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_B DATA FIRST_RESID 217 DATA SEQUENCE GADGVGNSSG NWHCDSQWLG DRVITTSTRT WALPTYNNHL YKQISSQSGA DATA SEQUENCE SNDNHYFGYS TPWGYFDFNR FHCHFSPRDW QRLINNNWGF RPKKLSFKLF DATA SEQUENCE NIQVKEVTQN DGTTTIANNL TSTVQVFTDS EYQLPYVLGS AHQGCLPPFP DATA SEQUENCE ADVFMVPQYG YLTLNNGSQA VGRSSFYCLE YFPSQMLRTG NNFQFSYTFE DATA SEQUENCE DVPFHSSYAH SQSLDRLMNP LIDQYLYYLN RTQGTTSGTT NQSRLLFSQA DATA SEQUENCE GPQSMSLQAR NWLPGPCYRQ QRLSKTANDN NNSNFPWTAA SKYHLNGRDS DATA SEQUENCE LVNPGPAMAS HKDDEEKFFP MHGNLIFGKE GTTASNAELD NVMITDEEEI DATA SEQUENCE RTTNPVATEQ YGTVANNLQS SNTAPTTRTV NDQGALPGMV WQDRDVYLQG DATA SEQUENCE PIWAKIPHTD GHFHPSPLMG GFGLKHPPPQ IMIKNTPVPA NPPTTFSPAK DATA SEQUENCE FASFITQYST GQVSVEIEWE LQKENSKRWN PEIQYTSNYN KSVNVDFTVD DATA SEQUENCE TNGVYSEPRP IGTRYLTRNL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 217 G HA2 0.000 nan 3.960 nan 0.000 0.244 217 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 217 G C 0.000 174.926 174.900 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 -0.995 176.608 177.584 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 0.604 121.027 120.400 0.038 0.000 2.808 219 D HA 0.703 5.342 4.640 -0.001 0.000 0.249 219 D C 0.700 177.019 176.300 0.031 0.000 1.151 219 D CA 0.219 54.237 54.000 0.031 0.000 1.089 219 D CB 1.415 42.234 40.800 0.032 0.000 1.295 219 D HN 0.669 nan 8.370 nan 0.000 0.631 220 G N -0.746 108.070 108.800 0.027 0.000 2.642 220 G HA2 0.433 4.392 3.960 -0.001 0.000 0.291 220 G HA3 0.433 4.392 3.960 -0.001 0.000 0.291 220 G C 0.883 175.798 174.900 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 0.551 120.475 119.914 0.018 0.000 2.255 221 V HA 0.033 4.153 4.120 -0.001 0.000 0.243 221 V C 2.528 178.630 176.094 0.014 0.000 1.038 221 V CA 2.119 64.427 62.300 0.015 0.000 1.008 221 V CB -0.651 31.177 31.823 0.009 0.000 0.645 221 V HN 0.760 nan 8.190 nan 0.000 0.449 222 G N 0.750 109.557 108.800 0.011 0.000 3.474 222 G HA2 0.147 4.107 3.960 -0.001 0.000 0.269 222 G HA3 0.147 4.107 3.960 -0.001 0.000 0.269 222 G C -0.029 174.880 174.900 0.014 0.000 1.339 222 G CA 0.022 45.128 45.100 0.010 0.000 1.258 222 G HN 0.472 nan 8.290 nan 0.000 0.560 223 N N -0.018 118.694 118.700 0.020 0.000 2.519 223 N HA 0.266 5.005 4.740 -0.001 0.000 0.291 223 N C -0.059 175.474 175.510 0.038 0.000 1.107 223 N CA -0.524 52.541 53.050 0.025 0.000 0.904 223 N CB 1.404 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 1.540 117.266 115.700 0.043 0.000 2.549 224 S HA 0.085 4.555 4.470 -0.001 0.000 0.286 224 S C 0.835 175.480 174.600 0.075 0.000 1.314 224 S CA -0.224 58.017 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 0.611 nan 8.310 nan 0.000 0.498 225 S N 1.109 116.881 115.700 0.121 0.000 2.618 225 S HA 0.581 5.050 4.470 -0.001 0.000 0.242 225 S C 0.654 175.300 174.600 0.075 0.000 0.972 225 S CA -0.254 58.014 58.200 0.113 0.000 1.004 225 S CB -0.696 62.597 63.200 0.155 0.000 0.778 225 S HN 1.543 nan 8.310 nan 0.000 0.459 226 G N 0.361 109.169 108.800 0.014 0.000 2.328 226 G HA2 0.324 4.284 3.960 -0.001 0.000 0.299 226 G HA3 0.324 4.284 3.960 -0.001 0.000 0.299 226 G C -1.901 172.900 174.900 -0.165 0.000 1.435 226 G CA -1.072 43.852 45.100 -0.293 0.000 0.865 226 G HN 0.281 nan 8.290 nan 0.000 0.601 227 N N -1.028 117.486 118.700 -0.311 0.000 2.545 227 N HA 0.466 5.205 4.740 -0.001 0.000 0.289 227 N C -1.010 174.405 175.510 -0.158 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 2.577 123.726 121.300 -0.253 0.000 2.367 228 W HA 0.189 4.849 4.660 -0.001 0.000 0.329 228 W C -1.054 175.294 176.519 -0.284 0.000 1.066 228 W CA 0.025 57.294 57.345 -0.126 0.000 1.435 228 W CB -0.087 29.343 29.460 -0.049 0.000 1.296 228 W HN 0.479 nan 8.180 nan 0.000 0.401 229 H N 5.319 124.294 119.070 -0.159 0.000 2.700 229 H HA 0.180 4.736 4.556 -0.001 0.000 0.269 229 H C -0.204 174.997 175.328 -0.211 0.000 1.222 229 H CA -0.215 55.763 56.048 -0.117 0.000 1.254 229 H CB 0.967 30.654 29.762 -0.126 0.000 1.413 229 H HN 0.165 nan 8.280 nan 0.000 0.507 230 C N 4.105 123.406 119.300 0.002 0.000 2.437 230 C HA 0.386 4.846 4.460 -0.001 0.000 0.307 230 C C -0.541 174.502 174.990 0.090 0.000 1.093 230 C CA -0.277 58.747 59.018 0.010 0.000 1.463 230 C CB -0.709 27.092 27.740 0.102 0.000 1.926 230 C HN 0.873 nan 8.230 nan 0.000 0.420 231 D N 1.921 122.349 120.400 0.046 0.000 2.665 231 D HA 0.712 5.352 4.640 -0.001 0.000 0.287 231 D C -1.288 175.013 176.300 0.002 0.000 1.266 231 D CA 0.179 54.208 54.000 0.048 0.000 0.830 231 D CB 2.296 43.136 40.800 0.066 0.000 1.356 231 D HN 0.595 nan 8.370 nan 0.000 0.437 232 S N 0.504 116.207 115.700 0.005 0.000 2.562 232 S HA 0.704 5.173 4.470 -0.001 0.000 0.274 232 S C -1.863 172.722 174.600 -0.026 0.000 1.160 232 S CA -0.811 57.348 58.200 -0.069 0.000 0.933 232 S CB 1.562 64.694 63.200 -0.115 0.000 1.100 232 S HN 0.423 nan 8.310 nan 0.000 0.468 233 Q N 1.419 121.159 119.800 -0.100 0.000 2.416 233 Q HA 0.746 5.085 4.340 -0.001 0.000 0.281 233 Q C -1.866 174.085 176.000 -0.082 0.000 1.067 233 Q CA -0.502 55.317 55.803 0.027 0.000 0.809 233 Q CB 0.484 29.266 28.738 0.073 0.000 1.418 233 Q HN 0.743 nan 8.270 nan 0.000 0.411 234 W N 1.421 122.740 121.300 0.031 0.000 2.512 234 W HA 0.577 5.237 4.660 -0.001 0.000 0.335 234 W C -0.059 176.477 176.519 0.028 0.000 1.088 234 W CA -0.777 56.589 57.345 0.035 0.000 1.236 234 W CB 1.009 30.484 29.460 0.025 0.000 1.307 234 W HN 0.487 nan 8.180 nan 0.000 0.567 235 L N 3.296 124.660 121.223 0.235 0.000 3.014 235 L HA 0.244 4.584 4.340 -0.001 0.000 0.263 235 L C 1.625 178.578 176.870 0.139 0.000 1.207 235 L CA 0.720 55.647 54.840 0.145 0.000 1.017 235 L CB -0.674 41.437 42.059 0.086 0.000 1.360 235 L HN 0.999 nan 8.230 nan 0.000 0.560 236 G N 1.049 109.963 108.800 0.191 0.000 2.412 236 G HA2 -0.434 3.526 3.960 -0.001 0.000 0.252 236 G HA3 -0.434 3.526 3.960 -0.001 0.000 0.252 236 G C 0.939 175.909 174.900 0.116 0.000 1.038 236 G CA 1.107 46.285 45.100 0.129 0.000 0.628 236 G HN 0.396 nan 8.290 nan 0.000 0.531 237 D N 0.023 120.494 120.400 0.118 0.000 2.449 237 D HA 0.225 4.865 4.640 -0.001 0.000 0.210 237 D C 1.099 177.489 176.300 0.150 0.000 1.094 237 D CA 0.938 55.003 54.000 0.110 0.000 0.846 237 D CB 0.248 41.094 40.800 0.077 0.000 1.003 237 D HN 0.849 nan 8.370 nan 0.000 0.504 238 R N -1.605 118.990 120.500 0.159 0.000 2.741 238 R HA 0.574 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 1.044 31.410 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 -1.603 174.441 176.094 -0.084 0.000 1.077 239 V CA -0.868 61.301 62.300 -0.219 0.000 0.910 239 V CB 1.941 33.320 31.823 -0.739 0.000 1.008 239 V HN 0.678 nan 8.190 nan 0.000 0.424 240 I N 5.710 126.181 120.570 -0.164 0.000 2.362 240 I HA 0.539 4.708 4.170 -0.001 0.000 0.289 240 I C 0.404 176.439 176.117 -0.137 0.000 0.994 240 I CA 0.016 61.265 61.300 -0.085 0.000 1.158 240 I CB 2.057 40.008 38.000 -0.082 0.000 1.315 240 I HN 0.792 nan 8.210 nan 0.000 0.451 241 T N 1.448 115.959 114.554 -0.071 0.000 2.771 241 T HA 0.723 5.073 4.350 -0.001 0.000 0.281 241 T C -0.125 174.553 174.700 -0.037 0.000 0.982 241 T CA -0.633 61.398 62.100 -0.115 0.000 0.978 241 T CB 1.019 69.757 68.868 -0.217 0.000 0.930 241 T HN 0.475 nan 8.240 nan 0.000 0.447 242 T N 2.444 116.971 114.554 -0.045 0.000 2.829 242 T HA 0.675 5.025 4.350 -0.001 0.000 0.280 242 T C -0.534 174.139 174.700 -0.045 0.000 0.999 242 T CA -0.807 61.269 62.100 -0.040 0.000 0.983 242 T CB 1.640 70.481 68.868 -0.045 0.000 0.968 242 T HN 0.701 nan 8.240 nan 0.000 0.446 243 S N 1.607 117.264 115.700 -0.071 0.000 2.619 243 S HA 0.661 5.131 4.470 -0.001 0.000 0.280 243 S C -0.904 173.563 174.600 -0.221 0.000 1.150 243 S CA -0.555 57.573 58.200 -0.119 0.000 0.978 243 S CB 0.973 64.122 63.200 -0.085 0.000 1.041 243 S HN 0.711 nan 8.310 nan 0.000 0.485 244 T N 5.430 119.736 114.554 -0.414 0.000 2.863 244 T HA 0.708 5.058 4.350 -0.001 0.000 0.285 244 T C -0.805 173.534 174.700 -0.602 0.000 1.009 244 T CA -0.946 60.746 62.100 -0.680 0.000 0.989 244 T CB 1.139 69.184 68.868 -1.372 0.000 1.004 244 T HN 0.486 nan 8.240 nan 0.000 0.455 245 R N 1.013 121.371 120.500 -0.236 0.000 2.774 245 R HA 0.603 4.942 4.340 -0.001 0.000 0.272 245 R C -0.920 175.566 176.300 0.311 0.000 1.000 245 R CA -0.811 55.398 56.100 0.182 0.000 0.906 245 R CB 1.649 32.144 30.300 0.326 0.000 1.227 245 R HN 0.575 nan 8.270 nan 0.000 0.468 246 T N 2.714 117.497 114.554 0.382 0.000 2.837 246 T HA 0.543 4.892 4.350 -0.001 0.000 0.285 246 T C -0.293 174.475 174.700 0.114 0.000 0.984 246 T CA -0.559 61.637 62.100 0.160 0.000 1.049 246 T CB 0.637 69.561 68.868 0.094 0.000 0.947 246 T HN 0.462 nan 8.240 nan 0.000 0.472 247 W N 0.571 121.799 121.300 -0.119 0.000 2.864 247 W HA 0.820 5.480 4.660 -0.001 0.000 0.343 247 W C -1.441 174.902 176.519 -0.293 0.000 1.109 247 W CA -1.690 55.350 57.345 -0.507 0.000 1.192 247 W CB 1.353 30.501 29.460 -0.520 0.000 1.426 247 W HN 0.736 nan 8.180 nan 0.000 0.529 248 A N 2.942 125.761 122.820 -0.002 0.000 2.386 248 A HA 0.789 5.109 4.320 -0.001 0.000 0.311 248 A C -2.156 175.548 177.584 0.200 0.000 1.068 248 A CA -0.789 51.304 52.037 0.094 0.000 0.743 248 A CB 2.004 21.011 19.000 0.011 0.000 1.258 248 A HN 0.692 nan 8.150 nan 0.000 0.429 249 L N 3.673 125.065 121.223 0.282 0.000 2.404 249 L HA 0.672 5.012 4.340 -0.001 0.000 0.272 249 L C -2.646 174.277 176.870 0.089 0.000 0.980 249 L CA -1.556 53.386 54.840 0.169 0.000 0.836 249 L CB 2.129 44.314 42.059 0.211 0.000 1.238 249 L HN 0.451 nan 8.230 nan 0.000 0.408 250 P HA 0.382 nan 4.420 nan 0.000 0.312 250 P C -1.034 176.103 177.300 -0.270 0.000 1.308 250 P CA -0.384 62.577 63.100 -0.232 0.000 0.743 250 P CB 0.575 31.971 31.700 -0.507 0.000 1.364 251 T N 0.130 114.494 114.554 -0.317 0.000 2.929 251 T HA 0.356 4.705 4.350 -0.001 0.000 0.331 251 T C -0.492 173.990 174.700 -0.363 0.000 1.120 251 T CA -0.041 61.864 62.100 -0.325 0.000 0.973 251 T CB -0.990 67.644 68.868 -0.391 0.000 1.036 251 T HN 0.108 nan 8.240 nan 0.000 0.502 252 Y N 2.143 122.343 120.300 -0.166 0.000 2.397 252 Y HA 0.125 4.675 4.550 -0.001 0.000 0.335 252 Y C 1.721 177.538 175.900 -0.138 0.000 1.213 252 Y CA 0.036 58.064 58.100 -0.120 0.000 1.391 252 Y CB 0.307 38.726 38.460 -0.068 0.000 1.293 252 Y HN 0.693 nan 8.280 nan 0.000 0.557 253 N N 1.730 120.488 118.700 0.096 0.000 2.690 253 N HA -0.411 4.328 4.740 -0.001 0.000 0.249 253 N C -0.194 175.307 175.510 -0.014 0.000 1.125 253 N CA 0.806 53.880 53.050 0.039 0.000 0.794 253 N CB -0.575 37.938 38.487 0.043 0.000 1.152 253 N HN 0.784 nan 8.380 nan 0.000 0.571 254 N N -0.061 118.569 118.700 -0.117 0.000 2.735 254 N HA -0.203 4.537 4.740 -0.001 0.000 0.248 254 N C -0.574 174.848 175.510 -0.146 0.000 1.083 254 N CA 2.029 54.975 53.050 -0.173 0.000 0.703 254 N CB -1.729 36.754 38.487 -0.007 0.000 1.005 254 N HN 0.764 nan 8.380 nan 0.000 0.550 255 H N -2.874 116.149 119.070 -0.078 0.000 2.899 255 H HA -0.189 4.366 4.556 -0.001 0.000 0.282 255 H C -0.180 175.149 175.328 0.000 0.000 1.198 255 H CA 1.125 57.093 56.048 -0.133 0.000 1.140 255 H CB -1.205 28.341 29.762 -0.361 0.000 1.317 255 H HN 0.302 nan 8.280 nan 0.000 0.375 256 L N 0.400 121.693 121.223 0.117 0.000 2.362 256 L HA 0.445 4.784 4.340 -0.001 0.000 0.271 256 L C -0.155 176.808 176.870 0.156 0.000 1.002 256 L CA -1.010 53.946 54.840 0.193 0.000 0.818 256 L CB 1.216 43.383 42.059 0.180 0.000 1.298 256 L HN 0.029 nan 8.230 nan 0.000 0.420 257 Y N 2.241 122.685 120.300 0.239 0.000 2.404 257 Y HA 0.291 4.840 4.550 -0.001 0.000 0.344 257 Y C -0.004 176.037 175.900 0.235 0.000 0.995 257 Y CA -0.213 58.060 58.100 0.289 0.000 1.201 257 Y CB 0.837 39.533 38.460 0.395 0.000 1.151 257 Y HN 0.297 nan 8.280 nan 0.000 0.517 258 K N 3.002 123.583 120.400 0.300 0.000 2.292 258 K HA 0.244 4.564 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 -1.025 55.372 56.287 0.184 0.000 0.811 258 K CB 1.876 34.429 32.500 0.088 0.000 1.120 258 K HN 0.591 nan 8.250 nan 0.000 0.428 259 Q N 4.762 124.586 119.800 0.040 0.000 2.296 259 Q HA 0.248 4.587 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 -0.308 55.290 55.803 -0.342 0.000 0.905 259 Q CB 0.421 28.982 28.738 -0.294 0.000 1.186 259 Q HN 0.631 nan 8.270 nan 0.000 0.399 260 I N 0.723 120.923 120.570 -0.615 0.000 2.740 260 I HA 0.821 4.991 4.170 -0.001 0.000 0.303 260 I C -0.654 175.061 176.117 -0.670 0.000 1.044 260 I CA -0.712 60.316 61.300 -0.452 0.000 1.064 260 I CB 2.331 40.175 38.000 -0.261 0.000 1.249 260 I HN 0.771 nan 8.210 nan 0.000 0.433 261 S N 2.162 117.535 115.700 -0.545 0.000 2.724 261 S HA 0.529 4.999 4.470 -0.001 0.000 0.278 261 S C -0.567 173.640 174.600 -0.654 0.000 1.190 261 S CA -0.333 57.439 58.200 -0.714 0.000 0.860 261 S CB 0.804 63.891 63.200 -0.189 0.000 1.206 261 S HN 1.052 nan 8.310 nan 0.000 0.507 262 S N 0.962 116.409 115.700 -0.422 0.000 2.601 262 S HA 0.473 4.942 4.470 -0.001 0.000 0.271 262 S C -0.083 174.552 174.600 0.059 0.000 1.305 262 S CA -0.579 57.624 58.200 0.006 0.000 1.022 262 S CB 0.554 63.904 63.200 0.250 0.000 0.940 262 S HN 0.751 nan 8.310 nan 0.000 0.525 263 Q N 1.586 121.433 119.800 0.078 0.000 2.286 263 Q HA 0.068 4.408 4.340 -0.001 0.000 0.290 263 Q C -0.314 175.724 176.000 0.063 0.000 1.049 263 Q CA 0.422 56.253 55.803 0.047 0.000 0.923 263 Q CB 0.450 29.205 28.738 0.028 0.000 1.183 263 Q HN 0.818 nan 8.270 nan 0.000 0.383 264 S N 3.096 118.826 115.700 0.050 0.000 2.945 264 S HA 0.129 4.598 4.470 -0.001 0.000 0.344 264 S C 0.834 175.470 174.600 0.060 0.000 1.066 264 S CA 0.666 58.900 58.200 0.057 0.000 1.721 264 S CB -0.931 62.286 63.200 0.029 0.000 1.330 264 S HN 0.820 nan 8.310 nan 0.000 0.623 265 G N 1.857 110.721 108.800 0.105 0.000 2.248 265 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.263 265 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.263 265 G C 0.589 175.499 174.900 0.017 0.000 1.082 265 G CA 0.085 45.232 45.100 0.079 0.000 0.863 265 G HN 0.897 nan 8.290 nan 0.000 0.495 266 A N -1.205 121.603 122.820 -0.019 0.000 1.924 266 A HA 0.766 5.086 4.320 -0.001 0.000 0.211 266 A C 1.313 178.829 177.584 -0.113 0.000 1.198 266 A CA 1.879 53.883 52.037 -0.055 0.000 0.657 266 A CB 0.492 19.466 19.000 -0.042 0.000 0.852 266 A HN 1.504 nan 8.150 nan 0.000 0.454 267 S N -2.509 113.063 115.700 -0.215 0.000 2.547 267 S HA 0.346 4.816 4.470 -0.001 0.000 0.270 267 S C 0.196 174.510 174.600 -0.477 0.000 1.150 267 S CA -0.313 57.729 58.200 -0.263 0.000 0.850 267 S CB 1.304 64.367 63.200 -0.229 0.000 1.118 267 S HN 0.464 nan 8.310 nan 0.000 0.461 268 N N 0.816 119.370 118.700 -0.243 0.000 2.508 268 N HA 0.008 4.748 4.740 -0.001 0.000 0.186 268 N C -0.019 175.515 175.510 0.040 0.000 1.034 268 N CA 0.297 53.316 53.050 -0.052 0.000 0.885 268 N CB 0.063 38.605 38.487 0.092 0.000 1.135 268 N HN 0.525 nan 8.380 nan 0.000 0.435 269 D N 0.643 121.038 120.400 -0.008 0.000 2.363 269 D HA 0.012 4.652 4.640 -0.001 0.000 0.226 269 D C 0.008 176.310 176.300 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 0.463 nan 8.370 nan 0.000 0.531 270 N N -0.588 118.073 118.700 -0.066 0.000 2.200 270 N HA -0.003 4.736 4.740 -0.001 0.000 0.224 270 N C -0.021 175.525 175.510 0.060 0.000 1.179 270 N CA -0.373 52.641 53.050 -0.060 0.000 0.877 270 N CB 0.709 39.109 38.487 -0.145 0.000 1.072 270 N HN 0.059 nan 8.380 nan 0.000 0.519 271 H N 1.312 120.466 119.070 0.141 0.000 2.928 271 H HA 0.026 4.582 4.556 -0.001 0.000 0.338 271 H C -0.469 175.043 175.328 0.306 0.000 1.047 271 H CA 0.652 56.821 56.048 0.201 0.000 1.435 271 H CB 0.174 30.001 29.762 0.108 0.000 1.428 271 H HN 0.290 nan 8.280 nan 0.000 0.590 272 Y N 1.385 121.809 120.300 0.205 0.000 2.656 272 Y HA 0.513 5.062 4.550 -0.001 0.000 0.334 272 Y C -2.158 173.861 175.900 0.198 0.000 1.179 272 Y CA -1.377 56.816 58.100 0.156 0.000 1.050 272 Y CB 1.515 40.023 38.460 0.080 0.000 1.308 272 Y HN 0.383 nan 8.280 nan 0.000 0.456 273 F N 1.145 121.026 119.950 -0.116 0.000 2.596 273 F HA 0.842 5.369 4.527 -0.001 0.000 0.311 273 F C -0.352 175.358 175.800 -0.150 0.000 1.116 273 F CA 0.002 57.846 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 2.808 111.041 108.800 -0.946 0.000 2.500 274 G HA2 0.450 4.410 3.960 -0.001 0.000 0.299 274 G HA3 0.450 4.410 3.960 -0.001 0.000 0.299 274 G C -2.438 171.803 174.900 -1.098 0.000 1.242 274 G CA -0.599 44.083 45.100 -0.697 0.000 0.859 274 G HN 0.552 nan 8.290 nan 0.000 0.481 275 Y N -0.892 119.020 120.300 -0.647 0.000 2.581 275 Y HA 0.755 5.305 4.550 -0.001 0.000 0.345 275 Y C 0.142 175.830 175.900 -0.354 0.000 1.036 275 Y CA -0.768 57.074 58.100 -0.431 0.000 1.042 275 Y CB 2.656 41.008 38.460 -0.180 0.000 1.289 275 Y HN 0.558 nan 8.280 nan 0.000 0.471 276 S N 1.096 116.828 115.700 0.052 0.000 2.552 276 S HA 0.596 5.066 4.470 -0.001 0.000 0.314 276 S C -0.715 173.932 174.600 0.077 0.000 1.099 276 S CA -0.571 