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_D 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 2.532 125.373 122.820 0.035 0.000 2.446 218 A HA 0.826 5.145 4.320 -0.001 0.000 0.282 218 A C -0.997 176.607 177.584 0.032 0.000 1.102 218 A CA -0.575 51.485 52.037 0.040 0.000 0.737 218 A CB 1.692 20.714 19.000 0.035 0.000 1.212 218 A HN 0.448 nan 8.150 nan 0.000 0.434 219 D N 0.602 121.025 120.400 0.038 0.000 2.808 219 D HA 0.703 5.342 4.640 -0.001 0.000 0.249 219 D C 0.698 177.017 176.300 0.031 0.000 1.151 219 D CA 0.219 54.238 54.000 0.031 0.000 1.089 219 D CB 1.419 42.238 40.800 0.032 0.000 1.295 219 D HN 0.670 nan 8.370 nan 0.000 0.631 220 G N -0.747 108.069 108.800 0.027 0.000 2.642 220 G HA2 0.433 4.392 3.960 -0.001 0.000 0.291 220 G HA3 0.433 4.392 3.960 -0.001 0.000 0.291 220 G C 0.882 175.796 174.900 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 0.547 120.472 119.914 0.018 0.000 2.255 221 V HA 0.034 4.153 4.120 -0.001 0.000 0.243 221 V C 2.526 178.628 176.094 0.013 0.000 1.038 221 V CA 2.117 64.426 62.300 0.015 0.000 1.008 221 V CB -0.647 31.181 31.823 0.009 0.000 0.645 221 V HN 0.760 nan 8.190 nan 0.000 0.449 222 G N 0.750 109.557 108.800 0.011 0.000 3.474 222 G HA2 0.148 4.107 3.960 -0.001 0.000 0.269 222 G HA3 0.148 4.107 3.960 -0.001 0.000 0.269 222 G C -0.030 174.879 174.900 0.014 0.000 1.339 222 G CA 0.020 45.126 45.100 0.010 0.000 1.258 222 G HN 0.471 nan 8.290 nan 0.000 0.560 223 N N -0.014 118.699 118.700 0.020 0.000 2.500 223 N HA 0.266 5.006 4.740 -0.001 0.000 0.291 223 N C -0.056 175.476 175.510 0.038 0.000 1.092 223 N CA -0.524 52.541 53.050 0.025 0.000 0.890 223 N CB 1.403 39.903 38.487 0.022 0.000 1.466 223 N HN 0.035 nan 8.380 nan 0.000 0.507 224 S N 1.542 117.268 115.700 0.043 0.000 2.549 224 S HA 0.084 4.554 4.470 -0.001 0.000 0.286 224 S C 0.836 175.481 174.600 0.075 0.000 1.314 224 S CA -0.224 58.018 58.200 0.070 0.000 1.062 224 S CB 0.665 63.910 63.200 0.075 0.000 0.865 224 S HN 0.612 nan 8.310 nan 0.000 0.498 225 S N 1.110 116.882 115.700 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 -0.695 62.598 63.200 0.155 0.000 0.778 225 S HN 1.543 nan 8.310 nan 0.000 0.459 226 G N 0.360 109.169 108.800 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 -1.900 172.900 174.900 -0.166 0.000 1.435 226 G CA -1.072 43.852 45.100 -0.293 0.000 0.865 226 G HN 0.281 nan 8.290 nan 0.000 0.601 227 N N -1.028 117.486 118.700 -0.311 0.000 2.545 227 N HA 0.466 5.206 4.740 -0.001 0.000 0.289 227 N C -1.011 174.405 175.510 -0.158 0.000 1.279 227 N CA -0.849 52.094 53.050 -0.179 0.000 0.824 227 N CB 2.209 40.519 38.487 -0.295 0.000 1.395 227 N HN 0.532 nan 8.380 nan 0.000 0.526 228 W N 2.576 123.724 121.300 -0.253 0.000 2.367 228 W HA 0.190 4.850 4.660 -0.001 0.000 0.329 228 W C -1.056 175.293 176.519 -0.284 0.000 1.066 228 W CA 0.024 57.294 57.345 -0.126 0.000 1.435 228 W CB -0.086 29.345 29.460 -0.049 0.000 1.296 228 W HN 0.479 nan 8.180 nan 0.000 0.401 229 H N 5.320 124.295 119.070 -0.158 0.000 2.700 229 H HA 0.180 4.736 4.556 -0.001 0.000 0.269 229 H C -0.206 174.996 175.328 -0.211 0.000 1.222 229 H CA -0.216 55.762 56.048 -0.117 0.000 1.254 229 H CB 0.969 30.655 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 -0.541 174.503 174.990 0.090 0.000 1.093 230 C CA -0.277 58.747 59.018 0.009 0.000 1.463 230 C CB -0.711 27.091 27.740 0.102 0.000 1.926 230 C HN 0.873 nan 8.230 nan 0.000 0.420 231 D N 1.918 122.346 120.400 0.046 0.000 2.665 231 D HA 0.712 5.352 4.640 -0.001 0.000 0.287 231 D C -1.289 175.013 176.300 0.002 0.000 1.266 231 D CA 0.179 54.208 54.000 0.048 0.000 0.830 231 D CB 2.294 43.134 40.800 0.066 0.000 1.356 231 D HN 0.594 nan 8.370 nan 0.000 0.437 232 S N 0.504 116.207 115.700 0.005 0.000 2.562 232 S HA 0.703 5.173 4.470 -0.001 0.000 0.274 232 S C -1.863 172.721 174.600 -0.026 0.000 1.160 232 S CA -0.810 57.348 58.200 -0.069 0.000 0.933 232 S CB 1.561 64.692 63.200 -0.115 0.000 1.100 232 S HN 0.423 nan 8.310 nan 0.000 0.468 233 Q N 1.420 121.160 119.800 -0.100 0.000 2.416 233 Q HA 0.746 5.085 4.340 -0.001 0.000 0.281 233 Q C -1.866 174.084 176.000 -0.082 0.000 1.067 233 Q CA -0.502 55.317 55.803 0.027 0.000 0.809 233 Q CB 0.484 29.266 28.738 0.073 0.000 1.418 233 Q HN 0.743 nan 8.270 nan 0.000 0.411 234 W N 1.423 122.742 121.300 0.031 0.000 2.512 234 W HA 0.578 5.237 4.660 -0.001 0.000 0.335 234 W C -0.061 176.475 176.519 0.028 0.000 1.088 234 W CA -0.777 56.590 57.345 0.035 0.000 1.236 234 W CB 1.011 30.486 29.460 0.025 0.000 1.307 234 W HN 0.487 nan 8.180 nan 0.000 0.567 235 L N 3.301 124.665 121.223 0.235 0.000 3.122 235 L HA 0.244 4.584 4.340 -0.001 0.000 0.274 235 L C 1.624 178.578 176.870 0.139 0.000 1.222 235 L CA 0.718 55.645 54.840 0.145 0.000 1.028 235 L CB -0.672 41.438 42.059 0.086 0.000 1.386 235 L HN 0.999 nan 8.230 nan 0.000 0.578 236 G N 1.047 109.962 108.800 0.192 0.000 2.451 236 G HA2 -0.434 3.526 3.960 -0.001 0.000 0.253 236 G HA3 -0.434 3.526 3.960 -0.001 0.000 0.253 236 G C 0.940 175.910 174.900 0.116 0.000 1.033 236 G CA 1.108 46.285 45.100 0.129 0.000 0.633 236 G HN 0.396 nan 8.290 nan 0.000 0.537 237 D N 0.025 120.496 120.400 0.118 0.000 2.449 237 D HA 0.225 4.865 4.640 -0.001 0.000 0.210 237 D C 1.100 177.490 176.300 0.150 0.000 1.094 237 D CA 0.939 55.005 54.000 0.110 0.000 0.846 237 D CB 0.248 41.094 40.800 0.077 0.000 1.003 237 D HN 0.849 nan 8.370 nan 0.000 0.504 238 R N -1.606 118.989 120.500 0.159 0.000 2.741 238 R HA 0.573 4.913 4.340 -0.001 0.000 0.276 238 R C -2.039 174.322 176.300 0.102 0.000 1.028 238 R CA -0.993 55.201 56.100 0.156 0.000 0.865 238 R CB 1.044 31.410 30.300 0.110 0.000 1.268 238 R HN -0.121 nan 8.270 nan 0.000 0.475 239 V N 1.663 121.600 119.914 0.037 0.000 2.760 239 V HA 0.594 4.714 4.120 -0.001 0.000 0.309 239 V C -1.602 174.442 176.094 -0.084 0.000 1.077 239 V CA -0.868 61.300 62.300 -0.220 0.000 0.910 239 V CB 1.939 33.318 31.823 -0.741 0.000 1.008 239 V HN 0.678 nan 8.190 nan 0.000 0.424 240 I N 5.716 126.188 120.570 -0.164 0.000 2.362 240 I HA 0.538 4.708 4.170 -0.001 0.000 0.289 240 I C 0.406 176.441 176.117 -0.137 0.000 0.994 240 I CA 0.016 61.265 61.300 -0.085 0.000 1.158 240 I CB 2.055 40.006 38.000 -0.082 0.000 1.315 240 I HN 0.792 nan 8.210 nan 0.000 0.451 241 T N 1.448 115.960 114.554 -0.071 0.000 2.771 241 T HA 0.724 5.074 4.350 -0.001 0.000 0.281 241 T C -0.125 174.553 174.700 -0.037 0.000 0.982 241 T CA -0.633 61.398 62.100 -0.115 0.000 0.978 241 T CB 1.022 69.760 68.868 -0.216 0.000 0.930 241 T HN 0.474 nan 8.240 nan 0.000 0.447 242 T N 2.440 116.968 114.554 -0.045 0.000 2.829 242 T HA 0.676 5.025 4.350 -0.001 0.000 0.280 242 T C -0.535 174.138 174.700 -0.045 0.000 0.999 242 T CA -0.807 61.269 62.100 -0.039 0.000 0.983 242 T CB 1.641 70.482 68.868 -0.045 0.000 0.968 242 T HN 0.701 nan 8.240 nan 0.000 0.446 243 S N 1.603 117.261 115.700 -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 0.974 64.123 63.200 -0.085 0.000 1.041 243 S HN 0.712 nan 8.310 nan 0.000 0.485 244 T N 5.429 119.734 114.554 -0.414 0.000 2.863 244 T HA 0.708 5.058 4.350 -0.001 0.000 0.285 244 T C -0.804 173.535 174.700 -0.602 0.000 1.009 244 T CA -0.946 60.745 62.100 -0.681 0.000 0.989 244 T CB 1.139 69.183 68.868 -1.373 0.000 1.004 244 T HN 0.486 nan 8.240 nan 0.000 0.455 245 R N 1.014 121.372 120.500 -0.236 0.000 2.774 245 R HA 0.603 4.943 4.340 -0.001 0.000 0.272 245 R C -0.920 175.566 176.300 0.311 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 2.709 117.493 114.554 0.382 0.000 2.837 246 T HA 0.543 4.893 4.350 -0.001 0.000 0.285 246 T C -0.295 174.473 174.700 0.114 0.000 0.984 246 T CA -0.560 61.636 62.100 0.160 0.000 1.049 246 T CB 0.639 69.563 68.868 0.094 0.000 0.947 246 T HN 0.462 nan 8.240 nan 0.000 0.472 247 W N 0.573 121.801 121.300 -0.119 0.000 2.864 247 W HA 0.820 5.480 4.660 -0.001 0.000 0.343 247 W C -1.440 174.903 176.519 -0.293 0.000 1.109 247 W CA -1.690 55.350 57.345 -0.508 0.000 1.192 247 W CB 1.350 30.498 29.460 -0.520 0.000 1.426 247 W HN 0.736 nan 8.180 nan 0.000 0.529 248 A N 2.952 125.771 122.820 -0.003 0.000 2.386 248 A HA 0.789 5.109 4.320 -0.001 0.000 0.311 248 A C -2.154 175.550 177.584 0.200 0.000 1.068 248 A CA -0.790 51.303 52.037 0.094 0.000 0.743 248 A CB 2.003 21.009 19.000 0.011 0.000 1.258 248 A HN 0.692 nan 8.150 nan 0.000 0.429 249 L N 3.674 125.066 121.223 0.282 0.000 2.404 249 L HA 0.672 5.011 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 -1.557 53.385 54.840 0.169 0.000 0.836 249 L CB 2.128 44.313 42.059 0.211 0.000 1.238 249 L HN 0.451 nan 8.230 nan 0.000 0.408 250 P HA 0.381 nan 4.420 nan 0.000 0.312 250 P C -1.034 176.104 177.300 -0.270 0.000 1.308 250 P CA -0.384 62.577 63.100 -0.232 0.000 0.743 250 P CB 0.575 31.970 31.700 -0.508 0.000 1.364 251 T N 0.130 114.494 114.554 -0.317 0.000 2.929 251 T HA 0.356 4.706 4.350 -0.001 0.000 0.331 251 T C -0.493 173.989 174.700 -0.363 0.000 1.120 251 T CA -0.041 61.864 62.100 -0.326 0.000 0.973 251 T CB -0.988 67.646 68.868 -0.391 0.000 1.036 251 T HN 0.108 nan 8.240 nan 0.000 0.502 252 Y N 2.144 122.345 120.300 -0.166 0.000 2.397 252 Y HA 0.125 4.675 4.550 -0.001 0.000 0.335 252 Y C 1.721 177.538 175.900 -0.139 0.000 1.213 252 Y CA 0.038 58.066 58.100 -0.120 0.000 1.391 252 Y CB 0.307 38.726 38.460 -0.068 0.000 1.293 252 Y HN 0.693 nan 8.280 nan 0.000 0.557 253 N N 1.729 120.487 118.700 0.096 0.000 2.690 253 N HA -0.411 4.328 4.740 -0.001 0.000 0.249 253 N C -0.194 175.308 175.510 -0.015 0.000 1.125 253 N CA 0.806 53.880 53.050 0.039 0.000 0.794 253 N CB -0.574 37.938 38.487 0.043 0.000 1.152 253 N HN 0.784 nan 8.380 nan 0.000 0.571 254 N N -0.062 118.568 118.700 -0.117 0.000 2.735 254 N HA -0.203 4.537 4.740 -0.001 0.000 0.248 254 N C -0.576 174.847 175.510 -0.146 0.000 1.083 254 N CA 2.029 54.975 53.050 -0.173 0.000 0.703 254 N CB -1.729 36.754 38.487 -0.007 0.000 1.005 254 N HN 0.764 nan 8.380 nan 0.000 0.550 255 H N -2.872 116.151 119.070 -0.078 0.000 2.899 255 H HA -0.189 4.367 4.556 -0.001 0.000 0.282 255 H C -0.179 175.149 175.328 0.000 0.000 1.198 255 H CA 1.125 57.093 56.048 -0.133 0.000 1.140 255 H CB -1.206 28.340 29.762 -0.360 0.000 1.317 255 H HN 0.302 nan 8.280 nan 0.000 0.375 256 L N 0.402 121.695 121.223 0.117 0.000 2.362 256 L HA 0.445 4.785 4.340 -0.001 0.000 0.271 256 L C -0.155 176.809 176.870 0.156 0.000 1.002 256 L CA -1.010 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 2.239 122.683 120.300 0.240 0.000 2.404 257 Y HA 0.291 4.841 4.550 -0.001 0.000 0.344 257 Y C -0.004 176.037 175.900 0.235 0.000 0.995 257 Y CA -0.214 58.059 58.100 0.289 0.000 1.201 257 Y CB 0.841 39.538 38.460 0.395 0.000 1.151 257 Y HN 0.297 nan 8.280 nan 0.000 0.517 258 K N 2.997 123.577 120.400 0.301 0.000 2.292 258 K HA 0.244 4.564 4.320 -0.001 0.000 0.257 258 K C -0.688 175.998 176.600 0.143 0.000 0.940 258 K CA -1.026 55.372 56.287 0.185 0.000 0.811 258 K CB 1.878 34.431 32.500 0.089 0.000 1.120 258 K HN 0.591 nan 8.250 nan 0.000 0.428 259 Q N 4.761 124.586 119.800 0.041 0.000 2.296 259 Q HA 0.247 4.587 4.340 -0.001 0.000 0.262 259 Q C -0.647 175.117 176.000 -0.394 0.000 0.981 259 Q CA -0.306 55.293 55.803 -0.340 0.000 0.905 259 Q CB 0.419 28.980 28.738 -0.294 0.000 1.186 259 Q HN 0.631 nan 8.270 nan 0.000 0.399 260 I N 0.726 120.927 120.570 -0.615 0.000 2.740 260 I HA 0.821 4.991 4.170 -0.001 0.000 0.303 260 I C -0.655 175.061 176.117 -0.669 0.000 1.044 260 I CA -0.712 60.316 61.300 -0.452 0.000 1.064 260 I CB 2.332 40.175 38.000 -0.261 0.000 1.249 260 I HN 0.771 nan 8.210 nan 0.000 0.433 261 S N 2.162 117.535 115.700 -0.545 0.000 2.724 261 S HA 0.530 4.999 4.470 -0.001 0.000 0.278 261 S C -0.568 173.640 174.600 -0.654 0.000 1.190 261 S CA -0.333 57.439 58.200 -0.713 0.000 0.860 261 S CB 0.805 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 -0.084 174.552 174.600 0.059 0.000 1.305 262 S CA -0.580 57.624 58.200 0.006 0.000 1.022 262 S CB 0.555 63.905 63.200 0.250 0.000 0.940 262 S HN 0.752 nan 8.310 nan 0.000 0.525 263 Q N 1.585 121.432 119.800 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 0.451 29.206 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 0.128 4.598 4.470 -0.001 0.000 0.344 264 S C 0.835 175.471 174.600 0.060 0.000 1.066 264 S CA 0.666 58.900 58.200 0.056 0.000 1.721 264 S CB -0.933 62.285 63.200 0.029 0.000 1.330 264 S HN 0.820 nan 8.310 nan 0.000 0.623 265 G N 1.856 110.719 108.800 0.105 0.000 2.248 265 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.263 265 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.263 265 G C 0.590 175.500 174.900 0.017 0.000 1.082 265 G CA 0.085 45.233 45.100 0.079 0.000 0.863 265 G HN 0.897 nan 8.290 nan 0.000 0.495 266 A N -1.206 121.603 122.820 -0.019 0.000 1.924 266 A HA 0.766 5.085 4.320 -0.001 0.000 0.211 266 A C 1.313 178.830 177.584 -0.113 0.000 1.198 266 A CA 1.880 53.883 52.037 -0.055 0.000 0.657 266 A CB 0.490 19.465 19.000 -0.042 0.000 0.852 266 A HN 1.503 nan 8.150 nan 0.000 0.454 267 S N -2.507 113.064 115.700 -0.215 0.000 2.547 267 S HA 0.346 4.816 4.470 -0.001 0.000 0.270 267 S C 0.197 174.511 174.600 -0.477 0.000 1.150 267 S CA -0.314 57.728 58.200 -0.263 0.000 0.850 267 S CB 1.306 64.368 63.200 -0.229 0.000 1.118 267 S HN 0.464 nan 8.310 nan 0.000 0.461 268 N N 0.819 119.373 118.700 -0.243 0.000 2.508 268 N HA 0.008 4.748 4.740 -0.001 0.000 0.186 268 N C -0.020 175.514 175.510 0.040 0.000 1.034 268 N CA 0.297 53.315 53.050 -0.052 0.000 0.885 268 N CB 0.063 38.605 38.487 0.092 0.000 1.135 268 N HN 0.525 nan 8.380 nan 0.000 0.435 269 D N 0.643 121.038 120.400 -0.008 0.000 2.363 269 D HA 0.012 4.652 4.640 -0.001 0.000 0.226 269 D C 0.006 176.308 176.300 0.003 0.000 1.020 269 D CA 0.619 54.646 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 -0.589 118.072 118.700 -0.066 0.000 2.200 270 N HA -0.003 4.736 4.740 -0.001 0.000 0.224 270 N C -0.022 175.523 175.510 0.060 0.000 1.179 270 N CA -0.373 52.641 53.050 -0.060 0.000 0.877 270 N CB 0.710 39.110 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 0.027 4.582 4.556 -0.001 0.000 0.338 271 H C -0.469 175.042 175.328 0.306 0.000 1.047 271 H CA 0.651 56.819 56.048 0.200 0.000 1.435 271 H CB 0.175 30.002 29.762 0.108 0.000 1.428 271 H HN 0.290 nan 8.280 nan 0.000 0.590 272 Y N 1.385 121.808 120.300 0.205 0.000 2.656 272 Y HA 0.513 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 1.516 40.024 38.460 0.080 0.000 1.308 272 Y HN 0.383 nan 8.280 nan 0.000 0.456 273 F N 1.148 121.028 119.950 -0.116 0.000 2.596 273 F HA 0.842 5.369 4.527 -0.001 0.000 0.311 273 F C -0.353 175.357 175.800 -0.150 0.000 1.116 273 F CA 0.001 57.844 58.000 -0.261 0.000 0.957 273 F CB 2.087 40.983 39.000 -0.172 0.000 1.250 273 F HN 1.076 nan 8.300 nan 0.000 0.444 274 G N 2.810 111.042 108.800 -0.946 0.000 2.500 274 G HA2 0.451 4.411 3.960 -0.001 0.000 0.299 274 G HA3 0.451 4.411 3.960 -0.001 0.000 0.299 274 G C -2.439 171.802 174.900 -1.098 0.000 1.242 274 G CA -0.599 44.083 45.100 -0.698 0.000 0.859 274 G HN 0.552 nan 8.290 nan 0.000 0.481 275 Y N -0.893 119.019 120.300 -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 57.073 58.100 -0.431 0.000 1.042 275 Y CB 2.657 41.008 38.460 -0.181 0.000 1.289 275 Y HN 0.558 nan 8.280 nan 0.000 0.471 276 S N 1.096 116.828 115.700 0.053 0.000 2.552 276 S HA 0.596 5.066 4.470 -0.001 0.000 0.314 276 S C -0.714 173.932 174.600 0.078 0.000 1.099 276 S CA -0.571 57.638 58.200 0.016 0.000 1.070 276 S CB 0.325 63.520 63.200 -0.009 0.000 0.998 276 S HN 0.702 nan 8.310 nan 0.000 0.474 277 T N 2.338 116.927 114.554 0.057 0.000 2.945 277 T HA 0.601 4.950 4.350 -0.001 0.000 0.286 277 T C -2.534 172.143 174.700 -0.037 0.000 1.025 277 T CA -2.097 59.954 62.100 -0.081 0.000 1.039 277 T CB 1.400 70.420 68.868 0.253 0.000 1.068 277 T HN 0.297 nan 8.240 nan 0.000 0.497 278 P HA 0.194 nan 4.420 nan 0.000 0.249 278 P C -0.861 176.431 177.300 -0.013 0.000 1.241 278 P CA -0.118 62.953 63.100 -0.049 0.000 0.781 278 P CB -0.177 31.448 31.700 -0.125 0.000 1.088 279 W N 0.422 121.730 121.300 0.014 0.000 2.438 279 W HA 0.569 5.229 4.660 -0.001 0.000 0.324 279 W C 1.041 177.579 176.519 0.032 0.000 1.119 279 W CA -0.082 57.291 57.345 0.046 0.000 1.221 279 W CB 0.985 30.468 29.460 0.038 0.000 1.253 279 W HN -0.157 nan 8.180 nan 0.000 0.555 280 G N 1.127 110.055 108.800 