 0.000 1.195 653 P CA -0.131 62.465 63.100 -0.839 0.000 0.762 653 P CB 0.344 31.434 31.700 -1.016 0.000 0.799 654 V N 7.062 126.925 119.914 -0.085 0.000 2.304 654 V HA 0.265 4.384 4.120 -0.001 0.000 0.278 654 V C -2.106 174.160 176.094 0.286 0.000 1.018 654 V CA -2.100 60.250 62.300 0.084 0.000 0.814 654 V CB 1.348 33.205 31.823 0.058 0.000 1.021 654 V HN 0.460 nan 8.190 nan 0.000 0.440 655 P HA 0.210 nan 4.420 nan 0.000 0.266 655 P C 0.003 177.362 177.300 0.098 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 -0.505 0.000 0.838 656 A N 3.111 126.035 122.820 0.175 0.000 2.450 656 A HA 0.251 4.571 4.320 -0.001 0.000 0.281 656 A C 0.103 177.784 177.584 0.161 0.000 1.372 656 A CA -0.668 51.456 52.037 0.145 0.000 0.886 656 A CB -0.333 18.737 19.000 0.116 0.000 1.462 656 A HN 0.591 nan 8.150 nan 0.000 0.514 657 N N 1.064 119.825 118.700 0.101 0.000 2.315 657 N HA 0.164 4.903 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 -0.431 52.669 53.050 0.084 0.000 0.860 657 N CB 0.073 38.586 38.487 0.043 0.000 1.095 657 N HN 0.333 nan 8.380 nan 0.000 0.487 658 P HA 0.346 nan 4.420 nan 0.000 0.287 658 P C -2.540 174.797 177.300 0.060 0.000 1.270 658 P CA -1.310 61.877 63.100 0.145 0.000 0.844 658 P CB 0.413 32.251 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 -0.059 63.046 63.100 0.007 0.000 0.781 659 P CB 0.215 31.895 31.700 -0.033 0.000 0.906 660 T N -0.674 113.902 114.554 0.036 0.000 2.977 660 T HA -0.056 4.293 4.350 -0.001 0.000 0.271 660 T C 0.954 175.692 174.700 0.063 0.000 1.105 660 T CA 1.309 63.437 62.100 0.047 0.000 1.116 660 T CB -0.194 68.694 68.868 0.033 0.000 0.878 660 T HN 0.476 nan 8.240 nan 0.000 0.509 661 T N 0.984 115.571 114.554 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 61.178 62.100 0.078 0.000 1.042 661 T CB 0.298 69.190 68.868 0.040 0.000 0.973 661 T HN 0.138 nan 8.240 nan 0.000 0.465 662 F N 4.630 124.587 119.950 0.011 0.000 2.506 662 F HA 0.489 5.015 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 -0.318 57.693 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 7.583 122.894 115.700 -0.649 0.000 2.498 663 S HA 0.503 4.972 4.470 -0.001 0.000 0.317 663 S C -1.683 172.411 174.600 -0.844 0.000 1.090 663 S CA -1.369 56.440 58.200 -0.650 0.000 1.089 663 S CB 1.285 64.292 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 0.292 177.492 177.300 -0.166 0.000 1.153 664 P CA 0.255 63.115 63.100 -0.400 0.000 0.798 664 P CB -0.109 31.465 31.700 -0.211 0.000 0.796 665 A N 0.871 123.586 122.820 -0.175 0.000 2.586 665 A HA -0.065 4.255 4.320 -0.001 0.000 0.231 665 A C 0.619 178.172 177.584 -0.051 0.000 1.055 665 A CA -0.025 51.951 52.037 -0.101 0.000 0.756 665 A CB -0.417 18.507 19.000 -0.126 0.000 0.988 665 A HN 0.091 nan 8.150 nan 0.000 0.509 666 K N 0.839 121.240 120.400 0.003 0.000 2.524 666 K HA 0.012 4.332 4.320 -0.001 0.000 0.279 666 K C -0.729 175.905 176.600 0.056 0.000 0.993 666 K CA 0.256 56.587 56.287 0.073 0.000 1.030 666 K CB 