57.638 58.200 0.015 0.000 1.070 276 S CB 0.325 63.519 63.200 -0.010 0.000 0.998 276 S HN 0.701 nan 8.310 nan 0.000 0.474 277 T N 2.338 116.926 114.554 0.057 0.000 2.945 277 T HA 0.601 4.951 4.350 -0.001 0.000 0.286 277 T C -2.537 172.141 174.700 -0.037 0.000 1.025 277 T CA -2.098 59.953 62.100 -0.081 0.000 1.039 277 T CB 1.402 70.422 68.868 0.253 0.000 1.068 277 T HN 0.296 nan 8.240 nan 0.000 0.497 278 P HA 0.194 nan 4.420 nan 0.000 0.249 278 P C -0.863 176.429 177.300 -0.013 0.000 1.241 278 P CA -0.119 62.951 63.100 -0.049 0.000 0.781 278 P CB -0.178 31.447 31.700 -0.125 0.000 1.088 279 W N 0.421 121.730 121.300 0.014 0.000 2.438 279 W HA 0.570 5.229 4.660 -0.001 0.000 0.324 279 W C 1.040 177.579 176.519 0.032 0.000 1.119 279 W CA -0.081 57.292 57.345 0.046 0.000 1.221 279 W CB 0.985 30.468 29.460 0.038 0.000 1.253 279 W HN -0.157 nan 8.180 nan 0.000 0.555 280 G N 1.125 110.053 108.800 0.214 0.000 2.557 280 G HA2 0.696 4.656 3.960 -0.001 0.000 0.302 280 G HA3 0.696 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 -0.621 44.508 45.100 0.049 0.000 1.030 280 G HN 0.600 nan 8.290 nan 0.000 0.509 281 Y N -3.089 117.077 120.300 -0.224 0.000 2.641 281 Y HA 0.684 5.233 4.550 -0.001 0.000 0.333 281 Y C -1.832 173.889 175.900 -0.299 0.000 1.174 281 Y CA -2.087 55.865 58.100 -0.248 0.000 1.057 281 Y CB 0.951 39.282 38.460 -0.215 0.000 1.322 281 Y HN 0.389 nan 8.280 nan 0.000 0.457 282 F N 1.951 121.893 119.950 -0.014 0.000 2.404 282 F HA 0.502 5.029 4.527 -0.001 0.000 0.339 282 F C -0.170 175.671 175.800 0.067 0.000 1.105 282 F CA -0.002 58.026 58.000 0.047 0.000 1.087 282 F CB 1.443 40.542 39.000 0.165 0.000 1.143 282 F HN 0.586 nan 8.300 nan 0.000 0.491 283 D N 2.681 123.210 120.400 0.215 0.000 2.780 283 D HA 0.429 5.069 4.640 -0.001 0.000 0.242 283 D C -0.873 175.494 176.300 0.111 0.000 1.135 283 D CA -0.500 53.517 54.000 0.029 0.000 0.859 283 D CB 1.156 41.979 40.800 0.038 0.000 1.530 283 D HN 0.293 nan 8.370 nan 0.000 0.493 284 F N 1.059 121.104 119.950 0.158 0.000 2.608 284 F HA 0.390 4.917 4.527 -0.001 0.000 0.383 284 F C 0.246 176.126 175.800 0.132 0.000 1.371 284 F CA -0.824 57.255 58.000 0.132 0.000 1.123 284 F CB -0.919 38.236 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 -0.196 175.108 175.510 -0.344 0.000 1.170 285 N CA -0.096 52.562 53.050 -0.653 0.000 0.833 285 N CB 0.257 38.159 38.487 -0.975 0.000 1.069 285 N HN 0.349 nan 8.380 nan 0.000 0.479 286 R N -0.538 119.861 120.500 -0.169 0.000 2.637 286 R HA 0.222 4.562 4.340 -0.001 0.000 0.291 286 R C 0.077 176.307 176.300 -0.116 0.000 0.963 286 R CA -0.643 55.319 56.100 -0.229 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 0.910 120.877 119.950 0.028 0.000 2.171 287 F HA -0.169 4.357 4.527 -0.001 0.000 0.300 287 F C 2.253 178.155 175.800 0.170 0.000 1.090 287 F CA 1.623 59.754 58.000 0.218 0.000 1.293 287 F CB -0.066 38.912 39.000 -0.036 0.000 1.013 287 F HN 0.715 nan 8.300 nan 0.000 0.486 288 H N -2.945 116.245 119.070 0.201 0.000 2.563 288 H HA -0.011 4.545 4.556 -0.001 0.000 0.272 288 H C 1.680 177.050 175.328 0.071 0.000 1.005 288 H CA 0.406 56.518 56.048 0.107 0.000 1.171 288 H CB -1.451 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 0.539 119.790 119.300 -0.082 0.000 2.448 289 C HA -0.002 4.457 4.460 -0.001 0.000 0.280 289 C C 1.734 176.482 174.990 -0.403 0.000 1.398 289 C CA 0.849 59.704 59.018 -0.272 0.000 1.774 289 C CB -0.632 26.805 27.740 -0.504 0.000 1.888 289 C HN 0.800 nan 8.230 nan 0.000 0.519 290 H N -2.923 116.246 119.070 0.164 0.000 2.545 290 H HA 0.225 4.780 4.556 -0.001 0.000 0.251 290 H C -0.041 175.213 175.328 -0.124 0.000 0.934 290 H CA 0.153 56.211 56.048 0.017 0.000 1.116 290 H CB -0.111 29.681 29.762 0.051 0.000 1.439 290 H HN 0.312 nan 8.280 nan 0.000 0.445 291 F N 3.497 123.601 119.950 0.256 0.000 2.411 291 F HA 0.209 4.736 4.527 -0.001 0.000 0.355 291 F C 1.106 176.992 175.800 0.144 0.000 1.117 291 F CA -0.805 57.308 58.000 0.189 0.000 1.139 291 F CB 1.081 40.261 39.000 0.300 0.000 1.120 291 F HN -0.019 nan 8.300 nan 0.000 0.493 292 S N 3.939 119.794 115.700 0.258 0.000 2.584 292 S HA 0.218 4.687 4.470 -0.001 0.000 0.270 292 S C -1.860 172.845 174.600 0.175 0.000 1.346 292 S CA -1.012 57.298 58.200 0.184 0.000 1.018 292 S CB 1.215 64.503 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 1.736 179.022 177.300 -0.024 0.000 1.157 293 P CA 1.215 64.216 63.100 -0.165 0.000 0.874 293 P CB -0.057 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 1.774 178.150 176.300 0.127 0.000 1.142 294 R CA 1.998 58.146 56.100 0.079 0.000 0.960 294 R CB -1.657 28.703 30.300 0.100 0.000 0.858 294 R HN 0.120 nan 8.270 nan 0.000 0.439 295 D N -0.612 119.937 120.400 0.248 0.000 2.097 295 D HA -0.220 4.419 4.640 -0.001 0.000 0.195 295 D C 1.653 178.178 176.300 0.374 0.000 0.989 295 D CA 1.205 55.473 54.000 0.447 0.000 0.827 295 D CB -0.614 40.514 40.800 0.547 0.000 0.966 295 D HN 0.373 nan 8.370 nan 0.000 0.456 296 W N 2.042 123.372 121.300 0.051 0.000 2.325 296 W HA -0.241 4.418 4.660 -0.001 0.000 0.299 296 W C 2.154 178.521 176.519 -0.254 0.000 1.215 296 W CA 1.449 58.664 57.345 -0.218 0.000 1.244 296 W CB -0.095 29.193 29.460 -0.287 0.000 1.140 296 W HN 0.114 nan 8.180 nan 0.000 0.523 297 Q N 0.319 120.069 119.800 -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 1.824 57.513 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 0.266 nan 8.270 nan 0.000 0.426 298 R N 0.160 120.544 120.500 -0.194 0.000 2.081 298 R HA -0.125 4.215 4.340 -0.001 0.000 0.235 298 R C 2.479 178.562 176.300 -0.361 0.000 1.131 298 R CA 1.344 57.224 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 0.786 121.885 121.223 -0.208 0.000 1.976 299 L HA -0.190 4.150 4.340 -0.001 0.000 0.209 299 L C 2.147 178.800 176.870 -0.361 0.000 1.071 299 L CA 1.277 55.985 54.840 -0.220 0.000 0.746 299 L CB -0.197 41.562 42.059 -0.499 0.000 0.890 299 L HN 0.134 nan 8.230 nan 0.000 0.432 300 I N 0.630 120.867 120.570 -0.555 0.000 2.208 300 I HA -0.301 3.869 4.170 -0.001 0.000 0.245 300 I C 1.797 177.781 176.117 -0.220 0.000 1.097 300 I CA 1.464 62.482 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 0.937 119.508 118.700 -0.216 0.000 2.398 301 N HA -0.025 4.714 4.740 -0.001 0.000 0.188 301 N C 0.871 176.347 175.510 -0.057 0.000 1.122 301 N CA 0.352 53.340 53.050 -0.104 0.000 0.866 301 N CB -0.027 38.391 38.487 -0.115 0.000 0.970 301 N HN 0.452 nan 8.380 nan 0.000 0.462 302 N N -0.234 118.421 118.700 -0.075 0.000 2.113 302 N HA 0.094 4.834 4.740 -0.001 0.000 0.223 302 N C -0.799 174.684 175.510 -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 -0.221 118.511 118.700 0.053 0.000 2.346 303 N HA 0.146 4.886 4.740 -0.001 0.000 0.289 303 N C 0.277 175.998 175.510 0.352 0.000 1.027 303 N CA -0.435 52.692 53.050 0.128 0.000 0.864 303 N CB 1.681 40.251 38.487 0.138 0.000 1.370 303 N HN 0.119 nan 8.380 nan 0.000 0.481 304 W N 1.997 123.285 121.300 -0.021 0.000 2.341 304 W HA -0.130 4.529 4.660 -0.001 0.000 0.283 304 W C 1.092 177.644 176.519 0.055 0.000 1.215 304 W CA 0.230 57.549 57.345 -0.044 0.000 1.211 304 W CB 0.396 29.742 29.460 -0.190 0.000 1.131 304 W HN 0.615 nan 8.180 nan 0.000 0.552 305 G N -1.613 107.378 108.800 0.318 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 -1.781 173.473 174.900 0.590 0.000 1.330 305 G CA -0.572 44.743 45.100 0.359 0.000 0.813 305 G HN 0.128 nan 8.290 nan 0.000 0.487 306 F N -1.406 118.965 119.950 0.701 0.000 2.858 306 F HA 0.930 5.457 4.527 -0.001 0.000 0.319 306 F C -0.887 175.312 175.800 0.666 0.000 1.166 306 F CA -1.137 57.311 58.000 0.747 0.000 0.899 306 F CB 1.436 40.678 39.000 0.403 0.000 1.332 306 F HN 0.996 nan 8.300 nan 0.000 0.461 307 R N -0.035 120.788 120.500 0.539 0.000 2.728 307 R HA 0.725 5.065 4.340 -0.001 0.000 0.274 307 R C -3.641 172.628 176.300 -0.052 0.000 1.032 307 R CA -1.855 54.205 56.100 -0.067 0.000 0.866 307 R CB 1.744 31.721 30.300 -0.538 0.000 1.263 307 R HN 0.396 nan 8.270 nan 0.000 0.475 308 P HA 0.356 nan 4.420 nan 0.000 0.279 308 P C -0.767 176.024 177.300 -0.848 0.000 1.252 308 P CA -0.597 61.768 63.100 -1.226 0.000 0.811 308 P CB 1.222 31.594 31.700 -2.214 0.000 1.035 309 K N 0.532 120.531 120.400 -0.668 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 0.805 56.938 56.287 -0.258 0.000 0.880 309 K CB 0.287 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 0.222 120.581 120.400 -0.068 0.000 2.378 310 K HA 0.566 4.886 4.320 -0.001 0.000 0.244 310 K C -1.342 175.290 176.600 0.053 0.000 1.039 310 K CA -0.954 55.323 56.287 -0.017 0.000 0.863 310 K CB 1.984 34.418 32.500 -0.110 0.000 1.326 310 K HN -0.072 nan 8.250 nan 0.000 0.460 311 L N -0.287 120.939 121.223 0.005 0.000 2.565 311 L HA 0.394 4.734 4.340 -0.001 0.000 0.261 311 L C -1.851 174.986 176.870 -0.055 0.000 0.932 311 L CA 0.028 54.883 54.840 0.025 0.000 0.878 311 L CB 2.421 44.563 42.059 0.139 0.000 1.333 311 L HN 0.513 nan 8.230 nan 0.000 0.409 312 S N 4.504 120.179 115.700 -0.041 0.000 2.605 312 S HA 0.654 5.123 4.470 -0.001 0.000 0.308 312 S C -1.245 173.394 174.600 0.064 0.000 1.113 312 S CA -0.287 57.889 58.200 -0.040 0.000 1.049 312 S CB 1.011 64.153 63.200 -0.097 0.000 1.001 312 S HN 0.496 nan 8.310 nan 0.000 0.480 313 F N 3.412 123.371 119.950 0.014 0.000 2.469 313 F HA 0.687 5.213 4.527 -0.001 0.000 0.332 313 F C -0.279 175.591 175.800 0.117 0.000 1.103 313 F CA -0.488 57.571 58.000 0.098 0.000 0.979 313 F CB 0.985 40.173 39.000 0.314 0.000 1.137 313 F HN 0.416 nan 8.300 nan 0.000 0.463 314 K N 7.285 127.311 120.400 -0.623 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 1.577 34.043 32.500 -0.057 0.000 1.267 314 K HN 0.773 nan 8.250 nan 0.000 0.434 315 L N 5.872 127.164 121.223 0.114 0.000 2.346 315 L HA 0.698 5.038 4.340 -0.001 0.000 0.276 315 L C -0.742 176.384 176.870 0.426 0.000 1.006 315 L CA -0.873 54.054 54.840 0.146 0.000 0.817 315 L CB 0.988 43.121 42.059 0.123 0.000 1.272 315 L HN 0.704 nan 8.230 nan 0.000 0.421 316 F N -0.636 119.418 119.950 0.173 0.000 2.877 316 F HA 0.367 4.893 4.527 -0.001 0.000 0.319 316 F C -0.163 175.707 175.800 0.116 0.000 1.174 316 F CA -1.470 56.608 58.000 0.129 0.000 0.903 316 F CB 1.076 40.118 39.000 0.070 0.000 1.357 316 F HN 0.483 nan 8.300 nan 0.000 0.472 317 N N 0.579 119.434 118.700 0.258 0.000 2.705 317 N HA -0.200 4.539 4.740 -0.001 0.000 0.255 317 N C -1.104 174.390 175.510 -0.027 0.000 1.008 317 N CA 0.519 53.631 53.050 0.104 0.000 0.742 317 N CB -1.069 37.484 38.487 0.110 0.000 0.906 317 N HN 0.487 nan 8.380 nan 0.000 0.541 318 I N 0.901 121.488 120.570 0.029 0.000 2.474 318 I HA 0.095 4.264 4.170 -0.001 0.000 0.287 318 I C 0.491 176.574 176.117 -0.057 0.000 1.048 318 I CA 0.116 61.413 61.300 -0.005 0.000 1.383 318 I CB 0.898 38.973 38.000 0.126 0.000 1.412 318 I HN 0.137 nan 8.210 nan 0.000 0.531 319 Q N 5.426 125.143 119.800 -0.139 0.000 2.285 319 Q HA 0.510 4.850 4.340 -0.001 0.000 0.269 319 Q C -1.402 174.483 176.000 -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 3.333 123.154 119.914 -0.155 0.000 2.347 320 V HA 0.354 4.474 4.120 -0.001 0.000 0.280 320 V C -0.325 175.621 176.094 -0.246 0.000 1.021 320 V CA -0.635 61.551 62.300 -0.191 0.000 0.847 320 V CB 1.163 32.929 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 0.563 4.882 4.320 -0.001 0.000 0.260 321 K C -0.349 176.117 176.600 -0.225 0.000 0.951 321 K CA -0.604 55.445 56.287 -0.396 0.000 0.826 321 K CB 2.523 34.639 32.500 -0.640 0.000 1.108 321 K HN 0.893 nan 8.250 nan 0.000 0.433 322 E N 0.285 120.452 120.200 -0.055 0.000 2.183 322 E HA 0.495 4.845 4.350 -0.001 0.000 0.271 322 E C -0.860 175.787 176.600 0.079 0.000 0.919 322 E CA -1.010 55.411 56.400 0.036 0.000 0.781 322 E CB 1.980 31.697 29.700 0.029 0.000 1.140 322 E HN 0.135 nan 8.360 nan 0.000 0.402 323 V N 2.328 122.308 119.914 0.111 0.000 2.815 323 V HA 0.803 4.923 4.120 -0.001 0.000 0.314 323 V C -1.042 175.088 176.094 0.060 0.000 1.064 323 V CA 0.004 62.359 62.300 0.092 0.000 0.952 323 V CB 2.113 33.996 31.823 0.101 0.000 1.020 323 V HN 1.022 nan 8.190 nan 0.000 0.439 324 T N 2.808 117.388 114.554 0.043 0.000 2.928 324 T HA 0.578 4.928 4.350 -0.001 0.000 0.296 324 T C -0.924 173.789 174.700 0.022 0.000 1.000 324 T CA -0.671 61.449 62.100 0.033 0.000 0.989 324 T CB 1.573 70.460 68.868 0.031 0.000 1.005 324 T HN 0.602 nan 8.240 nan 0.000 0.442 325 Q N 2.953 122.764 119.800 0.017 0.000 2.503 325 Q HA 0.394 4.733 4.340 -0.001 0.000 0.227 325 Q C 0.861 176.867 176.000 0.010 0.000 1.109 325 Q CA -0.483 55.325 55.803 0.010 0.000 0.922 325 Q CB 0.534 29.275 28.738 0.005 0.000 1.249 325 Q HN 0.544 nan 8.270 nan 0.000 0.530 326 N N 1.137 119.843 118.700 0.009 0.000 2.132 326 N HA -0.076 4.663 4.740 -0.001 0.000 0.187 326 N C 0.097 175.610 175.510 0.005 0.000 1.038 326 N CA 1.244 54.299 53.050 0.009 0.000 0.846 326 N CB 0.417 38.909 38.487 0.009 0.000 1.012 326 N HN 0.445 nan 8.380 nan 0.000 0.429 327 D N -1.631 118.771 120.400 0.004 0.000 3.051 327 D HA 0.227 4.867 4.640 -0.001 0.000 0.216 327 D C 1.039 177.339 176.300 -0.000 0.000 1.454 327 D CA 0.493 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 0.225 nan 8.370 nan 0.000 0.212 328 G N -0.192 108.607 108.800 -0.001 0.000 3.839 328 G HA2 0.263 4.222 3.960 -0.001 0.000 0.286 328 G HA3 0.263 4.222 3.960 -0.001 0.000 0.286 328 G C -0.217 174.681 174.900 -0.004 0.000 1.005 328 G CA 0.110 45.208 45.100 -0.003 0.000 0.824 328 G HN 0.241 nan 8.290 nan 0.000 0.489 329 T N 0.690 115.243 114.554 -0.002 0.000 2.881 329 T HA 0.525 4.875 4.350 -0.001 0.000 0.290 329 T C -0.327 174.373 174.700 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 2.222 116.774 114.554 -0.002 0.000 2.738 330 T HA 0.533 4.883 4.350 -0.001 0.000 0.298 330 T C 0.413 175.118 174.700 0.008 0.000 0.962 330 T CA -0.800 61.301 62.100 0.001 0.000 0.972 330 T CB 0.266 69.130 68.868 -0.007 0.000 0.928 330 T HN 0.714 nan 8.240 nan 0.000 0.474 331 T N 1.998 116.561 114.554 0.015 0.000 2.837 331 T HA 0.663 5.013 4.350 -0.001 0.000 0.285 331 T C 0.002 174.722 174.700 0.034 0.000 0.984 331 T CA -0.941 61.171 62.100 0.020 0.000 1.049 331 T CB 0.499 69.377 68.868 0.017 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 4.839 4.170 -0.001 0.000 0.290 332 I C 0.161 176.301 176.117 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 5.327 128.163 122.820 0.026 0.000 2.479 333 A HA 0.626 4.946 4.320 -0.001 0.000 0.296 333 A C -0.892 176.679 177.584 -0.022 0.000 1.121 333 A CA -0.818 51.221 52.037 0.003 0.000 0.743 333 A CB 1.343 20.347 19.000 0.007 0.000 1.323 333 A HN 0.636 nan 8.150 nan 0.000 0.415 334 N N 1.978 120.662 118.700 -0.028 0.000 2.497 334 N HA 0.126 4.866 4.740 -0.001 0.000 0.271 334 N C -0.980 174.510 175.510 -0.034 0.000 1.142 334 N CA 0.173 53.196 53.050 -0.044 0.000 0.965 334 N CB 0.759 39.225 38.487 -0.036 0.000 1.077 334 N HN 0.590 nan 8.380 nan 0.000 0.462 335 N N 3.420 122.092 118.700 -0.046 0.000 2.699 335 N HA 0.204 4.944 4.740 -0.001 0.000 0.232 335 N C 0.900 176.393 175.510 -0.028 0.000 1.027 335 N CA -0.285 52.748 53.050 -0.029 0.000 0.920 335 N CB 0.328 38.800 38.487 -0.025 0.000 1.148 335 N HN 0.454 nan 8.380 nan 0.000 0.509 336 L N 0.987 122.199 121.223 -0.017 0.000 2.156 336 L HA -0.066 4.273 4.340 -0.001 0.000 0.208 336 L C 1.987 178.855 176.870 -0.004 0.000 1.095 336 L CA 1.282 56.115 54.840 -0.012 0.000 0.770 336 L CB -0.455 41.601 42.059 -0.007 0.000 0.914 336 L HN 0.529 nan 8.230 nan 0.000 0.439 337 T N -4.372 110.181 114.554 -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 -0.058 62.044 62.100 0.004 0.000 1.051 337 T CB 0.037 68.909 68.868 0.005 0.000 0.959 337 T HN 0.094 nan 8.240 nan 0.000 0.525 338 S N 1.948 117.646 115.700 -0.003 0.000 2.601 338 S HA 0.521 4.991 4.470 -0.001 0.000 0.271 338 S C 0.416 175.017 174.600 0.001 0.000 1.305 338 S CA -0.421 57.776 58.200 -0.006 0.000 1.022 338 S CB 0.704 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 0.229 114.783 114.554 0.000 0.000 2.905 339 T HA 0.794 5.144 4.350 -0.001 0.000 0.283 339 T C -0.568 174.138 174.700 0.011 0.000 1.031 339 T CA -0.786 61.323 62.100 0.015 0.000 1.002 339 T CB 1.327 70.206 68.868 0.019 0.000 1.200 339 T HN 0.609 nan 8.240 nan 0.000 0.560 340 V N 0.149 120.082 119.914 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 61.525 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 3.482 123.286 119.800 0.005 0.000 2.331 341 Q HA 0.764 5.104 4.340 -0.001 0.000 0.267 341 Q C -1.453 174.668 176.000 0.203 0.000 1.006 341 Q CA -0.636 55.234 55.803 0.112 0.000 0.818 341 Q CB 2.560 31.382 28.738 0.140 0.000 1.276 341 Q HN 0.552 nan 8.270 nan 0.000 0.450 342 V N 3.364 123.375 119.914 0.162 0.000 2.823 342 V HA 0.745 4.865 4.120 -0.001 0.000 0.312 342 V C -0.720 175.412 176.094 0.062 0.000 1.072 342 V CA -0.830 61.448 62.300 -0.036 0.000 0.937 342 V CB 1.329 32.820 