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 -3.091 117.075 120.300 -0.224 0.000 2.641 281 Y HA 0.683 5.233 4.550 -0.001 0.000 0.333 281 Y C -1.831 173.890 175.900 -0.298 0.000 1.174 281 Y CA -2.086 55.865 58.100 -0.247 0.000 1.057 281 Y CB 0.949 39.280 38.460 -0.215 0.000 1.322 281 Y HN 0.389 nan 8.280 nan 0.000 0.457 282 F N 1.955 121.897 119.950 -0.013 0.000 2.404 282 F HA 0.502 5.029 4.527 -0.001 0.000 0.339 282 F C -0.168 175.673 175.800 0.068 0.000 1.105 282 F CA 0.001 58.030 58.000 0.048 0.000 1.087 282 F CB 1.440 40.540 39.000 0.165 0.000 1.143 282 F HN 0.587 nan 8.300 nan 0.000 0.491 283 D N 2.678 123.208 120.400 0.216 0.000 2.780 283 D HA 0.429 5.069 4.640 -0.001 0.000 0.242 283 D C -0.874 175.493 176.300 0.112 0.000 1.135 283 D CA -0.500 53.517 54.000 0.029 0.000 0.859 283 D CB 1.155 41.978 40.800 0.039 0.000 1.530 283 D HN 0.292 nan 8.370 nan 0.000 0.493 284 F N 1.060 121.105 119.950 0.158 0.000 2.608 284 F HA 0.390 4.917 4.527 -0.001 0.000 0.383 284 F C 0.246 176.125 175.800 0.132 0.000 1.371 284 F CA -0.825 57.254 58.000 0.132 0.000 1.123 284 F CB -0.919 38.236 39.000 0.258 0.000 1.207 284 F HN 0.274 nan 8.300 nan 0.000 0.512 285 N N 1.312 119.854 118.700 -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 52.563 53.050 -0.652 0.000 0.833 285 N CB 0.257 38.160 38.487 -0.975 0.000 1.069 285 N HN 0.349 nan 8.380 nan 0.000 0.479 286 R N -0.540 119.858 120.500 -0.169 0.000 2.637 286 R HA 0.223 4.562 4.340 -0.001 0.000 0.291 286 R C 0.076 176.306 176.300 -0.117 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 0.908 120.875 119.950 0.028 0.000 2.171 287 F HA -0.169 4.358 4.527 -0.001 0.000 0.300 287 F C 2.253 178.155 175.800 0.169 0.000 1.090 287 F CA 1.622 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 -2.947 116.243 119.070 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 56.519 56.048 0.107 0.000 1.171 288 H CB -1.451 28.336 29.762 0.042 0.000 1.351 288 H HN 0.236 nan 8.280 nan 0.000 0.602 289 C N 0.542 119.792 119.300 -0.083 0.000 2.448 289 C HA -0.002 4.458 4.460 -0.001 0.000 0.280 289 C C 1.731 176.479 174.990 -0.404 0.000 1.398 289 C CA 0.848 59.702 59.018 -0.272 0.000 1.774 289 C CB -0.634 26.803 27.740 -0.505 0.000 1.888 289 C HN 0.800 nan 8.230 nan 0.000 0.519 290 H N -2.928 116.241 119.070 0.164 0.000 2.545 290 H HA 0.225 4.780 4.556 -0.001 0.000 0.251 290 H C -0.041 175.213 175.328 -0.124 0.000 0.934 290 H CA 0.152 56.211 56.048 0.017 0.000 1.116 290 H CB -0.110 29.683 29.762 0.051 0.000 1.439 290 H HN 0.312 nan 8.280 nan 0.000 0.445 291 F N 3.496 123.600 119.950 0.257 0.000 2.411 291 F HA 0.209 4.736 4.527 -0.001 0.000 0.355 291 F C 1.106 176.992 175.800 0.144 0.000 1.117 291 F CA -0.805 57.309 58.000 0.190 0.000 1.139 291 F CB 1.084 40.264 39.000 0.300 0.000 1.120 291 F HN -0.019 nan 8.300 nan 0.000 0.493 292 S N 3.943 119.797 115.700 0.258 0.000 2.584 292 S HA 0.218 4.688 4.470 -0.001 0.000 0.270 292 S C -1.860 172.845 174.600 0.175 0.000 1.346 292 S CA -1.012 57.298 58.200 0.184 0.000 1.018 292 S CB 1.215 64.503 63.200 0.147 0.000 0.899 292 S HN 0.360 nan 8.310 nan 0.000 0.542 293 P HA -0.143 nan 4.420 nan 0.000 0.215 293 P C 1.736 179.022 177.300 -0.024 0.000 1.157 293 P CA 1.216 64.217 63.100 -0.165 0.000 0.874 293 P CB -0.058 31.405 31.700 -0.395 0.000 0.790 294 R N 0.398 120.929 120.500 0.051 0.000 2.103 294 R HA -0.164 4.176 4.340 -0.001 0.000 0.242 294 R C 1.774 178.150 176.300 0.127 0.000 1.142 294 R CA 2.000 58.147 56.100 0.080 0.000 0.960 294 R CB -1.657 28.704 30.300 0.101 0.000 0.858 294 R HN 0.120 nan 8.270 nan 0.000 0.439 295 D N -0.613 119.936 120.400 0.248 0.000 2.097 295 D HA -0.221 4.419 4.640 -0.001 0.000 0.195 295 D C 1.654 178.179 176.300 0.374 0.000 0.989 295 D CA 1.206 55.475 54.000 0.447 0.000 0.827 295 D CB -0.615 40.513 40.800 0.548 0.000 0.966 295 D HN 0.373 nan 8.370 nan 0.000 0.456 296 W N 2.043 123.373 121.300 0.051 0.000 2.325 296 W HA -0.242 4.418 4.660 -0.001 0.000 0.299 296 W C 2.156 178.522 176.519 -0.254 0.000 1.215 296 W CA 1.454 58.669 57.345 -0.217 0.000 1.244 296 W CB -0.096 29.192 29.460 -0.287 0.000 1.140 296 W HN 0.114 nan 8.180 nan 0.000 0.523 297 Q N 0.318 120.069 119.800 -0.083 0.000 2.084 297 Q HA -0.217 4.123 4.340 -0.001 0.000 0.202 297 Q C 2.387 178.255 176.000 -0.220 0.000 0.978 297 Q CA 1.827 57.516 55.803 -0.189 0.000 0.844 297 Q CB -0.198 28.498 28.738 -0.070 0.000 0.898 297 Q HN 0.267 nan 8.270 nan 0.000 0.426 298 R N 0.160 120.544 120.500 -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 1.343 57.223 56.100 -0.366 0.000 0.960 298 R CB -0.482 29.414 30.300 -0.674 0.000 0.856 298 R HN 0.330 nan 8.270 nan 0.000 0.436 299 L N 0.788 121.886 121.223 -0.208 0.000 1.976 299 L HA -0.191 4.149 4.340 -0.001 0.000 0.209 299 L C 2.147 178.801 176.870 -0.361 0.000 1.071 299 L CA 1.280 55.987 54.840 -0.220 0.000 0.746 299 L CB -0.198 41.561 42.059 -0.500 0.000 0.890 299 L HN 0.134 nan 8.230 nan 0.000 0.432 300 I N 0.628 120.865 120.570 -0.555 0.000 2.208 300 I HA -0.301 3.869 4.170 -0.001 0.000 0.245 300 I C 1.797 177.782 176.117 -0.220 0.000 1.097 300 I CA 1.464 62.483 61.300 -0.469 0.000 1.363 300 I CB -1.566 36.055 38.000 -0.632 0.000 1.051 300 I HN 0.434 nan 8.210 nan 0.000 0.413 301 N N 0.936 119.506 118.700 -0.216 0.000 2.398 301 N HA -0.025 4.715 4.740 -0.001 0.000 0.188 301 N C 0.872 176.348 175.510 -0.057 0.000 1.122 301 N CA 0.352 53.339 53.050 -0.104 0.000 0.866 301 N CB -0.026 38.392 38.487 -0.115 0.000 0.970 301 N HN 0.452 nan 8.380 nan 0.000 0.462 302 N N -0.235 118.420 118.700 -0.075 0.000 2.113 302 N HA 0.094 4.833 4.740 -0.001 0.000 0.223 302 N C -0.797 174.685 175.510 -0.046 0.000 1.310 302 N CA -0.052 52.948 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 -0.217 118.515 118.700 0.053 0.000 2.346 303 N HA 0.146 4.886 4.740 -0.001 0.000 0.289 303 N C 0.278 175.999 175.510 0.352 0.000 1.027 303 N CA -0.434 52.692 53.050 0.128 0.000 0.864 303 N CB 1.680 40.250 38.487 0.138 0.000 1.370 303 N HN 0.119 nan 8.380 nan 0.000 0.481 304 W N 1.998 123.285 121.300 -0.021 0.000 2.341 304 W HA -0.131 4.529 4.660 -0.001 0.000 0.283 304 W C 1.092 177.644 176.519 0.055 0.000 1.215 304 W CA 0.231 57.550 57.345 -0.044 0.000 1.211 304 W CB 0.396 29.742 29.460 -0.190 0.000 1.131 304 W HN 0.615 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 4.392 3.960 -0.001 0.000 0.300 305 G HA3 0.433 4.392 3.960 -0.001 0.000 0.300 305 G C -1.780 173.474 174.900 0.590 0.000 1.330 305 G CA -0.571 44.744 45.100 0.359 0.000 0.813 305 G HN 0.128 nan 8.290 nan 0.000 0.487 306 F N -1.408 118.962 119.950 0.701 0.000 2.858 306 F HA 0.930 5.457 4.527 -0.001 0.000 0.319 306 F C -0.887 175.313 175.800 0.667 0.000 1.166 306 F CA -1.136 57.312 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 0.997 nan 8.300 nan 0.000 0.461 307 R N -0.040 120.785 120.500 0.541 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 -0.051 0.000 1.032 307 R CA -1.855 54.205 56.100 -0.066 0.000 0.866 307 R CB 1.742 31.720 30.300 -0.537 0.000 1.263 307 R HN 0.396 nan 8.270 nan 0.000 0.475 308 P HA 0.356 nan 4.420 nan 0.000 0.279 308 P C -0.766 176.026 177.300 -0.847 0.000 1.252 308 P CA -0.597 61.768 63.100 -1.225 0.000 0.811 308 P CB 1.221 31.592 31.700 -2.215 0.000 1.035 309 K N 0.535 120.535 120.400 -0.667 0.000 2.524 309 K HA 0.288 4.608 4.320 -0.001 0.000 0.210 309 K C 0.380 176.967 176.600 -0.022 0.000 1.340 309 K CA 0.806 56.939 56.287 -0.257 0.000 0.880 309 K CB 0.287 32.671 32.500 -0.194 0.000 1.616 309 K HN 0.360 nan 8.250 nan 0.000 0.457 310 K N 0.220 120.579 120.400 -0.067 0.000 2.378 310 K HA 0.566 4.886 4.320 -0.001 0.000 0.244 310 K C -1.342 175.289 176.600 0.053 0.000 1.039 310 K CA -0.954 55.323 56.287 -0.017 0.000 0.863 310 K CB 1.984 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 -1.852 174.985 176.870 -0.055 0.000 0.932 311 L CA 0.028 54.883 54.840 0.025 0.000 0.878 311 L CB 2.421 44.563 42.059 0.138 0.000 1.333 311 L HN 0.513 nan 8.230 nan 0.000 0.409 312 S N 4.503 120.178 115.700 -0.041 0.000 2.605 312 S HA 0.654 5.124 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 1.012 64.154 63.200 -0.097 0.000 1.001 312 S HN 0.496 nan 8.310 nan 0.000 0.480 313 F N 3.412 123.370 119.950 0.014 0.000 2.469 313 F HA 0.687 5.214 4.527 -0.001 0.000 0.332 313 F C -0.280 175.590 175.800 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 0.313 0.000 1.137 313 F HN 0.416 nan 8.300 nan 0.000 0.463 314 K N 7.283 127.311 120.400 -0.621 0.000 2.535 314 K HA 0.533 4.853 4.320 -0.001 0.000 0.251 314 K C -2.181 174.301 176.600 -0.197 0.000 0.942 314 K CA -0.607 55.547 56.287 -0.222 0.000 0.798 314 K CB 1.579 34.045 32.500 -0.056 0.000 1.267 314 K HN 0.773 nan 8.250 nan 0.000 0.434 315 L N 5.871 127.162 121.223 0.114 0.000 2.346 315 L HA 0.698 5.038 4.340 -0.001 0.000 0.276 315 L C -0.743 176.382 176.870 0.426 0.000 1.006 315 L CA -0.874 54.053 54.840 0.146 0.000 0.817 315 L CB 0.988 43.120 42.059 0.122 0.000 1.272 315 L HN 0.704 nan 8.230 nan 0.000 0.421 316 F N -0.632 119.421 119.950 0.172 0.000 2.877 316 F HA 0.367 4.894 4.527 -0.001 0.000 0.319 316 F C -0.162 175.707 175.800 0.116 0.000 1.174 316 F CA -1.468 56.609 58.000 0.129 0.000 0.903 316 F CB 1.079 40.121 39.000 0.070 0.000 1.357 316 F HN 0.484 nan 8.300 nan 0.000 0.472 317 N N 0.577 119.432 118.700 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 53.632 53.050 0.104 0.000 0.742 317 N CB -1.069 37.484 38.487 0.110 0.000 0.906 317 N HN 0.488 nan 8.380 nan 0.000 0.541 318 I N 0.904 121.491 120.570 0.029 0.000 2.474 318 I HA 0.093 4.263 4.170 -0.001 0.000 0.287 318 I C 0.492 176.575 176.117 -0.057 0.000 1.048 318 I CA 0.122 61.419 61.300 -0.005 0.000 1.383 318 I CB 0.891 38.967 38.000 0.126 0.000 1.412 318 I HN 0.137 nan 8.210 nan 0.000 0.531 319 Q N 5.437 125.153 119.800 -0.140 0.000 2.285 319 Q HA 0.510 4.850 4.340 -0.001 0.000 0.269 319 Q C -1.399 174.486 176.000 -0.191 0.000 1.030 319 Q CA -0.760 54.954 55.803 -0.148 0.000 0.788 319 Q CB 3.139 31.771 28.738 -0.177 0.000 1.266 319 Q HN 0.392 nan 8.270 nan 0.000 0.438 320 V N 3.337 123.158 119.914 -0.155 0.000 2.347 320 V HA 0.354 4.473 4.120 -0.001 0.000 0.280 320 V C -0.323 175.623 176.094 -0.246 0.000 1.021 320 V CA -0.633 61.552 62.300 -0.191 0.000 0.847 320 V CB 1.160 32.926 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 -0.349 176.116 176.600 -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 34.638 32.500 -0.641 0.000 1.108 321 K HN 0.892 nan 8.250 nan 0.000 0.433 322 E N 0.284 120.451 120.200 -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 0.134 nan 8.360 nan 0.000 0.402 323 V N 2.326 122.307 119.914 0.111 0.000 2.815 323 V HA 0.803 4.922 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 0.003 62.358 62.300 0.092 0.000 0.952 323 V CB 2.113 33.997 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 -0.923 173.790 174.700 0.022 0.000 1.000 324 T CA -0.671 61.449 62.100 0.033 0.000 0.989 324 T CB 1.573 70.460 68.868 0.031 0.000 1.005 324 T HN 0.602 nan 8.240 nan 0.000 0.442 325 Q N 2.954 122.764 119.800 0.017 0.000 2.503 325 Q HA 0.394 4.733 4.340 -0.001 0.000 0.227 325 Q C 0.861 176.867 176.000 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 1.138 119.843 118.700 0.009 0.000 2.132 326 N HA -0.076 4.663 4.740 -0.001 0.000 0.187 326 N C 0.097 175.611 175.510 0.005 0.000 1.038 326 N CA 1.244 54.299 53.050 0.009 0.000 0.846 326 N CB 0.416 38.909 38.487 0.009 0.000 1.012 326 N HN 0.445 nan 8.380 nan 0.000 0.429 327 D N -1.627 118.775 120.400 0.004 0.000 3.051 327 D HA 0.227 4.866 4.640 -0.001 0.000 0.216 327 D C 1.040 177.340 176.300 -0.000 0.000 1.454 327 D CA 0.492 54.493 54.000 0.002 0.000 1.400 327 D CB -0.478 40.323 40.800 0.001 0.000 0.975 327 D HN 0.226 nan 8.370 nan 0.000 0.212 328 G N -0.192 108.607 108.800 -0.001 0.000 3.839 328 G HA2 0.262 4.222 3.960 -0.001 0.000 0.286 328 G HA3 0.262 4.222 3.960 -0.001 0.000 0.286 328 G C -0.216 174.682 174.900 -0.004 0.000 1.005 328 G CA 0.109 45.208 45.100 -0.003 0.000 0.824 328 G HN 0.241 nan 8.290 nan 0.000 0.489 329 T N 0.688 115.241 114.554 -0.002 0.000 2.881 329 T HA 0.525 4.875 4.350 -0.001 0.000 0.290 329 T C -0.326 174.374 174.700 0.000 0.000 1.000 329 T CA -0.270 61.829 62.100 -0.002 0.000 0.978 329 T CB 1.360 70.228 68.868 -0.001 0.000 0.997 329 T HN 0.111 nan 8.240 nan 0.000 0.443 330 T N 2.222 116.775 114.554 -0.002 0.000 2.738 330 T HA 0.533 4.883 4.350 -0.001 0.000 0.298 330 T C 0.414 175.118 174.700 0.008 0.000 0.962 330 T CA -0.800 61.301 62.100 0.001 0.000 0.972 330 T CB 0.263 69.126 68.868 -0.007 0.000 0.928 330 T HN 0.714 nan 8.240 nan 0.000 0.474 331 T N 2.002 116.565 114.554 0.015 0.000 2.837 331 T HA 0.663 5.013 4.350 -0.001 0.000 0.285 331 T C 0.003 174.723 174.700 0.034 0.000 0.984 331 T CA -0.941 61.171 62.100 0.020 0.000 1.049 331 T CB 0.500 69.378 68.868 0.016 0.000 0.947 331 T HN 0.644 nan 8.240 nan 0.000 0.472 332 I N 2.169 122.764 120.570 0.041 0.000 2.406 332 I HA 0.670 4.840 4.170 -0.001 0.000 0.290 332 I C 0.162 176.302 176.117 0.039 0.000 0.999 332 I CA -1.038 60.301 61.300 0.066 0.000 1.124 332 I CB 1.554 39.619 38.000 0.109 0.000 1.289 332 I HN 0.914 nan 8.210 nan 0.000 0.441 333 A N 5.327 128.163 122.820 0.026 0.000 2.479 333 A HA 0.626 4.946 4.320 -0.001 0.000 0.296 333 A C -0.895 176.676 177.584 -0.022 0.000 1.121 333 A CA -0.818 51.221 52.037 0.003 0.000 0.743 333 A CB 1.344 20.349 19.000 0.007 0.000 1.323 333 A HN 0.636 nan 8.150 nan 0.000 0.415 334 N N 1.977 120.661 118.700 -0.028 0.000 2.497 334 N HA 0.127 4.866 4.740 -0.001 0.000 0.271 334 N C -0.980 174.509 175.510 -0.034 0.000 1.142 334 N CA 0.172 53.195 53.050 -0.044 0.000 0.965 334 N CB 0.762 39.227 38.487 -0.036 0.000 1.077 334 N HN 0.590 nan 8.380 nan 0.000 0.462 335 N N 3.418 122.090 118.700 -0.046 0.000 2.699 335 N HA 0.204 4.944 4.740 -0.001 0.000 0.232 335 N C 0.899 176.393 175.510 -0.028 0.000 1.027 335 N CA -0.285 52.748 53.050 -0.029 0.000 0.920 335 N CB 0.328 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 0.985 122.198 121.223 -0.017 0.000 2.156 336 L HA -0.066 4.273 4.340 -0.001 0.000 0.208 336 L C 1.986 178.854 176.870 -0.004 0.000 1.095 336 L CA 1.282 56.114 54.840 -0.012 0.000 0.770 336 L CB -0.454 41.601 42.059 -0.007 0.000 0.914 336 L HN 0.528 nan 8.230 nan 0.000 0.439 337 T N -4.375 110.178 114.554 -0.001 0.000 3.148 337 T HA 0.011 4.361 4.350 -0.001 0.000 0.253 337 T C 0.967 175.668 174.700 0.003 0.000 1.134 337 T CA -0.058 62.044 62.100 0.004 0.000 1.051 337 T CB 0.038 68.909 68.868 0.005 0.000 0.959 337 T HN 0.094 nan 8.240 nan 0.000 0.525 338 S N 1.947 117.645 115.700 -0.003 0.000 2.601 338 S HA 0.522 4.991 4.470 -0.001 0.000 0.271 338 S C 0.415 175.016 174.600 0.001 0.000 1.305 338 S CA -0.421 57.775 58.200 -0.006 0.000 1.022 338 S CB 0.705 63.896 63.200 -0.016 0.000 0.940 338 S HN 0.743 nan 8.310 nan 0.000 0.525 339 T N 0.223 114.777 114.554 0.000 0.000 2.905 339 T HA 0.794 5.144 4.350 -0.001 0.000 0.283 339 T C -0.570 174.137 174.700 0.011 0.000 1.031 339 T CA -0.786 61.323 62.100 0.015 0.000 1.002 339 T CB 1.327 70.207 68.868 0.019 0.000 1.200 339 T HN 0.608 nan 8.240 nan 0.000 0.560 340 V N 0.152 120.086 119.914 0.033 0.000 3.087 340 V HA 0.523 4.642 4.120 -0.001 0.000 0.306 340 V C -1.791 174.326 176.094 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 3.483 123.286 119.800 0.005 0.000 2.331 341 Q HA 0.764 5.104 4.340 -0.001 0.000 0.267 341 Q C -1.454 174.668 176.000 0.203 0.000 1.006 341 Q CA -0.636 55.234 55.803 0.112 0.000 0.818 341 Q CB 2.561 31.383 28.738 0.140 0.000 1.276 341 Q HN 0.552 nan 8.270 nan 0.000 0.450 342 V N 3.365 123.376 119.914 0.162 0.000 2.823 342 V HA 0.745 4.864 4.120 -0.001 0.000 0.312 342 V C -0.719 175.413 176.094 0.063 0.000 1.072 342 V CA -0.830 61.448 62.300 -0.036 0.000 0.937 342 V CB 1.322 32.813 31.823 -0.553 0.000 1.013 342 V HN 0.790 nan 8.190 nan 0.000 0.430 343 F N 0.328 120.127 119.950 -0.251 0.000 2.817 343 F HA 0.806 5.332 4.527 -0.001 0.000 0.317 343 F C -0.901 174.704 175.800 -0.325 0.000 1.168 343 F CA -0.686 57.189 58.000 -0.209 0.000 0.911 343 F CB 1.982 40.898 39.000 -0.139 0.000 1.337 343 F HN 0.470 nan 8.300 nan 0.000 0.464 344 T N 0.684 115.095 114.554 -0.238 0.000 2.841 344 T HA 0.286 4.635 4.350 -0.001 0.000 0.285 344 T C -1.530 172.996 174.700 -0.290 0.000 