0.040 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 3.024 122.978 119.950 0.007 0.000 2.467 667 F HA 0.214 4.741 4.527 -0.001 0.000 0.362 667 F C 0.706 176.432 175.800 -0.124 0.000 1.090 667 F CA 0.606 58.550 58.000 -0.092 0.000 1.202 667 F CB 1.175 40.112 39.000 -0.104 0.000 1.113 667 F HN 0.667 nan 8.300 nan 0.000 0.541 668 A N 3.037 125.724 122.820 -0.222 0.000 2.474 668 A HA 0.156 4.475 4.320 -0.001 0.000 0.221 668 A C 0.512 177.982 177.584 -0.189 0.000 1.298 668 A CA 0.081 52.078 52.037 -0.067 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 0.720 116.180 115.700 -0.401 0.000 2.411 669 S HA 0.640 5.110 4.470 -0.001 0.000 0.304 669 S C -0.976 173.511 174.600 -0.190 0.000 1.098 669 S CA -0.252 57.820 58.200 -0.213 0.000 1.068 669 S CB -0.618 62.450 63.200 -0.219 0.000 1.032 669 S HN 0.201 nan 8.310 nan 0.000 0.511 670 F N 3.366 123.453 119.950 0.228 0.000 2.579 670 F HA 0.554 5.080 4.527 -0.001 0.000 0.324 670 F C 0.419 176.307 175.800 0.148 0.000 1.058 670 F CA -1.195 56.931 58.000 0.209 0.000 0.944 670 F CB 1.306 40.460 39.000 0.256 0.000 1.245 670 F HN 0.296 nan 8.300 nan 0.000 0.477 671 I N 1.796 122.572 120.570 0.343 0.000 2.416 671 I HA 0.116 4.286 4.170 -0.001 0.000 0.288 671 I C 0.291 176.530 176.117 0.203 0.000 1.051 671 I CA -0.390 61.036 61.300 0.209 0.000 1.375 671 I CB 0.918 39.007 38.000 0.149 0.000 1.407 671 I HN 0.593 nan 8.210 nan 0.000 0.516 672 T N 4.401 119.044 114.554 0.149 0.000 2.834 672 T HA 0.406 4.755 4.350 -0.001 0.000 0.298 672 T C -0.366 174.400 174.700 0.111 0.000 0.966 672 T CA -0.601 61.567 62.100 0.114 0.000 1.141 672 T CB 0.907 69.820 68.868 0.074 0.000 0.905 672 T HN 0.745 nan 8.240 nan 0.000 0.535 673 Q N 2.052 121.920 119.800 0.112 0.000 2.527 673 Q HA 0.540 4.880 4.340 -0.001 0.000 0.280 673 Q C -1.708 174.382 176.000 0.150 0.000 0.977 673 Q CA -1.346 54.531 55.803 0.124 0.000 0.837 673 Q CB 1.235 30.004 28.738 0.052 0.000 1.454 673 Q HN 0.868 nan 8.270 nan 0.000 0.387 674 Y N -1.021 119.260 120.300 -0.033 0.000 2.633 674 Y HA 0.890 5.440 4.550 -0.001 0.000 0.339 674 Y C -0.790 175.099 175.900 -0.017 0.000 1.045 674 Y CA -0.719 57.356 58.100 -0.042 0.000 1.098 674 Y CB 1.978 40.395 38.460 -0.071 0.000 1.296 674 Y HN 0.871 nan 8.280 nan 0.000 0.494 675 S N 0.339 116.020 115.700 -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 1.852 65.131 63.200 0.131 0.000 1.093 675 S HN 1.113 nan 8.310 nan 0.000 0.488 676 T N -0.315 113.996 114.554 -0.406 0.000 2.932 676 T HA 0.762 5.111 4.350 -0.001 0.000 0.318 676 T C -0.325 173.674 174.700 -1.168 0.000 1.265 676 T CA 0.236 61.831 62.100 -0.842 0.000 1.036 676 T CB 1.031 69.640 68.868 -0.432 0.000 1.209 676 T HN 1.686 nan 8.240 nan 0.000 0.484 677 G N 2.128 109.775 108.800 -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 -1.986 172.225 174.900 -1.148 0.000 1.311 677 G CA -0.667 43.730 45.100 -1.172 0.000 0.813 677 G HN 0.746 nan 8.290 nan 0.000 0.480 678 Q N -1.273 118.186 119.800 -0.569 0.000 2.215 678 Q HA 0.733 5.073 4.340 -0.001 0.000 0.256 678 Q C -0.585 175.221 176.000 -0.323 0.000 0.972 678 Q CA -0.706 54.812 55.803 -0.475 0.000 0.889 678 Q CB 2.396 30.730 28.738 -0.674 0.000 1.281 678 Q HN 0.785 nan 8.270 nan 0.000 0.456 679 V N 0.288 120.141 119.914 -0.102 0.000 2.709 679 V HA 0.799 4.918 4.120 -0.001 0.000 0.308 679 V C -1.413 174.589 176.094 -0.153 0.000 1.062 679 V CA -0.291 61.911 62.300 -0.163 0.000 0.901 679 V CB 2.269 34.101 31.823 0.015 0.000 1.003 679 V HN 0.696 nan 8.190 nan 0.000 0.425 680 S N 4.141 119.757 115.700 -0.141 0.000 2.526 680 S HA 0.878 5.347 4.470 -0.001 0.000 0.293 680 S C -1.415 173.051 174.600 -0.222 0.000 1.092 680 S CA -0.469 57.676 58.200 -0.091 0.000 0.980 680 S CB 1.709 64.972 63.200 0.105 0.000 1.048 680 S HN 0.853 nan 8.310 nan 0.000 0.483 681 V N 4.374 124.188 119.914 -0.166 0.000 2.524 681 V HA 0.477 4.596 4.120 -0.001 0.000 0.297 681 V C -0.496 175.548 176.094 -0.083 0.000 1.035 681 V CA -0.663 61.538 62.300 -0.165 0.000 0.867 681 V CB 1.590 33.211 31.823 -0.337 0.000 1.004 681 V HN 0.897 nan 8.190 nan 0.000 0.426 682 E N 5.346 125.499 120.200 -0.080 0.000 2.145 682 E HA 0.664 5.014 4.350 -0.001 0.000 0.270 682 E C -1.458 175.090 176.600 -0.087 0.000 0.906 682 E CA -0.509 55.847 56.400 -0.074 0.000 0.761 682 E CB 1.464 31.101 29.700 -0.104 0.000 1.116 682 E HN 0.659 nan 8.360 nan 0.000 0.408 683 I N 3.395 123.902 120.570 -0.104 0.000 2.509 683 I HA 0.284 4.454 4.170 -0.001 0.000 0.293 683 I C -0.239 175.669 176.117 -0.347 0.000 1.020 683 I CA -0.818 60.320 61.300 -0.270 0.000 1.088 683 I CB 2.081 39.809 38.000 -0.454 0.000 1.267 683 I HN 0.537 nan 8.210 nan 0.000 0.430 684 E N 5.394 125.339 120.200 -0.425 0.000 2.175 684 E HA 0.353 4.703 4.350 -0.001 0.000 0.278 684 E C -1.946 174.385 176.600 -0.449 0.000 0.969 684 E CA -0.616 55.609 56.400 -0.293 0.000 0.796 684 E CB 1.199 30.798 29.700 -0.169 0.000 1.104 684 E HN 0.393 nan 8.360 nan 0.000 0.395 685 W N 2.885 124.141 121.300 -0.073 0.000 2.587 685 W HA 0.305 4.965 4.660 -0.001 0.000 0.324 685 W C -0.093 176.464 176.519 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 4.814 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 56.202 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 3.675 125.176 121.223 0.463 0.000 2.325 687 L HA 0.361 4.701 4.340 -0.001 0.000 0.278 687 L C -0.062 176.919 176.870 0.185 0.000 1.023 687 L CA -0.742 54.344 54.840 0.409 0.000 0.811 687 L CB 1.673 43.907 42.059 0.292 0.000 1.249 687 L HN 0.548 nan 8.230 nan 0.000 0.431 688 Q N 3.215 122.990 119.800 -0.042 0.000 2.368 688 Q HA 0.226 4.566 4.340 -0.001 0.000 0.256 688 Q C -0.819 175.111 176.000 -0.117 0.000 0.980 688 Q CA -0.780 54.824 55.803 -0.333 0.000 0.887 688 Q CB 1.116 29.416 28.738 -0.731 0.000 1.221 688 Q HN 0.341 nan 8.270 nan 0.000 0.458 689 K N 2.328 122.635 120.400 -0.156 0.000 2.258 689 K HA 0.065 4.385 4.320 -0.001 0.000 0.264 689 K C -0.160 176.145 176.600 -0.492 0.000 1.007 689 K CA -0.088 56.069 56.287 -0.217 0.000 0.941 689 K CB 0.927 33.321 32.500 -0.176 0.000 0.966 689 K HN 0.674 nan 8.250 nan 0.000 0.480 690 E N 2.218 122.035 120.200 -0.638 0.000 2.316 690 E HA -0.033 4.317 4.350 -0.001 0.000 0.275 690 E C -0.879 175.119 176.600 -1.003 0.000 1.029 690 E CA -0.005 55.607 56.400 -1.314 0.000 0.871 690 E CB 0.447 29.573 29.700 -0.956 0.000 1.022 690 E HN 0.411 nan 8.360 nan 0.000 0.418 691 N N 2.984 120.982 118.700 -1.169 0.000 2.750 691 N HA 0.100 4.839 4.740 -0.001 0.000 0.253 691 N C -1.921 173.470 175.510 -0.199 0.000 1.408 691 N CA -0.281 52.483 53.050 -0.475 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 1.030 116.639 115.700 -0.152 0.000 2.503 692 S HA 0.462 4.932 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 -0.590 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 2.151 122.607 120.400 0.092 0.000 2.440 693 K HA 0.151 4.470 4.320 -0.001 0.000 0.206 693 K C 0.267 176.949 176.600 0.137 0.000 1.025 693 K CA -0.249 56.095 56.287 0.095 0.000 1.135 693 K CB -0.063 32.492 32.500 0.091 0.000 0.856 693 K HN 0.548 nan 8.250 nan 0.000 0.502 694 R N 0.987 121.567 120.500 0.135 0.000 2.502 694 R HA -0.110 4.230 4.340 -0.001 0.000 0.292 694 R C 1.070 177.471 176.300 0.168 0.000 0.998 694 R CA 0.247 56.439 56.100 0.154 0.000 1.056 694 R CB 0.038 30.421 30.300 0.138 0.000 0.939 694 R HN 0.287 nan 8.270 nan 0.000 0.411 695 W N 5.810 127.129 121.300 0.031 0.000 2.441 695 W HA -0.077 4.583 4.660 -0.001 0.000 0.302 695 W C -0.253 176.279 176.519 0.022 0.000 1.191 695 W CA 0.954 58.312 57.345 0.021 0.000 1.327 695 W CB -0.116 29.355 29.460 0.018 0.000 1.128 695 W HN 0.748 nan 8.180 nan 0.000 0.522 696 N N 1.948 120.762 118.700 0.190 0.000 2.503 696 N HA 0.146 4.885 4.740 -0.001 0.000 0.267 696 N C -2.738 172.779 175.510 0.011 0.000 1.214 696 N CA -1.294 51.806 53.050 0.084 0.000 0.959 696 N CB -0.396 38.186 38.487 0.160 0.000 1.142 696 N HN -0.133 nan 8.380 nan 0.000 0.455 697 P HA 0.060 nan 4.420 nan 0.000 0.267 697 P C -0.244 177.077 177.300 0.035 0.000 1.200 697 P CA 0.312 63.406 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 1.208 121.438 120.200 0.050 0.000 2.254 698 E HA 0.381 4.731 4.350 -0.001 0.000 0.261 698 E C 0.234 176.890 176.600 0.094 0.000 1.051 698 E CA -1.055 55.395 56.400 0.084 0.000 0.902 698 E CB 0.923 30.693 29.700 0.117 0.000 1.168 698 E HN 0.440 nan 8.360 nan 0.000 0.423 699 I N -0.953 119.685 120.570 0.113 0.000 2.529 699 I HA 0.154 4.324 4.170 -0.001 0.000 0.284 699 I C -0.349 175.927 176.117 0.264 0.000 1.082 699 I CA -0.363 61.023 61.300 0.142 0.000 1.406 699 I CB 0.535 38.591 38.000 0.094 0.000 1.405 699 I HN 0.181 nan 8.210 nan 0.000 0.548 700 Q N 4.872 124.831 119.800 0.265 0.000 2.387 700 Q HA 0.307 4.646 4.340 -0.001 0.000 0.273 700 Q C -1.344 174.841 176.000 0.310 0.000 1.089 700 Q CA -0.807 55.158 55.803 0.270 0.000 0.824 700 Q CB 2.670 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 