31.823 -0.553 0.000 1.013 342 V HN 0.790 nan 8.190 nan 0.000 0.430 343 F N 0.317 120.117 119.950 -0.251 0.000 2.817 343 F HA 0.805 5.331 4.527 -0.001 0.000 0.317 343 F C -0.903 174.702 175.800 -0.325 0.000 1.168 343 F CA -0.685 57.190 58.000 -0.209 0.000 0.911 343 F CB 1.980 40.896 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 -0.237 0.000 2.841 344 T HA 0.286 4.636 4.350 -0.001 0.000 0.285 344 T C -1.532 172.994 174.700 -0.290 0.000 0.991 344 T CA -0.409 61.392 62.100 -0.499 0.000 0.966 344 T CB 0.909 69.371 68.868 -0.676 0.000 0.962 344 T HN 0.836 nan 8.240 nan 0.000 0.438 345 D N 3.380 123.520 120.400 -0.433 0.000 2.498 345 D HA 0.249 4.889 4.640 -0.001 0.000 0.229 345 D C 0.857 176.914 176.300 -0.405 0.000 1.188 345 D CA 0.109 53.924 54.000 -0.309 0.000 1.028 345 D CB 0.063 40.647 40.800 -0.361 0.000 1.087 345 D HN 0.428 nan 8.370 nan 0.000 0.510 346 S N 2.018 117.536 115.700 -0.303 0.000 2.501 346 S HA 0.008 4.477 4.470 -0.001 0.000 0.220 346 S C 1.249 175.563 174.600 -0.477 0.000 0.997 346 S CA 0.065 58.036 58.200 -0.382 0.000 0.919 346 S CB 0.231 63.375 63.200 -0.092 0.000 0.778 346 S HN 0.536 nan 8.310 nan 0.000 0.523 347 E N 0.292 120.328 120.200 -0.273 0.000 2.474 347 E HA 0.129 4.479 4.350 -0.001 0.000 0.195 347 E C -0.887 175.737 176.600 0.039 0.000 1.039 347 E CA -0.318 56.035 56.400 -0.077 0.000 0.881 347 E CB 0.057 29.765 29.700 0.013 0.000 0.970 347 E HN 0.538 nan 8.360 nan 0.000 0.486 348 Y N 0.512 120.829 120.300 0.027 0.000 3.078 348 Y HA -0.296 4.253 4.550 -0.001 0.000 0.202 348 Y C 1.050 176.935 175.900 -0.024 0.000 1.322 348 Y CA 0.319 58.413 58.100 -0.010 0.000 1.118 348 Y CB -2.421 36.026 38.460 -0.022 0.000 1.343 348 Y HN 0.205 nan 8.280 nan 0.000 0.499 349 Q N -0.109 119.735 119.800 0.073 0.000 2.396 349 Q HA 0.260 4.599 4.340 -0.001 0.000 0.209 349 Q C 0.374 176.293 176.000 -0.136 0.000 0.906 349 Q CA 0.185 56.018 55.803 0.051 0.000 0.927 349 Q CB 0.592 29.432 28.738 0.170 0.000 1.069 349 Q HN 0.551 nan 8.270 nan 0.000 0.523 350 L N 1.868 122.974 121.223 -0.194 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 -0.419 0.000 0.804 350 L CB 0.967 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 -0.121 nan 4.420 nan 0.000 0.260 351 P C -1.077 176.263 177.300 0.067 0.000 1.185 351 P CA 0.164 63.217 63.100 -0.080 0.000 0.763 351 P CB -0.017 31.635 31.700 -0.080 0.000 0.776 352 Y N 4.149 124.444 120.300 -0.008 0.000 2.584 352 Y HA 0.118 4.668 4.550 -0.001 0.000 0.351 352 Y C 1.211 177.120 175.900 0.015 0.000 1.030 352 Y CA 0.287 58.394 58.100 0.011 0.000 1.332 352 Y CB 0.364 38.848 38.460 0.041 0.000 1.148 352 Y HN 0.150 nan 8.280 nan 0.000 0.528 353 V N 7.060 126.803 119.914 -0.285 0.000 3.647 353 V HA 0.128 4.248 4.120 -0.001 0.000 0.279 353 V C 0.525 176.434 176.094 -0.308 0.000 1.314 353 V CA 0.305 62.456 62.300 -0.248 0.000 1.125 353 V CB -0.610 31.019 31.823 -0.324 0.000 0.907 353 V HN 0.589 nan 8.190 nan 0.000 0.434 354 L N -0.246 120.624 121.223 -0.587 0.000 2.488 354 L HA 0.569 4.909 4.340 -0.001 0.000 0.249 354 L C 1.570 178.346 176.870 -0.158 0.000 1.151 354 L CA 0.298 54.888 54.840 -0.417 0.000 0.806 354 L CB -0.076 41.613 42.059 -0.617 0.000 1.261 354 L HN 0.282 nan 8.230 nan 0.000 0.484 355 G N 0.156 108.876 108.800 -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 0.459 175.357 174.900 -0.003 0.000 1.024 355 G CA 0.524 45.582 45.100 -0.070 0.000 0.784 355 G HN 0.528 nan 8.290 nan 0.000 0.507 356 S N -0.499 115.200 115.700 -0.003 0.000 2.754 356 S HA 0.578 5.048 4.470 -0.001 0.000 0.247 356 S C 1.483 175.938 174.600 -0.242 0.000 1.031 356 S CA 0.983 59.134 58.200 -0.082 0.000 1.014 356 S CB 0.645 63.826 63.200 -0.032 0.000 0.918 356 S HN 2.145 nan 8.310 nan 0.000 0.519 357 A N 1.598 124.350 122.820 -0.114 0.000 2.816 357 A HA -0.220 4.100 4.320 -0.001 0.000 0.270 357 A C 0.420 177.949 177.584 -0.092 0.000 1.413 357 A CA 0.897 52.886 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 -0.115 118.957 119.070 0.004 0.000 2.767 358 H HA 0.251 4.807 4.556 -0.001 0.000 0.380 358 H C 1.011 176.362 175.328 0.038 0.000 1.409 358 H CA 0.930 56.992 56.048 0.023 0.000 1.463 358 H CB 0.290 30.076 29.762 0.040 0.000 1.514 358 H HN 0.744 nan 8.280 nan 0.000 0.619 359 Q N -1.191 118.726 119.800 0.196 0.000 2.180 359 Q HA 0.404 4.743 4.340 -0.001 0.000 0.241 359 Q C 0.542 176.599 176.000 0.096 0.000 0.970 359 Q CA -0.231 55.647 55.803 0.126 0.000 0.919 359 Q CB 1.625 30.427 28.738 0.106 0.000 1.222 359 Q HN 0.958 nan 8.270 nan 0.000 0.482 360 G N -0.421 108.425 108.800 0.077 0.000 2.138 360 G HA2 -0.204 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 0.111 175.009 174.900 -0.003 0.000 0.998 360 G CA -0.347 44.787 45.100 0.056 0.000 0.668 360 G HN 0.575 nan 8.290 nan 0.000 0.516 361 C N 0.249 119.537 119.300 -0.019 0.000 2.641 361 C HA 0.613 5.073 4.460 -0.001 0.000 0.318 361 C C 1.597 176.408 174.990 -0.298 0.000 1.490 361 C CA -0.651 58.312 59.018 -0.090 0.000 2.260 361 C CB -0.015 27.706 27.740 -0.031 0.000 2.103 361 C HN 0.495 nan 8.230 nan 0.000 0.641 362 L N 2.385 123.427 121.223 -0.303 0.000 2.410 362 L HA 0.215 4.555 4.340 -0.001 0.000 0.273 362 L C -2.076 174.725 176.870 -0.114 0.000 1.152 362 L CA -1.107 53.472 54.840 -0.435 0.000 0.855 362 L CB -0.095 41.825 42.059 -0.232 0.000 1.129 362 L HN 0.387 nan 8.230 nan 0.000 0.463 363 P HA 0.023 nan 4.420 nan 0.000 0.262 363 P C -2.001 175.382 177.300 0.138 0.000 1.182 363 P CA -0.855 62.309 63.100 0.105 0.000 0.761 363 P CB 0.182 31.980 31.700 0.163 0.000 0.795 364 P HA -0.151 nan 4.420 nan 0.000 0.216 364 P C 0.212 177.515 177.300 0.004 0.000 1.150 364 P CA 1.248 64.410 63.100 0.104 0.000 0.843 364 P CB -0.021 31.622 31.700 -0.095 0.000 0.787 365 F N -0.203 119.589 119.950 -0.264 0.000 2.411 365 F HA 0.286 4.813 4.527 -0.001 0.000 0.350 365 F C -1.698 174.056 175.800 -0.077 0.000 1.114 365 F CA -3.000 54.775 58.000 -0.375 0.000 1.135 365 F CB 1.052 39.745 39.000 -0.512 0.000 1.120 365 F HN -0.110 nan 8.300 nan 0.000 0.495 366 P HA -0.149 nan 4.420 nan 0.000 0.218 366 P C 0.998 178.272 177.300 -0.044 0.000 1.148 366 P CA 1.748 64.758 63.100 -0.150 0.000 0.822 366 P CB 0.092 31.705 31.700 -0.145 0.000 0.784 367 A N -1.034 121.614 122.820 -0.287 0.000 2.119 367 A HA -0.054 4.266 4.320 -0.001 0.000 0.217 367 A C 0.656 178.349 177.584 0.182 0.000 1.153 367 A CA 0.722 52.758 52.037 -0.003 0.000 0.692 367 A CB -0.937 18.119 19.000 0.094 0.000 0.799 367 A HN 0.095 nan 8.150 nan 0.000 0.458 368 D N 0.165 120.718 120.400 0.255 0.000 2.348 368 D HA 0.378 5.018 4.640 -0.001 0.000 0.253 368 D C -0.190 176.273 176.300 0.272 0.000 1.161 368 D CA 0.142 54.300 54.000 0.263 0.000 0.876 368 D CB 1.384 42.352 40.800 0.280 0.000 1.160 368 D HN -0.019 nan 8.370 nan 0.000 0.459 369 V N 3.272 123.327 119.914 0.235 0.000 2.686 369 V HA 0.423 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 -0.485 61.963 62.300 0.246 0.000 1.012 369 V CB 0.505 32.399 31.823 0.118 0.000 1.006 369 V HN 0.423 nan 8.190 nan 0.000 0.477 370 F N 2.529 122.568 119.950 0.149 0.000 2.593 370 F HA 0.777 5.304 4.527 -0.001 0.000 0.320 370 F C -0.458 175.423 175.800 0.134 0.000 1.060 370 F CA -1.349 56.732 58.000 0.134 0.000 0.940 370 F CB 1.941 41.027 39.000 0.143 0.000 1.268 370 F HN 0.446 nan 8.300 nan 0.000 0.475 371 M N 3.282 122.922 119.600 0.066 0.000 2.264 371 M HA 0.526 5.005 4.480 -0.001 0.000 0.352 371 M C -1.339 174.959 176.300 -0.003 0.000 1.173 371 M CA -0.850 54.426 55.300 -0.039 0.000 1.075 371 M CB 1.539 34.165 32.600 0.044 0.000 1.621 371 M HN 0.611 nan 8.290 nan 0.000 0.457 372 V N 7.360 127.197 119.914 -0.128 0.000 2.508 372 V HA 0.249 4.368 4.120 -0.001 0.000 0.281 372 V C -2.056 173.962 176.094 -0.126 0.000 1.041 372 V CA -1.267 60.925 62.300 -0.181 0.000 1.016 372 V CB 0.455 32.031 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 -0.575 176.425 177.300 -0.500 0.000 1.215 373 P CA -0.144 62.707 63.100 -0.415 0.000 0.780 373 P CB 0.469 31.734 31.700 -0.726 0.000 0.898 374 Q N 1.280 120.761 119.800 -0.532 0.000 2.230 374 Q HA 0.238 4.578 4.340 -0.001 0.000 0.248 374 Q C -1.313 174.699 176.000 0.020 0.000 0.915 374 Q CA -0.704 54.709 55.803 -0.650 0.000 0.900 374 Q CB 0.495 28.483 28.738 -1.250 0.000 1.229 374 Q HN 0.377 nan 8.270 nan 0.000 0.439 375 Y N 1.472 121.772 120.300 -0.000 0.000 2.327 375 Y HA 0.581 5.131 4.550 -0.001 0.000 0.336 375 Y C -0.297 175.604 175.900 0.003 0.000 1.035 375 Y CA 0.141 58.260 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 5.073 113.509 108.800 -0.607 0.000 2.696 376 G HA2 0.527 4.487 3.960 -0.001 0.000 0.295 376 G HA3 0.527 4.487 3.960 -0.001 0.000 0.295 376 G C -2.295 172.299 174.900 -0.510 0.000 1.398 376 G CA -0.823 43.993 45.100 -0.473 0.000 0.920 376 G HN 0.743 nan 8.290 nan 0.000 0.492 377 Y N -1.058 119.040 120.300 -0.337 0.000 2.615 377 Y HA 0.822 5.372 4.550 -0.001 0.000 0.341 377 Y C -1.177 174.735 175.900 0.020 0.000 1.089 377 Y CA -1.694 56.295 58.100 -0.185 0.000 1.049 377 Y CB 1.536 39.915 38.460 -0.134 0.000 1.296 377 Y HN 0.468 nan 8.280 nan 0.000 0.470 378 L N 2.008 123.365 121.223 0.224 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 54.360 54.840 0.214 0.000 0.816 378 L CB 2.406 44.586 42.059 0.202 0.000 1.278 378 L HN 0.965 nan 8.230 nan 0.000 0.431 379 T N 0.345 115.103 114.554 0.340 0.000 2.688 379 T HA 0.452 4.801 4.350 -0.001 0.000 0.249 379 T C -0.890 173.989 174.700 0.299 0.000 0.944 379 T CA -0.682 61.648 62.100 0.383 0.000 1.058 379 T CB 0.884 70.034 68.868 0.469 0.000 1.673 379 T HN 0.118 nan 8.240 nan 0.000 0.565 380 L N 2.976 124.358 121.223 0.265 0.000 2.350 380 L HA 0.578 4.917 4.340 -0.001 0.000 0.275 380 L C -0.575 176.385 176.870 0.149 0.000 1.099 380 L CA -0.364 54.586 54.840 0.185 0.000 0.808 380 L CB 0.127 42.272 42.059 0.143 0.000 1.149 380 L HN 0.910 nan 8.230 nan 0.000 0.442 381 N N 1.285 120.051 118.700 0.110 0.000 2.331 381 N HA 0.328 5.068 4.740 -0.001 0.000 0.280 381 N C -1.378 174.138 175.510 0.010 0.000 1.155 381 N CA -0.735 52.341 53.050 0.043 0.000 0.822 381 N CB 0.943 39.504 38.487 0.122 0.000 1.619 381 N HN 0.362 nan 8.380 nan 0.000 0.476 382 N N 1.099 119.760 118.700 -0.064 0.000 2.816 382 N HA 0.435 5.175 4.740 -0.001 0.000 0.236 382 N C 0.636 176.067 175.510 -0.133 0.000 1.076 382 N CA 0.987 53.996 53.050 -0.068 0.000 0.902 382 N CB 0.048 38.489 38.487 -0.076 0.000 1.149 382 N HN 1.029 nan 8.380 nan 0.000 0.506 383 G N 2.339 111.054 108.800 -0.142 0.000 2.523 383 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.271 383 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.271 383 G C 0.791 175.483 174.900 -0.346 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 0.258 115.713 115.700 -0.409 0.000 2.528 384 S HA 0.301 4.771 4.470 -0.001 0.000 0.219 384 S C 1.074 175.603 174.600 -0.118 0.000 0.985 384 S CA 1.302 59.443 58.200 -0.099 0.000 0.914 384 S CB 0.233 63.427 63.200 -0.010 0.000 0.776 384 S HN 0.757 nan 8.310 nan 0.000 0.526 385 Q N 0.585 120.258 119.800 -0.211 0.000 2.237 385 Q HA 0.718 5.057 4.340 -0.001 0.000 0.219 385 Q C -0.319 175.391 176.000 -0.483 0.000 0.999 385 Q CA -0.411 55.204 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 0.367 122.779 122.820 -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 51.022 52.037 -0.684 0.000 0.826 386 A CB 1.000 19.252 19.000 -1.248 0.000 1.332 386 A HN 0.465 nan 8.150 nan 0.000 0.457 387 V N -0.467 119.344 119.914 -0.173 0.000 3.406 387 V HA 0.531 4.650 4.120 -0.001 0.000 0.305 387 V C 1.770 177.833 176.094 -0.052 0.000 1.136 387 V CA 0.314 62.565 62.300 -0.083 0.000 1.011 387 V CB 1.252 33.060 31.823 -0.026 0.000 1.221 387 V HN 1.131 nan 8.190 nan 0.000 0.454 388 G N -0.430 108.356 108.800 -0.024 0.000 2.464 388 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.217 388 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.217 388 G C 1.156 176.067 174.900 0.019 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 0.904 121.422 120.500 0.031 0.000 2.363 389 R HA 0.214 4.554 4.340 -0.001 0.000 0.236 389 R C 0.085 176.435 176.300 0.083 0.000 0.966 389 R CA -0.176 55.956 56.100 0.052 0.000 1.100 389 R CB 0.193 30.525 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 0.070 174.766 174.600 0.160 0.000 1.311 390 S CA -0.283 58.018 58.200 0.168 0.000 1.034 390 S CB 1.711 65.039 63.200 0.213 0.000 0.939 390 S HN 0.060 nan 8.310 nan 0.000 0.513 391 S N 2.317 118.122 115.700 0.174 0.000 2.437 391 S HA 0.517 4.987 4.470 -0.001 0.000 0.305 391 S C -0.920 173.625 174.600 -0.092 0.000 1.109 391 S CA -0.550 57.610 58.200 -0.066 0.000 1.099 391 S CB 0.477 63.565 63.200 -0.186 0.000 1.004 391 S HN 0.556 nan 8.310 nan 0.000 0.475 392 F N 4.039 123.742 119.950 -0.411 0.000 2.427 392 F HA 0.562 5.088 4.527 -0.001 0.000 0.346 392 F C -1.485 173.999 175.800 -0.527 0.000 1.120 392 F CA -1.462 56.291 58.000 -0.411 0.000 1.033 392 F CB 0.446 39.202 39.000 -0.407 0.000 1.126 392 F HN 0.520 nan 8.300 nan 0.000 0.462 393 Y N 5.528 125.534 120.300 -0.491 0.000 2.328 393 Y HA 0.401 4.951 4.550 -0.001 0.000 0.333 393 Y C -0.074 175.451 175.900 -0.625 0.000 0.958 393 Y CA -0.859 56.961 58.100 -0.467 0.000 1.167 393 Y CB 1.411 39.679 38.460 -0.320 0.000 1.151 393 Y HN 0.715 nan 8.280 nan 0.000 0.470 394 C N 5.784 124.813 119.300 -0.451 0.000 2.307 394 C HA 0.402 4.861 4.460 -0.001 0.000 0.340 394 C C 0.992 176.050 174.990 0.112 0.000 1.275 394 C CA -0.577 58.222 59.018 -0.366 0.000 1.811 394 C CB -0.804 26.666 27.740 -0.451 0.000 2.372 394 C HN 0.981 nan 8.230 nan 0.000 0.531 395 L N 4.410 125.758 121.223 0.210 0.000 2.554 395 L HA 0.150 4.489 4.340 -0.001 0.000 0.226 395 L C 2.261 179.186 176.870 0.093 0.000 1.137 395 L CA 1.257 56.084 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 -1.551 118.851 120.200 0.336 0.000 2.435 396 E HA -0.142 4.208 4.350 -0.001 0.000 0.195 396 E C 1.159 177.872 176.600 0.189 0.000 1.029 396 E CA 0.499 57.096 56.400 0.328 0.000 0.865 396 E CB -0.094 29.811 29.700 0.342 0.000 0.833 396 E HN 0.544 nan 8.360 nan 0.000 0.510 397 Y N -0.136 120.157 120.300 -0.011 0.000 2.495 397 Y HA 0.120 4.669 4.550 -0.001 0.000 0.293 397 Y C -0.393 175.275 175.900 -0.385 0.000 1.186 397 Y CA -0.319 57.678 58.100 -0.172 0.000 1.266 397 Y CB -0.004 38.321 38.460 -0.226 0.000 1.101 397 Y HN -0.228 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 4.959 4.527 -0.001 0.000 0.327 398 F C -2.171 173.286 175.800 -0.572 0.000 1.103 398 F CA -3.138 54.471 58.000 -0.651 0.000 0.949 398 F CB 0.901 39.168 39.000 -1.222 0.000 1.142 398 F HN -0.058 nan 8.300 nan 0.000 0.457 399 P HA 0.161 nan 4.420 nan 0.000 0.266 399 P C -1.054 176.179 177.300 -0.113 0.000 1.215 399 P CA -0.052 62.955 63.100 -0.156 0.000 0.763 399 P CB 0.568 32.200 31.700 -0.113 0.000 0.806 400 S N 1.696 117.392 115.700 -0.007 0.000 2.548 400 S HA 0.396 4.866 4.470 -0.001 0.000 0.286 400 S C -0.828 173.875 174.600 0.172 0.000 1.098 400 S CA -1.037 57.248 58.200 0.142 0.000 0.930 400 S CB 1.619 64.977 63.200 0.263 0.000 1.070 400 S HN 0.440 nan 8.310 nan 0.000 0.480 401 Q N 1.877 121.810 119.800 0.223 0.000 2.288 401 Q HA 0.391 4.730 4.340 -0.001 0.000 0.258 401 Q C -0.956 175.150 176.000 0.177 0.000 0.957 401 Q CA -0.168 55.762 55.803 0.211 0.000 0.919 401 Q CB 0.507 29.434 28.738 0.315 0.000 1.185 401 Q HN 0.719 nan 8.270 nan 0.000 0.408 402 M N 4.485 124.168 119.600 0.138 0.000 2.209 402 M HA 0.330 4.810 4.480 -0.001 0.000 0.355 402 M C -1.220 175.147 176.300 0.111 0.000 1.171 402 M CA -0.716 54.650 55.300 0.111 0.000 1.069 402 M CB 0.950 33.599 32.600 0.081 0.000 1.622 402 M HN 0.450 nan 8.290 nan 0.000 0.459 403 L N 2.843 124.131 121.223 0.107 0.000 2.362 403 L HA 0.592 4.931 4.340 -0.001 0.000 0.275 403 L C -0.137 176.785 176.870 0.088 0.000 0.998 403 L CA -0.336 54.573 54.840 0.116 0.000 0.820 403 L CB 1.703 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 -0.034 120.511 120.500 0.076 0.000 2.602 404 R HA 0.656 4.996 4.340 -0.001 0.000 0.237 404 R C -0.470 175.866 176.300 0.061 0.000 1.219 404 R CA -0.542 55.591 56.100 0.055 0.000 1.121 404 R CB 0.957 31.282 30.300 0.042 0.000 1.408 404 R HN 0.622 nan 8.270 nan 0.000 0.559 405 T N 0.626 115.205 114.554 0.040 0.000 2.817 405 T HA 0.339 4.688 4.350 -0.001 0.000 0.295 405 T C 0.808 175.538 174.700 0.048 0.000 0.958 405 T CA 0.983 63.106 62.100 0.038 0.000 1.157 405 T CB 0.634 69.509 68.868 0.012 0.000 0.898 405 T HN 0.772 nan 8.240 nan 0.000 0.536 406 G N 3.713 112.553 108.800 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 0.210 175.161 174.900 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 1.728 120.486 118.700 0.097 0.000 2.445 407 N HA 0.563 5.302 4.740 -0.001 0.000 0.264 407 N C 0.110 175.717 175.510 0.162 0.000 1.227 407 N CA 0.392 53.513 53.050 0.117 0.000 0.963 407 N CB 0.887 39.444 38.487 0.118 0.000 1.188 