0.991 344 T CA -0.410 61.391 62.100 -0.499 0.000 0.966 344 T CB 0.907 69.370 68.868 -0.676 0.000 0.962 344 T HN 0.835 nan 8.240 nan 0.000 0.438 345 D N 3.381 123.521 120.400 -0.433 0.000 2.498 345 D HA 0.249 4.888 4.640 -0.001 0.000 0.229 345 D C 0.857 176.914 176.300 -0.404 0.000 1.188 345 D CA 0.110 53.926 54.000 -0.308 0.000 1.028 345 D CB 0.061 40.645 40.800 -0.360 0.000 1.087 345 D HN 0.428 nan 8.370 nan 0.000 0.510 346 S N 2.017 117.536 115.700 -0.302 0.000 2.501 346 S HA 0.008 4.477 4.470 -0.001 0.000 0.220 346 S C 1.249 175.563 174.600 -0.476 0.000 0.997 346 S CA 0.066 58.037 58.200 -0.381 0.000 0.919 346 S CB 0.231 63.376 63.200 -0.092 0.000 0.778 346 S HN 0.536 nan 8.310 nan 0.000 0.523 347 E N 0.291 120.327 120.200 -0.273 0.000 2.474 347 E HA 0.130 4.479 4.350 -0.001 0.000 0.195 347 E C -0.887 175.736 176.600 0.039 0.000 1.039 347 E CA -0.319 56.034 56.400 -0.078 0.000 0.881 347 E CB 0.058 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 0.515 120.831 120.300 0.028 0.000 3.078 348 Y HA -0.296 4.253 4.550 -0.001 0.000 0.202 348 Y C 1.049 176.935 175.900 -0.024 0.000 1.322 348 Y CA 0.319 58.414 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 0.375 176.294 176.000 -0.135 0.000 0.906 349 Q CA 0.183 56.016 55.803 0.051 0.000 0.927 349 Q CB 0.592 29.432 28.738 0.170 0.000 1.069 349 Q HN 0.551 nan 8.270 nan 0.000 0.523 350 L N 1.871 122.978 121.223 -0.193 0.000 2.325 350 L HA 0.382 4.722 4.340 -0.001 0.000 0.279 350 L C -2.226 174.487 176.870 -0.261 0.000 1.054 350 L CA -2.421 52.168 54.840 -0.418 0.000 0.804 350 L CB 0.965 42.753 42.059 -0.451 0.000 1.200 350 L HN -0.183 nan 8.230 nan 0.000 0.436 351 P HA -0.121 nan 4.420 nan 0.000 0.260 351 P C -1.078 176.262 177.300 0.067 0.000 1.185 351 P CA 0.165 63.218 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 4.148 124.443 120.300 -0.008 0.000 2.584 352 Y HA 0.119 4.668 4.550 -0.001 0.000 0.351 352 Y C 1.210 177.119 175.900 0.015 0.000 1.030 352 Y CA 0.287 58.394 58.100 0.011 0.000 1.332 352 Y CB 0.366 38.850 38.460 0.041 0.000 1.148 352 Y HN 0.150 nan 8.280 nan 0.000 0.528 353 V N 7.064 126.807 119.914 -0.285 0.000 3.647 353 V HA 0.128 4.248 4.120 -0.001 0.000 0.279 353 V C 0.522 176.432 176.094 -0.308 0.000 1.314 353 V CA 0.305 62.456 62.300 -0.248 0.000 1.125 353 V CB -0.612 31.016 31.823 -0.324 0.000 0.907 353 V HN 0.589 nan 8.190 nan 0.000 0.434 354 L N -0.246 120.625 121.223 -0.586 0.000 2.488 354 L HA 0.570 4.909 4.340 -0.001 0.000 0.249 354 L C 1.569 178.345 176.870 -0.157 0.000 1.151 354 L CA 0.297 54.887 54.840 -0.416 0.000 0.806 354 L CB -0.074 41.616 42.059 -0.616 0.000 1.261 354 L HN 0.282 nan 8.230 nan 0.000 0.484 355 G N 0.160 108.879 108.800 -0.134 0.000 2.225 355 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.267 355 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.267 355 G C 0.458 175.356 174.900 -0.003 0.000 1.024 355 G CA 0.524 45.583 45.100 -0.069 0.000 0.784 355 G HN 0.528 nan 8.290 nan 0.000 0.507 356 S N -0.499 115.200 115.700 -0.002 0.000 2.754 356 S HA 0.578 5.048 4.470 -0.001 0.000 0.247 356 S C 1.482 175.937 174.600 -0.241 0.000 1.031 356 S CA 0.982 59.134 58.200 -0.081 0.000 1.014 356 S CB 0.646 63.827 63.200 -0.031 0.000 0.918 356 S HN 2.145 nan 8.310 nan 0.000 0.519 357 A N 1.597 124.349 122.820 -0.114 0.000 2.816 357 A HA -0.220 4.100 4.320 -0.001 0.000 0.270 357 A C 0.421 177.950 177.584 -0.092 0.000 1.413 357 A CA 0.898 52.887 52.037 -0.079 0.000 0.866 357 A CB -2.278 16.684 19.000 -0.064 0.000 1.032 357 A HN 0.667 nan 8.150 nan 0.000 0.642 358 H N -0.119 118.954 119.070 0.004 0.000 2.767 358 H HA 0.252 4.808 4.556 -0.001 0.000 0.380 358 H C 1.010 176.361 175.328 0.038 0.000 1.409 358 H CA 0.929 56.991 56.048 0.023 0.000 1.463 358 H CB 0.290 30.076 29.762 0.040 0.000 1.514 358 H HN 0.744 nan 8.280 nan 0.000 0.619 359 Q N -1.195 118.722 119.800 0.196 0.000 2.180 359 Q HA 0.404 4.743 4.340 -0.001 0.000 0.241 359 Q C 0.540 176.597 176.000 0.096 0.000 0.970 359 Q CA -0.233 55.645 55.803 0.126 0.000 0.919 359 Q CB 1.630 30.432 28.738 0.106 0.000 1.222 359 Q HN 0.958 nan 8.270 nan 0.000 0.482 360 G N -0.420 108.427 108.800 0.077 0.000 2.138 360 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.193 360 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.193 360 G C 0.112 175.010 174.900 -0.004 0.000 0.998 360 G CA -0.346 44.788 45.100 0.056 0.000 0.668 360 G HN 0.575 nan 8.290 nan 0.000 0.516 361 C N 0.245 119.534 119.300 -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 58.313 59.018 -0.091 0.000 2.260 361 C CB -0.016 27.705 27.740 -0.031 0.000 2.103 361 C HN 0.495 nan 8.230 nan 0.000 0.641 362 L N 2.381 123.423 121.223 -0.303 0.000 2.410 362 L HA 0.216 4.556 4.340 -0.001 0.000 0.273 362 L C -2.077 174.724 176.870 -0.115 0.000 1.152 362 L CA -1.109 53.469 54.840 -0.436 0.000 0.855 362 L CB -0.094 41.825 42.059 -0.233 0.000 1.129 362 L HN 0.386 nan 8.230 nan 0.000 0.463 363 P HA 0.024 nan 4.420 nan 0.000 0.262 363 P C -2.001 175.382 177.300 0.138 0.000 1.182 363 P CA -0.856 62.307 63.100 0.105 0.000 0.761 363 P CB 0.183 31.980 31.700 0.162 0.000 0.795 364 P HA -0.151 nan 4.420 nan 0.000 0.216 364 P C 0.213 177.515 177.300 0.004 0.000 1.150 364 P CA 1.248 64.411 63.100 0.104 0.000 0.843 364 P CB -0.022 31.622 31.700 -0.095 0.000 0.787 365 F N -0.200 119.591 119.950 -0.264 0.000 2.411 365 F HA 0.286 4.813 4.527 -0.001 0.000 0.350 365 F C -1.697 174.056 175.800 -0.077 0.000 1.114 365 F CA -3.001 54.774 58.000 -0.376 0.000 1.135 365 F CB 1.049 39.742 39.000 -0.512 0.000 1.120 365 F HN -0.110 nan 8.300 nan 0.000 0.495 366 P HA -0.149 nan 4.420 nan 0.000 0.218 366 P C 0.999 178.272 177.300 -0.044 0.000 1.148 366 P CA 1.749 64.759 63.100 -0.150 0.000 0.822 366 P CB 0.092 31.705 31.700 -0.145 0.000 0.784 367 A N -1.034 121.614 122.820 -0.287 0.000 2.119 367 A HA -0.054 4.266 4.320 -0.001 0.000 0.217 367 A C 0.657 178.351 177.584 0.182 0.000 1.153 367 A CA 0.724 52.759 52.037 -0.004 0.000 0.692 367 A CB -0.938 18.118 19.000 0.093 0.000 0.799 367 A HN 0.095 nan 8.150 nan 0.000 0.458 368 D N 0.163 120.716 120.400 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 1.383 42.351 40.800 0.280 0.000 1.160 368 D HN -0.019 nan 8.370 nan 0.000 0.459 369 V N 3.270 123.325 119.914 0.235 0.000 2.686 369 V HA 0.423 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 0.507 32.400 31.823 0.117 0.000 1.006 369 V HN 0.423 nan 8.190 nan 0.000 0.477 370 F N 2.526 122.566 119.950 0.149 0.000 2.593 370 F HA 0.777 5.304 4.527 -0.001 0.000 0.320 370 F C -0.457 175.424 175.800 0.134 0.000 1.060 370 F CA -1.349 56.732 58.000 0.134 0.000 0.940 370 F CB 1.941 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 3.276 122.915 119.600 0.066 0.000 2.264 371 M HA 0.526 5.006 4.480 -0.001 0.000 0.352 371 M C -1.340 174.958 176.300 -0.004 0.000 1.173 371 M CA -0.851 54.426 55.300 -0.040 0.000 1.075 371 M CB 1.540 34.166 32.600 0.043 0.000 1.621 371 M HN 0.611 nan 8.290 nan 0.000 0.457 372 V N 7.358 127.195 119.914 -0.128 0.000 2.508 372 V HA 0.249 4.369 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 -1.269 60.922 62.300 -0.181 0.000 1.016 372 V CB 0.456 32.032 31.823 -0.411 0.000 0.984 372 V HN 0.758 nan 8.190 nan 0.000 0.478 373 P HA 0.099 nan 4.420 nan 0.000 0.269 373 P C -0.574 176.426 177.300 -0.500 0.000 1.215 373 P CA -0.141 62.709 63.100 -0.416 0.000 0.780 373 P CB 0.469 31.733 31.700 -0.726 0.000 0.898 374 Q N 1.282 120.762 119.800 -0.532 0.000 2.230 374 Q HA 0.238 4.578 4.340 -0.001 0.000 0.248 374 Q C -1.314 174.698 176.000 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 -1.251 0.000 1.229 374 Q HN 0.377 nan 8.270 nan 0.000 0.439 375 Y N 1.472 121.771 120.300 -0.000 0.000 2.327 375 Y HA 0.581 5.131 4.550 -0.001 0.000 0.336 375 Y C -0.297 175.604 175.900 0.003 0.000 1.035 375 Y CA 0.139 58.257 58.100 0.031 0.000 1.165 375 Y CB 1.222 39.708 38.460 0.044 0.000 1.181 375 Y HN 0.639 nan 8.280 nan 0.000 0.494 376 G N 5.069 113.505 108.800 -0.606 0.000 2.696 376 G HA2 0.528 4.487 3.960 -0.001 0.000 0.295 376 G HA3 0.528 4.487 3.960 -0.001 0.000 0.295 376 G C -2.294 172.300 174.900 -0.509 0.000 1.398 376 G CA -0.824 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 -1.065 119.033 120.300 -0.337 0.000 2.615 377 Y HA 0.822 5.372 4.550 -0.001 0.000 0.341 377 Y C -1.177 174.735 175.900 0.020 0.000 1.089 377 Y CA -1.693 56.297 58.100 -0.184 0.000 1.049 377 Y CB 1.538 39.918 38.460 -0.134 0.000 1.296 377 Y HN 0.467 nan 8.280 nan 0.000 0.470 378 L N 2.012 123.370 121.223 0.224 0.000 2.334 378 L HA 0.733 5.072 4.340 -0.001 0.000 0.273 378 L C -0.220 176.860 176.870 0.350 0.000 1.013 378 L CA -0.608 54.360 54.840 0.214 0.000 0.816 378 L CB 2.407 44.587 42.059 0.202 0.000 1.278 378 L HN 0.965 nan 8.230 nan 0.000 0.431 379 T N 0.345 115.103 114.554 0.339 0.000 2.688 379 T HA 0.452 4.801 4.350 -0.001 0.000 0.249 379 T C -0.891 173.989 174.700 0.299 0.000 0.944 379 T CA -0.681 61.649 62.100 0.383 0.000 1.058 379 T CB 0.882 70.031 68.868 0.470 0.000 1.673 379 T HN 0.118 nan 8.240 nan 0.000 0.565 380 L N 2.975 124.356 121.223 0.265 0.000 2.350 380 L HA 0.578 4.918 4.340 -0.001 0.000 0.275 380 L C -0.579 176.380 176.870 0.149 0.000 1.099 380 L CA -0.366 54.585 54.840 0.185 0.000 0.808 380 L CB 0.131 42.276 42.059 0.143 0.000 1.149 380 L HN 0.910 nan 8.230 nan 0.000 0.442 381 N N 1.281 120.048 118.700 0.110 0.000 2.331 381 N HA 0.328 5.068 4.740 -0.001 0.000 0.280 381 N C -1.379 174.137 175.510 0.010 0.000 1.155 381 N CA -0.735 52.341 53.050 0.043 0.000 0.822 381 N CB 0.943 39.503 38.487 0.122 0.000 1.619 381 N HN 0.363 nan 8.380 nan 0.000 0.476 382 N N 1.101 119.762 118.700 -0.064 0.000 2.816 382 N HA 0.436 5.175 4.740 -0.001 0.000 0.236 382 N C 0.636 176.066 175.510 -0.133 0.000 1.076 382 N CA 0.987 53.996 53.050 -0.068 0.000 0.902 382 N CB 0.047 38.489 38.487 -0.076 0.000 1.149 382 N HN 1.029 nan 8.380 nan 0.000 0.506 383 G N 2.335 111.050 108.800 -0.141 0.000 2.523 383 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.271 383 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.271 383 G C 0.791 175.484 174.900 -0.346 0.000 1.146 383 G CA 0.519 45.366 45.100 -0.423 0.000 0.961 383 G HN 0.776 nan 8.290 nan 0.000 0.549 384 S N 0.257 115.712 115.700 -0.409 0.000 2.528 384 S HA 0.301 4.771 4.470 -0.001 0.000 0.219 384 S C 1.075 175.604 174.600 -0.118 0.000 0.985 384 S CA 1.304 59.444 58.200 -0.099 0.000 0.914 384 S CB 0.232 63.426 63.200 -0.011 0.000 0.776 384 S HN 0.757 nan 8.310 nan 0.000 0.526 385 Q N 0.584 120.257 119.800 -0.211 0.000 2.237 385 Q HA 0.718 5.057 4.340 -0.001 0.000 0.219 385 Q C -0.319 175.392 176.000 -0.483 0.000 0.999 385 Q CA -0.412 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 0.366 122.778 122.820 -0.680 0.000 2.346 386 A HA 0.703 5.023 4.320 -0.001 0.000 0.313 386 A C -0.689 176.708 177.584 -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 -1.247 0.000 1.332 386 A HN 0.465 nan 8.150 nan 0.000 0.457 387 V N -0.465 119.346 119.914 -0.173 0.000 3.406 387 V HA 0.531 4.650 4.120 -0.001 0.000 0.305 387 V C 1.770 177.833 176.094 -0.052 0.000 1.136 387 V CA 0.314 62.564 62.300 -0.083 0.000 1.011 387 V CB 1.252 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 -0.428 108.358 108.800 -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 -0.018 45.079 45.100 -0.006 0.000 0.793 388 G HN 0.576 nan 8.290 nan 0.000 0.539 389 R N 0.902 121.421 120.500 0.031 0.000 2.363 389 R HA 0.214 4.554 4.340 -0.001 0.000 0.236 389 R C 0.085 176.434 176.300 0.083 0.000 0.966 389 R CA -0.176 55.955 56.100 0.052 0.000 1.100 389 R CB 0.195 30.527 30.300 0.054 0.000 1.125 389 R HN 0.133 nan 8.270 nan 0.000 0.514 390 S N 0.363 116.120 115.700 0.095 0.000 2.584 390 S HA 0.218 4.688 4.470 -0.001 0.000 0.273 390 S C 0.071 174.767 174.600 0.160 0.000 1.311 390 S CA -0.281 58.020 58.200 0.168 0.000 1.034 390 S CB 1.710 65.038 63.200 0.213 0.000 0.939 390 S HN 0.060 nan 8.310 nan 0.000 0.513 391 S N 2.318 118.123 115.700 0.174 0.000 2.437 391 S HA 0.517 4.987 4.470 -0.001 0.000 0.305 391 S C -0.919 173.626 174.600 -0.091 0.000 1.109 391 S CA -0.550 57.610 58.200 -0.066 0.000 1.099 391 S CB 0.478 63.566 63.200 -0.187 0.000 1.004 391 S HN 0.556 nan 8.310 nan 0.000 0.475 392 F N 4.042 123.745 119.950 -0.411 0.000 2.427 392 F HA 0.561 5.088 4.527 -0.001 0.000 0.346 392 F C -1.485 173.999 175.800 -0.526 0.000 1.120 392 F CA -1.461 56.293 58.000 -0.410 0.000 1.033 392 F CB 0.445 39.201 39.000 -0.407 0.000 1.126 392 F HN 0.520 nan 8.300 nan 0.000 0.462 393 Y N 5.532 125.538 120.300 -0.491 0.000 2.328 393 Y HA 0.401 4.951 4.550 -0.001 0.000 0.333 393 Y C -0.071 175.454 175.900 -0.624 0.000 0.958 393 Y CA -0.858 56.962 58.100 -0.467 0.000 1.167 393 Y CB 1.408 39.675 38.460 -0.321 0.000 1.151 393 Y HN 0.715 nan 8.280 nan 0.000 0.470 394 C N 5.785 124.814 119.300 -0.451 0.000 2.307 394 C HA 0.402 4.861 4.460 -0.001 0.000 0.340 394 C C 0.993 176.050 174.990 0.112 0.000 1.275 394 C CA -0.577 58.221 59.018 -0.367 0.000 1.811 394 C CB -0.804 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 4.411 125.759 121.223 0.209 0.000 2.554 395 L HA 0.150 4.489 4.340 -0.001 0.000 0.226 395 L C 2.260 179.185 176.870 0.092 0.000 1.137 395 L CA 1.256 56.082 54.840 -0.023 0.000 0.863 395 L CB -0.439 41.164 42.059 -0.760 0.000 0.985 395 L HN 0.690 nan 8.230 nan 0.000 0.451 396 E N -1.550 118.851 120.200 0.335 0.000 2.435 396 E HA -0.142 4.207 4.350 -0.001 0.000 0.195 396 E C 1.159 177.873 176.600 0.189 0.000 1.029 396 E CA 0.500 57.096 56.400 0.327 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 -0.136 120.158 120.300 -0.011 0.000 2.495 397 Y HA 0.119 4.669 4.550 -0.001 0.000 0.293 397 Y C -0.393 175.276 175.900 -0.385 0.000 1.186 397 Y CA -0.319 57.678 58.100 -0.172 0.000 1.266 397 Y CB -0.005 38.320 38.460 -0.225 0.000 1.101 397 Y HN -0.228 nan 8.280 nan 0.000 0.517 398 F N 0.996 120.696 119.950 -0.415 0.000 2.495 398 F HA 0.433 4.960 4.527 -0.001 0.000 0.327 398 F C -2.171 173.285 175.800 -0.573 0.000 1.103 398 F CA -3.137 54.472 58.000 -0.651 0.000 0.949 398 F CB 0.902 39.168 39.000 -1.224 0.000 1.142 398 F HN -0.059 nan 8.300 nan 0.000 0.457 399 P HA 0.162 nan 4.420 nan 0.000 0.266 399 P C -1.055 176.177 177.300 -0.113 0.000 1.215 399 P CA -0.054 62.953 63.100 -0.156 0.000 0.763 399 P CB 0.571 32.203 31.700 -0.114 0.000 0.806 400 S N 1.695 117.391 115.700 -0.007 0.000 2.548 400 S HA 0.396 4.866 4.470 -0.001 0.000 0.286 400 S C -0.830 173.873 174.600 0.172 0.000 1.098 400 S CA -1.036 57.249 58.200 0.142 0.000 0.930 400 S CB 1.618 64.976 63.200 0.264 0.000 1.070 400 S HN 0.440 nan 8.310 nan 0.000 0.480 401 Q N 1.881 121.815 119.800 0.223 0.000 2.288 401 Q HA 0.391 4.731 4.340 -0.001 0.000 0.258 401 Q C -0.956 175.151 176.000 0.177 0.000 0.957 401 Q CA -0.169 55.761 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 4.486 124.169 119.600 0.138 0.000 2.209 402 M HA 0.330 4.810 4.480 -0.001 0.000 0.355 402 M C -1.219 175.147 176.300 0.111 0.000 1.171 402 M CA -0.715 54.652 55.300 0.111 0.000 1.069 402 M CB 0.948 33.596 32.600 0.081 0.000 1.622 402 M HN 0.450 nan 8.290 nan 0.000 0.459 403 L N 2.845 124.132 121.223 0.107 0.000 2.362 403 L HA 0.592 4.931 4.340 -0.001 0.000 0.275 403 L C -0.138 176.785 176.870 0.088 0.000 0.998 403 L CA -0.336 54.573 54.840 0.115 0.000 0.820 403 L CB 1.704 43.856 42.059 0.154 0.000 1.270 403 L HN 0.598 nan 8.230 nan 0.000 0.415 404 R N -0.036 120.509 120.500 0.076 0.000 2.602 404 R HA 0.657 4.996 4.340 -0.001 0.000 0.237 404 R C -0.471 175.865 176.300 0.061 0.000 1.219 404 R CA -0.543 55.590 56.100 0.055 0.000 1.121 404 R CB 0.959 31.285 30.300 0.042 0.000 1.408 404 R HN 0.621 nan 8.270 nan 0.000 0.559 405 T N 0.625 115.203 114.554 0.040 0.000 2.817 405 T HA 0.339 4.689 4.350 -0.001 0.000 0.295 405 T C 0.808 175.537 174.700 0.048 0.000 0.958 405 T CA 0.982 63.104 62.100 0.038 0.000 1.157 405 T CB 0.636 69.512 68.868 0.012 0.000 0.898 405 T HN 0.772 nan 8.240 nan 0.000 0.536 406 G N 3.714 112.554 108.800 0.067 0.000 2.218 406 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.216 406 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.216 406 G C 0.210 175.160 174.900 0.084 0.000 0.994 406 G CA -0.679 44.463 45.100 0.069 0.000 0.637 406 G HN 0.600 nan 8.290 nan 0.000 0.505 407 N N 1.727 