0.831 121.085 120.300 -0.077 0.000 2.346 701 Y HA 0.301 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 0.848 58.906 58.100 -0.070 0.000 1.331 701 Y CB 0.971 39.168 38.460 -0.438 0.000 1.253 701 Y HN 0.620 nan 8.280 nan 0.000 0.529 702 T N 3.612 117.801 114.554 -0.609 0.000 2.840 702 T HA 0.444 4.793 4.350 -0.001 0.000 0.317 702 T C -1.223 173.237 174.700 -0.399 0.000 1.401 702 T CA -0.745 61.178 62.100 -0.293 0.000 1.028 702 T CB 0.845 69.660 68.868 -0.088 0.000 1.317 702 T HN 0.625 nan 8.240 nan 0.000 0.495 703 S N 1.861 117.508 115.700 -0.088 0.000 2.632 703 S HA 0.407 4.877 4.470 -0.001 0.000 0.271 703 S C 0.054 174.674 174.600 0.034 0.000 1.260 703 S CA -0.699 57.502 58.200 0.002 0.000 1.010 703 S CB 0.283 63.550 63.200 0.112 0.000 0.965 703 S HN 0.732 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 0.019 0.000 1.195 704 N CA -0.154 52.902 53.050 0.011 0.000 0.943 704 N CB 0.183 38.637 38.487 -0.056 0.000 1.115 704 N HN 0.738 nan 8.380 nan 0.000 0.481 705 Y N 1.012 121.311 120.300 -0.000 0.000 2.574 705 Y HA 0.050 4.600 4.550 -0.001 0.000 0.294 705 Y C 0.063 175.968 175.900 0.007 0.000 1.142 705 Y CA -0.407 57.696 58.100 0.006 0.000 1.314 705 Y CB -0.235 38.227 38.460 0.003 0.000 0.991 705 Y HN 0.314 nan 8.280 nan 0.000 0.555 706 N N 2.826 121.157 118.700 -0.616 0.000 2.441 706 N HA -0.065 4.675 4.740 -0.001 0.000 0.251 706 N C -0.364 175.026 175.510 -0.200 0.000 1.242 706 N CA 0.002 52.749 53.050 -0.505 0.000 0.898 706 N CB 0.556 38.787 38.487 -0.428 0.000 1.100 706 N HN 0.367 nan 8.380 nan 0.000 0.443 707 K N 0.874 121.191 120.400 -0.139 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 56.667 56.287 -0.069 0.000 1.105 707 K CB 0.169 32.640 32.500 -0.048 0.000 0.881 707 K HN 0.442 nan 8.250 nan 0.000 0.475 708 S N 2.745 118.418 115.700 -0.046 0.000 2.634 708 S HA 0.352 4.821 4.470 -0.001 0.000 0.296 708 S C 0.860 175.442 174.600 -0.030 0.000 1.104 708 S CA -1.044 57.130 58.200 -0.042 0.000 0.920 708 S CB 1.569 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 2.705 122.599 119.914 -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 1.385 63.667 62.300 -0.030 0.000 0.991 709 V CB -0.831 30.970 31.823 -0.036 0.000 0.638 709 V HN 0.824 nan 8.190 nan 0.000 0.457 710 N N -0.744 117.935 118.700 -0.034 0.000 2.466 710 N HA 0.478 5.218 4.740 -0.001 0.000 0.294 710 N C -1.030 174.466 175.510 -0.023 0.000 1.129 710 N CA -0.613 52.417 53.050 -0.033 0.000 0.931 710 N CB 2.060 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 1.399 121.311 119.914 -0.003 0.000 2.583 711 V HA 0.041 4.160 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 -0.395 61.924 62.300 0.030 0.000 1.010 711 V CB 0.821 32.681 31.823 0.062 0.000 0.988 711 V HN 0.610 nan 8.190 nan 0.000 0.478 712 D N 4.259 124.700 120.400 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 0.595 54.636 54.000 0.069 0.000 0.872 712 D CB -0.050 40.876 40.800 0.211 0.000 1.173 712 D HN 0.476 nan 