407 N HN 0.761 nan 8.380 nan 0.000 0.491 408 N N -0.676 118.133 118.700 0.182 0.000 2.934 408 N HA 0.383 5.123 4.740 -0.001 0.000 0.253 408 N C -1.880 173.804 175.510 0.290 0.000 1.466 408 N CA -0.561 52.635 53.050 0.243 0.000 0.858 408 N CB 1.293 39.908 38.487 0.213 0.000 1.459 408 N HN 0.366 nan 8.380 nan 0.000 0.532 409 F N 0.124 120.162 119.950 0.146 0.000 2.529 409 F HA 0.522 5.049 4.527 -0.001 0.000 0.320 409 F C -0.742 175.146 175.800 0.148 0.000 1.118 409 F CA -0.392 57.696 58.000 0.146 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 5.088 124.527 119.800 -0.601 0.000 2.377 410 Q HA 0.676 5.016 4.340 -0.001 0.000 0.271 410 Q C -2.047 173.716 176.000 -0.394 0.000 1.077 410 Q CA -0.643 54.953 55.803 -0.345 0.000 0.820 410 Q CB 2.131 30.750 28.738 -0.199 0.000 1.347 410 Q HN 0.691 nan 8.270 nan 0.000 0.444 411 F N 0.656 120.469 119.950 -0.229 0.000 2.669 411 F HA 0.582 5.108 4.527 -0.001 0.000 0.315 411 F C -1.596 174.203 175.800 -0.002 0.000 1.109 411 F CA -0.239 57.700 58.000 -0.103 0.000 1.028 411 F CB 1.493 40.534 39.000 0.068 0.000 1.287 411 F HN 0.505 nan 8.300 nan 0.000 0.452 412 S N 4.596 119.803 115.700 -0.822 0.000 2.536 412 S HA 0.608 5.078 4.470 -0.001 0.000 0.287 412 S C -2.044 172.080 174.600 -0.792 0.000 1.101 412 S CA -0.624 57.197 58.200 -0.630 0.000 0.950 412 S CB 1.991 64.987 63.200 -0.341 0.000 1.056 412 S HN 0.644 nan 8.310 nan 0.000 0.481 413 Y N 0.988 120.898 120.300 -0.649 0.000 2.524 413 Y HA 0.613 5.163 4.550 -0.001 0.000 0.347 413 Y C -1.106 174.552 175.900 -0.402 0.000 1.005 413 Y CA -0.388 57.380 58.100 -0.554 0.000 1.025 413 Y CB 1.785 39.920 38.460 -0.540 0.000 1.275 413 Y HN 0.550 nan 8.280 nan 0.000 0.460 414 T N 6.537 120.377 114.554 -1.190 0.000 2.815 414 T HA 0.409 4.759 4.350 -0.001 0.000 0.289 414 T C -0.819 173.204 174.700 -1.127 0.000 1.000 414 T CA -0.402 61.192 62.100 -0.843 0.000 0.958 414 T CB 0.093 68.673 68.868 -0.479 0.000 0.944 414 T HN 0.411 nan 8.240 nan 0.000 0.442 415 F N 2.591 122.146 119.950 -0.658 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 -0.306 0.000 1.178 415 F CA -0.460 57.313 58.000 -0.379 0.000 1.301 415 F CB 0.573 39.425 39.000 -0.247 0.000 1.175 415 F HN 0.568 nan 8.300 nan 0.000 0.593 416 E N -0.156 120.043 120.200 -0.002 0.000 2.359 416 E HA 0.229 4.578 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 0.636 121.007 120.400 -0.049 0.000 2.348 417 D HA 0.180 4.820 4.640 -0.001 0.000 0.259 417 D C -1.134 175.138 176.300 -0.046 0.000 1.296 417 D CA 0.202 54.164 54.000 -0.062 0.000 0.931 417 D CB 0.981 41.753 40.800 -0.047 0.000 1.067 417 D HN 0.219 nan 8.370 nan 0.000 0.503 418 V N 4.420 124.291 119.914 -0.071 0.000 2.577 418 V HA 0.445 4.564 4.120 -0.001 0.000 0.303 418 V C -2.454 173.633 176.094 -0.011 0.000 1.042 418 V CA -2.383 59.917 62.300 0.001 0.000 0.872 418 V CB 2.051 33.924 31.823 0.084 0.000 0.998 418 V HN 0.325 nan 8.190 nan 0.000 0.423 419 P HA 0.077 nan 4.420 nan 0.000 0.266 419 P C -0.523 176.870 177.300 0.155 0.000 1.186 419 P CA 0.332 63.480 63.100 0.081 0.000 0.767 419 P CB 0.102 31.856 31.700 0.090 0.000 0.820 420 F N 0.821 120.870 119.950 0.164 0.000 2.595 420 F HA 0.018 4.545 4.527 -0.001 0.000 0.359 420 F C 1.786 177.667 175.800 0.136 0.000 1.147 420 F CA 0.481 58.593 58.000 0.186 0.000 1.341 420 F CB -0.055 39.031 39.000 0.143 0.000 1.104 420 F HN 0.423 nan 8.300 nan 0.000 0.603 421 H N 0.886 120.028 119.070 0.119 0.000 2.679 421 H HA 0.199 4.754 4.556 -0.001 0.000 0.369 421 H C -0.368 174.964 175.328 0.006 0.000 1.178 421 H CA -0.436 55.525 56.048 -0.144 0.000 1.419 421 H CB 0.689 30.133 29.762 -0.530 0.000 1.458 421 H HN 0.471 nan 8.280 nan 0.000 0.605 422 S N 2.422 117.555 115.700 -0.945 0.000 2.416 422 S HA 0.084 4.553 4.470 -0.001 0.000 0.302 422 S C 0.125 174.419 174.600 -0.511 0.000 1.120 422 S CA -0.401 57.416 58.200 -0.637 0.000 1.067 422 S CB 0.302 62.964 63.200 -0.897 0.000 1.057 422 S HN 0.592 nan 8.310 nan 0.000 0.518 423 S N 2.954 118.666 115.700 0.019 0.000 2.602 423 S HA 0.256 4.726 4.470 -0.001 0.000 0.246 423 S C -0.181 174.497 174.600 0.132 0.000 1.009 423 S CA -0.553 57.732 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 -1.710 118.468 120.300 -0.203 0.000 2.638 424 Y HA 0.891 5.441 4.550 -0.001 0.000 0.339 424 Y C -0.815 174.878 175.900 -0.345 0.000 1.084 424 Y CA -1.887 56.021 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 1.087 123.754 122.820 -0.255 0.000 2.414 425 A HA 0.540 4.859 4.320 -0.001 0.000 0.306 425 A C -1.502 175.963 177.584 -0.199 0.000 1.054 425 A CA -0.890 50.965 52.037 -0.304 0.000 0.724 425 A CB 0.681 19.588 19.000 -0.155 0.000 1.267 425 A HN 0.844 nan 8.150 nan 0.000 0.418 426 H N 1.799 120.847 119.070 -0.038 0.000 2.764 426 H HA 0.123 4.679 4.556 -0.001 0.000 0.341 426 H C 1.361 176.684 175.328 -0.008 0.000 1.072 426 H CA 1.000 57.048 56.048 -0.001 0.000 1.444 426 H CB 1.348 31.104 29.762 -0.010 0.000 1.458 426 H HN 0.783 nan 8.280 nan 0.000 0.572 427 S N 2.204 117.975 115.700 0.118 0.000 2.558 427 S HA 0.039 4.509 4.470 -0.001 0.000 0.217 427 S C 0.582 175.223 174.600 0.069 0.000 0.975 427 S CA -0.088 58.158 58.200 0.076 0.000 0.912 427 S CB 0.488 63.729 63.200 0.067 0.000 0.776 427 S HN 0.595 nan 8.310 nan 0.000 0.526 428 Q N 0.384 120.231 119.800 0.078 0.000 2.486 428 Q HA 0.661 5.001 4.340 -0.001 0.000 0.274 428 Q C -1.132 174.885 176.000 0.028 0.000 1.076 428 Q CA -0.803 55.025 55.803 0.042 0.000 0.872 428 Q CB 1.904 30.657 28.738 0.026 0.000 1.383 428 Q HN 0.264 nan 8.270 nan 0.000 0.478 429 S N -0.375 115.330 115.700 0.008 0.000 2.526 429 S HA 0.326 4.795 4.470 -0.001 0.000 0.293 429 S C 0.687 175.281 174.600 -0.009 0.000 1.092 429 S CA -0.565 57.634 58.200 -0.003 0.000 0.980 429 S CB 0.876 64.078 63.200 0.003 0.000 1.048 429 S HN 0.717 nan 8.310 nan 0.000 0.483 430 L N 2.300 123.514 121.223 -0.015 0.000 2.137 430 L HA -0.167 4.173 4.340 -0.001 0.000 0.213 430 L C 1.919 178.807 176.870 0.030 0.000 1.085 430 L CA 2.068 56.917 54.840 0.015 0.000 0.760 430 L CB -0.225 41.850 42.059 0.026 0.000 0.893 430 L HN 0.819 nan 8.230 nan 0.000 0.434 431 D N -1.633 118.770 120.400 0.005 0.000 2.355 431 D HA -0.081 4.559 4.640 -0.001 0.000 0.206 431 D C 0.880 177.174 176.300 -0.011 0.000 1.010 431 D CA 0.132 54.127 54.000 -0.008 0.000 0.875 431 D CB 0.031 40.816 40.800 -0.025 0.000 0.966 431 D HN 0.152 nan 8.370 nan 0.000 0.512 432 R N 1.172 121.669 120.500 -0.004 0.000 4.017 432 R HA 0.236 4.575 4.340 -0.001 0.000 0.272 432 R C 0.555 176.859 176.300 0.006 0.000 1.516 432 R CA -0.272 55.826 56.100 -0.003 0.000 1.519 432 R CB 0.447 30.747 30.300 0.000 0.000 1.422 432 R HN 0.199 nan 8.270 nan 0.000 0.719 433 L N 0.483 121.712 121.223 0.009 0.000 2.609 433 L HA 0.224 4.564 4.340 -0.001 0.000 0.230 433 L C 0.349 177.229 176.870 0.017 0.000 1.064 433 L CA 0.853 55.707 54.840 0.023 0.000 0.873 433 L CB 0.139 42.230 42.059 0.053 0.000 1.139 433 L HN 0.196 nan 8.230 nan 0.000 0.490 434 M N -0.875 118.725 119.600 -0.001 0.000 2.116 434 M HA 0.269 4.749 4.480 -0.001 0.000 0.235 434 M C 0.418 176.713 176.300 -0.008 0.000 1.193 434 M CA -0.373 54.921 55.300 -0.011 0.000 0.959 434 M CB -0.808 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 0.767 119.459 118.700 -0.013 0.000 2.408 435 N HA 0.300 5.040 4.740 -0.001 0.000 0.257 435 N C -2.150 173.353 175.510 -0.012 0.000 1.064 435 N CA -1.702 51.343 53.050 -0.008 0.000 0.952 435 N CB 0.703 39.186 38.487 -0.006 0.000 1.093 435 N HN 0.345 nan 8.380 nan 0.000 0.490 436 P HA -0.020 nan 4.420 nan 0.000 0.225 436 P C 0.816 178.112 177.300 -0.007 0.000 1.148 436 P CA 0.642 63.738 63.100 -0.008 0.000 0.779 436 P CB 0.488 32.186 31.700 -0.003 0.000 0.780 437 L N -2.121 119.098 121.223 -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 -0.286 41.772 42.059 -0.001 0.000 1.040 437 L HN -0.126 nan 8.230 nan 0.000 0.475 438 I N -0.684 119.882 120.570 -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 60.457 61.300 -0.006 0.000 1.148 438 I CB 1.289 39.290 38.000 0.001 0.000 1.323 438 I HN -0.062 nan 8.210 nan 0.000 0.461 439 D N 2.936 123.325 120.400 -0.019 0.000 2.253 439 D HA 0.370 5.010 4.640 -0.001 0.000 0.249 439 D C 0.188 176.450 176.300 -0.064 0.000 1.049 439 D CA -0.346 53.630 54.000 -0.040 0.000 0.929 439 D CB 0.849 41.627 40.800 -0.036 0.000 1.176 439 D HN 0.351 nan 8.370 nan 0.000 0.437 440 Q N 0.130 119.859 119.800 -0.118 0.000 2.500 440 Q HA 0.166 4.505 4.340 -0.001 0.000 0.215 440 Q C 0.132 176.033 176.000 -0.165 0.000 1.062 440 Q CA -0.220 55.453 55.803 -0.217 0.000 0.996 440 Q CB 0.465 29.044 28.738 -0.266 0.000 1.239 440 Q HN 0.692 nan 8.270 nan 0.000 0.578 441 Y N -2.014 118.251 120.300 -0.058 0.000 2.531 441 Y HA 0.433 4.983 4.550 -0.001 0.000 0.249 441 Y C -0.185 175.707 175.900 -0.014 0.000 1.168 441 Y CA -0.510 57.568 58.100 -0.037 0.000 1.226 441 Y CB 0.379 38.847 38.460 0.013 0.000 1.177 441 Y HN 0.173 nan 8.280 nan 0.000 0.527 442 L N 0.981 122.158 121.223 -0.075 0.000 2.360 442 L HA 0.430 4.770 4.340 -0.001 0.000 0.271 442 L C -1.088 175.752 176.870 -0.050 0.000 1.057 442 L CA -1.043 53.826 54.840 0.049 0.000 0.803 442 L CB 1.089 43.127 42.059 -0.036 0.000 1.207 442 L HN 0.084 nan 8.230 nan 0.000 0.445 443 Y N 0.398 120.740 120.300 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 -0.619 57.514 58.100 0.054 0.000 1.079 443 Y CB 1.853 40.294 38.460 -0.032 0.000 1.226 443 Y HN 0.393 nan 8.280 nan 0.000 0.460 444 Y N 0.435 120.884 120.300 0.248 0.000 2.602 444 Y HA 0.728 5.278 4.550 -0.001 0.000 0.342 444 Y C -1.632 174.479 175.900 0.351 0.000 1.029 444 Y CA -1.868 56.371 58.100 0.232 0.000 1.080 444 Y CB 1.149 39.671 38.460 0.103 0.000 1.284 444 Y HN 0.545 nan 8.280 nan 0.000 0.485 445 L N 3.244 124.719 121.223 0.420 0.000 2.257 445 L HA 0.411 4.751 4.340 -0.001 0.000 0.290 445 L C -0.037 176.913 176.870 0.133 0.000 1.044 445 L CA -0.080 54.844 54.840 0.140 0.000 0.810 445 L CB 0.590 42.704 42.059 0.091 0.000 1.193 445 L HN 1.045 nan 8.230 nan 0.000 0.425 446 N N 2.572 121.275 118.700 0.006 0.000 2.210 446 N HA 0.164 4.904 4.740 -0.001 0.000 0.203 446 N C -0.385 175.122 175.510 -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 0.233 0.000 1.041 446 N HN 0.334 nan 8.380 nan 0.000 0.506 447 R N 1.052 121.491 120.500 -0.101 0.000 2.476 447 R HA 0.257 4.597 4.340 -0.001 0.000 0.305 447 R C 0.073 176.289 176.300 -0.141 0.000 0.965 447 R CA -0.318 55.721 56.100 -0.101 0.000 0.867 447 R CB 1.487 31.727 30.300 -0.100 0.000 1.176 447 R HN 0.236 nan 8.270 nan 0.000 0.447 448 T N -1.542 112.957 114.554 -0.090 0.000 3.042 448 T HA -0.063 4.287 4.350 -0.001 0.000 0.245 448 T C 1.302 175.961 174.700 -0.068 0.000 1.029 448 T CA 0.493 62.541 62.100 -0.086 0.000 1.120 448 T CB 0.360 69.197 68.868 -0.051 0.000 0.917 448 T HN 0.590 nan 8.240 nan 0.000 0.467 449 Q N 1.065 120.834 119.800 -0.052 0.000 2.577 449 Q HA 0.360 4.699 4.340 -0.001 0.000 0.242 449 Q C 1.511 177.488 176.000 -0.038 0.000 0.818 449 Q CA -0.014 55.765 55.803 -0.040 0.000 0.962 449 Q CB -0.492 28.229 28.738 -0.028 0.000 1.272 449 Q HN 0.320 nan 8.270 nan 0.000 0.593 450 G N 1.742 110.522 108.800 -0.034 0.000 2.151 450 G HA2 0.271 4.231 3.960 -0.001 0.000 0.269 450 G HA3 0.271 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 0.370 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 0.672 175.361 174.700 -0.017 0.000 0.851 451 T CA -0.577 61.507 62.100 -0.025 0.000 1.149 451 T CB 0.608 69.460 68.868 -0.027 0.000 1.456 451 T HN 0.184 nan 8.240 nan 0.000 0.514 452 T N 2.856 117.401 114.554 -0.015 0.000 3.826 452 T HA 0.121 4.471 4.350 -0.001 0.000 0.239 452 T C 0.621 175.315 174.700 -0.010 0.000 1.007 452 T CA 0.149 62.242 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 1.246 175.842 174.600 -0.007 0.000 1.263 453 S CA -0.158 58.036 58.200 -0.009 0.000 0.955 453 S CB -0.643 62.552 63.200 -0.009 0.000 1.611 453 S HN 0.812 nan 8.310 nan 0.000 0.483 454 G N 2.013 110.809 108.800 -0.007 0.000 2.449 454 G HA2 0.293 4.253 3.960 -0.001 0.000 0.192 454 G HA3 0.293 4.253 3.960 -0.001 0.000 0.192 454 G C -0.223 174.673 174.900 -0.006 0.000 1.776 454 G CA -0.120 44.977 45.100 -0.006 0.000 0.699 454 G HN 0.513 nan 8.290 nan 0.000 0.745 455 T N 1.582 116.132 114.554 -0.006 0.000 2.824 455 T HA 0.475 4.825 4.350 -0.001 0.000 0.280 455 T C 0.281 174.977 174.700 -0.006 0.000 0.995 455 T CA 0.552 62.649 62.100 -0.005 0.000 1.009 455 T CB 1.257 70.122 68.868 -0.004 0.000 0.955 455 T HN 0.508 nan 8.240 nan 0.000 0.452 456 T N 3.280 117.831 114.554 -0.006 0.000 3.935 456 T HA -0.173 4.176 4.350 -0.001 0.000 0.346 456 T C 0.161 174.856 174.700 -0.008 0.000 0.758 456 T CA 0.580 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 0.618 nan 8.240 nan 0.000 0.802 457 N N 1.678 120.373 118.700 -0.009 0.000 2.851 457 N HA 0.126 4.866 4.740 -0.001 0.000 0.248 457 N C 1.423 176.926 175.510 -0.012 0.000 1.221 457 N CA -0.459 52.584 53.050 -0.011 0.000 0.847 457 N CB 1.287 39.767 38.487 -0.012 0.000 1.150 457 N HN 0.534 nan 8.380 nan 0.000 0.507 458 Q N 0.277 120.069 119.800 -0.012 0.000 2.036 458 Q HA 0.042 4.382 4.340 -0.001 0.000 0.195 458 Q C 0.328 176.317 176.000 -0.017 0.000 0.971 458 Q CA 0.843 56.638 55.803 -0.013 0.000 0.826 458 Q CB -0.073 28.659 28.738 -0.011 0.000 0.896 458 Q HN 0.337 nan 8.270 nan 0.000 0.449 459 S N -1.045 114.643 115.700 -0.020 0.000 2.596 459 S HA 0.787 5.256 4.470 -0.001 0.000 0.270 459 S C -1.018 173.562 174.600 -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 0.216 120.688 120.500 -0.048 0.000 2.687 460 R HA 0.415 4.754 4.340 -0.001 0.000 0.265 460 R C -2.096 174.141 176.300 -0.105 0.000 1.048 460 R CA -0.769 55.296 56.100 -0.058 0.000 0.884 460 R CB 1.009 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 5.139 126.288 121.223 -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 -0.432 54.249 54.840 -0.264 0.000 0.824 461 L CB 0.849 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 3.669 124.563 121.223 -0.549 0.000 2.365 462 L HA 0.590 4.930 4.340 -0.001 0.000 0.273 462 L C -0.922 175.561 176.870 -0.645 0.000 1.000 462 L CA -0.458 54.117 54.840 -0.441 0.000 0.819 462 L CB 1.967 43.907 42.059 -0.198 0.000 1.284 462 L HN 0.304 nan 8.230 nan 0.000 0.418 463 F N 0.302 120.216 119.950 -0.060 0.000 2.520 463 F HA 0.518 5.044 4.527 -0.001 0.000 0.322 463 F C 0.318 176.069 175.800 -0.081 0.000 1.103 463 F CA -0.526 57.424 58.000 -0.083 0.000 0.926 463 F CB 2.230 41.205 39.000 -0.042 0.000 1.154 463 F HN 0.265 nan 8.300 nan 0.000 0.453 464 S N 1.568 117.160 115.700 -0.180 0.000 2.503 464 S HA 0.308 4.778 4.470 -0.001 0.000 0.301 464 S C -0.824 173.512 174.600 -0.440 0.000 1.087 464 S CA -0.802 57.228 58.200 -0.284 0.000 1.042 464 S CB 1.664 64.616 63.200 -0.413 0.000 1.043 464 S HN 0.658 nan 8.310 nan 0.000 0.489 465 Q N 2.384 121.965 119.800 -0.365 0.000 2.286 465 Q HA 0.529 4.869 4.340 -0.001 0.000 0.257 465 Q C -0.178 175.700 176.000 -0.202 0.000 0.941 465 Q CA -0.708 54.651 55.803 -0.741 0.000 0.912 465 Q CB 0.787 28.967 28.738 -0.930 0.000 1.192 465 Q HN 0.759 nan 8.270 nan 0.000 0.410 466 A N 3.166 125.961 122.820 -0.041 0.000 2.565 466 A HA 0.459 4.778 4.320 -0.001 0.000 0.237 466 A C 0.314 177.899 177.584 0.002 0.000 1.053 466 A CA 0.766 52.874 52.037 0.119 0.000 0.755 466 A CB 0.036 19.045 19.000 0.015 0.000 0.980 466 A HN 0.863 nan 8.150 nan 0.000 0.506 467 G N 1.157 109.975 108.800 0.029 0.000 2.642 467 G HA2 0.583 4.542 3.960 -0.001 0.000 0.293 467 G HA3 0.583 4.542 3.960 -0.001 0.000 0.293 467 G C -2.374 172.519 174.900 -0.011 0.000 1.341 467 G CA -1.168 43.932 45.100 -0.001 0.000 0.916 467 G HN 0.301 nan 8.290 nan 0.000 0.474 468 P HA -0.108 nan 4.420 nan 0.000 0.221 468 P C 1.578 178.870 177.300 -0.012 0.000 1.145 468 P CA 1.117 64.207 63.100 -0.017 0.000 0.795 468 P CB 0.332 32.025 31.700 -0.011 0.000 0.775 469 Q N -0.248 119.550 119.800 -0.002 0.000 1.994 469 Q HA -0.044 4.296 4.340 -0.001 0.000 0.198 469 Q C 1.332 177.331 176.000 -0.001 0.000 0.976 469 Q CA 1.557 57.362 55.803 0.003 0.000 0.828 469 Q CB -0.772 27.975 28.738 0.015 0.000 0.894 469 Q HN 0.295 nan 8.270 nan 0.000 0.432 470 S N 0.335 116.041 115.700 0.009 0.000 3.864 470 S HA 0.130 4.600 4.470 -0.001 0.000 0.202 470 S C 0.993 175.544 174.600 -0.081 0.000 1.402 470 S CA -0.205 57.983 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 2.110 121.673 119.600 -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 1.350 56.610 55.300 -0.067 0.000 1.118 471 M CB -0.040 32.534 32.600 -0.043 0.000 1.395 471 M HN 0.685 nan 8.290 nan 0.000 0.435 472 S N -1.142 114.497 115.700 -0.101 0.000 2.574 472 S HA 0.260 4.730 4.470 -0.001 0.000 0.242 472 S C 0.839 175.342 174.600 -0.162 0.000 0.982 472 S CA -0.544 57.590 58.200 -0.109 0.000 0.977 472 S CB -0.159 62.992 63.200 -0.081 0.000 0.814 472 S HN 0.544 nan 