120.485 118.700 0.097 0.000 2.445 407 N HA 0.563 5.303 4.740 -0.001 0.000 0.264 407 N C 0.107 175.715 175.510 0.162 0.000 1.227 407 N CA 0.389 53.510 53.050 0.117 0.000 0.963 407 N CB 0.889 39.447 38.487 0.118 0.000 1.188 407 N HN 0.760 nan 8.380 nan 0.000 0.491 408 N N -0.674 118.135 118.700 0.182 0.000 2.934 408 N HA 0.383 5.123 4.740 -0.001 0.000 0.253 408 N C -1.879 173.804 175.510 0.290 0.000 1.466 408 N CA -0.561 52.635 53.050 0.243 0.000 0.858 408 N CB 1.295 39.910 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 5.048 4.527 -0.001 0.000 0.320 409 F C -0.742 175.147 175.800 0.148 0.000 1.118 409 F CA -0.392 57.695 58.000 0.145 0.000 0.915 409 F CB 2.041 41.139 39.000 0.164 0.000 1.161 409 F HN 0.577 nan 8.300 nan 0.000 0.445 410 Q N 5.090 124.530 119.800 -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 -0.642 54.953 55.803 -0.345 0.000 0.820 410 Q CB 2.130 30.748 28.738 -0.199 0.000 1.347 410 Q HN 0.691 nan 8.270 nan 0.000 0.444 411 F N 0.659 120.472 119.950 -0.230 0.000 2.669 411 F HA 0.581 5.108 4.527 -0.001 0.000 0.315 411 F C -1.596 174.203 175.800 -0.002 0.000 1.109 411 F CA -0.239 57.699 58.000 -0.103 0.000 1.028 411 F CB 1.493 40.533 39.000 0.067 0.000 1.287 411 F HN 0.505 nan 8.300 nan 0.000 0.452 412 S N 4.600 119.807 115.700 -0.822 0.000 2.536 412 S HA 0.608 5.078 4.470 -0.001 0.000 0.287 412 S C -2.044 172.081 174.600 -0.792 0.000 1.101 412 S CA -0.625 57.197 58.200 -0.630 0.000 0.950 412 S CB 1.992 64.987 63.200 -0.341 0.000 1.056 412 S HN 0.643 nan 8.310 nan 0.000 0.481 413 Y N 0.988 120.899 120.300 -0.649 0.000 2.524 413 Y HA 0.613 5.162 4.550 -0.001 0.000 0.347 413 Y C -1.107 174.552 175.900 -0.402 0.000 1.005 413 Y CA -0.387 57.380 58.100 -0.554 0.000 1.025 413 Y CB 1.784 39.920 38.460 -0.541 0.000 1.275 413 Y HN 0.550 nan 8.280 nan 0.000 0.460 414 T N 6.541 120.382 114.554 -1.188 0.000 2.815 414 T HA 0.409 4.759 4.350 -0.001 0.000 0.289 414 T C -0.819 173.206 174.700 -1.126 0.000 1.000 414 T CA -0.402 61.192 62.100 -0.843 0.000 0.958 414 T CB 0.093 68.674 68.868 -0.479 0.000 0.944 414 T HN 0.411 nan 8.240 nan 0.000 0.442 415 F N 2.591 122.146 119.950 -0.658 0.000 2.490 415 F HA 0.228 4.755 4.527 -0.001 0.000 0.336 415 F C 1.530 177.147 175.800 -0.306 0.000 1.178 415 F CA -0.458 57.315 58.000 -0.378 0.000 1.301 415 F CB 0.572 39.424 39.000 -0.247 0.000 1.175 415 F HN 0.568 nan 8.300 nan 0.000 0.593 416 E N -0.155 120.044 120.200 -0.002 0.000 2.359 416 E HA 0.229 4.579 4.350 -0.001 0.000 0.255 416 E C -1.315 175.262 176.600 -0.039 0.000 1.191 416 E CA -0.964 55.414 56.400 -0.037 0.000 0.952 416 E CB 0.379 30.080 29.700 0.002 0.000 1.152 416 E HN 0.358 nan 8.360 nan 0.000 0.496 417 D N 0.637 121.008 120.400 -0.049 0.000 2.342 417 D HA 0.180 4.820 4.640 -0.001 0.000 0.260 417 D C -1.134 175.138 176.300 -0.046 0.000 1.278 417 D CA 0.201 54.163 54.000 -0.062 0.000 0.910 417 D CB 0.983 41.755 40.800 -0.047 0.000 1.079 417 D HN 0.218 nan 8.370 nan 0.000 0.496 418 V N 4.422 124.293 119.914 -0.072 0.000 2.577 418 V HA 0.444 4.564 4.120 -0.001 0.000 0.303 418 V C -2.453 173.634 176.094 -0.011 0.000 1.042 418 V CA -2.384 59.916 62.300 0.001 0.000 0.872 418 V CB 2.049 33.922 31.823 0.084 0.000 0.998 418 V HN 0.325 nan 8.190 nan 0.000 0.423 419 P HA 0.076 nan 4.420 nan 0.000 0.266 419 P C -0.522 176.870 177.300 0.154 0.000 1.186 419 P CA 0.333 63.481 63.100 0.080 0.000 0.767 419 P CB 0.101 31.854 31.700 0.090 0.000 0.820 420 F N 0.824 120.873 119.950 0.164 0.000 2.595 420 F HA 0.017 4.544 4.527 -0.001 0.000 0.359 420 F C 1.787 177.668 175.800 0.136 0.000 1.147 420 F CA 0.480 58.592 58.000 0.186 0.000 1.341 420 F CB -0.056 39.030 39.000 0.143 0.000 1.104 420 F HN 0.423 nan 8.300 nan 0.000 0.603 421 H N 0.895 120.037 119.070 0.119 0.000 2.679 421 H HA 0.198 4.754 4.556 -0.001 0.000 0.369 421 H C -0.367 174.964 175.328 0.006 0.000 1.178 421 H CA -0.435 55.526 56.048 -0.145 0.000 1.419 421 H CB 0.688 30.132 29.762 -0.530 0.000 1.458 421 H HN 0.471 nan 8.280 nan 0.000 0.605 422 S N 2.422 117.556 115.700 -0.945 0.000 2.416 422 S HA 0.084 4.554 4.470 -0.001 0.000 0.302 422 S C 0.125 174.419 174.600 -0.510 0.000 1.120 422 S CA -0.402 57.416 58.200 -0.636 0.000 1.067 422 S CB 0.306 62.968 63.200 -0.896 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 0.020 0.000 2.602 423 S HA 0.256 4.726 4.470 -0.001 0.000 0.246 423 S C -0.183 174.496 174.600 0.132 0.000 1.009 423 S CA -0.554 57.731 58.200 0.142 0.000 1.052 423 S CB -0.507 62.864 63.200 0.286 0.000 0.778 423 S HN 0.806 nan 8.310 nan 0.000 0.455 424 Y N -1.707 118.471 120.300 -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 -1.886 56.022 58.100 -0.320 0.000 1.068 424 Y CB 0.735 38.801 38.460 -0.657 0.000 1.294 424 Y HN -0.057 nan 8.280 nan 0.000 0.480 425 A N 1.093 123.759 122.820 -0.256 0.000 2.414 425 A HA 0.539 4.859 4.320 -0.001 0.000 0.306 425 A C -1.501 175.964 177.584 -0.199 0.000 1.054 425 A CA -0.889 50.965 52.037 -0.304 0.000 0.724 425 A CB 0.680 19.587 19.000 -0.155 0.000 1.267 425 A HN 0.844 nan 8.150 nan 0.000 0.418 426 H N 1.802 120.849 119.070 -0.038 0.000 2.764 426 H HA 0.123 4.679 4.556 -0.001 0.000 0.341 426 H C 1.361 176.685 175.328 -0.008 0.000 1.072 426 H CA 1.001 57.049 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 0.784 nan 8.280 nan 0.000 0.572 427 S N 2.206 117.977 115.700 0.118 0.000 2.558 427 S HA 0.039 4.509 4.470 -0.001 0.000 0.217 427 S C 0.581 175.223 174.600 0.069 0.000 0.975 427 S CA -0.088 58.158 58.200 0.076 0.000 0.912 427 S CB 0.487 63.727 63.200 0.067 0.000 0.776 427 S HN 0.595 nan 8.310 nan 0.000 0.526 428 Q N 0.385 120.232 119.800 0.078 0.000 2.486 428 Q HA 0.661 5.001 4.340 -0.001 0.000 0.274 428 Q C -1.132 174.885 176.000 0.028 0.000 1.076 428 Q CA -0.803 55.026 55.803 0.042 0.000 0.872 428 Q CB 1.904 30.658 28.738 0.026 0.000 1.383 428 Q HN 0.264 nan 8.270 nan 0.000 0.478 429 S N -0.372 115.334 115.700 0.008 0.000 2.526 429 S HA 0.325 4.795 4.470 -0.001 0.000 0.293 429 S C 0.687 175.281 174.600 -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 2.303 123.517 121.223 -0.015 0.000 2.137 430 L HA -0.167 4.172 4.340 -0.001 0.000 0.213 430 L C 1.920 178.808 176.870 0.030 0.000 1.085 430 L CA 2.068 56.916 54.840 0.015 0.000 0.760 430 L CB -0.225 41.849 42.059 0.025 0.000 0.893 430 L HN 0.819 nan 8.230 nan 0.000 0.434 431 D N -1.631 118.772 120.400 0.005 0.000 2.355 431 D HA -0.081 4.559 4.640 -0.001 0.000 0.206 431 D C 0.880 177.174 176.300 -0.011 0.000 1.010 431 D CA 0.132 54.127 54.000 -0.008 0.000 0.875 431 D CB 0.032 40.817 40.800 -0.025 0.000 0.966 431 D HN 0.152 nan 8.370 nan 0.000 0.512 432 R N 1.172 121.669 120.500 -0.004 0.000 4.017 432 R HA 0.236 4.575 4.340 -0.001 0.000 0.272 432 R C 0.555 176.858 176.300 0.006 0.000 1.516 432 R CA -0.272 55.826 56.100 -0.003 0.000 1.519 432 R CB 0.448 30.748 30.300 0.000 0.000 1.422 432 R HN 0.199 nan 8.270 nan 0.000 0.719 433 L N 0.483 121.711 121.223 0.009 0.000 2.609 433 L HA 0.224 4.564 4.340 -0.001 0.000 0.230 433 L C 0.349 177.230 176.870 0.017 0.000 1.064 433 L CA 0.853 55.708 54.840 0.024 0.000 0.873 433 L CB 0.140 42.230 42.059 0.053 0.000 1.139 433 L HN 0.196 nan 8.230 nan 0.000 0.490 434 M N -0.874 118.726 119.600 -0.001 0.000 2.116 434 M HA 0.269 4.749 4.480 -0.001 0.000 0.235 434 M C 0.418 176.714 176.300 -0.008 0.000 1.193 434 M CA -0.369 54.924 55.300 -0.011 0.000 0.959 434 M CB -0.807 31.772 32.600 -0.036 0.000 1.313 434 M HN -0.140 nan 8.290 nan 0.000 0.530 435 N N 0.767 119.459 118.700 -0.013 0.000 2.408 435 N HA 0.301 5.040 4.740 -0.001 0.000 0.257 435 N C -2.150 173.353 175.510 -0.012 0.000 1.064 435 N CA -1.703 51.342 53.050 -0.008 0.000 0.952 435 N CB 0.703 39.186 38.487 -0.005 0.000 1.093 435 N HN 0.345 nan 8.380 nan 0.000 0.490 436 P HA -0.020 nan 4.420 nan 0.000 0.225 436 P C 0.813 178.109 177.300 -0.007 0.000 1.148 436 P CA 0.642 63.737 63.100 -0.008 0.000 0.779 436 P CB 0.488 32.186 31.700 -0.003 0.000 0.780 437 L N -2.123 119.096 121.223 -0.005 0.000 2.470 437 L HA 0.141 4.480 4.340 -0.001 0.000 0.219 437 L C 1.022 177.890 176.870 -0.003 0.000 1.071 437 L CA 0.684 55.522 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 -0.679 119.887 120.570 -0.006 0.000 2.607 438 I HA 0.308 4.478 4.170 -0.001 0.000 0.305 438 I C -0.526 175.580 176.117 -0.019 0.000 0.995 438 I CA -0.838 60.459 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 2.943 123.332 120.400 -0.019 0.000 2.253 439 D HA 0.370 5.010 4.640 -0.001 0.000 0.249 439 D C 0.189 176.450 176.300 -0.064 0.000 1.049 439 D CA -0.346 53.630 54.000 -0.040 0.000 0.929 439 D CB 0.850 41.629 40.800 -0.036 0.000 1.176 439 D HN 0.351 nan 8.370 nan 0.000 0.437 440 Q N 0.131 119.860 119.800 -0.118 0.000 2.500 440 Q HA 0.165 4.505 4.340 -0.001 0.000 0.215 440 Q C 0.133 176.033 176.000 -0.165 0.000 1.062 440 Q CA -0.216 55.457 55.803 -0.217 0.000 0.996 440 Q CB 0.463 29.042 28.738 -0.266 0.000 1.239 440 Q HN 0.692 nan 8.270 nan 0.000 0.578 441 Y N -2.018 118.247 120.300 -0.058 0.000 2.531 441 Y HA 0.433 4.983 4.550 -0.001 0.000 0.249 441 Y C -0.185 175.707 175.900 -0.013 0.000 1.168 441 Y CA -0.510 57.568 58.100 -0.037 0.000 1.226 441 Y CB 0.379 38.847 38.460 0.013 0.000 1.177 441 Y HN 0.173 nan 8.280 nan 0.000 0.527 442 L N 0.984 122.161 121.223 -0.076 0.000 2.360 442 L HA 0.430 4.769 4.340 -0.001 0.000 0.271 442 L C -1.088 175.752 176.870 -0.049 0.000 1.057 442 L CA -1.042 53.827 54.840 0.049 0.000 0.803 442 L CB 1.087 43.124 42.059 -0.036 0.000 1.207 442 L HN 0.085 nan 8.230 nan 0.000 0.445 443 Y N 0.403 120.745 120.300 0.070 0.000 2.468 443 Y HA 0.468 5.018 4.550 -0.001 0.000 0.342 443 Y C -0.410 175.577 175.900 0.145 0.000 1.021 443 Y CA -0.618 57.514 58.100 0.054 0.000 1.079 443 Y CB 1.850 40.291 38.460 -0.032 0.000 1.226 443 Y HN 0.393 nan 8.280 nan 0.000 0.460 444 Y N 0.438 120.886 120.300 0.248 0.000 2.602 444 Y HA 0.728 5.278 4.550 -0.001 0.000 0.342 444 Y C -1.629 174.481 175.900 0.351 0.000 1.029 444 Y CA -1.868 56.371 58.100 0.232 0.000 1.080 444 Y CB 1.148 39.670 38.460 0.103 0.000 1.284 444 Y HN 0.545 nan 8.280 nan 0.000 0.485 445 L N 3.247 124.721 121.223 0.419 0.000 2.257 445 L HA 0.411 4.750 4.340 -0.001 0.000 0.290 445 L C -0.036 176.913 176.870 0.132 0.000 1.044 445 L CA -0.079 54.844 54.840 0.139 0.000 0.810 445 L CB 0.588 42.700 42.059 0.089 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 0.005 0.000 2.210 446 N HA 0.164 4.903 4.740 -0.001 0.000 0.203 446 N C -0.383 175.124 175.510 -0.005 0.000 1.175 446 N CA -0.659 52.452 53.050 0.101 0.000 0.894 446 N CB 0.584 39.210 38.487 0.232 0.000 1.041 446 N HN 0.334 nan 8.380 nan 0.000 0.506 447 R N 1.052 121.491 120.500 -0.102 0.000 2.476 447 R HA 0.258 4.597 4.340 -0.001 0.000 0.305 447 R C 0.074 176.289 176.300 -0.141 0.000 0.965 447 R CA -0.318 55.721 56.100 -0.101 0.000 0.867 447 R CB 1.487 31.727 30.300 -0.100 0.000 1.176 447 R HN 0.236 nan 8.270 nan 0.000 0.447 448 T N -1.544 112.956 114.554 -0.090 0.000 3.042 448 T HA -0.063 4.287 4.350 -0.001 0.000 0.245 448 T C 1.302 175.961 174.700 -0.068 0.000 1.029 448 T CA 0.491 62.539 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 1.067 120.836 119.800 -0.052 0.000 2.577 449 Q HA 0.360 4.700 4.340 -0.001 0.000 0.242 449 Q C 1.511 177.488 176.000 -0.038 0.000 0.818 449 Q CA -0.014 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 1.743 110.522 108.800 -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 45.939 45.100 -0.028 0.000 1.080 450 G HN 0.370 nan 8.290 nan 0.000 0.405 451 T N 0.735 115.273 114.554 -0.026 0.000 2.551 451 T HA 0.332 4.682 4.350 -0.001 0.000 0.249 451 T C 0.673 175.363 174.700 -0.017 0.000 0.851 451 T CA -0.578 61.507 62.100 -0.025 0.000 1.149 451 T CB 0.608 69.460 68.868 -0.027 0.000 1.456 451 T HN 0.184 nan 8.240 nan 0.000 0.514 452 T N 2.855 117.400 114.554 -0.015 0.000 3.826 452 T HA 0.120 4.470 4.350 -0.001 0.000 0.239 452 T C 0.623 175.317 174.700 -0.010 0.000 1.007 452 T CA 0.149 62.243 62.100 -0.011 0.000 1.171 452 T CB -0.654 68.209 68.868 -0.009 0.000 1.153 452 T HN 0.532 nan 8.240 nan 0.000 0.854 453 S N 2.609 118.303 115.700 -0.010 0.000 3.829 453 S HA 0.349 4.818 4.470 -0.001 0.000 0.250 453 S C 1.246 175.842 174.600 -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 62.551 63.200 -0.009 0.000 1.611 453 S HN 0.811 nan 8.310 nan 0.000 0.483 454 G N 2.007 110.803 108.800 -0.007 0.000 2.449 454 G HA2 0.293 4.253 3.960 -0.001 0.000 0.192 454 G HA3 0.293 4.253 3.960 -0.001 0.000 0.192 454 G C -0.223 174.674 174.900 -0.006 0.000 1.776 454 G CA -0.120 44.976 45.100 -0.006 0.000 0.699 454 G HN 0.512 nan 8.290 nan 0.000 0.745 455 T N 1.581 116.132 114.554 -0.005 0.000 2.824 455 T HA 0.475 4.825 4.350 -0.001 0.000 0.280 455 T C 0.285 174.982 174.700 -0.006 0.000 0.995 455 T CA 0.557 62.654 62.100 -0.005 0.000 1.009 455 T CB 1.252 70.117 68.868 -0.004 0.000 0.955 455 T HN 0.509 nan 8.240 nan 0.000 0.452 456 T N 3.278 117.829 114.554 -0.006 0.000 3.935 456 T HA -0.173 4.176 4.350 -0.001 0.000 0.346 456 T C 0.161 174.856 174.700 -0.008 0.000 0.758 456 T CA 0.579 62.675 62.100 -0.006 0.000 1.874 456 T CB -1.236 67.628 68.868 -0.005 0.000 1.875 456 T HN 0.618 nan 8.240 nan 0.000 0.802 457 N N 1.679 120.374 118.700 -0.009 0.000 2.851 457 N HA 0.126 4.866 4.740 -0.001 0.000 0.248 457 N C 1.424 176.926 175.510 -0.012 0.000 1.221 457 N CA -0.459 52.584 53.050 -0.011 0.000 0.847 457 N CB 1.287 39.767 38.487 -0.012 0.000 1.150 457 N HN 0.534 nan 8.380 nan 0.000 0.507 458 Q N 0.278 120.071 119.800 -0.012 0.000 2.036 458 Q HA 0.042 4.382 4.340 -0.001 0.000 0.195 458 Q C 0.327 176.316 176.000 -0.017 0.000 0.971 458 Q CA 0.843 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 -1.046 114.642 115.700 -0.020 0.000 2.596 459 S HA 0.787 5.256 4.470 -0.001 0.000 0.270 459 S C -1.018 173.562 174.600 -0.032 0.000 1.155 459 S CA -1.007 57.177 58.200 -0.027 0.000 0.827 459 S CB 3.082 66.267 63.200 -0.025 0.000 1.130 459 S HN 0.423 nan 8.310 nan 0.000 0.467 460 R N 0.214 120.685 120.500 -0.048 0.000 2.687 460 R HA 0.414 4.754 4.340 -0.001 0.000 0.265 460 R C -2.097 174.140 176.300 -0.105 0.000 1.048 460 R CA -0.769 55.296 56.100 -0.058 0.000 0.884 460 R CB 1.008 31.278 30.300 -0.050 0.000 1.258 460 R HN 0.781 nan 8.270 nan 0.000 0.469 461 L N 5.140 126.290 121.223 -0.123 0.000 2.259 461 L HA 0.450 4.790 4.340 -0.001 0.000 0.288 461 L C -0.675 175.946 176.870 -0.415 0.000 1.051 461 L CA -0.432 54.250 54.840 -0.264 0.000 0.824 461 L CB 0.847 42.814 42.059 -0.154 0.000 1.206 461 L HN 0.345 nan 8.230 nan 0.000 0.429 462 L N 3.666 124.560 121.223 -0.548 0.000 2.365 462 L HA 0.590 4.930 4.340 -0.001 0.000 0.273 462 L C -0.921 175.562 176.870 -0.644 0.000 1.000 462 L CA -0.459 54.117 54.840 -0.440 0.000 0.819 462 L CB 1.966 43.907 42.059 -0.198 0.000 1.284 462 L HN 0.303 nan 8.230 nan 0.000 0.418 463 F N 0.301 120.214 119.950 -0.060 0.000 2.520 463 F HA 0.518 5.044 4.527 -0.001 0.000 0.322 463 F C 0.317 176.069 175.800 -0.081 0.000 1.103 463 F CA -0.527 57.423 58.000 -0.083 0.000 0.926 463 F CB 2.229 41.204 39.000 -0.042 0.000 1.154 463 F HN 0.265 nan 8.300 nan 0.000 0.453 464 S N 1.569 117.161 115.700 -0.180 0.000 2.503 464 S HA 0.308 4.777 4.470 -0.001 0.000 0.301 464 S C -0.824 173.513 174.600 -0.439 0.000 1.087 464 S CA -0.802 57.227 58.200 -0.284 0.000 1.042 464 S CB 1.664 64.616 63.200 -0.414 0.000 1.043 464 S HN 0.658 nan 8.310 nan 0.000 0.489 465 Q N 2.386 121.967 119.800 -0.365 0.000 2.286 465 Q HA 0.529 4.868 4.340 -0.001 0.000 0.257 465 Q C -0.178 175.701 176.000 -0.202 0.000 0.941 465 Q CA -0.707 54.651 55.803 -0.741 0.000 0.912 465 Q CB 0.787 28.966 28.738 -0.930 0.000 1.192 465 Q HN 0.759 nan 8.270 nan 0.000 0.410 466 A N 3.166 125.962 122.820 -0.040 0.000 2.565 466 A HA 0.460 4.779 4.320 -0.001 0.000 0.237 466 A C 0.314 177.899 177.584 0.002 0.000 1.053 466 A CA 0.764 52.872 52.037 0.119 0.000 0.755 466 A CB 0.039 19.049 19.000 0.015 0.000 0.980 466 A HN 0.863 nan 8.150 nan 0.000 0.506 467 G N 1.150 109.968 108.800 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 0.302 nan 8.290 nan 0.000 0.474 468 P HA -0.108 nan 4.420 nan 0.000 0.221 468 P C 1.577 178.869 177.300 -0.012 0.000 1.145 468 P CA 1.118 64.208 63.100 -0.017 0.000 0.795 468 P CB 0.332 32.025 31.700 -0.011 0.000 0.775 469 Q N -0.250 119.549 119.800 -0.002 