8.370 nan 0.000 0.467 713 F N -0.149 119.762 119.950 -0.064 0.000 2.781 713 F HA -0.263 4.264 4.527 -0.001 0.000 0.350 713 F C 0.321 176.148 175.800 0.045 0.000 1.048 713 F CA 0.343 58.287 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 -0.834 113.684 114.554 -0.061 0.000 2.792 714 T HA 0.686 5.036 4.350 -0.001 0.000 0.303 714 T C -0.181 174.471 174.700 -0.081 0.000 1.310 714 T CA -0.427 61.714 62.100 0.070 0.000 1.007 714 T CB 2.146 71.049 68.868 0.060 0.000 1.335 714 T HN 0.363 nan 8.240 nan 0.000 0.504 715 V N 0.386 120.257 119.914 -0.071 0.000 2.953 715 V HA 0.705 4.825 4.120 -0.001 0.000 0.304 715 V C 0.038 176.084 176.094 -0.080 0.000 1.073 715 V CA -0.630 61.593 62.300 -0.127 0.000 1.064 715 V CB 0.646 32.368 31.823 -0.168 0.000 1.047 715 V HN 0.990 nan 8.190 nan 0.000 0.478 716 D N 0.998 121.351 120.400 -0.077 0.000 2.589 716 D HA 0.293 4.933 4.640 -0.001 0.000 0.268 716 D C 1.420 177.698 176.300 -0.036 0.000 1.182 716 D CA 0.256 54.221 54.000 -0.057 0.000 1.087 716 D CB -0.008 40.752 40.800 -0.067 0.000 1.186 716 D HN 0.670 nan 8.370 nan 0.000 0.620 717 T N -2.148 112.388 114.554 -0.030 0.000 2.737 717 T HA -0.243 4.107 4.350 -0.001 0.000 0.269 717 T C 0.828 175.518 174.700 -0.015 0.000 1.040 717 T CA 1.666 63.754 62.100 -0.019 0.000 1.142 717 T CB -0.976 67.880 68.868 -0.019 0.000 0.861 717 T HN 0.605 nan 8.240 nan 0.000 0.456 718 N N 0.861 119.549 118.700 -0.019 0.000 2.380 718 N HA 0.440 5.180 4.740 -0.001 0.000 0.255 718 N C 0.689 176.191 175.510 -0.013 0.000 1.158 718 N CA -0.085 52.957 53.050 -0.013 0.000 0.878 718 N CB 0.082 38.561 38.487 -0.013 0.000 1.138 718 N HN 0.576 nan 8.380 nan 0.000 0.509 719 G N 0.018 108.807 108.800 -0.019 0.000 2.381 719 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.281 719 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.281 719 G C -0.761 174.122 174.900 -0.028 0.000 0.984 719 G CA 0.133 45.220 45.100 -0.021 0.000 1.339 719 G HN 0.355 nan 8.290 nan 0.000 0.485 720 V N 2.846 122.728 119.914 -0.054 0.000 2.532 720 V HA 0.366 4.486 4.120 -0.001 0.000 0.294 720 V C -0.041 176.003 176.094 -0.083 0.000 1.036 720 V CA -1.329 60.943 62.300 -0.047 0.000 0.876 720 V CB 1.519 33.318 31.823 -0.040 0.000 1.012 720 V HN 0.608 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 0.306 58.230 58.100 -0.294 0.000 1.422 721 Y CB 1.060 39.280 38.460 -0.401 0.000 1.271 721 Y HN 0.734 nan 8.280 nan 0.000 0.550 722 S N 4.394 119.585 115.700 -0.850 0.000 2.572 722 S HA 0.441 4.911 4.470 -0.001 0.000 0.274 722 S C -1.601 172.498 174.600 -0.834 0.000 1.150 722 S CA -1.190 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 -1.906 174.289 176.600 -0.675 0.000 1.018 723 E CA -2.087 53.871 56.400 -0.736 0.000 0.817 723 E CB 0.734 30.281 29.700 -0.255 0.000 1.078 723 E HN 0.369 nan 8.360 nan 0.000 0.396 724 P HA -0.168 nan 4.420 nan 0.000 0.214 724 P C -0.010 177.125 177.300 -0.275 0.000 1.162 724 P CA 1.320 64.120 63.100 -0.501 0.000 