8.310 nan 0.000 0.464 473 L N -0.227 120.848 121.223 -0.247 0.000 2.840 473 L HA 0.314 4.654 4.340 -0.001 0.000 0.249 473 L C 0.633 177.219 176.870 -0.474 0.000 1.119 473 L CA -0.230 54.357 54.840 -0.422 0.000 0.930 473 L CB 0.096 41.748 42.059 -0.677 0.000 1.295 473 L HN 0.265 nan 8.230 nan 0.000 0.534 474 Q N 1.352 120.963 119.800 -0.315 0.000 2.428 474 Q HA 0.277 4.617 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 55.579 55.803 -0.217 0.000 0.923 474 Q CB 0.837 29.487 28.738 -0.146 0.000 1.283 474 Q HN 0.274 nan 8.270 nan 0.000 0.447 475 A N 2.080 124.827 122.820 -0.122 0.000 2.531 475 A HA 0.155 4.474 4.320 -0.001 0.000 0.236 475 A C 0.036 177.545 177.584 -0.124 0.000 1.062 475 A CA 0.262 52.237 52.037 -0.103 0.000 0.760 475 A CB 0.282 19.228 19.000 -0.089 0.000 0.995 475 A HN 0.604 nan 8.150 nan 0.000 0.501 476 R N 0.326 120.753 120.500 -0.123 0.000 2.892 476 R HA 0.484 4.823 4.340 -0.001 0.000 0.265 476 R C 0.349 176.511 176.300 -0.230 0.000 1.025 476 R CA -0.604 55.411 56.100 -0.142 0.000 0.982 476 R CB 1.041 31.286 30.300 -0.092 0.000 1.185 476 R HN 0.732 nan 8.270 nan 0.000 0.484 477 N N -0.453 118.025 118.700 -0.370 0.000 2.332 477 N HA 0.174 4.914 4.740 -0.001 0.000 0.190 477 N C -0.968 173.994 175.510 -0.913 0.000 1.117 477 N CA 0.345 52.925 53.050 -0.783 0.000 0.883 477 N CB 0.474 38.270 38.487 -1.150 0.000 1.089 477 N HN 0.361 nan 8.380 nan 0.000 0.480 478 W N 0.168 121.470 121.300 0.004 0.000 2.975 478 W HA 0.591 5.250 4.660 -0.001 0.000 0.342 478 W C -0.607 175.928 176.519 0.027 0.000 1.168 478 W CA -0.816 56.540 57.345 0.019 0.000 1.141 478 W CB 0.833 30.297 29.460 0.007 0.000 1.445 478 W HN -0.354 nan 8.180 nan 0.000 0.560 479 L N 1.940 123.357 121.223 0.323 0.000 2.322 479 L HA 0.626 4.965 4.340 -0.001 0.000 0.269 479 L C -2.103 174.895 176.870 0.213 0.000 1.012 479 L CA -2.807 52.163 54.840 0.217 0.000 0.815 479 L CB 0.581 42.771 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 -0.069 177.378 177.300 0.245 0.000 1.266 480 P CA -0.344 62.851 63.100 0.158 0.000 0.793 480 P CB 0.441 32.177 31.700 0.060 0.000 1.074 481 G N 0.591 109.536 108.800 0.242 0.000 2.684 481 G HA2 0.300 4.260 3.960 -0.001 0.000 0.255 481 G HA3 0.300 4.260 3.960 -0.001 0.000 0.255 481 G C -2.297 172.651 174.900 0.079 0.000 1.219 481 G CA -0.928 44.277 45.100 0.175 0.000 0.901 481 G HN 0.363 nan 8.290 nan 0.000 0.548 482 P HA 0.263 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 -0.114 62.864 63.100 -0.204 0.000 0.793 482 P CB 0.832 32.317 31.700 -0.358 0.000 1.048 483 C N -0.810 118.419 119.300 -0.119 0.000 3.239 483 C HA 0.694 5.153 4.460 -0.001 0.000 0.317 483 C C -1.677 173.347 174.990 0.056 0.000 1.310 483 C CA -0.731 58.288 59.018 0.003 0.000 1.371 483 C CB 0.695 28.501 27.740 0.110 0.000 1.714 483 C HN 0.617 nan 8.230 nan 0.000 0.473 484 Y N 1.930 122.200 120.300 -0.049 0.000 2.484 484 Y HA 0.484 5.033 4.550 -0.001 0.000 0.348 484 Y C 0.418 176.311 175.900 -0.011 0.000 1.103 484 Y CA -0.313 57.764 58.100 -0.038 0.000 1.317 484 Y CB 0.433 38.876 38.460 -0.028 0.000 1.096 484 Y HN 1.034 nan 8.280 nan 0.000 0.568 485 R N 3.690 124.103 120.500 -0.146 0.000 2.500 485 R HA -0.001 4.339 4.340 -0.001 0.000 0.281 485 R C -0.382 175.872 176.300 -0.077 0.000 0.953 485 R CA 0.786 56.830 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 2.159 121.939 119.800 -0.032 0.000 2.241 486 Q HA 0.134 4.474 4.340 -0.001 0.000 0.262 486 Q C -0.710 175.249 176.000 -0.068 0.000 1.014 486 Q CA -0.857 54.913 55.803 -0.054 0.000 0.885 486 Q CB 1.623 30.316 28.738 -0.076 0.000 1.311 486 Q HN 0.504 nan 8.270 nan 0.000 0.461 487 Q N 1.139 120.894 119.800 -0.074 0.000 2.340 487 Q HA 0.151 4.491 4.340 -0.001 0.000 0.249 487 Q C -0.815 175.150 176.000 -0.058 0.000 0.957 487 Q CA 0.161 55.946 55.803 -0.031 0.000 0.882 487 Q CB 0.763 29.540 28.738 0.065 0.000 1.235 487 Q HN 0.380 nan 8.270 nan 0.000 0.439 488 R N 3.007 123.481 120.500 -0.043 0.000 2.308 488 R HA 0.445 4.784 4.340 -0.001 0.000 0.305 488 R C -1.186 175.097 176.300 -0.029 0.000 1.053 488 R CA -0.447 55.618 56.100 -0.058 0.000 0.957 488 R CB 0.355 30.598 30.300 -0.095 0.000 1.022 488 R HN 0.526 nan 8.270 nan 0.000 0.461 489 L N 1.779 122.890 121.223 -0.185 0.000 2.341 489 L HA 0.433 4.773 4.340 -0.001 0.000 0.267 489 L C -0.249 176.515 176.870 -0.176 0.000 1.009 489 L CA -0.183 54.485 54.840 -0.285 0.000 0.819 489 L CB 2.019 43.578 42.059 -0.834 0.000 1.323 489 L HN 0.573 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 -0.182 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 1.116 121.520 120.400 0.007 0.000 2.296 491 K HA 0.031 4.351 4.320 -0.001 0.000 0.200 491 K C 0.195 176.802 176.600 0.012 0.000 1.048 491 K CA 0.731 57.069 56.287 0.086 0.000 0.966 491 K CB -0.203 32.318 32.500 0.033 0.000 0.754 491 K HN 0.541 nan 8.250 nan 0.000 0.466 492 T N 1.751 116.276 114.554 -0.048 0.000 2.727 492 T HA 0.215 4.565 4.350 -0.001 0.000 0.295 492 T C 0.497 175.196 174.700 -0.000 0.000 0.915 492 T CA -0.366 61.714 62.100 -0.033 0.000 1.066 492 T CB 1.297 70.129 68.868 -0.060 0.000 0.891 492 T HN 0.118 nan 8.240 nan 0.000 0.516 493 A N 3.938 126.769 122.820 0.018 0.000 2.190 493 A HA 0.068 4.387 4.320 -0.001 0.000 0.226 493 A C 1.517 179.123 177.584 0.036 0.000 1.402 493 A CA -0.082 51.977 52.037 0.037 0.000 1.288 493 A CB -0.801 18.221 19.000 0.035 0.000 0.833 493 A HN 0.956 nan 8.150 nan 0.000 0.564 494 N N -2.558 116.160 118.700 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 0.097 176.447 176.300 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 0.250 nan 8.370 nan 0.000 0.521 496 N N 1.061 119.813 118.700 0.087 0.000 2.463 496 N HA 0.033 4.773 4.740 -0.001 0.000 0.270 496 N C 0.069 175.616 175.510 0.061 0.000 1.205 496 N CA -0.332 52.782 53.050 0.107 0.000 0.974 496 N CB 0.441 39.040 38.487 0.185 0.000 1.197 496 N HN -0.001 nan 8.380 nan 0.000 0.504 497 N N 0.755 119.453 118.700 -0.003 0.000 2.492 497 N HA -0.099 4.640 4.740 -0.001 0.000 0.262 497 N C -0.164 175.366 175.510 0.033 0.000 1.202 497 N CA 0.279 53.291 53.050 -0.063 0.000 0.926 497 N CB 0.139 38.469 38.487 -0.261 0.000 1.078 497 N HN 0.472 nan 8.380 nan 0.000 0.454 498 N N 1.640 120.354 118.700 0.024 0.000 3.210 498 N HA -0.023 4.716 4.740 -0.001 0.000 0.314 498 N C -0.844 174.707 175.510 0.068 0.000 1.291 498 N CA -0.276 52.806 53.050 0.054 0.000 1.202 498 N CB -0.031 38.476 38.487 0.032 0.000 1.475 498 N HN 0.475 nan 8.380 nan 0.000 0.554 499 S N 0.034 115.808 115.700 0.124 0.000 2.661 499 S HA 0.294 4.764 4.470 -0.001 0.000 0.285 499 S C -0.773 174.022 174.600 0.324 0.000 1.138 499 S CA -1.076 57.222 58.200 0.164 0.000 0.855 499 S CB 1.604 64.860 63.200 0.093 0.000 1.136 499 S HN 0.240 nan 8.310 nan 0.000 0.484 500 N N 0.741 119.597 118.700 0.259 0.000 2.699 500 N HA 0.420 5.160 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 -1.036 52.141 53.050 0.212 0.000 0.920 500 N CB -0.285 38.267 38.487 0.110 0.000 1.148 500 N HN 0.678 nan 8.380 nan 0.000 0.509 501 F N 1.161 121.152 119.950 0.069 0.000 2.791 501 F HA 0.573 5.100 4.527 -0.001 0.000 0.308 501 F C -1.843 174.020 175.800 0.105 0.000 1.138 501 F CA -1.610 56.437 58.000 0.077 0.000 1.294 501 F CB 0.668 39.692 39.000 0.039 0.000 0.975 501 F HN 0.190 nan 8.300 nan 0.000 0.512 502 P HA -0.076 nan 4.420 nan 0.000 0.242 502 P C 0.777 178.184 177.300 0.178 0.000 1.197 502 P CA 1.105 64.159 63.100 -0.078 0.000 0.765 502 P CB -0.052 31.614 31.700 -0.056 0.000 0.936 503 W N -0.283 121.022 121.300 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 0.846 58.206 57.345 0.025 0.000 1.657 503 W CB -0.119 29.341 29.460 -0.000 0.000 0.773 503 W HN -0.099 nan 8.180 nan 0.000 0.836 504 T N -0.478 114.135 114.554 0.099 0.000 3.055 504 T HA 0.223 4.572 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 1.132 63.228 62.100 -0.005 0.000 1.118 504 T CB 0.041 68.984 68.868 0.126 0.000 0.909 504 T HN 0.088 nan 8.240 nan 0.000 0.501 505 A N 0.233 123.107 122.820 0.090 0.000 2.545 505 A HA 0.835 5.154 4.320 -0.001 0.000 0.263 505 A C 0.998 178.648 177.584 0.108 0.000 1.202 505 A CA -0.073 52.038 52.037 0.124 0.000 0.959 505 A CB 0.098 19.264 19.000 0.276 0.000 1.124 505 A HN 0.633 nan 8.150 nan 0.000 0.543 506 A N -0.009 122.847 122.820 0.060 0.000 2.279 506 A HA 0.671 4.990 4.320 -0.001 0.000 0.303 506 A C 0.375 177.996 177.584 0.061 0.000 1.108 506 A CA -0.245 51.855 52.037 0.106 0.000 0.830 506 A CB 0.381 19.526 19.000 0.241 0.000 1.106 506 A HN 0.238 nan 8.150 nan 0.000 0.493 507 S N 0.792 116.583 115.700 0.152 0.000 2.549 507 S HA 0.452 4.922 4.470 -0.001 0.000 0.279 507 S C 0.006 174.736 174.600 0.216 0.000 1.321 507 S CA -0.219 58.100 58.200 0.199 0.000 1.054 507 S CB 0.171 63.551 63.200 0.300 0.000 0.899 507 S HN 0.668 nan 8.310 nan 0.000 0.497 508 K N 1.143 121.648 120.400 0.175 0.000 2.571 508 K HA 0.581 4.900 4.320 -0.001 0.000 0.289 508 K C -1.610 175.076 176.600 0.144 0.000 1.028 508 K CA -1.049 55.261 56.287 0.039 0.000 0.895 508 K CB 1.160 33.526 32.500 -0.222 0.000 1.534 508 K HN 0.581 nan 8.250 nan 0.000 0.421 509 Y N -1.675 118.649 120.300 0.041 0.000 2.638 509 Y HA 0.620 5.170 4.550 -0.001 0.000 0.339 509 Y C -1.096 174.878 175.900 0.123 0.000 1.084 509 Y CA -1.062 57.073 58.100 0.059 0.000 1.068 509 Y CB 1.640 40.084 38.460 -0.028 0.000 1.294 509 Y HN 0.749 nan 8.280 nan 0.000 0.480 510 H N 1.950 121.174 119.070 0.257 0.000 2.877 510 H HA 0.549 5.105 4.556 -0.001 0.000 0.347 510 H C -2.366 173.100 175.328 0.229 0.000 1.042 510 H CA -1.049 55.091 56.048 0.154 0.000 1.276 510 H CB 1.574 31.380 29.762 0.073 0.000 1.681 510 H HN 0.879 nan 8.280 nan 0.000 0.521 511 L N 4.177 125.484 121.223 0.141 0.000 2.305 511 L HA 0.184 4.523 4.340 -0.001 0.000 0.284 511 L C 0.399 177.339 176.870 0.117 0.000 1.013 511 L CA -0.645 54.234 54.840 0.066 0.000 0.819 511 L CB 1.071 43.229 42.059 0.164 0.000 1.227 511 L HN 0.865 nan 8.230 nan 0.000 0.417 512 N N 3.174 121.924 118.700 0.083 0.000 2.758 512 N HA -0.174 4.565 4.740 -0.001 0.000 0.248 512 N C 0.640 176.267 175.510 0.194 0.000 1.076 512 N CA 1.114 54.239 53.050 0.125 0.000 0.696 512 N CB -0.766 37.783 38.487 0.104 0.000 0.979 512 N HN 1.059 nan 8.380 nan 0.000 0.550 513 G N 0.005 109.017 108.800 0.354 0.000 2.273 513 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.280 513 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.280 513 G C -0.106 174.928 174.900 0.224 0.000 1.047 513 G CA 0.594 45.874 45.100 0.300 0.000 0.869 513 G HN 0.750 nan 8.290 nan 0.000 0.502 514 R N 0.397 121.064 120.500 0.278 0.000 2.507 514 R HA 0.280 4.619 4.340 -0.001 0.000 0.298 514 R C -1.118 175.293 176.300 0.185 0.000 1.087 514 R CA -0.835 55.383 56.100 0.197 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 1.970 122.474 120.400 0.173 0.000 2.417 515 D HA 0.097 4.737 4.640 -0.001 0.000 0.250 515 D C -0.607 175.725 176.300 0.054 0.000 1.166 515 D CA 0.806 54.873 54.000 0.112 0.000 0.881 515 D CB 1.545 42.436 40.800 0.152 0.000 1.164 515 D HN 0.334 nan 8.370 nan 0.000 0.467 516 S N 1.632 117.154 115.700 -0.295 0.000 2.521 516 S HA 0.301 4.771 4.470 -0.001 0.000 0.295 516 S C -0.377 173.953 174.600 -0.450 0.000 1.098 516 S CA -0.763 57.189 58.200 -0.412 0.000 0.999 516 S CB 1.813 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 0.308 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 42.533 42.059 -0.091 0.000 1.154 517 L HN 0.505 nan 8.230 nan 0.000 0.462 518 V N 6.864 126.791 119.914 0.022 0.000 2.070 518 V HA -0.003 4.117 4.120 -0.001 0.000 0.239 518 V C 1.369 177.557 176.094 0.156 0.000 1.472 518 V CA 0.119 62.515 62.300 0.159 0.000 1.453 518 V CB -0.957 30.982 31.823 0.195 0.000 1.503 518 V HN 0.914 nan 8.190 nan 0.000 0.501 519 N N 5.271 123.983 118.700 0.021 0.000 2.030 519 N HA -0.027 4.713 4.740 -0.001 0.000 0.194 519 N C -1.898 173.767 175.510 0.259 0.000 1.074 519 N CA 1.077 54.152 53.050 0.042 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 0.278 nan 4.420 nan 0.000 0.291 520 P C -0.457 176.919 177.300 0.127 0.000 1.340 520 P CA -0.349 62.840 63.100 0.148 0.000 0.799 520 P CB 1.223 32.989 31.700 0.110 0.000 0.917 521 G N 4.831 113.712 108.800 0.135 0.000 2.509 521 G HA2 0.418 4.378 3.960 -0.001 0.000 0.269 521 G HA3 0.418 4.378 3.960 -0.001 0.000 0.269 521 G C -2.420 172.517 174.900 0.061 0.000 1.416 521 G CA -1.675 43.476 45.100 0.085 0.000 1.052 521 G HN 0.243 nan 8.290 nan 0.000 0.542 522 P HA 0.214 nan 4.420 nan 0.000 0.269 522 P C -0.152 177.172 177.300 0.039 0.000 1.205 522 P CA 0.162 63.259 63.100 -0.004 0.000 0.780 522 P CB 0.320 31.983 31.700 -0.061 0.000 0.858 523 A N 3.466 126.313 122.820 0.045 0.000 2.496 523 A HA 0.307 4.627 4.320 -0.001 0.000 0.278 523 A C 0.112 177.740 177.584 0.074 0.000 1.137 523 A CA 0.509 52.599 52.037 0.088 0.000 0.805 523 A CB -1.036 18.044 19.000 0.134 0.000 1.077 523 A HN 0.427 nan 8.150 nan 0.000 0.513 524 M N 2.248 121.897 119.600 0.081 0.000 2.518 524 M HA 0.555 5.034 4.480 -0.001 0.000 0.300 524 M C 0.269 176.610 176.300 0.070 0.000 1.175 524 M CA -0.433 54.911 55.300 0.073 0.000 0.890 524 M CB 2.295 34.939 32.600 0.074 0.000 1.710 524 M HN 0.679 nan 8.290 nan 0.000 0.453 525 A N 1.107 123.955 122.820 0.047 0.000 2.445 525 A HA 0.328 4.647 4.320 -0.001 0.000 0.242 525 A C 0.771 178.375 177.584 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 0.936 nan 8.150 nan 0.000 0.493 526 S N 0.462 116.183 115.700 0.035 0.000 2.395 526 S HA 0.040 4.509 4.470 -0.001 0.000 0.225 526 S C 0.679 175.402 174.600 0.205 0.000 1.027 526 S CA 1.282 59.567 58.200 0.143 0.000 0.965 526 S CB -0.261 63.083 63.200 0.239 0.000 0.812 526 S HN 0.951 nan 8.310 nan 0.000 0.482 527 H N 0.247 119.382 119.070 0.107 0.000 3.037 527 H HA 0.498 5.054 4.556 -0.001 0.000 0.355 527 H C -1.213 174.160 175.328 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 0.771 121.268 120.400 0.162 0.000 2.179 528 K HA 0.225 4.544 4.320 -0.001 0.000 0.238 528 K C -0.602 176.101 176.600 0.172 0.000 1.033 528 K CA -0.775 55.564 56.287 0.086 0.000 0.926 528 K CB 0.650 33.179 32.500 0.048 0.000 1.151 528 K HN 0.326 nan 8.250 nan 0.000 0.492 529 D N 1.268 121.728 120.400 0.100 0.000 2.449 529 D HA -0.016 4.623 4.640 -0.001 0.000 0.236 529 D C -0.424 175.952 176.300 0.128 0.000 1.149 529 D CA 0.936 55.003 54.000 0.112 0.000 0.878 529 D CB 0.072 40.908 40.800 0.061 0.000 1.198 529 D HN 0.567 nan 8.370 nan 0.000 0.446 530 D N 1.468 121.943 120.400 0.125 0.000 2.699 530 D HA -0.171 4.469 4.640 -0.001 0.000 0.239 530 D C 0.551 176.918 176.300 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 -0.721 119.557 120.200 0.129 0.000 3.470 531 E HA 0.092 4.441 4.350 -0.001 0.000 0.220 531 E C 0.645 177.203 176.600 -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 0.757 120.713 120.200 -0.407 0.000 3.916 532 E HA -0.264 4.085 4.350 -0.001 0.000 0.331 532 E C 0.769 177.153 176.600 -0.360 0.000 0.729 532 E CA 1.787 57.718 56.400 -0.782 0.000 1.222 532 E CB -1.044 28.457 29.700 -0.333 0.000 1.633 532 E HN 0.318 nan 8.360 nan 0.000 0.437 533 K N -0.981 119.285 120.400 -0.223 0.000 2.399 533 K HA 0.176 4.496 4.320 -0.001 0.000 0.196 533 K C 0.133 176.592 176.600 -0.234 0.000 1.103 533 K CA 0.115 56.260 56.287 -0.236 0.000 0.986 533 K CB 0.263 32.555 32.500 -0.347 0.000 0.952 533 K HN 0.053 nan 8.250 nan 0.000 0.541 534 F N 3.008 122.969 119.950 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 0.127 0.000 1.120 534 F CA -1.337 56.686 58.000 0.039 0.000 1.144 534 F CB 0.670 39.676 39.000 0.010 0.000 1.133 534 F HN -0.000 nan 8.300 nan 0.000 0.495 535 F N 3.254 123.312 119.950 0.180 0.000 2.508 535 F HA 0.801 5.327 4.527 -0.001 0.000 0.325 535 F C -3.117 172.751 175.800 0.113 0.000 1.090 535 F CA -3.845 54.237 58.000 0.137 0.000 0.945 535 F CB 0.769 39.815 39.000 0.075 0.000 1.156 535 F HN 0.114 nan 8.300 nan 0.000 0.463 536 P HA 0.059 nan 4.420 nan 0.000 0.268 536 P C -0.270 176.989 177.300 -0.068 0.000 1.204 536 P CA -0.212 62.884 63.100 -0.007 0.000 0.768 536 P CB 0.639 32.373 31.700 0.058 0.000 0.842 537 M N 5.646 125.112 119.600 -0.223 0.000 2.734 537 M HA -0.072 4.408 4.480 -0.001 0.000 0.356 537 M C 1.083 177.095 176.300 -0.480 0.000 1.790 537 M CA 0.813 55.959 55.300 -0.257 0.000 1.231 537 M CB -1.405 31.039 32.600 -0.260 0.000 2.102 537 M HN 0.605 nan 8.290 nan 0.000 0.463 538 H N 0.848 120.037 119.070 0.197 0.000 2.884 538 H HA -0.198 4.358 4.556 -0.001 0.000 0.289 538 H C 0.508 175.914 175.328 0.130 0.000 1.142 538 H CA 0.585 56.723 56.048 0.149 0.000 1.158 538 H CB -2.175 27.643 29.762 0.094 0.000 1.325 538 H HN 0.880 nan 8.280 nan 0.000 0.366 539 G N 0.919 109.756 108.800 0.060 0.000 3.155 539 G HA2 0.075 4.035 3.960 -0.001 0.000 0.213 539 G HA3 0.075 4.035 3.960 -0.001 0.000 0.213 539 G C 0.416 175.404 174.900 0.146 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 -1.205 117.586 118.700 0.153 0.000 3.046 540 N HA 0.243 4.982 4.740 -0.001 0.000 0.243 540 N C -1.615 173.913 175.510 0.031 0.000 1.452 540 N CA -0.871 52.245 53.050 0.110 0.000 0.882 540 N CB 0.941 39.498 38.487 0.115 0.000 1.425 540 N HN -0.189 nan 8.380 nan 0.000 0.517 541 L N 0.397 121.597 121.223 -0.037 0.000 2.371 541 L HA 0.521 4.860 4.340 -0.001 0.000 0.272 541 L C 0.017 176.647 176.870 -0.401 0.000 1.124 541 L CA -0.043 54.665 54.840 -0.220 0.000 0.816 541 L CB 0.319 42.231 42.059 -0.244 0.000 1.129 541 L HN 0.515 nan 8.230 nan 0.000 0.448 542 I N 2.791 123.062 120.570 -0.498 0.000 2.499 542 I HA 0.357 4.527 4.170 -0.001 0.000 0.288 542 I C -0.998 174.807 176.117 -0.520 0.000 1.048 542 I CA -0.385 60.660 61.300 -0.425 0.000 1.062 542 I CB 1.473 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 2.918 122.820 119.950 -0.079 0.000 2.443 543 F HA 0.618 5.144 4.527 -0.001 0.000 0.335 543 F C 0.994 176.759 175.800 -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 2.751 111.636 108.800 0.141 0.000 2.353 544 G HA2 0.342 4.301 3.960 -0.001 0.000 0.284 544 G HA3 0.342 4.301 3.960 -0.001 0.000 0.284 544 G C -0.503 174.419 174.900 0.036 0.000 1.172 544 G CA -0.716 44.417 45.100 0.055 0.000 0.854 544 G HN 0.559 nan 8.290 nan 0.000 0.485 545 K N 0.698 121.096 120.400 -0.004 0.000 2.285 545 K HA 0.031 4.351 4.320 -0.001 0.000 0.255 545 K C 0.307 176.883 176.600 -0.040 0.000 1.000 545 K CA -0.075 56.188 56.287 -0.040 0.000 0.887 545 K CB 0.548 33.014 32.500 -0.057 0.000 0.997 545 K HN 0.495 nan 8.250 nan 0.000 0.510 546 E N 0.536 120.695 120.200 -0.069 0.000 2.351 546 E HA 0.099 4.449 4.350 -0.001 0.000 0.266 546 E C -0.294 176.280 176.600 -0.043 0.000 1.031 546 E CA 0.976 57.341 56.400 -0.059 0.000 0.911 546 E CB 0.113 29.758 29.700 -0.093 0.000 0.986 546 E HN 0.630 nan 8.360 nan 0.000 0.446 547 G N 3.685 112.471 108.800 -0.023 0.000 2.694 547 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.247 547 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.247 547 G C -0.409 174.479 174.900 -0.020 0.000 0.989 547 G CA 0.092 45.181 45.100 -0.019 0.000 1.252 547 G HN 0.629 nan 8.290 nan 0.000 0.483 548 T N 1.402 115.949 114.554 -0.012 0.000 3.578 548 T HA 0.460 4.809 4.350 -0.001 0.000 0.343 548 T C 0.349 175.044 174.700 -0.009 0.000 1.126 548 T CA -0.089 62.003 62.100 -0.014 0.000 1.092 548 T CB 1.179 70.036 68.868 -0.017 0.000 1.160 548 T HN 0.794 nan 8.240 nan 0.000 0.469 549 T N 2.507 117.055 114.554 -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 0.278 62.372 62.100 -0.010 0.000 1.136 549 T CB 0.475 69.336 68.868 -0.012 0.000 1.035 549 T HN 0.768 nan 8.240 nan 0.000 0.538 550 A N 2.509 125.324 122.820 -0.008 0.000 2.206 550 A HA 0.220 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 0.261 52.292 52.037 -0.011 0.000 0.761 550 A CB 0.163 19.159 19.000 -0.007 0.000 0.801 550 A HN 0.608 nan 8.150 nan 0.000 0.473 551 S N 0.145 115.834 115.700 -0.018 0.000 2.530 551 S HA 0.417 4.887 4.470 -0.001 0.000 0.322 551 S C -0.462 174.126 174.600 -0.020 0.000 1.085 551 S CA -0.702 57.484 58.200 -0.022 0.000 1.096 551 S CB -0.304 62.883 63.200 -0.022 0.000 0.988 551 S HN 0.539 nan 8.310 nan 0.000 0.466 552 N N 2.265 120.952 118.700 -0.022 0.000 2.620 552 N HA -0.202 4.537 4.740 -0.001 0.000 0.293 552 N C -0.499 175.001 175.510 -0.017 0.000 1.178 552 N CA 0.661 53.700 53.050 -0.018 0.000 0.750 552 N CB -0.419 38.057 38.487 -0.017 0.000 0.949 552 N HN 0.670 nan 8.380 nan 0.000 0.555 553 A N 1.213 124.022 122.820 -0.018 0.000 2.306 553 A HA 0.577 4.896 4.320 -0.001 0.000 0.330 553 A C 0.322 177.894 177.584 -0.020 0.000 1.146 553 A CA -0.547 51.478 52.037 -0.019 0.000 0.827 553 A CB 1.026 20.014 19.000 -0.021 0.000 1.178 553 A HN 0.497 nan 8.150 nan 0.000 0.490 554 E N 0.127 120.314 120.200 -0.020 0.000 2.408 554 E HA 0.180 4.529 4.350 -0.001 0.000 0.259 554 E C 0.885 177.467 176.600 -0.029 0.000 1.110 554 E CA -0.173 56.215 56.400 -0.020 0.000 0.929 554 E CB 0.573 30.261 29.700 -0.019 0.000 0.971 554 E HN 0.554 nan 8.360 nan 0.000 0.438 555 L N 2.438 123.645 121.223 -0.027 0.000 2.265 555 L HA -0.106 4.234 4.340 -0.001 0.000 0.215 555 L C 0.763 177.601 176.870 -0.053 0.000 1.117 555 L CA 1.800 56.613 54.840 -0.044 0.000 0.782 555 L CB -0.092 41.949 42.059 -0.030 0.000 0.914 555 L HN 0.550 nan 8.230 nan 0.000 0.441 556 D N -0.706 119.669 120.400 -0.041 0.000 2.349 556 D HA -0.038 4.602 4.640 -0.001 0.000 0.224 556 D C 0.920 177.193 176.300 -0.045 0.000 1.029 556 D CA 0.328 54.302 54.000 -0.043 0.000 0.879 556 D CB -0.008 40.771 40.800 -0.036 0.000 0.906 556 D HN 0.412 nan 8.370 nan 0.000 0.528 557 N N 0.050 118.724 118.700 -0.044 0.000 2.205 557 N HA 0.025 4.765 4.740 -0.001 0.000 0.201 557 N C 0.238 175.723 175.510 -0.041 0.000 1.128 557 N CA 0.068 53.093 53.050 -0.041 0.000 0.867 557 N CB 1.608 40.075 38.487 -0.033 0.000 0.996 557 N HN 0.097 nan 8.380 nan 0.000 0.503 558 V N -2.118 117.765 119.914 -0.051 0.000 3.113 558 V HA 0.661 4.780 4.120 -0.001 0.000 0.316 558 V C -0.374 175.685 176.094 -0.058 0.000 1.125 558 V CA -0.979 61.290 62.300 -0.051 0.000 1.026 558 V CB 2.447 34.227 31.823 -0.072 0.000 1.080 558 V HN -0.185 nan 8.190 nan 0.000 0.444 559 M N 2.840 122.421 119.600 -0.032 0.000 2.085 559 M HA 0.585 5.065 4.480 -0.001 0.000 0.309 559 M C -1.019 175.248 176.300 -0.056 0.000 0.947 559 M CA -0.135 55.153 55.300 -0.022 0.000 0.918 559 M CB 1.676 34.302 32.600 0.043 0.000 1.504 559 M HN 0.554 nan 8.290 nan 0.000 0.420 560 I N 2.357 122.854 120.570 -0.122 0.000 2.428 560 I HA 0.369 4.539 4.170 -0.001 0.000 0.296 560 I C 0.587 176.641 176.117 -0.105 0.000 0.985 560 I CA -0.680 60.512 61.300 -0.179 0.000 1.260 560 I CB 1.797 39.598 38.000 -0.333 0.000 1.389 560 I HN 0.604 nan 8.210 nan 0.000 0.484 561 T N 0.300 114.787 114.554 -0.111 0.000 2.767 561 T HA 0.307 4.657 4.350 -0.001 0.000 0.288 561 T C -0.554 174.182 174.700 0.059 0.000 0.963 561 T CA -0.848 61.202 62.100 -0.085 0.000 1.019 561 T CB 1.465 70.165 68.868 -0.281 0.000 0.923 561 T HN 0.372 nan 8.240 nan 0.000 0.468 562 D N 2.167 122.646 120.400 0.131 0.000 2.274 562 D HA 0.204 4.844 4.640 -0.001 0.000 0.239 562 D C -0.086 176.338 176.300 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 0.454 nan 8.370 nan 0.000 0.477 563 E N 3.262 123.566 120.200 0.172 0.000 2.360 563 E HA 0.062 4.411 4.350 -0.001 0.000 0.253 563 E C 0.072 176.690 176.600 0.031 0.000 1.189 563 E CA -0.045 56.434 56.400 0.132 0.000 1.252 563 E CB 0.328 30.111 29.700 0.139 0.000 1.408 563 E HN 0.651 nan 8.360 nan 0.000 0.464 564 E N -0.359 119.843 120.200 0.003 0.000 2.501 564 E HA 0.098 4.448 4.350 -0.001 0.000 0.200 564 E C 0.303 176.870 176.600 -0.054 0.000 1.016 564 E CA 0.036 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 1.084 121.265 120.200 -0.032 0.000 2.340 565 E HA 0.081 4.431 4.350 -0.001 0.000 0.194 565 E C 1.704 178.278 176.600 -0.044 0.000 0.996 565 E CA 0.414 56.783 56.400 -0.052 0.000 0.869 565 E CB 0.112 29.763 29.700 -0.082 0.000 0.835 565 E HN 0.533 nan 8.360 nan 0.000 0.493 566 I N -1.889 118.667 120.570 -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 0.112 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 1.493 121.989 120.500 -0.006 0.000 2.249 567 R HA -0.093 4.246 4.340 -0.001 0.000 0.230 567 R C 1.996 178.299 176.300 0.005 0.000 1.121 567 R CA 1.911 58.004 56.100 -0.013 0.000 0.997 567 R CB -0.364 29.916 30.300 -0.035 0.000 0.867 567 R HN 0.655 nan 8.270 nan 0.000 0.465 568 T N -3.820 110.749 114.554 0.024 0.000 3.057 568 T HA 0.017 4.367 4.350 -0.001 0.000 0.254 568 T C 1.681 176.387 174.700 0.009 0.000 1.094 568 T CA 0.939 63.051 62.100 0.020 0.000 1.088 568 T CB 0.379 69.272 68.868 0.042 0.000 0.934 568 T HN 0.267 nan 8.240 nan 0.000 0.497 569 T N -1.594 112.982 114.554 0.036 0.000 2.964 569 T HA 0.316 4.665 4.350 -0.001 0.000 0.250 569 T C 0.323 175.079 174.700 0.093 0.000 0.982 569 T CA -0.474 61.654 62.100 0.047 0.000 0.959 569 T CB -0.252 68.650 68.868 0.057 0.000 1.141 569 T HN 0.339 nan 8.240 nan 0.000 0.494 570 N N 2.179 120.928 118.700 0.082 0.000 2.319 570 N HA 0.608 5.348 4.740 -0.001 0.000 0.305 570 N C -3.103 172.439 175.510 0.054 0.000 1.103 570 N CA -1.898 51.207 53.050 0.092 0.000 0.815 570 N CB 1.779 40.325 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 1.388 121.313 119.914 0.018 0.000 2.614 572 V HA 0.183 4.303 4.120 -0.001 0.000 0.291 572 V C 1.636 177.751 176.094 0.034 0.000 1.049 572 V CA 0.439 62.751 62.300 0.020 0.000 1.038 572 V CB 0.232 32.058 31.823 0.004 0.000 0.980 572 V HN 0.710 nan 8.190 nan 0.000 0.481 573 A N 3.798 126.644 122.820 0.043 0.000 1.902 573 A HA -0.147 4.172 4.320 -0.001 0.000 0.217 573 A C 2.222 179.815 177.584 0.016 0.000 1.181 573 A CA 2.321 54.385 52.037 0.044 0.000 0.623 573 A CB -0.709 18.325 19.000 0.058 0.000 0.818 573 A HN 1.007 nan 8.150 nan 0.000 0.443 574 T N -2.559 111.998 114.554 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 0.429 62.511 62.100 -0.029 0.000 1.135 574 T CB -0.162 68.682 68.868 -0.040 0.000 0.895 574 T HN 0.380 nan 8.240 nan 0.000 0.480 575 E N 2.394 122.576 120.200 -0.031 0.000 2.376 575 E HA 0.210 4.560 4.350 -0.001 0.000 0.254 575 E C 0.558 177.147 176.600 -0.018 0.000 1.213 575 E CA -0.320 56.057 56.400 -0.038 0.000 0.945 575 E CB 0.476 30.155 29.700 -0.036 0.000 1.057 575 E HN 0.758 nan 8.360 nan 0.000 0.479 576 Q N -0.328 119.460 119.800 -0.020 0.000 2.700 576 Q HA -0.014 4.326 4.340 -0.001 0.000 0.191 576 Q C 0.655 176.691 176.000 0.059 0.000 1.134 576 Q CA 0.045 55.854 55.803 0.010 0.000 1.193 576 Q CB 0.163 28.899 28.738 -0.003 0.000 1.250 576 Q HN 0.622 nan 8.270 nan 0.000 0.670 577 Y N -1.290 118.985 120.300 -0.041 0.000 2.351 577 Y HA 0.411 4.961 4.550 -0.001 0.000 0.291 577 Y C 0.634 176.520 175.900 -0.024 0.000 1.153 577 Y CA 1.152 59.234 58.100 -0.030 0.000 1.193 577 Y CB 0.834 39.275 38.460 -0.032 0.000 1.187 577 Y HN 0.802 nan 8.280 nan 0.000 0.524 578 G N -1.193 107.636 108.800 0.048 0.000 2.588 578 G HA2 0.399 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 -1.457 173.464 174.900 0.035 0.000 1.223 578 G CA -0.365 44.710 45.100 -0.041 0.000 0.871 578 G HN -0.067 nan 8.290 nan 0.000 0.492 579 T N 0.178 114.748 114.554 0.027 0.000 2.879 579 T HA 0.613 4.963 4.350 -0.001 0.000 0.290 579 T C -0.853 173.867 174.700 0.034 0.000 0.993 579 T CA -0.229 61.885 62.100 0.023 0.000 0.975 579 T CB 1.658 70.526 68.868 -0.001 0.000 0.981 579 T HN 0.617 nan 8.240 nan 0.000 0.439 580 V N 2.166 122.099 119.914 0.031 0.000 2.628 580 V HA 0.851 4.971 4.120 -0.001 0.000 0.306 580 V C 0.349 176.452 176.094 0.016 0.000 1.045 580 V CA -1.203 61.114 62.300 0.028 0.000 0.905 580 V CB 1.727 33.567 31.823 0.028 0.000 0.997 580 V HN 1.063 nan 8.190 nan 0.000 0.436 581 A N 3.165 125.994 122.820 0.015 0.000 2.322 581 A HA 0.676 4.996 4.320 -0.001 0.000 0.269 581 A C 0.424 178.013 177.584 0.008 0.000 1.094 581 A CA -0.380 51.663 52.037 0.011 0.000 0.807 581 A CB 0.179 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 1.135 119.838 118.700 0.005 0.000 2.604 582 N HA 0.122 4.862 4.740 -0.001 0.000 0.284 582 N C -1.200 174.311 175.510 0.003 0.000 1.716 582 N CA -0.418 52.633 53.050 0.003 0.000 0.859 582 N CB 0.110 38.597 38.487 0.001 0.000 1.403 582 N HN 0.739 nan 8.380 nan 0.000 0.501 583 N N -0.208 118.495 118.700 0.004 0.000 3.355 583 N HA 0.202 4.942 4.740 -0.001 0.000 0.238 583 N C -1.729 173.784 175.510 0.006 0.000 1.466 583 N CA -0.583 52.469 53.050 0.004 0.000 0.882 583 N CB 0.720 39.208 38.487 0.002 0.000 1.406 583 N HN 0.047 nan 8.380 nan 0.000 0.500 584 L N 1.404 122.630 121.223 0.005 0.000 2.417 584 L HA 0.273 4.613 4.340 -0.001 0.000 0.258 584 L C 0.118 176.992 176.870 0.006 0.000 1.088 584 L CA -0.852 53.992 54.840 0.007 0.000 0.975 584 L CB 0.509 42.572 42.059 0.007 0.000 1.341 584 L HN 0.601 nan 8.230 nan 0.000 0.431 585 Q N 2.012 121.816 119.800 0.006 0.000 2.349 585 Q HA 0.408 4.748 4.340 -0.001 0.000 0.287 585 Q C 0.040 176.043 176.000 0.004 0.000 1.044 585 Q CA -0.005 55.801 55.803 0.004 0.000 0.918 585 Q CB 1.140 29.881 28.738 0.004 0.000 1.242 585 Q HN 0.558 nan 8.270 nan 0.000 0.405 586 S N 0.469 116.170 115.700 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 0.324 63.525 63.200 0.003 0.000 1.212 586 S HN 0.858 nan 8.310 nan 0.000 0.516 587 S N 1.228 116.927 115.700 -0.001 0.000 2.399 587 S HA -0.091 4.378 4.470 -0.001 0.000 0.231 587 S C 1.254 175.853 174.600 -0.002 0.000 1.022 587 S CA 1.108 59.307 58.200 -0.002 0.000 0.983 587 S CB -0.874 62.325 63.200 -0.002 0.000 0.803 587 S HN 0.646 nan 8.310 nan 0.000 0.480 588 N N 1.536 120.235 118.700 -0.001 0.000 2.300 588 N HA 0.044 4.783 4.740 -0.001 0.000 0.179 588 N C -0.054 175.455 175.510 -0.002 0.000 1.016 588 N CA 0.925 53.975 53.050 -0.001 0.000 0.876 588 N CB -0.135 38.351 38.487 -0.001 0.000 0.979 588 N HN 0.424 nan 8.380 nan 0.000 0.432 589 T N 0.415 114.968 114.554 -0.001 0.000 2.807 589 T HA 0.616 4.966 4.350 -0.001 0.000 0.279 589 T C -0.343 174.356 174.700 -0.002 0.000 0.993 589 T CA -0.807 61.293 62.100 -0.001 0.000 0.970 589 T CB 2.417 71.285 68.868 -0.000 0.000 0.950 589 T HN 0.104 nan 8.240 nan 0.000 0.441 590 A N 4.941 127.760 122.820 -0.003 0.000 2.328 590 A HA 0.624 4.944 4.320 -0.001 0.000 0.284 590 A C -2.158 175.425 177.584 -0.002 0.000 1.160 590 A CA -1.663 50.372 52.037 -0.003 0.000 0.818 590 A CB -0.259 18.738 19.000 -0.004 0.000 1.087 590 A HN 0.578 nan 8.150 nan 0.000 0.504 591 P HA 0.077 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 0.275 31.976 31.700 0.001 0.000 0.785 592 T N 2.563 117.116 114.554 -0.001 0.000 2.867 592 T HA 0.408 4.758 4.350 -0.001 0.000 0.282 592 T C 0.177 174.876 174.700 -0.001 0.000 1.000 592 T CA -0.223 61.876 62.100 -0.002 0.000 1.042 592 T CB 0.957 69.823 68.868 -0.003 0.000 0.973 592 T HN 0.235 nan 8.240 nan 0.000 0.465 593 T N 3.357 117.909 114.554 -0.004 0.000 2.824 593 T HA 0.528 4.877 4.350 -0.001 0.000 0.282 593 T C -0.468 174.229 174.700 -0.005 0.000 0.993 593 T CA -0.761 61.337 62.100 -0.003 0.000 0.967 593 T CB 1.115 69.980 68.868 -0.005 0.000 0.960 593 T HN 0.281 nan 8.240 nan 0.000 0.441 594 R N 2.289 122.788 120.500 -0.002 0.000 2.480 594 R HA 0.389 4.729 4.340 -0.001 0.000 0.306 594 R C -0.838 175.462 176.300 0.001 0.000 0.958 594 R CA -0.474 55.624 56.100 -0.004 0.000 0.861 594 R CB 1.459 31.757 30.300 -0.004 0.000 1.171 594 R HN 0.601 nan 8.270 nan 0.000 0.445 595 T N 3.378 117.929 114.554 -0.005 0.000 2.779 595 T HA 0.066 4.416 4.350 -0.001 0.000 0.296 595 T C -0.171 174.532 174.700 0.006 0.000 0.938 595 T CA -0.033 62.068 62.100 0.000 0.000 1.119 595 T CB 0.647 69.507 68.868 -0.012 0.000 0.891 595 T HN 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.847 125.783 119.914 0.036 0.000 2.408 596 V HA 0.271 4.391 4.120 -0.001 0.000 0.267 596 V C 0.604 176.717 176.094 0.033 0.000 1.047 596 V CA -0.343 61.978 62.300 0.034 0.000 0.937 596 V CB 0.457 32.325 31.823 0.075 0.000 0.999 596 V HN 0.833 nan 8.190 nan 0.000 0.472 597 N N 4.465 123.145 118.700 -0.034 0.000 2.254 597 N HA 0.149 4.888 4.740 -0.001 0.000 0.190 597 N C -0.418 175.014 175.510 -0.130 0.000 1.107 597 N CA 0.156 53.165 53.050 -0.067 0.000 0.869 597 N CB 0.614 39.040 38.487 -0.102 0.000 0.983 597 N HN 0.787 nan 8.380 nan 0.000 0.487 598 D N 0.649 120.962 120.400 -0.145 0.000 2.855 598 D HA 0.188 4.827 4.640 -0.001 0.000 0.241 598 D C -1.538 174.632 176.300 -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 2.586 122.207 119.800 -0.298 0.000 2.309 599 Q HA 0.657 4.997 4.340 -0.001 0.000 0.270 599 Q C 0.096 175.917 176.000 -0.298 0.000 1.023 599 Q CA -0.710 54.834 55.803 -0.432 0.000 0.758 599 Q CB 1.674 29.800 28.738 -1.020 0.000 1.247 599 Q HN 0.529 nan 8.270 nan 0.000 0.455 600 G N 1.995 110.659 108.800 -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 -0.675 174.080 174.900 -0.242 0.000 1.487 600 G CA -0.046 44.923 45.100 -0.218 0.000 1.058 600 G HN 0.793 nan 8.290 nan 0.000 0.552 601 A N -1.270 121.403 122.820 -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 -0.405 51.519 52.037 -0.189 0.000 0.822 601 A CB 0.788 19.595 19.000 -0.323 0.000 1.130 601 A HN 0.512 nan 8.150 nan 0.000 0.496 602 L N 2.091 123.341 121.223 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 52.876 54.840 0.089 0.000 0.819 602 L CB 2.673 44.781 42.059 0.082 0.000 1.330 602 L HN 0.439 nan 8.230 nan 0.000 0.410 603 P HA 0.169 nan 4.420 nan 0.000 0.262 603 P C 0.679 178.102 177.300 0.204 0.000 1.199 603 P CA 0.678 63.883 63.100 0.174 0.000 0.763 603 P CB 0.721 32.499 31.700 0.130 0.000 0.790 604 G N 2.480 111.446 108.800 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 0.223 175.361 174.900 0.397 0.000 0.997 604 G CA -0.530 44.803 45.100 0.388 0.000 0.640 604 G HN 0.437 nan 8.290 nan 