0.000 1.994 469 Q HA -0.044 4.296 4.340 -0.001 0.000 0.198 469 Q C 1.332 177.332 176.000 -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 0.337 116.043 115.700 0.009 0.000 3.864 470 S HA 0.130 4.599 4.470 -0.001 0.000 0.202 470 S C 0.994 175.545 174.600 -0.082 0.000 1.402 470 S CA -0.205 57.984 58.200 -0.019 0.000 1.072 470 S CB -0.177 63.051 63.200 0.046 0.000 1.383 470 S HN 0.246 nan 8.310 nan 0.000 0.458 471 M N 2.110 121.673 119.600 -0.062 0.000 2.319 471 M HA -0.061 4.418 4.480 -0.001 0.000 0.265 471 M C 1.636 177.882 176.300 -0.090 0.000 1.068 471 M CA 1.352 56.612 55.300 -0.067 0.000 1.118 471 M CB -0.041 32.534 32.600 -0.043 0.000 1.395 471 M HN 0.684 nan 8.290 nan 0.000 0.435 472 S N -1.143 114.496 115.700 -0.101 0.000 2.574 472 S HA 0.260 4.730 4.470 -0.001 0.000 0.242 472 S C 0.839 175.342 174.600 -0.162 0.000 0.982 472 S CA -0.544 57.590 58.200 -0.109 0.000 0.977 472 S CB -0.158 62.993 63.200 -0.081 0.000 0.814 472 S HN 0.545 nan 8.310 nan 0.000 0.464 473 L N -0.227 120.848 121.223 -0.247 0.000 2.840 473 L HA 0.314 4.654 4.340 -0.001 0.000 0.249 473 L C 0.634 177.219 176.870 -0.474 0.000 1.119 473 L CA -0.230 54.357 54.840 -0.422 0.000 0.930 473 L CB 0.098 41.750 42.059 -0.677 0.000 1.295 473 L HN 0.265 nan 8.230 nan 0.000 0.534 474 Q N 1.348 120.959 119.800 -0.315 0.000 2.428 474 Q HA 0.278 4.617 4.340 -0.001 0.000 0.276 474 Q C 0.508 176.410 176.000 -0.164 0.000 1.059 474 Q CA -0.093 55.579 55.803 -0.218 0.000 0.923 474 Q CB 0.837 29.487 28.738 -0.146 0.000 1.283 474 Q HN 0.274 nan 8.270 nan 0.000 0.447 475 A N 2.074 124.821 122.820 -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 0.263 52.238 52.037 -0.103 0.000 0.760 475 A CB 0.282 19.228 19.000 -0.090 0.000 0.995 475 A HN 0.604 nan 8.150 nan 0.000 0.501 476 R N 0.324 120.751 120.500 -0.123 0.000 2.892 476 R HA 0.483 4.823 4.340 -0.001 0.000 0.265 476 R C 0.347 176.509 176.300 -0.230 0.000 1.025 476 R CA -0.604 55.410 56.100 -0.142 0.000 0.982 476 R CB 1.043 31.288 30.300 -0.092 0.000 1.185 476 R HN 0.732 nan 8.270 nan 0.000 0.484 477 N N -0.449 118.028 118.700 -0.371 0.000 2.332 477 N HA 0.174 4.914 4.740 -0.001 0.000 0.190 477 N C -0.967 173.995 175.510 -0.913 0.000 1.117 477 N CA 0.345 52.925 53.050 -0.783 0.000 0.883 477 N CB 0.473 38.270 38.487 -1.150 0.000 1.089 477 N HN 0.361 nan 8.380 nan 0.000 0.480 478 W N 0.163 121.465 121.300 0.004 0.000 3.029 478 W HA 0.590 5.250 4.660 -0.001 0.000 0.339 478 W C -0.609 175.927 176.519 0.027 0.000 1.198 478 W CA -0.817 56.540 57.345 0.019 0.000 1.148 478 W CB 0.831 30.295 29.460 0.007 0.000 1.451 478 W HN -0.354 nan 8.180 nan 0.000 0.564 479 L N 1.939 123.355 121.223 0.323 0.000 2.322 479 L HA 0.626 4.965 4.340 -0.001 0.000 0.269 479 L C -2.103 174.894 176.870 0.213 0.000 1.012 479 L CA -2.806 52.164 54.840 0.217 0.000 0.815 479 L CB 0.576 42.766 42.059 0.218 0.000 1.295 479 L HN 0.049 nan 8.230 nan 0.000 0.438 480 P HA 0.223 nan 4.420 nan 0.000 0.275 480 P C -0.069 177.378 177.300 0.245 0.000 1.266 480 P CA -0.345 62.850 63.100 0.158 0.000 0.793 480 P CB 0.442 32.178 31.700 0.061 0.000 1.074 481 G N 0.594 109.539 108.800 0.241 0.000 2.683 481 G HA2 0.301 4.260 3.960 -0.001 0.000 0.260 481 G HA3 0.301 4.260 3.960 -0.001 0.000 0.260 481 G C -2.297 172.651 174.900 0.079 0.000 1.238 481 G CA -0.931 44.274 45.100 0.175 0.000 0.934 481 G HN 0.363 nan 8.290 nan 0.000 0.534 482 P HA 0.262 nan 4.420 nan 0.000 0.274 482 P C -0.040 177.201 177.300 -0.099 0.000 1.260 482 P CA -0.112 62.865 63.100 -0.204 0.000 0.793 482 P CB 0.829 32.315 31.700 -0.358 0.000 1.048 483 C N -0.805 118.424 119.300 -0.118 0.000 3.239 483 C HA 0.694 5.153 4.460 -0.001 0.000 0.317 483 C C -1.677 173.346 174.990 0.056 0.000 1.310 483 C CA -0.732 58.288 59.018 0.003 0.000 1.371 483 C CB 0.696 28.502 27.740 0.110 0.000 1.714 483 C HN 0.618 nan 8.230 nan 0.000 0.473 484 Y N 1.929 122.199 120.300 -0.049 0.000 2.484 484 Y HA 0.484 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 3.691 124.103 120.500 -0.146 0.000 2.500 485 R HA -0.001 4.338 4.340 -0.001 0.000 0.281 485 R C -0.384 175.870 176.300 -0.077 0.000 0.953 485 R CA 0.788 56.832 56.100 -0.093 0.000 1.108 485 R CB 0.502 30.730 30.300 -0.120 0.000 0.901 485 R HN 0.614 nan 8.270 nan 0.000 0.410 486 Q N 2.159 121.940 119.800 -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 -0.858 54.913 55.803 -0.055 0.000 0.885 486 Q CB 1.627 30.319 28.738 -0.076 0.000 1.311 486 Q HN 0.505 nan 8.270 nan 0.000 0.461 487 Q N 1.139 120.895 119.800 -0.074 0.000 2.340 487 Q HA 0.152 4.491 4.340 -0.001 0.000 0.249 487 Q C -0.816 175.150 176.000 -0.058 0.000 0.957 487 Q CA 0.161 55.946 55.803 -0.031 0.000 0.882 487 Q CB 0.764 29.541 28.738 0.065 0.000 1.235 487 Q HN 0.381 nan 8.270 nan 0.000 0.439 488 R N 3.002 123.476 120.500 -0.043 0.000 2.308 488 R HA 0.446 4.786 4.340 -0.001 0.000 0.305 488 R C -1.187 175.096 176.300 -0.029 0.000 1.053 488 R CA -0.449 55.616 56.100 -0.058 0.000 0.957 488 R CB 0.358 30.601 30.300 -0.095 0.000 1.022 488 R HN 0.526 nan 8.270 nan 0.000 0.461 489 L N 1.773 122.886 121.223 -0.184 0.000 2.341 489 L HA 0.434 4.773 4.340 -0.001 0.000 0.267 489 L C -0.250 176.514 176.870 -0.175 0.000 1.009 489 L CA -0.184 54.485 54.840 -0.284 0.000 0.819 489 L CB 2.020 43.579 42.059 -0.833 0.000 1.323 489 L HN 0.574 nan 8.230 nan 0.000 0.425 490 S N 0.096 115.762 115.700 -0.057 0.000 2.537 490 S HA 0.456 4.925 4.470 -0.001 0.000 0.301 490 S C 0.742 175.341 174.600 -0.002 0.000 1.092 490 S CA -0.570 57.521 58.200 -0.182 0.000 1.048 490 S CB 1.107 64.141 63.200 -0.277 0.000 1.053 490 S HN 0.641 nan 8.310 nan 0.000 0.501 491 K N 1.110 121.514 120.400 0.007 0.000 2.296 491 K HA 0.032 4.351 4.320 -0.001 0.000 0.200 491 K C 0.194 176.801 176.600 0.012 0.000 1.048 491 K CA 0.729 57.068 56.287 0.086 0.000 0.966 491 K CB -0.202 32.318 32.500 0.033 0.000 0.754 491 K HN 0.541 nan 8.250 nan 0.000 0.466 492 T N 1.751 116.276 114.554 -0.048 0.000 2.727 492 T HA 0.215 4.564 4.350 -0.001 0.000 0.295 492 T C 0.495 175.195 174.700 -0.000 0.000 0.915 492 T CA -0.366 61.714 62.100 -0.033 0.000 1.066 492 T CB 1.297 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 0.069 4.389 4.320 -0.001 0.000 0.226 493 A C 1.516 179.122 177.584 0.036 0.000 1.402 493 A CA -0.088 51.971 52.037 0.037 0.000 1.288 493 A CB -0.800 18.221 19.000 0.035 0.000 0.833 493 A HN 0.956 nan 8.150 nan 0.000 0.564 494 N N -2.553 116.165 118.700 0.030 0.000 1.952 494 N HA -0.033 4.706 4.740 -0.001 0.000 0.228 494 N C -0.517 175.014 175.510 0.036 0.000 1.398 494 N CA 0.180 53.248 53.050 0.031 0.000 0.817 494 N CB 0.112 38.610 38.487 0.019 0.000 1.101 494 N HN 0.141 nan 8.380 nan 0.000 0.498 495 D N 0.854 121.278 120.400 0.041 0.000 2.323 495 D HA 0.092 4.731 4.640 -0.001 0.000 0.209 495 D C 0.096 176.446 176.300 0.083 0.000 0.973 495 D CA 0.539 54.578 54.000 0.066 0.000 0.874 495 D CB 0.051 40.898 40.800 0.078 0.000 0.930 495 D HN 0.251 nan 8.370 nan 0.000 0.521 496 N N 1.059 119.811 118.700 0.087 0.000 2.463 496 N HA 0.033 4.773 4.740 -0.001 0.000 0.270 496 N C 0.069 175.615 175.510 0.060 0.000 1.205 496 N CA -0.332 52.782 53.050 0.106 0.000 0.974 496 N CB 0.441 39.039 38.487 0.185 0.000 1.197 496 N HN -0.001 nan 8.380 nan 0.000 0.504 497 N N 0.753 119.451 118.700 -0.003 0.000 2.492 497 N HA -0.099 4.641 4.740 -0.001 0.000 0.262 497 N C -0.165 175.364 175.510 0.033 0.000 1.202 497 N CA 0.278 53.290 53.050 -0.063 0.000 0.926 497 N CB 0.139 38.469 38.487 -0.261 0.000 1.078 497 N HN 0.471 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 -0.845 174.706 175.510 0.068 0.000 1.291 498 N CA -0.276 52.807 53.050 0.054 0.000 1.202 498 N CB -0.031 38.475 38.487 0.032 0.000 1.475 498 N HN 0.475 nan 8.380 nan 0.000 0.554 499 S N 0.035 115.810 115.700 0.124 0.000 2.661 499 S HA 0.294 4.764 4.470 -0.001 0.000 0.285 499 S C -0.773 174.021 174.600 0.324 0.000 1.138 499 S CA -1.076 57.222 58.200 0.164 0.000 0.855 499 S CB 1.604 64.860 63.200 0.094 0.000 1.136 499 S HN 0.240 nan 8.310 nan 0.000 0.484 500 N N 0.743 119.599 118.700 0.259 0.000 2.699 500 N HA 0.420 5.160 4.740 -0.001 0.000 0.232 500 N C -0.602 175.063 175.510 0.258 0.000 1.027 500 N CA -1.037 52.140 53.050 0.212 0.000 0.920 500 N CB -0.286 38.266 38.487 0.110 0.000 1.148 500 N HN 0.678 nan 8.380 nan 0.000 0.509 501 F N 1.161 121.152 119.950 0.069 0.000 2.791 501 F HA 0.573 5.100 4.527 -0.001 0.000 0.308 501 F C -1.842 174.021 175.800 0.105 0.000 1.138 501 F CA -1.608 56.438 58.000 0.077 0.000 1.294 501 F CB 0.667 39.690 39.000 0.039 0.000 0.975 501 F HN 0.190 nan 8.300 nan 0.000 0.512 502 P HA -0.076 nan 4.420 nan 0.000 0.242 502 P C 0.778 178.184 177.300 0.178 0.000 1.197 502 P CA 1.106 64.159 63.100 -0.077 0.000 0.765 502 P CB -0.053 31.614 31.700 -0.056 0.000 0.936 503 W N -0.283 121.022 121.300 0.009 0.000 3.792 503 W HA 0.021 4.680 4.660 -0.001 0.000 0.217 503 W C 0.910 177.464 176.519 0.057 0.000 1.098 503 W CA 0.844 58.204 57.345 0.025 0.000 1.657 503 W CB -0.116 29.343 29.460 -0.000 0.000 0.773 503 W HN -0.099 nan 8.180 nan 0.000 0.836 504 T N -0.483 114.130 114.554 0.099 0.000 3.055 504 T HA 0.222 4.572 4.350 -0.001 0.000 0.265 504 T C 1.354 176.050 174.700 -0.007 0.000 1.111 504 T CA 1.132 63.229 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 0.087 nan 8.240 nan 0.000 0.501 505 A N 0.233 123.107 122.820 0.090 0.000 2.545 505 A HA 0.835 5.154 4.320 -0.001 0.000 0.263 505 A C 0.997 178.646 177.584 0.109 0.000 1.202 505 A CA -0.074 52.037 52.037 0.124 0.000 0.959 505 A CB 0.097 19.263 19.000 0.276 0.000 1.124 505 A HN 0.633 nan 8.150 nan 0.000 0.543 506 A N -0.009 122.847 122.820 0.060 0.000 2.279 506 A HA 0.671 4.990 4.320 -0.001 0.000 0.303 506 A C 0.376 177.997 177.584 0.061 0.000 1.108 506 A CA -0.245 51.856 52.037 0.106 0.000 0.830 506 A CB 0.381 19.525 19.000 0.241 0.000 1.106 506 A HN 0.239 nan 8.150 nan 0.000 0.493 507 S N 0.790 116.581 115.700 0.152 0.000 2.549 507 S HA 0.453 4.922 4.470 -0.001 0.000 0.279 507 S C 0.006 174.736 174.600 0.216 0.000 1.321 507 S CA -0.221 58.099 58.200 0.198 0.000 1.054 507 S CB 0.173 63.553 63.200 0.300 0.000 0.899 507 S HN 0.668 nan 8.310 nan 0.000 0.497 508 K N 1.140 121.644 120.400 0.175 0.000 2.571 508 K HA 0.581 4.900 4.320 -0.001 0.000 0.289 508 K C -1.611 175.075 176.600 0.144 0.000 1.028 508 K CA -1.049 55.261 56.287 0.039 0.000 0.895 508 K CB 1.159 33.526 32.500 -0.222 0.000 1.534 508 K HN 0.582 nan 8.250 nan 0.000 0.421 509 Y N -1.675 118.650 120.300 0.041 0.000 2.638 509 Y HA 0.620 5.170 4.550 -0.001 0.000 0.339 509 Y C -1.096 174.878 175.900 0.123 0.000 1.084 509 Y CA -1.062 57.073 58.100 0.059 0.000 1.068 509 Y CB 1.641 40.084 38.460 -0.028 0.000 1.294 509 Y HN 0.749 nan 8.280 nan 0.000 0.480 510 H N 1.958 121.182 119.070 0.257 0.000 2.877 510 H HA 0.549 5.105 4.556 -0.001 0.000 0.347 510 H C -2.365 173.100 175.328 0.229 0.000 1.042 510 H CA -1.049 55.092 56.048 0.154 0.000 1.276 510 H CB 1.574 31.380 29.762 0.073 0.000 1.681 510 H HN 0.880 nan 8.280 nan 0.000 0.521 511 L N 4.178 125.486 121.223 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 -0.644 54.235 54.840 0.065 0.000 0.819 511 L CB 1.071 43.228 42.059 0.164 0.000 1.227 511 L HN 0.866 nan 8.230 nan 0.000 0.417 512 N N 3.172 121.923 118.700 0.084 0.000 2.758 512 N HA -0.174 4.566 4.740 -0.001 0.000 0.248 512 N C 0.640 176.266 175.510 0.194 0.000 1.076 512 N CA 1.114 54.239 53.050 0.125 0.000 0.696 512 N CB -0.768 37.781 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 -0.106 174.929 174.900 0.224 0.000 1.047 513 G CA 0.595 45.874 45.100 0.299 0.000 0.869 513 G HN 0.750 nan 8.290 nan 0.000 0.502 514 R N 0.398 121.065 120.500 0.278 0.000 2.507 514 R HA 0.279 4.619 4.340 -0.001 0.000 0.298 514 R C -1.117 175.294 176.300 0.185 0.000 1.087 514 R CA -0.835 55.384 56.100 0.197 0.000 0.917 514 R CB 0.792 31.194 30.300 0.169 0.000 1.173 514 R HN 0.133 nan 8.270 nan 0.000 0.472 515 D N 1.968 122.472 120.400 0.173 0.000 2.417 515 D HA 0.097 4.737 4.640 -0.001 0.000 0.250 515 D C -0.607 175.726 176.300 0.054 0.000 1.166 515 D CA 0.806 54.873 54.000 0.112 0.000 0.881 515 D CB 1.545 42.436 40.800 0.151 0.000 1.164 515 D HN 0.334 nan 8.370 nan 0.000 0.467 516 S N 1.630 117.153 115.700 -0.295 0.000 2.521 516 S HA 0.301 4.771 4.470 -0.001 0.000 0.295 516 S C -0.377 173.952 174.600 -0.451 0.000 1.098 516 S CA -0.763 57.189 58.200 -0.413 0.000 0.999 516 S CB 1.813 64.573 63.200 -0.732 0.000 1.034 516 S HN 0.295 nan 8.310 nan 0.000 0.483 517 L N 4.050 125.181 121.223 -0.152 0.000 2.418 517 L HA 0.308 4.648 4.340 -0.001 0.000 0.274 517 L C -0.241 176.573 176.870 -0.094 0.000 1.135 517 L CA 0.177 54.941 54.840 -0.127 0.000 0.870 517 L CB 0.530 42.534 42.059 -0.091 0.000 1.154 517 L HN 0.505 nan 8.230 nan 0.000 0.462 518 V N 6.864 126.791 119.914 0.022 0.000 2.054 518 V HA -0.003 4.117 4.120 -0.001 0.000 0.243 518 V C 1.369 177.557 176.094 0.156 0.000 1.480 518 V CA 0.119 62.515 62.300 0.159 0.000 1.440 518 V CB -0.959 30.981 31.823 0.195 0.000 1.489 518 V HN 0.914 nan 8.190 nan 0.000 0.502 519 N N 5.271 123.984 118.700 0.021 0.000 2.030 519 N HA -0.027 4.713 4.740 -0.001 0.000 0.194 519 N C -1.897 173.769 175.510 0.259 0.000 1.074 519 N CA 1.078 54.153 53.050 0.042 0.000 0.860 519 N CB -0.435 38.025 38.487 -0.046 0.000 1.055 519 N HN 0.357 nan 8.380 nan 0.000 0.429 520 P HA 0.277 nan 4.420 nan 0.000 0.291 520 P C -0.454 176.922 177.300 0.127 0.000 1.340 520 P CA -0.347 62.842 63.100 0.148 0.000 0.799 520 P CB 1.219 32.985 31.700 0.110 0.000 0.917 521 G N 4.837 113.718 108.800 0.135 0.000 2.509 521 G HA2 0.417 4.376 3.960 -0.001 0.000 0.269 521 G HA3 0.417 4.376 3.960 -0.001 0.000 0.269 521 G C -2.418 172.518 174.900 0.061 0.000 1.416 521 G CA -1.670 43.480 45.100 0.085 0.000 1.052 521 G HN 0.243 nan 8.290 nan 0.000 0.542 522 P HA 0.215 nan 4.420 nan 0.000 0.269 522 P C -0.152 177.171 177.300 0.039 0.000 1.205 522 P CA 0.161 63.259 63.100 -0.004 0.000 0.780 522 P CB 0.321 31.984 31.700 -0.061 0.000 0.858 523 A N 3.469 126.316 122.820 0.045 0.000 2.496 523 A HA 0.308 4.627 4.320 -0.001 0.000 0.278 523 A C 0.112 177.740 177.584 0.074 0.000 1.137 523 A CA 0.508 52.598 52.037 0.088 0.000 0.805 523 A CB -1.035 18.045 19.000 0.134 0.000 1.077 523 A HN 0.427 nan 8.150 nan 0.000 0.513 524 M N 2.249 121.898 119.600 0.081 0.000 2.518 524 M HA 0.555 5.034 4.480 -0.001 0.000 0.300 524 M C 0.268 176.610 176.300 0.070 0.000 1.175 524 M CA -0.433 54.911 55.300 0.073 0.000 0.890 524 M CB 2.295 34.940 32.600 0.074 0.000 1.710 524 M HN 0.679 nan 8.290 nan 0.000 0.453 525 A N 1.107 123.955 122.820 0.047 0.000 2.445 525 A HA 0.328 4.648 4.320 -0.001 0.000 0.242 525 A C 0.770 178.374 177.584 0.033 0.000 1.075 525 A CA -0.171 51.877 52.037 0.018 0.000 0.777 525 A CB 0.220 19.204 19.000 -0.026 0.000 1.013 525 A HN 0.935 nan 8.150 nan 0.000 0.493 526 S N 0.458 116.179 115.700 0.035 0.000 2.395 526 S HA 0.040 4.509 4.470 -0.001 0.000 0.225 526 S C 0.678 175.401 174.600 0.205 0.000 1.027 526 S CA 1.280 59.566 58.200 0.143 0.000 0.965 526 S CB -0.260 63.084 63.200 0.240 0.000 0.812 526 S HN 0.951 nan 8.310 nan 0.000 0.482 527 H N 0.249 119.383 119.070 0.107 0.000 3.037 527 H HA 0.499 5.054 4.556 -0.001 0.000 0.355 527 H C -1.214 174.159 175.328 0.075 0.000 1.263 527 H CA -1.188 54.925 56.048 0.107 0.000 1.129 527 H CB 0.972 30.827 29.762 0.156 0.000 1.861 527 H HN 0.087 nan 8.280 nan 0.000 0.546 528 K N 0.769 121.267 120.400 0.162 0.000 2.179 528 K HA 0.225 4.545 4.320 -0.001 0.000 0.238 528 K C -0.602 176.101 176.600 0.172 0.000 1.033 528 K CA -0.776 55.563 56.287 0.086 0.000 0.926 528 K CB 0.652 33.181 32.500 0.048 0.000 1.151 528 K HN 0.326 nan 8.250 nan 0.000 0.492 529 D N 1.270 121.730 120.400 0.100 0.000 2.449 529 D HA -0.017 4.623 4.640 -0.001 0.000 0.236 529 D C -0.424 175.953 176.300 0.128 0.000 1.149 529 D CA 0.939 55.005 54.000 0.111 0.000 0.878 529 D CB 0.071 40.908 40.800 0.061 0.000 1.198 529 D HN 0.568 nan 8.370 nan 0.000 0.446 530 D N 1.469 121.944 120.400 0.125 0.000 2.699 530 D HA -0.171 4.469 4.640 -0.001 0.000 0.239 530 D C 0.552 176.919 176.300 0.112 0.000 1.136 530 D CA 0.920 54.978 54.000 0.097 0.000 0.668 530 D CB -0.446 40.396 40.800 0.070 0.000 1.060 530 D HN 0.588 nan 8.370 nan 0.000 0.429 531 E N -0.721 119.557 120.200 0.129 0.000 3.470 531 E HA 