0.879 724 P CB 0.227 31.633 31.700 -0.490 0.000 0.786 725 R N -2.016 118.365 120.500 -0.198 0.000 2.808 725 R HA 0.589 4.929 4.340 -0.001 0.000 0.272 725 R C -3.217 173.133 176.300 0.083 0.000 0.995 725 R CA -2.369 53.734 56.100 0.005 0.000 0.917 725 R CB 0.432 30.800 30.300 0.114 0.000 1.217 725 R HN -0.230 nan 8.270 nan 0.000 0.471 726 P HA 0.170 nan 4.420 nan 0.000 0.271 726 P C -0.595 176.833 177.300 0.214 0.000 1.216 726 P CA -0.258 62.868 63.100 0.044 0.000 0.771 726 P CB 0.482 32.177 31.700 -0.009 0.000 0.864 727 I N 2.688 123.406 120.570 0.246 0.000 2.339 727 I HA 0.310 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 0.857 38.912 38.000 0.091 0.000 1.343 727 I HN 0.415 nan 8.210 nan 0.000 0.458 728 G N 3.627 112.812 108.800 0.642 0.000 2.468 728 G HA2 0.244 4.203 3.960 -0.001 0.000 0.264 728 G HA3 0.244 4.203 3.960 -0.001 0.000 0.264 728 G C 0.511 175.637 174.900 0.378 0.000 1.460 728 G CA 0.301 45.682 45.100 0.469 0.000 1.060 728 G HN 0.572 nan 8.290 nan 0.000 0.543 729 T N -1.614 113.093 114.554 0.255 0.000 3.073 729 T HA 0.171 4.520 4.350 -0.001 0.000 0.264 729 T C 0.797 175.636 174.700 0.232 0.000 0.893 729 T CA -0.282 61.915 62.100 0.162 0.000 0.863 729 T CB 0.108 69.038 68.868 0.104 0.000 1.247 729 T HN 0.320 nan 8.240 nan 0.000 0.546 730 R N 1.289 121.914 120.500 0.209 0.000 2.825 730 R HA 0.341 4.681 4.340 -0.001 0.000 0.261 730 R C -0.348 176.004 176.300 0.087 0.000 1.341 730 R CA -0.168 55.978 56.100 0.077 0.000 1.353 730 R CB 0.201 30.445 30.300 -0.094 0.000 1.191 730 R HN 0.337 nan 8.270 nan 0.000 0.590 731 Y N 0.218 120.545 120.300 0.044 0.000 2.559 731 Y HA 0.182 4.731 4.550 -0.001 0.000 0.279 731 Y C 0.952 176.903 175.900 0.084 0.000 1.117 731 Y CA 0.018 58.162 58.100 0.073 0.000 1.263 731 Y CB 0.583 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 0.840 122.228 121.223 0.274 0.000 2.439 732 L HA 0.320 4.660 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 -0.036 114.585 114.554 0.112 0.000 2.829 733 T HA 0.553 4.903 4.350 -0.001 0.000 0.280 733 T C -0.514 174.069 174.700 -0.195 0.000 0.999 733 T CA -0.899 61.182 62.100 -0.032 0.000 0.983 733 T CB 2.211 71.107 68.868 0.047 0.000 0.968 733 T HN 0.643 nan 8.240 nan 0.000 0.446 734 R N 2.074 122.375 120.500 -0.330 0.000 2.854 734 R HA 0.511 4.850 4.340 -0.001 0.000 0.271 734 R C -0.885 175.369 176.300 -0.077 0.000 0.994 734 R CA -0.699 55.160 56.100 -0.402 0.000 0.945 734 R CB 1.398 31.073 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 5.023 4.740 -0.001 0.000 0.270 735 N C -0.136 175.439 175.510 0.107 0.000 1.205 735 N CA -0.392 52.697 53.050 0.066 0.000 0.974 735 N CB 0.575 39.090 38.487 0.047 0.000 1.197 735 N HN 0.364 nan 8.380 nan 0.000 0.504 736 L N 0.000 121.254 121.223 0.052 0.000 2.949 736 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 736 L CA 0.000 54.793 54.840 -0.078 0.000 0.813 736 L CB 0.000 41.947 42.059 -0.186 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502