0.000 0.496 605 M N 1.504 121.300 119.600 0.327 0.000 2.239 605 M HA 0.478 4.957 4.480 -0.001 0.000 0.348 605 M C 0.696 177.215 176.300 0.365 0.000 1.239 605 M CA 0.213 55.725 55.300 0.353 0.000 1.114 605 M CB 1.276 34.088 32.600 0.353 0.000 1.641 605 M HN 0.590 nan 8.290 nan 0.000 0.453 606 V N 1.213 121.308 119.914 0.302 0.000 2.962 606 V HA 0.949 5.069 4.120 -0.001 0.000 0.313 606 V C -1.532 174.743 176.094 0.302 0.000 1.099 606 V CA -0.653 61.711 62.300 0.105 0.000 0.971 606 V CB 1.860 33.580 31.823 -0.170 0.000 1.028 606 V HN 1.125 nan 8.190 nan 0.000 0.430 607 W N 1.512 122.772 121.300 -0.067 0.000 2.959 607 W HA 0.852 5.512 4.660 -0.001 0.000 0.358 607 W C -1.298 175.194 176.519 -0.045 0.000 1.228 607 W CA -0.763 56.554 57.345 -0.047 0.000 1.183 607 W CB 1.389 30.827 29.460 -0.036 0.000 1.467 607 W HN 0.783 nan 8.180 nan 0.000 0.578 608 Q N 1.171 121.093 119.800 0.203 0.000 2.297 608 Q HA 0.456 4.796 4.340 -0.001 0.000 0.269 608 Q C -1.083 175.038 176.000 0.202 0.000 1.051 608 Q CA -0.319 55.525 55.803 0.069 0.000 0.869 608 Q CB 1.723 30.466 28.738 0.009 0.000 1.346 608 Q HN 0.379 nan 8.270 nan 0.000 0.457 609 D N 0.128 120.586 120.400 0.096 0.000 2.440 609 D HA 0.365 5.004 4.640 -0.001 0.000 0.258 609 D C -0.462 175.907 176.300 0.114 0.000 1.092 609 D CA -0.513 53.587 54.000 0.168 0.000 1.016 609 D CB 0.850 41.756 40.800 0.178 0.000 1.141 609 D HN 0.349 nan 8.370 nan 0.000 0.552 610 R N 0.565 121.156 120.500 0.150 0.000 2.679 610 R HA 0.075 4.415 4.340 -0.001 0.000 0.268 610 R C -0.132 176.259 176.300 0.152 0.000 1.044 610 R CA 0.072 56.261 56.100 0.148 0.000 1.105 610 R CB 0.334 30.735 30.300 0.168 0.000 0.989 610 R HN 0.416 nan 8.270 nan 0.000 0.447 611 D N 0.452 120.906 120.400 0.090 0.000 2.371 611 D HA 0.171 4.811 4.640 -0.001 0.000 0.242 611 D C -0.639 175.498 176.300 -0.272 0.000 1.218 611 D CA -0.190 53.784 54.000 -0.043 0.000 0.945 611 D CB 0.937 41.599 40.800 -0.230 0.000 1.137 611 D HN 0.197 nan 8.370 nan 0.000 0.464 612 V N -0.414 119.228 119.914 -0.453 0.000 2.715 612 V HA 0.616 4.735 4.120 -0.001 0.000 0.310 612 V C -1.145 174.666 176.094 -0.471 0.000 1.054 612 V CA -0.728 61.341 62.300 -0.386 0.000 0.928 612 V CB 1.100 32.691 31.823 -0.387 0.000 1.007 612 V HN 0.455 nan 8.190 nan 0.000 0.437 613 Y N 2.335 122.703 120.300 0.113 0.000 2.509 613 Y HA 0.576 5.126 4.550 -0.001 0.000 0.341 613 Y C 0.814 176.473 175.900 -0.401 0.000 1.038 613 Y CA -0.908 57.197 58.100 0.008 0.000 1.089 613 Y CB 1.792 40.312 38.460 0.101 0.000 1.241 613 Y HN 0.627 nan 8.280 nan 0.000 0.468 614 L N 1.602 122.371 121.223 -0.757 0.000 2.151 614 L HA -0.253 4.087 4.340 -0.001 0.000 0.215 614 L C 1.723 178.339 176.870 -0.424 0.000 1.084 614 L CA 2.070 56.094 54.840 -1.361 0.000 0.764 614 L CB -0.394 40.936 42.059 -1.216 0.000 0.891 614 L HN 0.822 nan 8.230 nan 0.000 0.435 615 Q N -1.211 118.463 119.800 -0.209 0.000 2.175 615 Q HA 0.316 4.656 4.340 -0.001 0.000 0.225 615 Q C 0.591 176.604 176.000 0.020 0.000 0.837 615 Q CA 0.349 56.168 55.803 0.027 0.000 1.032 615 Q CB -0.326 28.346 28.738 -0.110 0.000 1.137 615 Q HN 0.376 nan 8.270 nan 0.000 0.483 616 G N 2.047 110.983 108.800 0.227 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 -2.776 172.346 174.900 0.371 0.000 1.210 616 G CA -1.407 43.977 45.100 0.473 0.000 0.960 616 G HN 0.076 nan 8.290 nan 0.000 0.497 617 P HA 0.227 nan 4.420 nan 0.000 0.272 617 P C 0.459 177.804 177.300 0.075 0.000 1.223 617 P CA -0.239 62.905 63.100 0.074 0.000 0.784 617 P CB 1.133 32.871 31.700 0.065 0.000 0.923 618 I N -0.509 119.943 120.570 -0.196 0.000 2.726 618 I HA 0.167 4.336 4.170 -0.001 0.000 0.243 618 I C 0.728 177.082 176.117 0.395 0.000 1.082 618 I CA 0.636 61.888 61.300 -0.081 0.000 1.447 618 I CB -0.382 37.561 38.000 -0.095 0.000 1.250 618 I HN 0.436 nan 8.210 nan 0.000 0.453 619 W N 1.056 122.510 121.300 0.256 0.000 3.207 619 W HA 0.823 5.483 4.660 -0.001 0.000 0.326 619 W C -1.182 175.469 176.519 0.220 0.000 1.190 619 W CA -1.201 56.323 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 1.331 124.445 122.820 0.491 0.000 2.555 620 A HA 0.466 4.785 4.320 -0.001 0.000 0.297 620 A C -1.413 176.344 177.584 0.287 0.000 1.060 620 A CA -1.116 51.121 52.037 0.334 0.000 0.710 620 A CB 1.393 20.504 19.000 0.185 0.000 1.282 620 A HN 0.723 nan 8.150 nan 0.000 0.399 621 K N 2.298 122.823 120.400 0.208 0.000 2.412 621 K HA 0.388 4.708 4.320 -0.001 0.000 0.281 621 K C -0.656 175.911 176.600 -0.055 0.000 1.027 621 K CA -0.048 56.182 56.287 -0.094 0.000 0.989 621 K CB 0.146 32.403 32.500 -0.405 0.000 0.935 621 K HN 0.579 nan 8.250 nan 0.000 0.475 622 I N 7.758 128.243 120.570 -0.142 0.000 2.379 622 I HA 0.114 4.284 4.170 -0.001 0.000 0.290 622 I C -1.859 174.177 176.117 -0.134 0.000 1.063 622 I CA -2.285 58.921 61.300 -0.157 0.000 1.351 622 I CB 0.934 38.761 38.000 -0.289 0.000 1.410 622 I HN 0.521 nan 8.210 nan 0.000 0.505 623 P HA -0.111 nan 4.420 nan 0.000 0.262 623 P C -0.514 176.861 177.300 0.124 0.000 1.182 623 P CA 0.183 63.321 63.100 0.064 0.000 0.761 623 P CB 0.193 31.954 31.700 0.103 0.000 0.795 624 H N 2.473 121.565 119.070 0.036 0.000 3.216 624 H HA 0.238 4.794 4.556 -0.001 0.000 0.263 624 H C 0.273 175.655 175.328 0.090 0.000 1.601 624 H CA 0.085 56.169 56.048 0.060 0.000 1.509 624 H CB -0.506 29.260 29.762 0.007 0.000 1.759 624 H HN 0.333 nan 8.280 nan 0.000 0.533 625 T N -0.465 114.104 114.554 0.024 0.000 2.905 625 T HA 0.151 4.501 4.350 -0.001 0.000 0.283 625 T C 0.928 175.488 174.700 -0.234 0.000 1.031 625 T CA -0.938 61.128 62.100 -0.057 0.000 1.002 625 T CB 1.294 70.141 68.868 -0.035 0.000 1.200 625 T HN 0.228 nan 8.240 nan 0.000 0.560 626 D N 0.453 120.744 120.400 -0.183 0.000 2.224 626 D HA 0.193 4.833 4.640 -0.001 0.000 0.205 626 D C 0.917 177.033 176.300 -0.308 0.000 0.965 626 D CA 1.090 54.975 54.000 -0.191 0.000 0.852 626 D CB -0.218 40.524 40.800 -0.098 0.000 0.947 626 D HN 0.812 nan 8.370 nan 0.000 0.494 627 G N -0.718 107.832 108.800 -0.416 0.000 2.682 627 G HA2 0.536 4.495 3.960 -0.001 0.000 0.300 627 G HA3 0.536 4.495 3.960 -0.001 0.000 0.300 627 G C -1.109 173.446 174.900 -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 -0.678 174.753 175.328 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 0.103 120.156 119.950 0.172 0.000 2.376 629 F HA 0.174 4.701 4.527 -0.001 0.000 0.234 629 F C 0.506 176.449 175.800 0.240 0.000 1.010 629 F CA 0.374 58.474 58.000 0.166 0.000 1.100 629 F CB 0.438 39.512 39.000 0.123 0.000 1.360 629 F HN 0.474 nan 8.300 nan 0.000 0.649 630 H N 2.173 121.262 119.070 0.032 0.000 2.643 630 H HA 0.314 4.869 4.556 -0.001 0.000 0.259 630 H C -2.127 173.263 175.328 0.103 0.000 1.298 630 H CA -1.884 54.158 56.048 -0.011 0.000 1.301 630 H CB 0.769 30.638 29.762 0.178 0.000 1.422 630 H HN 0.081 nan 8.280 nan 0.000 0.521 631 P HA -0.055 nan 4.420 nan 0.000 0.279 631 P C 0.100 177.394 177.300 -0.009 0.000 1.451 631 P CA 0.286 63.365 63.100 -0.035 0.000 0.783 631 P CB -0.231 31.381 31.700 -0.146 0.000 1.490 632 S N 1.551 117.282 115.700 0.052 0.000 2.499 632 S HA 0.322 4.792 4.470 -0.001 0.000 0.275 632 S C -2.289 172.390 174.600 0.132 0.000 1.257 632 S CA -1.704 56.559 58.200 0.105 0.000 1.050 632 S CB -0.185 63.131 63.200 0.194 0.000 0.937 632 S HN -0.057 nan 8.310 nan 0.000 0.490 633 P HA 0.031 nan 4.420 nan 0.000 0.262 633 P C 0.595 177.967 177.300 0.121 0.000 1.182 633 P CA 0.129 63.298 63.100 0.116 0.000 0.761 633 P CB 0.337 32.112 31.700 0.126 0.000 0.795 634 L N 2.253 123.542 121.223 0.110 0.000 2.201 634 L HA -0.093 4.247 4.340 -0.001 0.000 0.212 634 L C 2.017 178.956 176.870 0.115 0.000 1.105 634 L CA 1.364 56.271 54.840 0.111 0.000 0.775 634 L CB -0.474 41.638 42.059 0.087 0.000 0.913 634 L HN 0.472 nan 8.230 nan 0.000 0.440 635 M N -0.521 119.144 119.600 0.109 0.000 2.659 635 M HA 0.152 4.631 4.480 -0.001 0.000 0.243 635 M C 0.813 177.205 176.300 0.153 0.000 1.111 635 M CA 0.493 55.864 55.300 0.118 0.000 1.070 635 M CB -0.191 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 -0.202 108.681 108.800 0.139 0.000 2.619 636 G HA2 0.278 4.238 3.960 -0.001 0.000 0.686 636 G HA3 0.278 4.238 3.960 -0.001 0.000 0.686 636 G C -0.274 174.684 174.900 0.097 0.000 1.256 636 G CA -0.575 44.600 45.100 0.125 0.000 0.826 636 G HN 0.777 nan 8.290 nan 0.000 0.619 637 G N -1.028 107.766 108.800 -0.010 0.000 2.428 637 G HA2 0.389 4.348 3.960 -0.001 0.000 0.202 637 G HA3 0.389 4.348 3.960 -0.001 0.000 0.202 637 G C -0.447 174.330 174.900 -0.205 0.000 1.247 637 G CA 0.055 45.090 45.100 -0.109 0.000 1.020 637 G HN 1.722 nan 8.290 nan 0.000 0.529 638 F N 1.825 121.933 119.950 0.263 0.000 2.411 638 F HA 0.586 5.113 4.527 -0.001 0.000 0.352 638 F C 1.099 177.036 175.800 0.228 0.000 1.123 638 F CA 0.167 58.303 58.000 0.225 0.000 1.044 638 F CB 2.067 41.212 39.000 0.242 0.000 1.135 638 F HN 0.734 nan 8.300 nan 0.000 0.461 639 G N 4.882 113.849 108.800 0.278 0.000 2.320 639 G HA2 0.611 4.570 3.960 -0.001 0.000 0.300 639 G HA3 0.611 4.570 3.960 -0.001 0.000 0.300 639 G C -1.016 173.955 174.900 0.119 0.000 1.126 639 G CA -0.515 44.687 45.100 0.170 0.000 0.896 639 G HN 0.570 nan 8.290 nan 0.000 0.436 640 L N 2.924 124.200 121.223 0.087 0.000 2.362 640 L HA 0.372 4.712 4.340 -0.001 0.000 0.275 640 L C 1.071 177.838 176.870 -0.171 0.000 0.998 640 L CA -1.115 53.725 54.840 0.001 0.000 0.820 640 L CB 2.336 44.423 42.059 0.046 0.000 1.270 640 L HN 0.434 nan 8.230 nan 0.000 0.415 641 K N 0.919 121.178 120.400 -0.235 0.000 2.057 641 K HA -0.030 4.289 4.320 -0.001 0.000 0.207 641 K C 0.279 176.380 176.600 -0.832 0.000 1.049 641 K CA 1.296 57.289 56.287 -0.491 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 0.264 119.166 119.070 -0.281 0.000 2.569 642 H HA 0.297 4.853 4.556 -0.001 0.000 0.247 642 H C -2.457 172.795 175.328 -0.126 0.000 1.346 642 H CA -2.122 53.702 56.048 -0.375 0.000 1.502 642 H CB 1.174 30.891 29.762 -0.075 0.000 1.512 642 H HN 0.029 nan 8.280 nan 0.000 0.502 643 P HA 0.155 nan 4.420 nan 0.000 0.276 643 P C -2.599 174.441 177.300 -0.434 0.000 1.261 643 P CA -1.878 61.046 63.100 -0.293 0.000 0.800 643 P CB 0.025 31.563 31.700 -0.270 0.000 1.066 644 P HA 0.022 nan 4.420 nan 0.000 0.258 644 P C -2.099 175.029 177.300 -0.286 0.000 1.172 644 P CA -0.268 62.110 63.100 -1.203 0.000 0.762 644 P CB -1.124 29.907 31.700 -1.116 0.000 0.764 645 P HA 0.030 nan 4.420 nan 0.000 0.272 645 P C -0.485 176.734 177.300 -0.134 0.000 1.240 645 P CA -0.036 63.016 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 0.632 120.329 119.800 -0.170 0.000 2.286 646 Q HA 0.331 4.671 4.340 -0.001 0.000 0.257 646 Q C -0.453 175.239 176.000 -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 3.039 123.340 120.570 -0.448 0.000 2.337 647 I HA 0.184 4.354 4.170 -0.001 0.000 0.285 647 I C -0.509 175.376 176.117 -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 38.257 38.000 -0.596 0.000 1.370 647 I HN 0.478 nan 8.210 nan 0.000 0.470 648 M N 6.588 125.762 119.600 -0.710 0.000 2.274 648 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 1.161 648 M CA -0.249 54.769 55.300 -0.470 0.000 1.126 648 M CB 1.204 33.172 32.600 -1.053 0.000 1.522 648 M HN 0.508 nan 8.290 nan 0.000 0.461 649 I N 3.119 123.838 120.570 0.250 0.000 2.722 649 I HA 0.683 4.853 4.170 -0.001 0.000 0.292 649 I C -1.831 174.285 176.117 -0.001 0.000 1.267 649 I CA -0.294 61.086 61.300 0.132 0.000 1.036 649 I CB 1.637 39.625 38.000 -0.019 0.000 1.281 649 I HN 0.679 nan 8.210 nan 0.000 0.423 650 K N 3.969 124.221 120.400 -0.246 0.000 2.578 650 K HA 0.558 4.878 4.320 -0.001 0.000 0.269 650 K C -1.905 174.520 176.600 -0.292 0.000 0.941 650 K CA -0.666 55.372 56.287 -0.415 0.000 0.847 650 K CB 0.706 32.583 32.500 -1.039 0.000 1.397 650 K HN 0.347 nan 8.250 nan 0.000 0.422 651 N N 1.302 119.905 118.700 -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 0.682 nan 8.380 nan 0.000 0.466 652 T N 3.653 118.124 114.554 -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 -0.699 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 -0.920 176.205 177.300 -0.291 0.000 1.195 653 P CA -0.131 62.464 63.100 -0.841 0.000 0.762 653 P CB 0.344 31.435 31.700 -1.016 0.000 0.799 654 V N 7.064 126.926 119.914 -0.086 0.000 2.304 654 V HA 0.265 4.385 4.120 -0.001 0.000 0.278 654 V C -2.106 174.160 176.094 0.287 0.000 1.018 654 V CA -2.101 60.250 62.300 0.084 0.000 0.814 654 V CB 1.348 33.206 31.823 0.058 0.000 1.021 654 V HN 0.460 nan 8.190 nan 0.000 0.440 655 P HA 0.211 nan 4.420 nan 0.000 0.266 655 P C 0.003 177.362 177.300 0.098 0.000 1.195 655 P CA 0.415 63.514 63.100 -0.001 0.000 0.768 655 P CB 0.773 32.170 31.700 -0.505 0.000 0.838 656 A N 3.114 126.039 122.820 0.174 0.000 2.450 656 A HA 0.250 4.570 4.320 -0.001 0.000 0.281 656 A C 0.107 177.788 177.584 0.162 0.000 1.372 656 A CA -0.667 51.457 52.037 0.145 0.000 0.886 656 A CB -0.331 18.738 19.000 0.116 0.000 1.462 656 A HN 0.591 nan 8.150 nan 0.000 0.514 657 N N 1.063 119.823 118.700 0.101 0.000 2.315 657 N HA 0.164 4.904 4.740 -0.001 0.000 0.270 657 N C -2.435 173.137 175.510 0.102 0.000 1.329 657 N CA -0.434 52.666 53.050 0.084 0.000 0.860 657 N CB 0.075 38.588 38.487 0.043 0.000 1.095 657 N HN 0.333 nan 8.380 nan 0.000 0.487 658 P HA 0.346 nan 4.420 nan 0.000 0.287 658 P C -2.539 174.797 177.300 0.060 0.000 1.270 658 P CA -1.310 61.877 63.100 0.145 0.000 0.844 658 P CB 0.410 32.248 31.700 0.229 0.000 1.068 659 P HA 0.179 nan 4.420 nan 0.000 0.275 659 P C 0.609 177.935 177.300 0.043 0.000 1.227 659 P CA -0.056 63.048 63.100 0.007 0.000 0.781 659 P CB 0.213 31.893 31.700 -0.034 0.000 0.906 660 T N -0.672 113.904 114.554 0.036 0.000 2.977 660 T HA -0.056 4.293 4.350 -0.001 0.000 0.271 660 T C 0.954 175.692 174.700 0.063 0.000 1.105 660 T CA 1.308 63.436 62.100 0.047 0.000 1.116 660 T CB -0.193 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 0.980 115.568 114.554 0.056 0.000 2.902 661 T HA 0.475 4.824 4.350 -0.001 0.000 0.283 661 T C -0.908 173.861 174.700 0.114 0.000 1.009 661 T CA -0.969 61.177 62.100 0.078 0.000 1.051 661 T CB 0.301 69.192 68.868 0.039 0.000 0.999 661 T HN 0.138 nan 8.240 nan 0.000 0.474 662 F N 4.621 124.578 119.950 0.011 0.000 2.506 662 F HA 0.489 5.016 4.527 -0.001 0.000 0.371 662 F C 0.298 176.104 175.800 0.010 0.000 1.078 662 F CA -0.319 57.692 58.000 0.018 0.000 1.195 662 F CB 0.356 39.369 39.000 0.022 0.000 1.099 662 F HN 0.399 nan 8.300 nan 0.000 0.548 663 S N 7.582 122.893 115.700 -0.649 0.000 2.498 663 S HA 0.503 4.972 4.470 -0.001 0.000 0.317 663 S C -1.684 172.410 174.600 -0.844 0.000 1.090 663 S CA -1.369 56.441 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 0.293 177.493 177.300 -0.166 0.000 1.153 664 P CA 0.256 63.116 63.100 -0.400 0.000 0.798 664 P CB -0.109 31.465 31.700 -0.210 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 -0.024 51.952 52.037 -0.101 0.000 0.756 665 A CB -0.418 18.507 19.000 -0.125 0.000 0.988 665 A HN 0.091 nan 8.150 nan 0.000 0.509 666 K N 0.835 121.237 120.400 0.003 0.000 2.524 666 K HA 0.013 4.333 4.320 -0.001 0.000 0.279 666 K C -0.729 175.904 176.600 0.057 0.000 0.993 666 K CA 0.254 56.585 56.287 0.074 0.000 1.030 666 K CB 0.041 32.596 32.500 0.091 0.000 0.891 666 K HN 0.485 nan 8.250 nan 0.000 0.488 667 F N 3.018 122.972 119.950 0.007 0.000 2.467 667 F HA 0.215 4.742 4.527 -0.001 0.000 0.362 667 F C 0.705 176.431 175.800 -0.123 0.000 1.090 667 F CA 0.605 58.550 58.000 -0.092 0.000 1.202 667 F CB 1.179 40.117 39.000 -0.104 0.000 1.113 667 F HN 0.667 nan 8.300 nan 0.000 0.541 668 A N 3.034 125.721 122.820 -0.221 0.000 2.474 668 A HA 0.156 4.475 4.320 -0.001 0.000 0.221 668 A C 0.511 177.981 177.584 -0.190 0.000 1.298 668 A CA 0.081 52.078 52.037 -0.067 0.000 1.008 668 A CB -0.074 18.915 19.000 -0.019 0.000 1.217 668 A HN 0.489 nan 8.150 nan 0.000 0.553 669 S N 0.721 116.180 115.700 -0.402 0.000 2.411 669 S HA 0.640 5.109 4.470 -0.001 0.000 0.304 669 S C -0.975 173.510 174.600 -0.191 0.000 1.098 669 S CA -0.252 57.820 58.200 -0.214 0.000 1.068 669 S CB -0.619 62.450 63.200 -0.220 0.000 1.032 669 S HN 0.201 nan 8.310 nan 0.000 0.511 670 F N 3.368 123.455 119.950 0.228 0.000 2.579 670 F HA 0.554 5.081 4.527 -0.001 0.000 0.324 670 F C 0.420 176.308 175.800 0.148 0.000 1.058 670 F CA -1.194 56.932 58.000 0.210 0.000 0.944 670 F CB 1.306 40.460 39.000 0.257 0.000 1.245 670 F HN 0.296 nan 8.300 nan 0.000 0.477 671 I N 1.793 122.569 120.570 0.343 0.000 2.416 671 I HA 0.117 4.286 4.170 -0.001 0.000 0.288 671 I C 0.291 176.530 176.117 0.203 0.000 1.051 671 I CA -0.391 61.035 61.300 0.209 0.000 1.375 671 I CB 0.920 39.009 38.000 0.149 0.000 1.407 671 I HN 0.593 nan 8.210 nan 0.000 0.516 672 T N 4.398 119.041 114.554 0.149 0.000 2.834 672 T HA 0.406 4.756 4.350 -0.001 0.000 0.298 672 T C -0.367 174.400 174.700 0.111 0.000 0.966 672 T CA -0.601 61.567 62.100 0.114 0.000 