0.091 4.441 4.350 -0.001 0.000 0.220 531 E C 0.646 177.204 176.600 -0.071 0.000 1.260 531 E CA -0.084 56.385 56.400 0.115 0.000 1.240 531 E CB 0.406 30.258 29.700 0.252 0.000 2.780 531 E HN 0.049 nan 8.360 nan 0.000 0.573 532 E N 0.756 120.712 120.200 -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 -0.361 0.000 0.729 532 E CA 1.787 57.718 56.400 -0.782 0.000 1.222 532 E CB -1.043 28.458 29.700 -0.332 0.000 1.633 532 E HN 0.318 nan 8.360 nan 0.000 0.437 533 K N -0.983 119.283 120.400 -0.224 0.000 2.399 533 K HA 0.176 4.496 4.320 -0.001 0.000 0.196 533 K C 0.133 176.592 176.600 -0.234 0.000 1.103 533 K CA 0.114 56.259 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 3.007 122.968 119.950 0.019 0.000 2.404 534 F HA 0.313 4.840 4.527 -0.001 0.000 0.358 534 F C -0.169 175.707 175.800 0.126 0.000 1.120 534 F CA -1.336 56.687 58.000 0.038 0.000 1.144 534 F CB 0.671 39.677 39.000 0.010 0.000 1.133 534 F HN -0.000 nan 8.300 nan 0.000 0.495 535 F N 3.249 123.307 119.950 0.180 0.000 2.508 535 F HA 0.801 5.327 4.527 -0.001 0.000 0.325 535 F C -3.117 172.751 175.800 0.113 0.000 1.090 535 F CA -3.844 54.239 58.000 0.137 0.000 0.945 535 F CB 0.771 39.816 39.000 0.075 0.000 1.156 535 F HN 0.114 nan 8.300 nan 0.000 0.463 536 P HA 0.058 nan 4.420 nan 0.000 0.268 536 P C -0.270 176.989 177.300 -0.068 0.000 1.204 536 P CA -0.211 62.884 63.100 -0.007 0.000 0.768 536 P CB 0.638 32.373 31.700 0.058 0.000 0.842 537 M N 5.646 125.112 119.600 -0.223 0.000 2.734 537 M HA -0.072 4.408 4.480 -0.001 0.000 0.356 537 M C 1.083 177.095 176.300 -0.479 0.000 1.790 537 M CA 0.812 55.958 55.300 -0.257 0.000 1.231 537 M CB -1.403 31.041 32.600 -0.260 0.000 2.102 537 M HN 0.605 nan 8.290 nan 0.000 0.463 538 H N 0.850 120.039 119.070 0.197 0.000 2.884 538 H HA -0.198 4.358 4.556 -0.001 0.000 0.289 538 H C 0.507 175.913 175.328 0.130 0.000 1.142 538 H CA 0.584 56.722 56.048 0.149 0.000 1.158 538 H CB -2.175 27.643 29.762 0.094 0.000 1.325 538 H HN 0.880 nan 8.280 nan 0.000 0.366 539 G N 0.919 109.755 108.800 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 0.416 175.403 174.900 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 -1.205 117.587 118.700 0.153 0.000 3.046 540 N HA 0.242 4.982 4.740 -0.001 0.000 0.243 540 N C -1.615 173.914 175.510 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 0.116 0.000 1.425 540 N HN -0.189 nan 8.380 nan 0.000 0.517 541 L N 0.397 121.598 121.223 -0.037 0.000 2.371 541 L HA 0.521 4.860 4.340 -0.001 0.000 0.272 541 L C 0.018 176.647 176.870 -0.401 0.000 1.124 541 L CA -0.042 54.666 54.840 -0.220 0.000 0.816 541 L CB 0.318 42.231 42.059 -0.243 0.000 1.129 541 L HN 0.515 nan 8.230 nan 0.000 0.448 542 I N 2.789 123.061 120.570 -0.498 0.000 2.499 542 I HA 0.358 4.527 4.170 -0.001 0.000 0.288 542 I C -0.999 174.806 176.117 -0.520 0.000 1.048 542 I CA -0.386 60.659 61.300 -0.425 0.000 1.062 542 I CB 1.477 39.340 38.000 -0.227 0.000 1.238 542 I HN 0.295 nan 8.210 nan 0.000 0.426 543 F N 2.914 122.817 119.950 -0.079 0.000 2.443 543 F HA 0.618 5.144 4.527 -0.001 0.000 0.335 543 F C 0.992 176.758 175.800 -0.058 0.000 1.104 543 F CA -0.737 57.231 58.000 -0.053 0.000 1.013 543 F CB 1.852 40.823 39.000 -0.048 0.000 1.136 543 F HN 0.409 nan 8.300 nan 0.000 0.470 544 G N 2.753 111.638 108.800 0.141 0.000 2.353 544 G HA2 0.341 4.301 3.960 -0.001 0.000 0.284 544 G HA3 0.341 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 -0.715 44.417 45.100 0.055 0.000 0.854 544 G HN 0.559 nan 8.290 nan 0.000 0.485 545 K N 0.699 121.096 120.400 -0.004 0.000 2.285 545 K HA 0.031 4.351 4.320 -0.001 0.000 0.255 545 K C 0.308 176.883 176.600 -0.040 0.000 1.000 545 K CA -0.076 56.187 56.287 -0.040 0.000 0.887 545 K CB 0.548 33.014 32.500 -0.057 0.000 0.997 545 K HN 0.495 nan 8.250 nan 0.000 0.510 546 E N 0.536 120.694 120.200 -0.069 0.000 2.351 546 E HA 0.099 4.449 4.350 -0.001 0.000 0.266 546 E C -0.294 176.280 176.600 -0.043 0.000 1.031 546 E CA 0.977 57.342 56.400 -0.059 0.000 0.911 546 E CB 0.115 29.759 29.700 -0.093 0.000 0.986 546 E HN 0.630 nan 8.360 nan 0.000 0.446 547 G N 3.685 112.471 108.800 -0.023 0.000 2.694 547 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.247 547 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.247 547 G C -0.410 174.479 174.900 -0.020 0.000 0.989 547 G CA 0.094 45.183 45.100 -0.019 0.000 1.252 547 G HN 0.629 nan 8.290 nan 0.000 0.483 548 T N 1.405 115.952 114.554 -0.012 0.000 3.578 548 T HA 0.459 4.809 4.350 -0.001 0.000 0.343 548 T C 0.349 175.043 174.700 -0.009 0.000 1.126 548 T CA -0.089 62.002 62.100 -0.014 0.000 1.092 548 T CB 1.177 70.035 68.868 -0.017 0.000 1.160 548 T HN 0.795 nan 8.240 nan 0.000 0.469 549 T N 2.509 117.056 114.554 -0.011 0.000 2.939 549 T HA 0.168 4.517 4.350 -0.001 0.000 0.312 549 T C 1.629 176.323 174.700 -0.010 0.000 1.064 549 T CA 0.278 62.373 62.100 -0.010 0.000 1.136 549 T CB 0.474 69.335 68.868 -0.012 0.000 1.035 549 T HN 0.768 nan 8.240 nan 0.000 0.538 550 A N 2.513 125.328 122.820 -0.008 0.000 2.206 550 A HA 0.220 4.539 4.320 -0.001 0.000 0.211 550 A C 1.425 178.998 177.584 -0.018 0.000 1.158 550 A CA 0.260 52.291 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 0.146 115.835 115.700 -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 62.882 63.200 -0.022 0.000 0.988 551 S HN 0.539 nan 8.310 nan 0.000 0.466 552 N N 2.266 120.953 118.700 -0.022 0.000 2.620 552 N HA -0.202 4.537 4.740 -0.001 0.000 0.293 552 N C -0.499 175.001 175.510 -0.017 0.000 1.178 552 N CA 0.661 53.700 53.050 -0.018 0.000 0.750 552 N CB -0.419 38.058 38.487 -0.017 0.000 0.949 552 N HN 0.670 nan 8.380 nan 0.000 0.555 553 A N 1.213 124.022 122.820 -0.018 0.000 2.306 553 A HA 0.578 4.897 4.320 -0.001 0.000 0.330 553 A C 0.321 177.893 177.584 -0.020 0.000 1.146 553 A CA -0.547 51.478 52.037 -0.019 0.000 0.827 553 A CB 1.028 20.015 19.000 -0.021 0.000 1.178 553 A HN 0.497 nan 8.150 nan 0.000 0.490 554 E N 0.120 120.308 120.200 -0.020 0.000 2.408 554 E HA 0.180 4.530 4.350 -0.001 0.000 0.259 554 E C 0.883 177.466 176.600 -0.029 0.000 1.110 554 E CA -0.173 56.215 56.400 -0.020 0.000 0.929 554 E CB 0.574 30.263 29.700 -0.019 0.000 0.971 554 E HN 0.553 nan 8.360 nan 0.000 0.438 555 L N 2.431 123.638 121.223 -0.027 0.000 2.265 555 L HA -0.105 4.235 4.340 -0.001 0.000 0.215 555 L C 0.761 177.600 176.870 -0.053 0.000 1.117 555 L CA 1.797 56.611 54.840 -0.044 0.000 0.782 555 L CB -0.090 41.951 42.059 -0.030 0.000 0.914 555 L HN 0.549 nan 8.230 nan 0.000 0.441 556 D N -0.705 119.670 120.400 -0.041 0.000 2.349 556 D HA -0.038 4.602 4.640 -0.001 0.000 0.224 556 D C 0.919 177.192 176.300 -0.045 0.000 1.029 556 D CA 0.327 54.301 54.000 -0.043 0.000 0.879 556 D CB -0.007 40.772 40.800 -0.036 0.000 0.906 556 D HN 0.412 nan 8.370 nan 0.000 0.528 557 N N 0.051 118.725 118.700 -0.044 0.000 2.205 557 N HA 0.025 4.765 4.740 -0.001 0.000 0.201 557 N C 0.239 175.725 175.510 -0.041 0.000 1.128 557 N CA 0.068 53.094 53.050 -0.041 0.000 0.867 557 N CB 1.608 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 -2.115 117.768 119.914 -0.051 0.000 3.113 558 V HA 0.661 4.780 4.120 -0.001 0.000 0.316 558 V C -0.374 175.685 176.094 -0.058 0.000 1.125 558 V CA -0.979 61.290 62.300 -0.051 0.000 1.026 558 V CB 2.446 34.226 31.823 -0.072 0.000 1.080 558 V HN -0.185 nan 8.190 nan 0.000 0.444 559 M N 2.847 122.427 119.600 -0.032 0.000 2.085 559 M HA 0.585 5.065 4.480 -0.001 0.000 0.309 559 M C -1.018 175.249 176.300 -0.056 0.000 0.947 559 M CA -0.135 55.152 55.300 -0.022 0.000 0.918 559 M CB 1.673 34.300 32.600 0.043 0.000 1.504 559 M HN 0.554 nan 8.290 nan 0.000 0.420 560 I N 2.358 122.855 120.570 -0.121 0.000 2.428 560 I HA 0.369 4.538 4.170 -0.001 0.000 0.296 560 I C 0.588 176.642 176.117 -0.104 0.000 0.985 560 I CA -0.679 60.513 61.300 -0.179 0.000 1.260 560 I CB 1.796 39.596 38.000 -0.333 0.000 1.389 560 I HN 0.605 nan 8.210 nan 0.000 0.484 561 T N 0.301 114.788 114.554 -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 -0.847 61.202 62.100 -0.085 0.000 1.019 561 T CB 1.465 70.164 68.868 -0.281 0.000 0.923 561 T HN 0.372 nan 8.240 nan 0.000 0.468 562 D N 2.167 122.646 120.400 0.131 0.000 2.274 562 D HA 0.204 4.843 4.640 -0.001 0.000 0.239 562 D C -0.087 176.338 176.300 0.207 0.000 1.104 562 D CA -0.422 53.696 54.000 0.198 0.000 0.840 562 D CB 0.932 41.870 40.800 0.230 0.000 1.100 562 D HN 0.454 nan 8.370 nan 0.000 0.477 563 E N 3.264 123.568 120.200 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 56.435 56.400 0.132 0.000 1.252 563 E CB 0.327 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 -0.358 119.844 120.200 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 0.035 56.377 56.400 -0.097 0.000 0.921 564 E CB 0.297 29.904 29.700 -0.156 0.000 1.034 564 E HN -0.001 nan 8.360 nan 0.000 0.468 565 E N 1.084 121.264 120.200 -0.032 0.000 2.340 565 E HA 0.082 4.431 4.350 -0.001 0.000 0.194 565 E C 1.705 178.278 176.600 -0.044 0.000 0.996 565 E CA 0.414 56.783 56.400 -0.052 0.000 0.869 565 E CB 0.113 29.764 29.700 -0.082 0.000 0.835 565 E HN 0.533 nan 8.360 nan 0.000 0.493 566 I N -1.889 118.667 120.570 -0.024 0.000 3.855 566 I HA 0.248 4.418 4.170 -0.001 0.000 0.327 566 I C 1.038 177.166 176.117 0.019 0.000 1.359 566 I CA -0.124 61.180 61.300 0.006 0.000 1.142 566 I CB 0.112 38.125 38.000 0.022 0.000 1.041 566 I HN -0.127 nan 8.210 nan 0.000 0.403 567 R N 1.493 121.989 120.500 -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 1.912 58.004 56.100 -0.013 0.000 0.997 567 R CB -0.364 29.915 30.300 -0.035 0.000 0.867 567 R HN 0.655 nan 8.270 nan 0.000 0.465 568 T N -3.821 110.748 114.554 0.024 0.000 3.057 568 T HA 0.017 4.367 4.350 -0.001 0.000 0.254 568 T C 1.681 176.387 174.700 0.009 0.000 1.094 568 T CA 0.939 63.051 62.100 0.020 0.000 1.088 568 T CB 0.378 69.271 68.868 0.042 0.000 0.934 568 T HN 0.267 nan 8.240 nan 0.000 0.497 569 T N -1.594 112.982 114.554 0.036 0.000 2.964 569 T HA 0.316 4.665 4.350 -0.001 0.000 0.250 569 T C 0.322 175.078 174.700 0.093 0.000 0.982 569 T CA -0.475 61.653 62.100 0.047 0.000 0.959 569 T CB -0.251 68.651 68.868 0.057 0.000 1.141 569 T HN 0.339 nan 8.240 nan 0.000 0.494 570 N N 2.179 120.928 118.700 0.082 0.000 2.319 570 N HA 0.608 5.348 4.740 -0.001 0.000 0.305 570 N C -3.103 172.439 175.510 0.054 0.000 1.103 570 N CA -1.898 51.207 53.050 0.092 0.000 0.815 570 N CB 1.780 40.326 38.487 0.099 0.000 1.288 570 N HN 0.059 nan 8.380 nan 0.000 0.493 571 P HA 0.055 nan 4.420 nan 0.000 0.272 571 P C -0.698 176.626 177.300 0.040 0.000 1.230 571 P CA -0.386 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 1.381 121.305 119.914 0.018 0.000 2.614 572 V HA 0.184 4.304 4.120 -0.001 0.000 0.291 572 V C 1.636 177.750 176.094 0.034 0.000 1.049 572 V CA 0.438 62.749 62.300 0.019 0.000 1.038 572 V CB 0.234 32.060 31.823 0.004 0.000 0.980 572 V HN 0.710 nan 8.190 nan 0.000 0.481 573 A N 3.793 126.639 122.820 0.043 0.000 1.902 573 A HA -0.147 4.172 4.320 -0.001 0.000 0.217 573 A C 2.221 179.815 177.584 0.016 0.000 1.181 573 A CA 2.320 54.383 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 -2.560 111.997 114.554 0.004 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 -0.161 68.683 68.868 -0.040 0.000 0.895 574 T HN 0.379 nan 8.240 nan 0.000 0.480 575 E N 2.392 122.573 120.200 -0.031 0.000 2.376 575 E HA 0.211 4.560 4.350 -0.001 0.000 0.254 575 E C 0.557 177.146 176.600 -0.019 0.000 1.213 575 E CA -0.321 56.056 56.400 -0.038 0.000 0.945 575 E CB 0.477 30.156 29.700 -0.036 0.000 1.057 575 E HN 0.758 nan 8.360 nan 0.000 0.479 576 Q N -0.330 119.458 119.800 -0.020 0.000 2.700 576 Q HA -0.013 4.326 4.340 -0.001 0.000 0.191 576 Q C 0.655 176.691 176.000 0.059 0.000 1.134 576 Q CA 0.043 55.852 55.803 0.010 0.000 1.193 576 Q CB 0.164 28.900 28.738 -0.004 0.000 1.250 576 Q HN 0.622 nan 8.270 nan 0.000 0.670 577 Y N -1.289 118.987 120.300 -0.041 0.000 2.351 577 Y HA 0.411 4.961 4.550 -0.001 0.000 0.291 577 Y C 0.635 176.520 175.900 -0.024 0.000 1.153 577 Y CA 1.153 59.235 58.100 -0.030 0.000 1.193 577 Y CB 0.833 39.273 38.460 -0.032 0.000 1.187 577 Y HN 0.802 nan 8.280 nan 0.000 0.524 578 G N -1.193 107.635 108.800 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 0.180 114.750 114.554 0.027 0.000 2.879 579 T HA 0.613 4.963 4.350 -0.001 0.000 0.290 579 T C -0.852 173.868 174.700 0.034 0.000 0.993 579 T CA -0.229 61.885 62.100 0.022 0.000 0.975 579 T CB 1.657 70.525 68.868 -0.001 0.000 0.981 579 T HN 0.615 nan 8.240 nan 0.000 0.439 580 V N 2.169 122.101 119.914 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 -1.202 61.114 62.300 0.028 0.000 0.905 580 V CB 1.729 33.569 31.823 0.028 0.000 0.997 580 V HN 1.063 nan 8.190 nan 0.000 0.436 581 A N 3.162 125.991 122.820 0.015 0.000 2.322 581 A HA 0.676 4.996 4.320 -0.001 0.000 0.269 581 A C 0.423 178.012 177.584 0.008 0.000 1.094 581 A CA -0.381 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 1.060 nan 8.150 nan 0.000 0.487 582 N N 1.139 119.842 118.700 0.005 0.000 2.604 582 N HA 0.122 4.862 4.740 -0.001 0.000 0.284 582 N C -1.201 174.311 175.510 0.003 0.000 1.716 582 N CA -0.419 52.633 53.050 0.003 0.000 0.859 582 N CB 0.111 38.599 38.487 0.001 0.000 1.403 582 N HN 0.740 nan 8.380 nan 0.000 0.501 583 N N -0.208 118.494 118.700 0.004 0.000 3.355 583 N HA 0.202 4.942 4.740 -0.001 0.000 0.238 583 N C -1.730 173.783 175.510 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 0.048 nan 8.380 nan 0.000 0.500 584 L N 1.405 122.631 121.223 0.005 0.000 2.417 584 L HA 0.273 4.613 4.340 -0.001 0.000 0.258 584 L C 0.117 176.991 176.870 0.006 0.000 1.088 584 L CA -0.851 53.993 54.840 0.007 0.000 0.975 584 L CB 0.510 42.572 42.059 0.007 0.000 1.341 584 L HN 0.601 nan 8.230 nan 0.000 0.431 585 Q N 2.010 121.814 119.800 0.006 0.000 2.349 585 Q HA 0.408 4.748 4.340 -0.001 0.000 0.287 585 Q C 0.040 176.042 176.000 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 29.880 28.738 0.004 0.000 1.242 585 Q HN 0.558 nan 8.270 nan 0.000 0.405 586 S N 0.469 116.171 115.700 0.002 0.000 2.757 586 S HA 0.429 4.899 4.470 -0.001 0.000 0.285 586 S C 0.448 175.047 174.600 -0.000 0.000 1.196 586 S CA -0.308 57.893 58.200 0.002 0.000 0.856 586 S CB 0.324 63.526 63.200 0.003 0.000 1.212 586 S HN 0.858 nan 8.310 nan 0.000 0.516 587 S N 1.226 116.926 115.700 -0.001 0.000 2.399 587 S HA -0.092 4.378 4.470 -0.001 0.000 0.231 587 S C 1.254 175.852 174.600 -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 1.536 120.236 118.700 -0.001 0.000 2.300 588 N HA 0.043 4.783 4.740 -0.001 0.000 0.179 588 N C -0.054 175.456 175.510 -0.002 0.000 1.016 588 N CA 0.926 53.975 53.050 -0.001 0.000 0.876 588 N CB -0.136 38.351 38.487 -0.001 0.000 0.979 588 N HN 0.424 nan 8.380 nan 0.000 0.432 589 T N 0.416 114.969 114.554 -0.001 0.000 2.807 589 T HA 0.616 4.965 4.350 -0.001 0.000 0.279 589 T C -0.342 174.357 174.700 -0.002 0.000 0.993 589 T CA -0.807 61.292 62.100 -0.001 0.000 0.970 589 T CB 2.417 71.285 68.868 -0.000 0.000 0.950 589 T HN 0.104 nan 8.240 nan 0.000 0.441 590 A N 4.943 127.762 122.820 -0.003 0.000 2.328 590 A HA 0.624 4.943 4.320 -0.001 0.000 0.284 590 A C -2.157 175.426 177.584 -0.002 0.000 1.160 590 A CA -1.661 50.374 52.037 -0.003 0.000 0.818 590 A CB -0.260 18.738 19.000 -0.004 0.000 1.087 590 A HN 0.578 nan 8.150 nan 0.000 0.504 591 P HA 0.078 nan 4.420 nan 0.000 0.261 591 P C -0.319 176.980 177.300 -0.001 0.000 1.183 591 P CA 0.553 63.653 63.100 -0.000 0.000 0.761 591 P CB 0.276 31.977 31.700 0.001 0.000 0.785 592 T N 2.560 117.114 114.554 -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 -0.222 61.876 62.100 -0.002 0.000 1.042 592 T CB 0.956 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 3.354 117.906 114.554 -0.004 0.000 2.824 593 T HA 0.528 4.877 4.350 -0.001 0.000 0.282 593 T C -0.469 174.228 174.700 -0.005 0.000 0.993 593 T CA -0.761 61.337 62.100 -0.003 0.000 0.967 593 T CB 1.116 69.981 68.868 -0.005 0.000 0.960 593 T HN 0.281 nan 8.240 nan 0.000 0.441 594 R N 2.289 122.788 120.500 -0.002 0.000 2.480 594 R HA 0.389 4.729 4.340 -0.001 0.000 0.306 594 R C -0.839 175.462 176.300 0.001 0.000 0.958 594 R CA -0.473 55.624 56.100 -0.004 0.000 0.861 594 R CB 1.460 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 3.377 117.928 114.554 -0.005 0.000 2.779 595 T HA 0.067 4.416 4.350 -0.001 0.000 0.296 595 T C -0.173 