1.141 672 T CB 0.910 69.823 68.868 0.074 0.000 0.905 672 T HN 0.745 nan 8.240 nan 0.000 0.535 673 Q N 2.049 121.917 119.800 0.112 0.000 2.527 673 Q HA 0.540 4.879 4.340 -0.001 0.000 0.280 673 Q C -1.709 174.381 176.000 0.150 0.000 0.977 673 Q CA -1.346 54.531 55.803 0.124 0.000 0.837 673 Q CB 1.232 30.002 28.738 0.052 0.000 1.454 673 Q HN 0.868 nan 8.270 nan 0.000 0.387 674 Y N -1.019 119.262 120.300 -0.033 0.000 2.633 674 Y HA 0.890 5.440 4.550 -0.001 0.000 0.339 674 Y C -0.790 175.100 175.900 -0.017 0.000 1.045 674 Y CA -0.718 57.356 58.100 -0.042 0.000 1.098 674 Y CB 1.978 40.396 38.460 -0.071 0.000 1.296 674 Y HN 0.872 nan 8.280 nan 0.000 0.494 675 S N 0.342 116.022 115.700 -0.032 0.000 2.599 675 S HA 0.814 5.283 4.470 -0.001 0.000 0.294 675 S C -0.875 173.667 174.600 -0.097 0.000 1.094 675 S CA -0.450 57.693 58.200 -0.096 0.000 0.931 675 S CB 1.853 65.131 63.200 0.131 0.000 1.093 675 S HN 1.114 nan 8.310 nan 0.000 0.488 676 T N -0.318 113.993 114.554 -0.406 0.000 2.932 676 T HA 0.761 5.111 4.350 -0.001 0.000 0.318 676 T C -0.326 173.673 174.700 -1.169 0.000 1.265 676 T CA 0.236 61.831 62.100 -0.842 0.000 1.036 676 T CB 1.030 69.638 68.868 -0.432 0.000 1.209 676 T HN 1.687 nan 8.240 nan 0.000 0.484 677 G N 2.126 109.772 108.800 -1.923 0.000 2.489 677 G HA2 0.552 4.512 3.960 -0.001 0.000 0.305 677 G HA3 0.552 4.512 3.960 -0.001 0.000 0.305 677 G C -1.987 172.222 174.900 -1.151 0.000 1.311 677 G CA -0.667 43.729 45.100 -1.174 0.000 0.813 677 G HN 0.747 nan 8.290 nan 0.000 0.480 678 Q N -1.274 118.184 119.800 -0.570 0.000 2.215 678 Q HA 0.734 5.073 4.340 -0.001 0.000 0.256 678 Q C -0.588 175.217 176.000 -0.325 0.000 0.972 678 Q CA -0.707 54.811 55.803 -0.475 0.000 0.889 678 Q CB 2.399 30.732 28.738 -0.675 0.000 1.281 678 Q HN 0.786 nan 8.270 nan 0.000 0.456 679 V N 0.287 120.139 119.914 -0.103 0.000 2.709 679 V HA 0.799 4.918 4.120 -0.001 0.000 0.308 679 V C -1.414 174.588 176.094 -0.153 0.000 1.062 679 V CA -0.290 61.911 62.300 -0.164 0.000 0.901 679 V CB 2.269 34.100 31.823 0.014 0.000 1.003 679 V HN 0.696 nan 8.190 nan 0.000 0.425 680 S N 4.141 119.756 115.700 -0.141 0.000 2.526 680 S HA 0.878 5.347 4.470 -0.001 0.000 0.293 680 S C -1.416 173.051 174.600 -0.222 0.000 1.092 680 S CA -0.469 57.676 58.200 -0.092 0.000 0.980 680 S CB 1.710 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 0.476 4.596 4.120 -0.001 0.000 0.297 681 V C -0.495 175.549 176.094 -0.083 0.000 1.035 681 V CA -0.663 61.538 62.300 -0.165 0.000 0.867 681 V CB 1.589 33.209 31.823 -0.337 0.000 1.004 681 V HN 0.897 nan 8.190 nan 0.000 0.426 682 E N 5.349 125.502 120.200 -0.080 0.000 2.145 682 E HA 0.664 5.013 4.350 -0.001 0.000 0.270 682 E C -1.456 175.092 176.600 -0.087 0.000 0.906 682 E CA -0.508 55.848 56.400 -0.074 0.000 0.761 682 E CB 1.460 31.098 29.700 -0.104 0.000 1.116 682 E HN 0.659 nan 8.360 nan 0.000 0.408 683 I N 3.394 123.901 120.570 -0.104 0.000 2.509 683 I HA 0.284 4.454 4.170 -0.001 0.000 0.293 683 I C -0.238 175.670 176.117 -0.348 0.000 1.020 683 I CA -0.818 60.319 61.300 -0.271 0.000 1.088 683 I CB 2.082 39.810 38.000 -0.453 0.000 1.267 683 I HN 0.538 nan 8.210 nan 0.000 0.430 684 E N 5.385 125.330 120.200 -0.425 0.000 2.175 684 E HA 0.353 4.703 4.350 -0.001 0.000 0.278 684 E C -1.946 174.384 176.600 -0.450 0.000 0.969 684 E CA -0.615 55.609 56.400 -0.293 0.000 0.796 684 E CB 1.201 30.799 29.700 -0.169 0.000 1.104 684 E HN 0.393 nan 8.360 nan 0.000 0.395 685 W N 2.881 124.137 121.300 -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 0.005 0.000 1.222 685 W CB 1.207 30.728 29.460 0.101 0.000 1.381 685 W HN 0.462 nan 8.180 nan 0.000 0.483 686 E N 3.350 123.730 120.200 0.300 0.000 2.227 686 E HA 0.463 4.813 4.350 -0.001 0.000 0.282 686 E C -0.987 175.959 176.600 0.577 0.000 1.015 686 E CA -0.399 56.202 56.400 0.335 0.000 0.823 686 E CB 0.772 30.610 29.700 0.230 0.000 1.081 686 E HN 0.458 nan 8.360 nan 0.000 0.396 687 L N 3.679 125.179 121.223 0.463 0.000 2.325 687 L HA 0.361 4.700 4.340 -0.001 0.000 0.278 687 L C -0.062 176.919 176.870 0.185 0.000 1.023 687 L CA -0.742 54.344 54.840 0.410 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 3.219 122.994 119.800 -0.041 0.000 2.368 688 Q HA 0.226 4.566 4.340 -0.001 0.000 0.256 688 Q C -0.817 175.113 176.000 -0.116 0.000 0.980 688 Q CA -0.779 54.824 55.803 -0.332 0.000 0.887 688 Q CB 1.114 29.414 28.738 -0.730 0.000 1.221 688 Q HN 0.341 nan 8.270 nan 0.000 0.458 689 K N 2.328 122.635 120.400 -0.155 0.000 2.258 689 K HA 0.064 4.384 4.320 -0.001 0.000 0.264 689 K C -0.159 176.146 176.600 -0.492 0.000 1.007 689 K CA -0.087 56.070 56.287 -0.216 0.000 0.941 689 K CB 0.925 33.319 32.500 -0.176 0.000 0.966 689 K HN 0.674 nan 8.250 nan 0.000 0.480 690 E N 2.221 122.038 120.200 -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 55.606 56.400 -1.314 0.000 0.871 690 E CB 0.446 29.572 29.700 -0.957 0.000 1.022 690 E HN 0.411 nan 8.360 nan 0.000 0.418 691 N N 2.984 120.983 118.700 -1.169 0.000 2.750 691 N HA 0.100 4.839 4.740 -0.001 0.000 0.253 691 N C -1.922 173.468 175.510 -0.199 0.000 1.408 691 N CA -0.282 52.483 53.050 -0.476 0.000 0.780 691 N CB 0.962 39.278 38.487 -0.285 0.000 1.191 691 N HN 0.203 nan 8.380 nan 0.000 0.511 692 S N 1.037 116.646 115.700 -0.153 0.000 2.503 692 S HA 0.462 4.931 4.470 -0.001 0.000 0.301 692 S C 0.176 174.804 174.600 0.048 0.000 1.087 692 S CA -0.590 57.658 58.200 0.081 0.000 1.042 692 S CB 0.700 64.027 63.200 0.210 0.000 1.043 692 S HN 0.302 nan 8.310 nan 0.000 0.489 693 K N 2.153 122.608 120.400 0.092 0.000 2.440 693 K HA 0.150 4.470 4.320 -0.001 0.000 0.206 693 K C 0.269 176.952 176.600 0.137 0.000 1.025 693 K CA -0.249 56.095 56.287 0.095 0.000 1.135 693 K CB -0.065 32.490 32.500 0.092 0.000 0.856 693 K HN 0.548 nan 8.250 nan 0.000 0.502 694 R N 0.987 121.568 120.500 0.135 0.000 2.502 694 R HA -0.110 4.230 4.340 -0.001 0.000 0.292 694 R C 1.070 177.471 176.300 0.168 0.000 0.998 694 R CA 0.248 56.440 56.100 0.154 0.000 1.056 694 R CB 0.038 30.421 30.300 0.138 0.000 0.939 694 R HN 0.287 nan 8.270 nan 0.000 0.411 695 W N 5.812 127.131 121.300 0.031 0.000 2.441 695 W HA -0.076 4.584 4.660 -0.001 0.000 0.302 695 W C -0.254 176.278 176.519 0.022 0.000 1.191 695 W CA 0.951 58.309 57.345 0.021 0.000 1.327 695 W CB -0.115 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 1.950 120.764 118.700 0.190 0.000 2.503 696 N HA 0.146 4.886 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 -1.296 51.804 53.050 0.084 0.000 0.959 696 N CB -0.393 38.190 38.487 0.160 0.000 1.142 696 N HN -0.133 nan 8.380 nan 0.000 0.455 697 P HA 0.059 nan 4.420 nan 0.000 0.267 697 P C -0.243 177.078 177.300 0.035 0.000 1.200 697 P CA 0.315 63.408 63.100 -0.010 0.000 0.772 697 P CB 0.549 32.241 31.700 -0.014 0.000 0.855 698 E N 1.217 121.447 120.200 0.050 0.000 2.254 698 E HA 0.381 4.731 4.350 -0.001 0.000 0.261 698 E C 0.236 176.892 176.600 0.094 0.000 1.051 698 E CA -1.055 55.396 56.400 0.084 0.000 0.902 698 E CB 0.919 30.690 29.700 0.117 0.000 1.168 698 E HN 0.440 nan 8.360 nan 0.000 0.423 699 I N -0.957 119.681 120.570 0.113 0.000 2.529 699 I HA 0.155 4.325 4.170 -0.001 0.000 0.284 699 I C -0.348 175.927 176.117 0.264 0.000 1.082 699 I CA -0.366 61.019 61.300 0.142 0.000 1.406 699 I CB 0.537 38.593 38.000 0.095 0.000 1.405 699 I HN 0.181 nan 8.210 nan 0.000 0.548 700 Q N 4.867 124.826 119.800 0.265 0.000 2.387 700 Q HA 0.307 4.646 4.340 -0.001 0.000 0.273 700 Q C -1.343 174.842 176.000 0.309 0.000 1.089 700 Q CA -0.807 55.158 55.803 0.270 0.000 0.824 700 Q CB 2.671 31.472 28.738 0.106 0.000 1.367 700 Q HN 0.796 nan 8.270 nan 0.000 0.443 701 Y N 0.831 121.084 120.300 -0.078 0.000 2.346 701 Y HA 0.301 4.850 4.550 -0.001 0.000 0.330 701 Y C -0.117 175.787 175.900 0.007 0.000 1.178 701 Y CA 0.849 58.907 58.100 -0.069 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 3.607 117.796 114.554 -0.609 0.000 2.840 702 T HA 0.443 4.793 4.350 -0.001 0.000 0.317 702 T C -1.224 173.236 174.700 -0.399 0.000 1.401 702 T CA -0.746 61.178 62.100 -0.293 0.000 1.028 702 T CB 0.843 69.658 68.868 -0.088 0.000 1.317 702 T HN 0.625 nan 8.240 nan 0.000 0.495 703 S N 1.861 117.508 115.700 -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 -0.698 57.503 58.200 0.002 0.000 1.010 703 S CB 0.282 63.549 63.200 0.112 0.000 0.965 703 S HN 0.731 nan 8.310 nan 0.000 0.534 704 N N 1.719 120.435 118.700 0.027 0.000 2.416 704 N HA 0.072 4.811 4.740 -0.001 0.000 0.265 704 N C 0.610 176.131 175.510 0.018 0.000 1.195 704 N CA -0.154 52.902 53.050 0.011 0.000 0.943 704 N CB 0.182 38.636 38.487 -0.056 0.000 1.115 704 N HN 0.738 nan 8.380 nan 0.000 0.481 705 Y N 1.012 121.312 120.300 -0.000 0.000 2.574 705 Y HA 0.049 4.599 4.550 -0.001 0.000 0.294 705 Y C 0.064 175.968 175.900 0.007 0.000 1.142 705 Y CA -0.405 57.698 58.100 0.006 0.000 1.314 705 Y CB -0.235 38.227 38.460 0.003 0.000 0.991 705 Y HN 0.314 nan 8.280 nan 0.000 0.555 706 N N 2.824 121.155 118.700 -0.616 0.000 2.441 706 N HA -0.065 4.675 4.740 -0.001 0.000 0.251 706 N C -0.365 175.025 175.510 -0.200 0.000 1.242 706 N CA 0.001 52.748 53.050 -0.505 0.000 0.898 706 N CB 0.557 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 0.873 121.190 120.400 -0.139 0.000 2.437 707 K HA -0.035 4.285 4.320 -0.001 0.000 0.277 707 K C -0.223 176.337 176.600 -0.067 0.000 1.073 707 K CA 0.419 56.665 56.287 -0.069 0.000 1.105 707 K CB 0.170 32.640 32.500 -0.048 0.000 0.881 707 K HN 0.441 nan 8.250 nan 0.000 0.475 708 S N 2.745 118.418 115.700 -0.046 0.000 2.634 708 S HA 0.351 4.821 4.470 -0.001 0.000 0.296 708 S C 0.860 175.443 174.600 -0.030 0.000 1.104 708 S CA -1.044 57.130 58.200 -0.042 0.000 0.920 708 S CB 1.569 64.746 63.200 -0.039 0.000 1.111 708 S HN 0.359 nan 8.310 nan 0.000 0.493 709 V N 2.708 122.602 119.914 -0.033 0.000 2.238 709 V HA 0.022 4.141 4.120 -0.001 0.000 0.235 709 V C 0.720 176.798 176.094 -0.026 0.000 1.037 709 V CA 1.387 63.669 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 -0.746 117.934 118.700 -0.034 0.000 2.466 710 N HA 0.479 5.218 4.740 -0.001 0.000 0.294 710 N C -1.031 174.465 175.510 -0.023 0.000 1.129 710 N CA -0.613 52.417 53.050 -0.033 0.000 0.931 710 N CB 2.061 40.514 38.487 -0.056 0.000 1.193 710 N HN 0.079 nan 8.380 nan 0.000 0.500 711 V N 1.394 121.307 119.914 -0.003 0.000 2.583 711 V HA 0.042 4.161 4.120 -0.001 0.000 0.287 711 V C -0.070 176.041 176.094 0.028 0.000 1.051 711 V CA -0.398 61.921 62.300 0.030 0.000 1.010 711 V CB 0.826 32.687 31.823 0.062 0.000 0.988 711 V HN 0.610 nan 8.190 nan 0.000 0.478 712 D N 4.252 124.693 120.400 0.068 0.000 2.493 712 D HA 0.184 4.824 4.640 -0.001 0.000 0.240 712 D C 0.108 176.542 176.300 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 40.877 40.800 0.211 0.000 1.173 712 D HN 0.476 nan 8.370 nan 0.000 0.467 713 F N -0.150 119.762 119.950 -0.064 0.000 2.781 713 F HA -0.263 4.264 4.527 -0.001 0.000 0.350 713 F C 0.320 176.148 175.800 0.046 0.000 1.048 713 F CA 0.342 58.287 58.000 -0.092 0.000 1.134 713 F CB -1.766 37.296 39.000 0.104 0.000 1.440 713 F HN 0.163 nan 8.300 nan 0.000 0.799 714 T N -0.838 113.680 114.554 -0.060 0.000 2.792 714 T HA 0.686 5.036 4.350 -0.001 0.000 0.303 714 T C -0.182 174.470 174.700 -0.081 0.000 1.310 714 T CA -0.427 61.715 62.100 0.070 0.000 1.007 714 T CB 2.146 71.050 68.868 0.060 0.000 1.335 714 T HN 0.363 nan 8.240 nan 0.000 0.504 715 V N 0.383 120.254 119.914 -0.071 0.000 2.953 715 V HA 0.706 4.826 4.120 -0.001 0.000 0.304 715 V C 0.037 176.083 176.094 -0.080 0.000 1.073 715 V CA -0.632 61.592 62.300 -0.128 0.000 1.064 715 V CB 0.649 32.371 31.823 -0.168 0.000 1.047 715 V HN 0.990 nan 8.190 nan 0.000 0.478 716 D N 0.992 121.346 120.400 -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 0.255 54.221 54.000 -0.058 0.000 1.087 716 D CB -0.006 40.754 40.800 -0.067 0.000 1.186 716 D HN 0.671 nan 8.370 nan 0.000 0.620 717 T N -2.145 112.391 114.554 -0.030 0.000 2.737 717 T HA -0.243 4.106 4.350 -0.001 0.000 0.269 717 T C 0.827 175.518 174.700 -0.016 0.000 1.040 717 T CA 1.668 63.756 62.100 -0.019 0.000 1.142 717 T CB -0.977 67.879 68.868 -0.019 0.000 0.861 717 T HN 0.605 nan 8.240 nan 0.000 0.456 718 N N 0.863 119.551 118.700 -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 -0.084 52.958 53.050 -0.013 0.000 0.878 718 N CB 0.081 38.560 38.487 -0.013 0.000 1.138 718 N HN 0.577 nan 8.380 nan 0.000 0.509 719 G N 0.020 108.808 108.800 -0.019 0.000 2.381 719 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.281 719 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.281 719 G C -0.760 174.123 174.900 -0.028 0.000 0.984 719 G CA 0.132 45.219 45.100 -0.021 0.000 1.339 719 G HN 0.355 nan 8.290 nan 0.000 0.485 720 V N 2.856 122.737 119.914 -0.054 0.000 2.532 720 V HA 0.365 4.485 4.120 -0.001 0.000 0.294 720 V C -0.040 176.004 176.094 -0.084 0.000 1.036 720 V CA -1.329 60.943 62.300 -0.047 0.000 0.876 720 V CB 1.515 33.315 31.823 -0.040 0.000 1.012 720 V HN 0.609 nan 8.190 nan 0.000 0.432 721 Y N 4.511 124.668 120.300 -0.238 0.000 2.511 721 Y HA 0.491 5.041 4.550 -0.001 0.000 0.332 721 Y C 0.687 176.487 175.900 -0.165 0.000 1.177 721 Y CA 0.310 58.233 58.100 -0.294 0.000 1.422 721 Y CB 1.057 39.276 38.460 -0.401 0.000 1.271 721 Y HN 0.734 nan 8.280 nan 0.000 0.550 722 S N 4.398 119.588 115.700 -0.850 0.000 2.572 722 S HA 0.441 4.911 4.470 -0.001 0.000 0.274 722 S C -1.600 172.500 174.600 -0.834 0.000 1.150 722 S CA -1.190 56.627 58.200 -0.640 0.000 0.944 722 S CB 1.370 64.344 63.200 -0.376 0.000 1.071 722 S HN 0.683 nan 8.310 nan 0.000 0.479 723 E N 2.999 122.813 120.200 -0.643 0.000 2.130 723 E HA 0.255 4.604 4.350 -0.001 0.000 0.284 723 E C -1.905 174.290 176.600 -0.675 0.000 1.018 723 E CA -2.087 53.871 56.400 -0.737 0.000 0.817 723 E CB 0.733 30.280 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 1.322 64.121 63.100 -0.501 0.000 0.879 724 P CB 0.227 31.633 31.700 -0.490 0.000 0.786 725 R N -2.019 118.362 120.500 -0.198 0.000 2.808 725 R HA 0.589 4.928 4.340 -0.001 0.000 0.272 725 R C -3.217 173.133 176.300 0.083 0.000 0.995 725 R CA -2.368 53.735 56.100 0.005 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 -0.596 176.832 177.300 0.214 0.000 1.216 726 P CA -0.259 62.868 63.100 0.044 0.000 0.771 726 P CB 0.482 32.177 31.700 -0.008 0.000 0.864 727 I N 2.688 123.406 120.570 0.246 0.000 2.339 727 I HA 0.310 4.479 4.170 -0.001 0.000 0.290 727 I C 1.272 177.746 176.117 0.595 0.000 0.994 727 I CA -0.265 61.242 61.300 0.345 0.000 1.191 727 I CB 0.854 38.908 38.000 0.091 0.000 1.343 727 I HN 0.415 nan 8.210 nan 0.000 0.458 728 G N 3.629 112.814 108.800 0.641 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 0.302 45.683 45.100 0.469 0.000 1.060 728 G HN 0.572 nan 8.290 nan 0.000 0.543 729 T N -1.615 113.092 114.554 0.256 0.000 3.073 729 T HA 0.170 4.520 4.350 -0.001 0.000 0.264 729 T C 0.796 175.636 174.700 0.232 0.000 0.893 729 T CA -0.283 61.915 62.100 0.162 0.000 0.863 729 T CB 0.108 69.038 68.868 0.104 0.000 1.247 729 T HN 0.320 nan 8.240 nan 0.000 0.546 730 R N 1.288 121.914 120.500 0.209 0.000 2.825 730 R HA 0.341 4.681 4.340 -0.001 0.000 0.261 730 R C -0.347 176.005 176.300 0.087 0.000 1.341 730 R CA -0.168 55.978 56.100 0.077 0.000 1.353 730 R CB 0.200 30.444 30.300 -0.094 0.000 1.191 730 R HN 0.337 nan 8.270 nan 0.000 0.590 731 Y N 0.218 120.544 120.300 0.044 0.000 2.559 731 Y HA 0.181 4.731 4.550 -0.001 0.000 0.279 731 Y C 0.953 176.904 175.900 0.084 0.000 1.117 731 Y CA 0.020 58.164 58.100 0.073 0.000 1.263 731 Y CB 0.582 39.097 38.460 0.092 0.000 1.230 731 Y HN 0.210 nan 8.280 nan 0.000 0.528 732 L N 0.843 122.230 121.223 0.275 0.000 2.439 732 L HA 0.319 4.659 4.340 -0.001 0.000 0.261 732 L C 0.444 177.389 176.870 0.125 0.000 1.153 732 L CA -0.397 54.615 54.840 0.286 0.000 0.808 732 L CB 0.913 43.295 42.059 0.538 0.000 1.126 732 L HN 0.082 nan 8.230 nan 0.000 0.460 733 T N -0.028 114.593 114.554 0.112 0.000 2.829 733 T HA 0.552 4.902 4.350 -0.001 0.000 0.280 733 T C -0.513 174.070 174.700 -0.195 0.000 0.999 733 T CA -0.898 61.182 62.100 -0.032 0.000 0.983 733 T CB 2.207 71.103 68.868 0.048 0.000 0.968 733 T HN 0.643 nan 8.240 nan 0.000 0.446 734 R N 2.080 122.382 120.500 -0.330 0.000 2.854 734 R HA 0.511 4.850 4.340 -0.001 0.000 0.271 734 R C -0.882 175.372 176.300 -0.077 0.000 0.994 734 R CA -0.699 55.160 56.100 -0.402 0.000 0.945 734 R CB 1.396 31.072 30.300 -1.041 0.000 1.194 734 R HN 0.761 nan 8.270 nan 0.000 0.476 735 N N 1.034 119.726 118.700 -0.013 0.000 2.463 735 N HA 0.283 5.023 4.740 -0.001 0.000 0.270 735 N C -0.135 175.439 175.510 0.107 0.000 1.205 735 N CA -0.391 52.698 53.050 0.066 0.000 0.974 735 N CB 0.574 39.089 38.487 0.047 0.000 1.197 735 N HN 0.364 nan 8.380 nan 0.000 0.504 736 L N 0.000 121.254 121.223 0.052 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