174.531 174.700 0.006 0.000 0.938 595 T CA -0.033 62.067 62.100 0.000 0.000 1.119 595 T CB 0.649 69.510 68.868 -0.012 0.000 0.891 595 T HN 0.352 nan 8.240 nan 0.000 0.526 596 V N 5.842 125.778 119.914 0.036 0.000 2.408 596 V HA 0.273 4.392 4.120 -0.001 0.000 0.267 596 V C 0.601 176.715 176.094 0.033 0.000 1.047 596 V CA -0.344 61.977 62.300 0.034 0.000 0.937 596 V CB 0.462 32.330 31.823 0.075 0.000 0.999 596 V HN 0.834 nan 8.190 nan 0.000 0.472 597 N N 4.463 123.143 118.700 -0.034 0.000 2.254 597 N HA 0.149 4.889 4.740 -0.001 0.000 0.190 597 N C -0.420 175.012 175.510 -0.130 0.000 1.107 597 N CA 0.155 53.165 53.050 -0.067 0.000 0.869 597 N CB 0.615 39.041 38.487 -0.102 0.000 0.983 597 N HN 0.787 nan 8.380 nan 0.000 0.487 598 D N 0.649 120.962 120.400 -0.145 0.000 2.855 598 D HA 0.188 4.828 4.640 -0.001 0.000 0.241 598 D C -1.537 174.633 176.300 -0.216 0.000 1.277 598 D CA -0.351 53.543 54.000 -0.176 0.000 0.918 598 D CB 1.527 42.225 40.800 -0.170 0.000 1.462 598 D HN -0.254 nan 8.370 nan 0.000 0.559 599 Q N 2.585 122.206 119.800 -0.298 0.000 2.309 599 Q HA 0.657 4.997 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 54.835 55.803 -0.431 0.000 0.758 599 Q CB 1.674 29.801 28.738 -1.019 0.000 1.247 599 Q HN 0.529 nan 8.270 nan 0.000 0.455 600 G N 1.995 110.659 108.800 -0.226 0.000 2.441 600 G HA2 0.490 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 -1.269 121.404 122.820 -0.245 0.000 2.306 601 A HA 0.746 5.066 4.320 -0.001 0.000 0.314 601 A C -0.606 176.948 177.584 -0.050 0.000 1.164 601 A CA -0.405 51.518 52.037 -0.189 0.000 0.822 601 A CB 0.789 19.596 19.000 -0.322 0.000 1.130 601 A HN 0.512 nan 8.150 nan 0.000 0.496 602 L N 2.094 123.345 121.223 0.046 0.000 2.422 602 L HA 0.413 4.753 4.340 -0.001 0.000 0.264 602 L C -2.534 174.434 176.870 0.163 0.000 0.984 602 L CA -2.017 52.877 54.840 0.089 0.000 0.819 602 L CB 2.672 44.779 42.059 0.082 0.000 1.330 602 L HN 0.438 nan 8.230 nan 0.000 0.410 603 P HA 0.169 nan 4.420 nan 0.000 0.262 603 P C 0.680 178.103 177.300 0.204 0.000 1.199 603 P CA 0.678 63.883 63.100 0.174 0.000 0.763 603 P CB 0.722 32.500 31.700 0.130 0.000 0.790 604 G N 2.479 111.445 108.800 0.276 0.000 2.253 604 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.209 604 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.209 604 G C 0.223 175.361 174.900 0.397 0.000 0.997 604 G CA -0.530 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 1.503 121.299 119.600 0.327 0.000 2.239 605 M HA 0.477 4.957 4.480 -0.001 0.000 0.348 605 M C 0.696 177.215 176.300 0.365 0.000 1.239 605 M CA 0.215 55.726 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 1.212 121.307 119.914 0.302 0.000 2.962 606 V HA 0.949 5.069 4.120 -0.001 0.000 0.313 606 V C -1.533 174.743 176.094 0.303 0.000 1.099 606 V CA -0.653 61.710 62.300 0.105 0.000 0.971 606 V CB 1.860 33.581 31.823 -0.170 0.000 1.028 606 V HN 1.125 nan 8.190 nan 0.000 0.430 607 W N 1.511 122.771 121.300 -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 -0.762 56.554 57.345 -0.047 0.000 1.183 607 W CB 1.388 30.826 29.460 -0.036 0.000 1.467 607 W HN 0.783 nan 8.180 nan 0.000 0.578 608 Q N 1.169 121.092 119.800 0.204 0.000 2.297 608 Q HA 0.456 4.796 4.340 -0.001 0.000 0.269 608 Q C -1.084 175.038 176.000 0.203 0.000 1.051 608 Q CA -0.319 55.526 55.803 0.069 0.000 0.869 608 Q CB 1.724 30.467 28.738 0.010 0.000 1.346 608 Q HN 0.379 nan 8.270 nan 0.000 0.457 609 D N 0.125 120.583 120.400 0.097 0.000 2.440 609 D HA 0.365 5.005 4.640 -0.001 0.000 0.258 609 D C -0.461 175.907 176.300 0.114 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 0.561 121.151 120.500 0.150 0.000 2.679 610 R HA 0.076 4.416 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 0.071 56.260 56.100 0.149 0.000 1.105 610 R CB 0.334 30.735 30.300 0.168 0.000 0.989 610 R HN 0.416 nan 8.270 nan 0.000 0.447 611 D N 0.446 120.899 120.400 0.090 0.000 2.371 611 D HA 0.172 4.812 4.640 -0.001 0.000 0.242 611 D C -0.642 175.495 176.300 -0.272 0.000 1.218 611 D CA -0.192 53.782 54.000 -0.043 0.000 0.945 611 D CB 0.938 41.600 40.800 -0.231 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 -0.454 0.000 2.715 612 V HA 0.616 4.735 4.120 -0.001 0.000 0.310 612 V C -1.147 174.665 176.094 -0.471 0.000 1.054 612 V CA -0.727 61.342 62.300 -0.386 0.000 0.928 612 V CB 1.099 32.689 31.823 -0.387 0.000 1.007 612 V HN 0.456 nan 8.190 nan 0.000 0.437 613 Y N 2.342 122.709 120.300 0.113 0.000 2.509 613 Y HA 0.576 5.126 4.550 -0.001 0.000 0.341 613 Y C 0.814 176.474 175.900 -0.401 0.000 1.038 613 Y CA -0.908 57.197 58.100 0.008 0.000 1.089 613 Y CB 1.792 40.313 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 -0.755 0.000 2.151 614 L HA -0.253 4.087 4.340 -0.001 0.000 0.215 614 L C 1.723 178.338 176.870 -0.424 0.000 1.084 614 L CA 2.071 56.095 54.840 -1.360 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 -1.211 118.464 119.800 -0.209 0.000 2.175 615 Q HA 0.317 4.656 4.340 -0.001 0.000 0.225 615 Q C 0.591 176.604 176.000 0.021 0.000 0.837 615 Q CA 0.349 56.168 55.803 0.027 0.000 1.032 615 Q CB -0.325 28.347 28.738 -0.109 0.000 1.137 615 Q HN 0.377 nan 8.270 nan 0.000 0.483 616 G N 2.044 110.981 108.800 0.229 0.000 2.522 616 G HA2 0.517 4.476 3.960 -0.001 0.000 0.304 616 G HA3 0.517 4.476 3.960 -0.001 0.000 0.304 616 G C -2.776 172.346 174.900 0.371 0.000 1.210 616 G CA -1.409 43.974 45.100 0.473 0.000 0.960 616 G HN 0.075 nan 8.290 nan 0.000 0.497 617 P HA 0.226 nan 4.420 nan 0.000 0.272 617 P C 0.457 177.802 177.300 0.075 0.000 1.223 617 P CA -0.237 62.907 63.100 0.074 0.000 0.784 617 P CB 1.131 32.870 31.700 0.065 0.000 0.923 618 I N -0.515 119.937 120.570 -0.197 0.000 2.726 618 I HA 0.167 4.337 4.170 -0.001 0.000 0.243 618 I C 0.727 177.081 176.117 0.395 0.000 1.082 618 I CA 0.633 61.884 61.300 -0.082 0.000 1.447 618 I CB -0.381 37.560 38.000 -0.098 0.000 1.250 618 I HN 0.436 nan 8.210 nan 0.000 0.453 619 W N 1.059 122.513 121.300 0.256 0.000 3.207 619 W HA 0.823 5.483 4.660 -0.001 0.000 0.326 619 W C -1.183 175.468 176.519 0.219 0.000 1.190 619 W CA -1.203 56.321 57.345 0.298 0.000 1.011 619 W CB 0.817 30.476 29.460 0.331 0.000 1.511 619 W HN -0.036 nan 8.180 nan 0.000 0.606 620 A N 1.333 124.448 122.820 0.491 0.000 2.555 620 A HA 0.465 4.784 4.320 -0.001 0.000 0.297 620 A C -1.412 176.344 177.584 0.287 0.000 1.060 620 A CA -1.115 51.121 52.037 0.333 0.000 0.710 620 A CB 1.388 20.499 19.000 0.185 0.000 1.282 620 A HN 0.724 nan 8.150 nan 0.000 0.399 621 K N 2.302 122.827 120.400 0.208 0.000 2.412 621 K HA 0.388 4.708 4.320 -0.001 0.000 0.281 621 K C -0.654 175.913 176.600 -0.055 0.000 1.027 621 K CA -0.048 56.182 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 7.755 128.240 120.570 -0.142 0.000 2.379 622 I HA 0.114 4.284 4.170 -0.001 0.000 0.290 622 I C -1.859 174.177 176.117 -0.134 0.000 1.063 622 I CA -2.283 58.922 61.300 -0.157 0.000 1.351 622 I CB 0.934 38.760 38.000 -0.289 0.000 1.410 622 I HN 0.521 nan 8.210 nan 0.000 0.505 623 P HA -0.110 nan 4.420 nan 0.000 0.262 623 P C -0.515 176.859 177.300 0.124 0.000 1.182 623 P CA 0.182 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 2.476 121.568 119.070 0.036 0.000 3.216 624 H HA 0.239 4.794 4.556 -0.001 0.000 0.263 624 H C 0.272 175.654 175.328 0.090 0.000 1.601 624 H CA 0.084 56.168 56.048 0.060 0.000 1.509 624 H CB -0.505 29.261 29.762 0.007 0.000 1.759 624 H HN 0.333 nan 8.280 nan 0.000 0.533 625 T N -0.462 114.107 114.554 0.025 0.000 2.905 625 T HA 0.151 4.501 4.350 -0.001 0.000 0.283 625 T C 0.930 175.489 174.700 -0.234 0.000 1.031 625 T CA -0.937 61.129 62.100 -0.057 0.000 1.002 625 T CB 1.293 70.140 68.868 -0.035 0.000 1.200 625 T HN 0.229 nan 8.240 nan 0.000 0.560 626 D N 0.456 120.747 120.400 -0.183 0.000 2.224 626 D HA 0.193 4.832 4.640 -0.001 0.000 0.205 626 D C 0.918 177.034 176.300 -0.308 0.000 0.965 626 D CA 1.093 54.978 54.000 -0.192 0.000 0.852 626 D CB -0.220 40.522 40.800 -0.098 0.000 0.947 626 D HN 0.812 nan 8.370 nan 0.000 0.494 627 G N -0.719 107.831 108.800 -0.416 0.000 2.682 627 G HA2 0.535 4.495 3.960 -0.001 0.000 0.300 627 G HA3 0.535 4.495 3.960 -0.001 0.000 0.300 627 G C -1.107 173.447 174.900 -0.576 0.000 1.391 627 G CA -0.608 44.237 45.100 -0.426 0.000 0.990 627 G HN 0.021 nan 8.290 nan 0.000 0.501 628 H N 0.970 120.063 119.070 0.039 0.000 2.949 628 H HA 0.553 5.109 4.556 -0.001 0.000 0.356 628 H C -0.677 174.754 175.328 0.171 0.000 1.212 628 H CA -0.651 55.440 56.048 0.071 0.000 1.136 628 H CB 2.362 32.138 29.762 0.023 0.000 1.869 628 H HN 0.418 nan 8.280 nan 0.000 0.556 629 F N 0.100 120.153 119.950 0.172 0.000 2.376 629 F HA 0.174 4.701 4.527 -0.001 0.000 0.234 629 F C 0.507 176.451 175.800 0.240 0.000 1.010 629 F CA 0.373 58.473 58.000 0.166 0.000 1.100 629 F CB 0.436 39.510 39.000 0.123 0.000 1.360 629 F HN 0.474 nan 8.300 nan 0.000 0.649 630 H N 2.176 121.266 119.070 0.033 0.000 2.643 630 H HA 0.314 4.869 4.556 -0.001 0.000 0.259 630 H C -2.127 173.263 175.328 0.103 0.000 1.298 630 H CA -1.884 54.158 56.048 -0.010 0.000 1.301 630 H CB 0.769 30.639 29.762 0.179 0.000 1.422 630 H HN 0.081 nan 8.280 nan 0.000 0.521 631 P HA -0.055 nan 4.420 nan 0.000 0.279 631 P C 0.101 177.395 177.300 -0.009 0.000 1.451 631 P CA 0.285 63.364 63.100 -0.035 0.000 0.783 631 P CB -0.231 31.381 31.700 -0.146 0.000 1.490 632 S N 1.554 117.285 115.700 0.052 0.000 2.499 632 S HA 0.321 4.791 4.470 -0.001 0.000 0.275 632 S C -2.288 172.391 174.600 0.132 0.000 1.257 632 S CA -1.702 56.561 58.200 0.105 0.000 1.050 632 S CB -0.188 63.128 63.200 0.193 0.000 0.937 632 S HN -0.057 nan 8.310 nan 0.000 0.490 633 P HA 0.031 nan 4.420 nan 0.000 0.262 633 P C 0.595 177.968 177.300 0.121 0.000 1.182 633 P CA 0.128 63.298 63.100 0.116 0.000 0.761 633 P CB 0.337 32.113 31.700 0.126 0.000 0.795 634 L N 2.248 123.538 121.223 0.110 0.000 2.201 634 L HA -0.092 4.248 4.340 -0.001 0.000 0.212 634 L C 2.018 178.958 176.870 0.115 0.000 1.105 634 L CA 1.364 56.270 54.840 0.111 0.000 0.775 634 L CB -0.473 41.638 42.059 0.087 0.000 0.913 634 L HN 0.471 nan 8.230 nan 0.000 0.440 635 M N -0.522 119.144 119.600 0.109 0.000 2.659 635 M HA 0.151 4.631 4.480 -0.001 0.000 0.243 635 M C 0.814 177.206 176.300 0.153 0.000 1.111 635 M CA 0.494 55.865 55.300 0.118 0.000 1.070 635 M CB -0.191 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 -0.204 108.679 108.800 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 -0.274 174.685 174.900 0.098 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 -1.030 107.765 108.800 -0.009 0.000 2.428 637 G HA2 0.388 4.348 3.960 -0.001 0.000 0.202 637 G HA3 0.388 4.348 3.960 -0.001 0.000 0.202 637 G C -0.445 174.332 174.900 -0.205 0.000 1.247 637 G CA 0.056 45.091 45.100 -0.108 0.000 1.020 637 G HN 1.722 nan 8.290 nan 0.000 0.529 638 F N 1.825 121.932 119.950 0.263 0.000 2.411 638 F HA 0.586 5.113 4.527 -0.001 0.000 0.352 638 F C 1.100 177.036 175.800 0.227 0.000 1.123 638 F CA 0.169 58.304 58.000 0.225 0.000 1.044 638 F CB 2.068 41.213 39.000 0.242 0.000 1.135 638 F HN 0.734 nan 8.300 nan 0.000 0.461 639 G N 4.882 113.849 108.800 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 -1.017 173.954 174.900 0.119 0.000 1.126 639 G CA -0.516 44.686 45.100 0.170 0.000 0.896 639 G HN 0.570 nan 8.290 nan 0.000 0.436 640 L N 2.931 124.207 121.223 0.087 0.000 2.362 640 L HA 0.372 4.712 4.340 -0.001 0.000 0.275 640 L C 1.072 177.839 176.870 -0.171 0.000 0.998 640 L CA -1.115 53.725 54.840 0.001 0.000 0.820 640 L CB 2.333 44.420 42.059 0.046 0.000 1.270 640 L HN 0.434 nan 8.230 nan 0.000 0.415 641 K N 0.925 121.184 120.400 -0.235 0.000 2.057 641 K HA -0.031 4.289 4.320 -0.001 0.000 0.207 641 K C 0.281 176.382 176.600 -0.831 0.000 1.049 641 K CA 1.298 57.291 56.287 -0.490 0.000 0.931 641 K CB 0.062 32.294 32.500 -0.446 0.000 0.714 641 K HN 0.540 nan 8.250 nan 0.000 0.440 642 H N 0.266 119.167 119.070 -0.281 0.000 2.569 642 H HA 0.297 4.853 4.556 -0.001 0.000 0.247 642 H C -2.456 172.796 175.328 -0.126 0.000 1.346 642 H CA -2.121 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 -2.600 174.440 177.300 -0.433 0.000 1.261 643 P CA -1.880 61.044 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 0.024 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 -0.273 62.105 63.100 -1.203 0.000 0.762 644 P CB -1.123 29.907 31.700 -1.117 0.000 0.764 645 P HA 0.030 nan 4.420 nan 0.000 0.272 645 P C -0.486 176.734 177.300 -0.134 0.000 1.240 645 P CA -0.036 63.016 63.100 -0.080 0.000 0.791 645 P CB 0.717 32.270 31.700 -0.244 0.000 0.978 646 Q N 0.632 120.330 119.800 -0.170 0.000 2.286 646 Q HA 0.331 4.670 4.340 -0.001 0.000 0.257 646 Q C -0.453 175.239 176.000 -0.514 0.000 0.941 646 Q CA -0.282 55.327 55.803 -0.323 0.000 0.912 646 Q CB 0.215 28.709 28.738 -0.406 0.000 1.192 646 Q HN 0.329 nan 8.270 nan 0.000 0.410 647 I N 3.040 123.341 120.570 -0.448 0.000 2.337 647 I HA 0.184 4.354 4.170 -0.001 0.000 0.285 647 I C -0.508 175.377 176.117 -0.388 0.000 1.041 647 I CA -0.208 60.775 61.300 -0.529 0.000 1.199 647 I CB 0.613 38.256 38.000 -0.595 0.000 1.370 647 I HN 0.478 nan 8.210 nan 0.000 0.470 648 M N 6.584 125.757 119.600 -0.710 0.000 2.274 648 M HA 0.551 5.030 4.480 -0.001 0.000 0.344 648 M C -0.646 175.637 176.300 -0.029 0.000 1.161 648 M CA -0.247 54.771 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 3.112 123.831 120.570 0.249 0.000 2.722 649 I HA 0.683 4.853 4.170 -0.001 0.000 0.292 649 I C -1.832 174.284 176.117 -0.001 0.000 1.267 649 I CA -0.293 61.086 61.300 0.132 0.000 1.036 649 I CB 1.638 39.627 38.000 -0.019 0.000 1.281 649 I HN 0.679 nan 8.210 nan 0.000 0.423 650 K N 3.966 124.218 120.400 -0.246 0.000 2.578 650 K HA 0.558 4.877 4.320 -0.001 0.000 0.269 650 K C -1.907 174.518 176.600 -0.292 0.000 0.941 650 K CA -0.666 55.372 56.287 -0.414 0.000 0.847 650 K CB 0.703 32.580 32.500 -1.039 0.000 1.397 650 K HN 0.348 nan 8.250 nan 0.000 0.422 651 N N 1.304 119.907 118.700 -0.161 0.000 2.475 651 N HA 0.155 4.894 4.740 -0.001 0.000 0.267 651 N C -0.742 174.683 175.510 -0.141 0.000 1.169 651 N CA -0.213 52.786 53.050 -0.085 0.000 0.947 651 N CB 0.915 39.403 38.487 0.001 0.000 1.061 651 N HN 0.683 nan 8.380 nan 0.000 0.466 652 T N 3.656 118.126 114.554 -0.139 0.000 2.888 652 T HA 0.147 4.497 4.350 -0.001 0.000 0.301 652 T C -2.178 172.361 174.700 -0.269 0.000 1.001 652 T CA -0.698 61.292 62.100 -0.184 0.000 1.147 652 T CB 0.295 69.101 68.868 -0.103 0.000 0.931 652 T HN 0.266 nan 8.240 nan 0.000 0.541 653 P HA 0.153 nan 4.420 nan 0.000 0.263 653 P C -0.920 176.206 177.300 -0.291 0.000 1.195 653 P CA -0.132 62.464 63.100 -0.841 0.000 0.762 653 P CB 0.345 31.435 31.700 -1.016 0.000 0.799 654 V N 7.061 126.923 119.914 -0.086 0.000 2.304 654 V HA 0.265 4.385 4.120 -0.001 0.000 0.278 654 V C -2.107 174.159 176.094 0.286 0.000 1.018 654 V CA -2.100 60.250 62.300 0.084 0.000 0.814 654 V CB 1.349 33.207 31.823 0.058 0.000 1.021 654 V HN 0.460 nan 8.190 nan 0.000 0.440 655 P HA 0.210 nan 4.420 nan 0.000 0.266 655 P C 0.003 177.362 177.300 0.098 0.000 1.195 655 P CA 0.416 63.515 63.100 -0.002 0.000 0.768 655 P CB 0.772 32.169 31.700 -0.505 0.000 0.838 656 A N 3.113 126.037 122.820 0.174 0.000 2.450 656 A HA 0.251 4.571 4.320 -0.001 0.000 0.281 656 A C 0.104 177.785 177.584 0.161 0.000 1.372 656 A CA -0.668 51.456 52.037 0.145 0.000 0.886 656 A CB -0.333 18.737 19.000 0.116 0.000 1.462 656 A HN 0.591 nan 8.150 nan 0.000 0.514 657 N N 1.065 119.825 118.700 0.101 0.000 2.315 657 N HA 0.164 4.904 4.740 -0.001 0.000 0.270 657 N C -2.435 173.136 175.510 0.102 0.000 1.329 657 N CA -0.432 52.668 53.050 0.084 0.000 0.860 657 N CB 0.074 38.587 38.487 0.043 0.000 1.095 657 N HN 0.333 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 -1.311 61.876 63.100 0.145 0.000 0.844 658 P CB 0.411 32.249 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 -0.033 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 0.955 175.692 174.700 0.063 0.000 1.105 660 T CA 1.309 63.437 62.100 0.047 0.000 1.116 660 T CB -0.193 68.694 68.868 0.033 0.000 0.878 660 T HN 0.477 nan 8.240 nan 0.000 0.509 661 T N 0.981 115.569 114.554 0.056 0.000 2.902 661 T HA 0.475 4.824 4.350 -0.001 0.000 0.283 661 T C -0.908 173.860 174.700 0.114 0.000 1.009 661 T CA -0.969 61.178 62.100 0.078 0.000 1.051 661 T CB 0.300 69.192 68.868 0.040 0.000 0.999 661 T HN 0.138 nan 8.240 nan 0.000 0.474 662 F N 4.622 124.579 119.950 0.011 0.000 2.506 662 F HA 0.490 5.017 4.527 -0.001 0.000 0.371 662 F C 0.296 176.102 175.800 0.010 0.000 1.078 662 F CA -0.321 57.690 58.000 0.018 0.000 1.195 662 F CB 0.358 39.371 39.000 0.022 0.000 1.099 662 F HN 0.400 nan 8.300 nan 0.000 0.548 663 S N 7.580 122.890 115.700 -0.650 0.000 2.498 663 S HA 0.503 4.973 4.470 -0.001 0.000 0.317 663 S C -1.685 172.408 174.600 -0.844 0.000 1.090 663 S CA -1.369 56.440 58.200 -0.650 0.000 1.089 663 S CB 1.287 64.294 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 0.293 177.494 177.300 -0.166 0.000 1.153 664 P CA 0.256 63.116 63.100 -0.400 0.000 0.798 664 P CB -0.110 31.464 31.700 -0.211 0.000 0.796 665 A N 0.872 123.587 122.820 -0.175 0.000 2.586 665 A HA -0.065 4.254 4.320 -0.001 0.000 0.231 665 A C 0.619 178.173 177.584 -0.051 0.000 1.055 665 A CA -0.024 51.952 52.037 -0.101 0.000 0.756 665 A CB -0.419 18.506 19.000 -0.125 0.000 0.988 665 A HN 0.092 nan 8.150 nan 0.000 0.509 666 K N 0.835 121.236 120.400 0.003 0.000 2.524 666 K HA 0.012 4.332 4.320 -0.001 0.000 0.279 666 K C -0.729 175.905 176.600 0.056 0.000 0.993 666 K CA 0.257 56.588 56.287 0.073 0.000 1.030 666 K CB 0.041 32.595 32.500 0.091 0.000 0.891 666 K HN 0.485 nan 8.250 nan 0.000 0.488 667 F N 3.017 122.971 119.950 0.007 0.000 2.467 667 F HA 0.216 4.743 4.527 -0.001 0.000 0.362 667 F C 0.705 176.431 175.800 -0.124 0.000 1.090 667 F CA 0.604 58.548 58.000 -0.092 0.000 1.202 667 F CB 1.180 40.117 39.000 -0.104 0.000 1.113 667 F HN 0.667 nan 8.300 nan 0.000 0.541 668 A N 3.034 125.721 122.820 -0.222 0.000 2.474 668 A HA 0.156 4.476 4.320 -0.001 0.000 0.221 668 A C 0.510 177.980 177.584 -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 -0.401 0.000 2.411 669 S HA 0.640 5.110 4.470 -0.001 0.000 0.304 669 S C -0.975 173.511 174.600 -0.190 0.000 1.098 669 S CA -0.251 57.821 58.200 -0.213 0.000 1.068 669 S CB -0.618 62.450 63.200 -0.219 0.000 1.032 669 S HN 0.201 nan 8.310 nan 0.000 0.511 670 F N 3.366 123.453 119.950 0.228 0.000 2.579 670 F HA 0.554 5.081 4.527 -0.001 0.000 0.324 670 F C 0.417 176.306 175.800 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 40.461 39.000 0.257 0.000 1.245 670 F HN 0.295 nan 8.300 nan 0.000 0.477 671 I N 1.787 122.563 120.570 0.343 0.000 2.416 671 I HA 0.118 4.287 4.170 -0.001 0.000 0.288 671 I C 0.289 176.528 176.117 0.203 0.000 1.051 671 I CA -0.392 61.033 61.300 0.209 0.000 1.375 671 I CB 0.928 39.017 38.000 0.148 0.000 1.407 671 I HN 0.593 nan 8.210 nan 0.000 0.516 672 T N 4.396 119.039 114.554 0.149 0.000 2.834 672 T HA 0.407 4.757 4.350 -0.001 0.000 0.298 672 T C -0.368 174.399 174.700 0.111 0.000 0.966 672 T CA -0.602 61.566 62.100 0.114 0.000 1.141 672 T CB 0.909 69.822 68.868 0.074 0.000 0.905 672 T HN 0.745 nan 8.240 nan 0.000 0.535 673 Q N 2.054 121.922 119.800 0.112 0.000 2.527 673 Q HA 0.540 4.880 4.340 -0.001 0.000 0.280 673 Q C -1.708 174.382 176.000 0.151 0.000 0.977 673 Q CA -1.346 54.532 55.803 0.124 0.000 0.837 673 Q CB 1.235 30.004 28.738 0.052 0.000 1.454 673 Q HN 0.868 nan 8.270 nan 0.000 0.387 674 Y N -1.018 119.263 120.300 -0.033 0.000 2.633 674 Y HA 0.890 5.440 4.550 -0.001 0.000 0.339 674 Y C -0.789 175.100 175.900 -0.017 0.000 1.045 674 Y CA -0.719 57.356 58.100 -0.042 0.000 1.098 674 Y CB 1.977 40.395 38.460 -0.071 0.000 1.296 674 Y HN 0.871 nan 8.280 nan 0.000 0.494 675 S N 0.339 116.020 115.700 -0.032 0.000 2.599 675 S HA 0.814 5.283 4.470 -0.001 0.000 0.294 675 S C -0.874 173.667 174.600 -0.098 0.000 1.094 675 S CA -0.451 57.692 58.200 -0.095 0.000 0.931 675 S CB 1.852 65.130 63.200 0.130 0.000 1.093 675 S HN 1.113 nan 8.310 nan 0.000 0.488 676 T N -0.320 113.990 114.554 -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 -1.168 0.000 1.265 676 T CA 0.237 61.831 62.100 -0.842 0.000 1.036 676 T CB 1.030 69.638 68.868 -0.433 0.000 1.209 676 T HN 1.687 nan 8.240 nan 0.000 0.484 677 G N 2.127 109.775 108.800 -1.920 0.000 2.489 677 G HA2 0.552 4.511 3.960 -0.001 0.000 0.305 677 G HA3 0.552 4.511 3.960 -0.001 0.000 0.305 677 G C -1.988 172.223 174.900 -1.149 0.000 1.311 677 G CA -0.667 43.729 45.100 -1.173 0.000 0.813 677 G HN 0.746 nan 8.290 nan 0.000 0.480 678 Q N -1.273 118.185 119.800 -0.569 0.000 2.215 678 Q HA 0.733 5.073 4.340 -0.001 0.000 0.256 678 Q C -0.587 175.218 176.000 -0.325 0.000 0.972 678 Q CA -0.707 54.811 55.803 -0.475 0.000 0.889 678 Q CB 2.398 30.731 28.738 -0.674 0.000 1.281 678 Q HN 0.786 nan 8.270 nan 0.000 0.456 679 V N 0.290 120.143 119.914 -0.103 0.000 2.709 679 V HA 0.798 4.917 4.120 -0.001 0.000 0.308 679 V C -1.413 174.589 176.094 -0.153 0.000 1.062 679 V CA -0.290 61.911 62.300 -0.164 0.000 0.901 679 V CB 2.267 34.099 31.823 0.015 0.000 1.003 679 V HN 0.696 nan 8.190 nan 0.000 0.425 680 S N 4.149 119.764 115.700 -0.141 0.000 2.526 680 S HA 0.878 5.347 4.470 -0.001 0.000 0.293 680 S C -1.413 173.054 174.600 -0.222 0.000 1.092 680 S CA -0.469 57.676 58.200 -0.091 0.000 0.980 680 S CB 1.707 64.971 63.200 0.106 0.000 1.048 680 S HN 0.852 nan 8.310 nan 0.000 0.483 681 V N 4.378 124.193 119.914 -0.166 0.000 2.524 681 V HA 0.476 4.596 4.120 -0.001 0.000 0.297 681 V C -0.495 175.550 176.094 -0.083 0.000 1.035 681 V CA -0.664 61.537 62.300 -0.165 0.000 0.867 681 V CB 1.591 33.212 31.823 -0.336 0.000 1.004 681 V HN 0.897 nan 8.190 nan 0.000 0.426 682 E N 5.347 125.499 120.200 -0.080 0.000 2.145 682 E HA 0.664 5.013 4.350 -0.001 0.000 0.270 682 E C -1.455 175.092 176.600 -0.087 0.000 0.906 682 E CA -0.507 55.849 56.400 -0.074 0.000 0.761 682 E CB 1.459 31.096 29.700 -0.104 0.000 1.116 682 E HN 0.658 nan 8.360 nan 0.000 0.408 683 I N 3.393 123.900 120.570 -0.105 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 39.809 38.000 -0.455 0.000 1.267 683 I HN 0.537 nan 8.210 nan 0.000 0.430 684 E N 5.385 125.330 120.200 -0.425 0.000 2.175 684 E HA 0.353 4.703 4.350 -0.001 0.000 0.278 684 E C -1.946 174.385 176.600 -0.449 0.000 0.969 684 E CA -0.616 55.609 56.400 -0.293 0.000 0.796 684 E CB 1.200 30.799 29.700 -0.169 0.000 1.104 684 E HN 0.392 nan 8.360 nan 0.000 0.395 685 W N 2.884 124.140 121.300 -0.073 0.000 2.587 685 W HA 0.305 4.965 4.660 -0.001 0.000 0.324 685 W C -0.092 176.465 176.519 0.063 0.000 1.040 685 W CA -0.756 56.592 57.345 0.006 0.000 1.222 685 W CB 1.205 30.726 29.460 0.101 0.000 1.381 685 W HN 0.461 nan 8.180 nan 0.000 0.483 686 E N 3.351 123.732 120.200 0.301 0.000 2.227 686 E HA 0.464 4.813 4.350 -0.001 0.000 0.282 686 E C -0.987 175.960 176.600 0.578 0.000 1.015 686 E CA -0.399 56.203 56.400 0.336 0.000 0.823 686 E CB 0.772 30.611 29.700 0.231 0.000 1.081 686 E HN 0.458 nan 8.360 nan 0.000 0.396 687 L N 3.674 125.175 121.223 0.463 0.000 2.325 687 L HA 0.361 4.701 4.340 -0.001 0.000 0.278 687 L C -0.063 176.917 176.870 0.184 0.000 1.023 687 L CA -0.743 54.343 54.840 0.409 0.000 0.811 687 L CB 1.675 43.908 42.059 0.292 0.000 1.249 687 L HN 0.548 nan 8.230 nan 0.000 0.431 688 Q N 3.213 122.988 119.800 -0.043 0.000 2.368 688 Q HA 0.226 4.566 4.340 -0.001 0.000 0.256 688 Q C -0.820 175.110 176.000 -0.117 0.000 0.980 688 Q CA -0.780 54.823 55.803 -0.333 0.000 0.887 688 Q CB 1.116 29.416 28.738 -0.731 0.000 1.221 688 Q HN 0.341 nan 8.270 nan 0.000 0.458 689 K N 2.328 122.634 120.400 -0.156 0.000 2.258 689 K HA 0.065 4.385 4.320 -0.001 0.000 0.264 689 K C -0.159 176.146 176.600 -0.492 0.000 1.007 689 K CA -0.089 56.068 56.287 -0.217 0.000 0.941 689 K CB 0.927 33.321 32.500 -0.177 0.000 0.966 689 K HN 0.674 nan 8.250 nan 0.000 0.480 690 E N 2.219 122.037 120.200 -0.638 0.000 2.316 690 E HA -0.033 4.316 4.350 -0.001 0.000 0.275 690 E C -0.879 175.119 176.600 -1.004 0.000 1.029 690 E CA -0.004 55.608 56.400 -1.314 0.000 0.871 690 E CB 0.445 29.572 29.700 -0.956 0.000 1.022 690 E HN 0.411 nan 8.360 nan 0.000 0.418 691 N N 2.984 120.983 118.700 -1.169 0.000 2.750 691 N HA 0.100 4.839 4.740 -0.001 0.000 0.253 691 N C -1.922 173.469 175.510 -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 39.277 38.487 -0.285 0.000 1.191 691 N HN 0.203 nan 8.380 nan 0.000 0.511 692 S N 1.034 116.643 115.700 -0.153 0.000 2.503 692 S HA 0.462 4.932 4.470 -0.001 0.000 0.301 692 S C 0.173 174.801 174.600 0.048 0.000 1.087 692 S CA -0.590 57.658 58.200 0.081 0.000 1.042 692 S CB 0.701 64.027 63.200 0.210 0.000 1.043 692 S HN 0.302 nan 8.310 nan 0.000 0.489 693 K N 2.151 122.606 120.400 0.092 0.000 2.440 693 K HA 0.151 4.470 4.320 -0.001 0.000 0.206 693 K C 0.266 176.948 176.600 0.137 0.000 1.025 693 K CA -0.250 56.094 56.287 0.095 0.000 1.135 693 K CB -0.061 32.493 32.500 0.092 0.000 0.856 693 K HN 0.548 nan 8.250 nan 0.000 0.502 694 R N 0.986 121.567 120.500 0.135 0.000 2.502 694 R HA -0.109 4.230 4.340 -0.001 0.000 0.292 694 R C 1.070 177.470 176.300 0.168 0.000 0.998 694 R CA 0.246 56.439 56.100 0.154 0.000 1.056 694 R CB 0.038 30.421 30.300 0.138 0.000 0.939 694 R HN 0.287 nan 8.270 nan 0.000 0.411 695 W N 5.812 127.131 121.300 0.031 0.000 2.441 695 W HA -0.076 4.584 4.660 -0.001 0.000 0.302 695 W C -0.256 176.276 176.519 0.022 0.000 1.191 695 W CA 0.949 58.307 57.345 0.021 0.000 1.327 695 W CB -0.113 29.358 29.460 0.018 0.000 1.128 695 W HN 0.747 nan 8.180 nan 0.000 0.522 696 N N 1.945 120.758 118.700 0.189 0.000 2.503 696 N HA 0.147 4.887 4.740 -0.001 0.000 0.267 696 N C -2.739 172.778 175.510 0.011 0.000 1.214 696 N CA -1.300 51.800 53.050 0.083 0.000 0.959 696 N CB -0.393 38.190 38.487 0.159 0.000 1.142 696 N HN -0.133 nan 8.380 nan 0.000 0.455 697 P HA 0.059 nan 4.420 nan 0.000 0.267 697 P C -0.245 177.076 177.300 0.035 0.000 1.200 697 P CA 0.314 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 1.214 121.444 120.200 0.050 0.000 2.254 698 E HA 0.381 4.731 4.350 -0.001 0.000 0.261 698 E C 0.234 176.891 176.600 0.094 0.000 1.051 698 E CA -1.056 55.395 56.400 0.084 0.000 0.902 698 E CB 0.923 30.694 29.700 0.117 0.000 1.168 698 E HN 0.440 nan 8.360 nan 0.000 0.423 699 I N -0.953 119.685 120.570 0.113 0.000 2.529 699 I HA 0.154 4.324 4.170 -0.001 0.000 0.284 699 I C -0.347 175.928 176.117 0.264 0.000 1.082 699 I CA -0.363 61.022 61.300 0.142 0.000 1.406 699 I CB 0.534 38.591 38.000 0.094 0.000 1.405 699 I HN 0.181 nan 8.210 nan 0.000 0.548 700 Q N 4.870 124.829 119.800 0.265 0.000 2.387 700 Q HA 0.307 4.646 4.340 -0.001 0.000 0.273 700 Q C -1.343 174.843 176.000 0.310 0.000 1.089 700 Q CA -0.807 55.158 55.803 0.270 0.000 0.824 700 Q CB 2.670 31.471 28.738 0.106 0.000 1.367 700 Q HN 0.796 nan 8.270 nan 0.000 0.443 701 Y N 0.829 121.082 120.300 -0.077 0.000 2.346 701 Y HA 0.301 4.851 4.550 -0.001 0.000 0.330 701 Y C -0.119 175.785 175.900 0.006 0.000 1.178 701 Y CA 0.846 58.904 58.100 -0.070 0.000 1.331 701 Y CB 0.972 39.169 38.460 -0.439 0.000 1.253 701 Y HN 0.620 nan 8.280 nan 0.000 0.529 702 T N 3.609 117.796 114.554 -0.610 0.000 2.840 702 T HA 0.443 4.793 4.350 -0.001 0.000 0.317 702 T C -1.223 173.238 174.700 -0.399 0.000 1.401 702 T CA -0.746 61.178 62.100 -0.294 0.000 1.028 702 T CB 0.844 69.659 68.868 -0.088 0.000 1.317 702 T HN 0.625 nan 8.240 nan 0.000 0.495 703 S N 1.861 117.509 115.700 -0.087 0.000 2.632 703 S HA 0.407 4.877 4.470 -0.001 0.000 0.271 703 S C 0.055 174.676 174.600 0.034 0.000 1.260 703 S CA -0.698 57.503 58.200 0.002 0.000 1.010 703 S CB 0.281 63.548 63.200 0.112 0.000 0.965 703 S HN 0.732 nan 8.310 nan 0.000 0.534 704 N N 1.717 120.433 118.700 0.027 0.000 2.416 704 N HA 0.072 4.811 4.740 -0.001 0.000 0.265 704 N C 0.610 176.131 175.510 0.019 0.000 1.195 704 N CA -0.154 52.903 53.050 0.011 0.000 0.943 704 N CB 0.183 38.636 38.487 -0.056 0.000 1.115 704 N HN 0.738 nan 8.380 nan 0.000 0.481 705 Y N 1.012 121.312 120.300 -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 57.699 58.100 0.006 0.000 1.314 705 Y CB -0.236 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 2.823 121.154 118.700 -0.616 0.000 2.441 706 N HA -0.064 4.675 4.740 -0.001 0.000 0.251 706 N C -0.365 175.025 175.510 -0.200 0.000 1.242 706 N CA -0.000 52.747 53.050 -0.504 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 0.872 121.189 120.400 -0.138 0.000 2.437 707 K HA -0.035 4.284 4.320 -0.001 0.000 0.277 707 K C -0.222 176.338 176.600 -0.067 0.000 1.073 707 K CA 0.421 56.667 56.287 -0.069 0.000 1.105 707 K CB 0.170 32.641 32.500 -0.048 0.000 0.881 707 K HN 0.442 nan 8.250 nan 0.000 0.475 708 S N 2.744 118.417 115.700 -0.046 0.000 2.634 708 S HA 0.352 4.822 4.470 -0.001 0.000 0.296 708 S C 0.858 175.441 174.600 -0.030 0.000 1.104 708 S CA -1.044 57.131 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 2.699 122.593 119.914 -0.033 0.000 2.238 709 V HA 0.023 4.143 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 1.383 63.665 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 -0.745 117.935 118.700 -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 0.041 4.161 4.120 -0.001 0.000 0.287 711 V C -0.069 176.042 176.094 0.028 0.000 1.051 711 V CA -0.398 61.920 62.300 0.030 0.000 1.010 711 V CB 0.827 32.688 31.823 0.062 0.000 0.988 711 V HN 0.610 nan 8.190 nan 0.000 0.478 712 D N 4.243 124.684 120.400 0.068 0.000 2.493 712 D HA 0.183 4.823 4.640 -0.001 0.000 0.240 712 D C 0.109 176.543 176.300 0.222 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 0.322 176.150 175.800 0.045 0.000 1.048 713 F CA 0.345 58.289 58.000 -0.093 0.000 1.134 713 F CB -1.763 37.299 39.000 0.103 0.000 1.440 713 F HN 0.163 nan 8.300 nan 0.000 0.799 714 T N -0.837 113.680 114.554 -0.061 0.000 2.792 714 T HA 0.686 5.036 4.350 -0.001 0.000 0.303 714 T C -0.181 174.470 174.700 -0.081 0.000 1.310 714 T CA -0.427 61.715 62.100 0.070 0.000 1.007 714 T CB 2.144 71.048 68.868 0.059 0.000 1.335 714 T HN 0.363 nan 8.240 nan 0.000 0.504 715 V N 0.386 120.257 119.914 -0.071 0.000 2.953 715 V HA 0.705 4.825 4.120 -0.001 0.000 0.304 715 V C 0.039 176.085 176.094 -0.080 0.000 1.073 715 V CA -0.631 61.592 62.300 -0.128 0.000 1.064 715 V CB 0.646 32.368 31.823 -0.168 0.000 1.047 715 V HN 0.989 nan 8.190 nan 0.000 0.478 716 D N 0.997 121.351 120.400 -0.077 0.000 2.589 716 D HA 0.293 4.932 4.640 -0.001 0.000 0.268 716 D C 1.421 177.699 176.300 -0.036 0.000 1.182 716 D CA 0.256 54.221 54.000 -0.057 0.000 1.087 716 D CB -0.008 40.751 40.800 -0.067 0.000 1.186 716 D HN 0.670 nan 8.370 nan 0.000 0.620 717 T N -2.146 112.390 114.554 -0.030 0.000 2.737 717 T HA -0.243 4.107 4.350 -0.001 0.000 0.269 717 T C 0.828 175.518 174.700 -0.015 0.000 1.040 717 T CA 1.667 63.755 62.100 -0.019 0.000 1.142 717 T CB -0.977 67.880 68.868 -0.019 0.000 0.861 717 T HN 0.605 nan 8.240 nan 0.000 0.456 718 N N 0.862 119.550 118.700 -0.019 0.000 2.380 718 N HA 0.440 5.180 4.740 -0.001 0.000 0.255 718 N C 0.688 176.191 175.510 -0.013 0.000 1.158 718 N CA -0.085 52.957 53.050 -0.013 0.000 0.878 718 N CB 0.081 38.561 38.487 -0.013 0.000 1.138 718 N HN 0.577 nan 8.380 nan 0.000 0.509 719 G N 0.019 108.808 108.800 -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 -0.761 174.123 174.900 -0.028 0.000 0.984 719 G CA 0.133 45.220 45.100 -0.021 0.000 1.339 719 G HN 0.356 nan 8.290 nan 0.000 0.485 720 V N 2.854 122.735 119.914 -0.054 0.000 2.532 720 V HA 0.366 4.485 4.120 -0.001 0.000 0.294 720 V C -0.041 176.003 176.094 -0.084 0.000 1.036 720 V CA -1.329 60.943 62.300 -0.047 0.000 0.876 720 V CB 1.518 33.317 31.823 -0.040 0.000 1.012 720 V HN 0.609 nan 8.190 nan 0.000 0.432 721 Y N 4.512 124.669 120.300 -0.238 0.000 2.511 721 Y HA 0.492 5.042 4.550 -0.001 0.000 0.332 721 Y C 0.686 176.487 175.900 -0.166 0.000 1.177 721 Y CA 0.306 58.229 58.100 -0.294 0.000 1.422 721 Y CB 1.060 39.279 38.460 -0.401 0.000 1.271 721 Y HN 0.733 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 -1.599 172.500 174.600 -0.835 0.000 1.150 722 S CA -1.189 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 3.002 122.816 120.200 -0.644 0.000 2.130 723 E HA 0.254 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 0.732 30.279 29.700 -0.255 0.000 1.078 723 E HN 0.369 nan 8.360 nan 0.000 0.396 724 P HA -0.169 nan 4.420 nan 0.000 0.214 724 P C -0.010 177.125 177.300 -0.275 0.000 1.162 724 P CA 1.323 64.122 63.100 -0.501 0.000 0.879 724 P CB 0.227 31.633 31.700 -0.489 0.000 0.786 725 R N -2.020 118.361 120.500 -0.198 0.000 2.808 725 R HA 0.589 4.929 4.340 -0.001 0.000 0.272 725 R C -3.217 173.133 176.300 0.083 0.000 0.995 725 R CA -2.369 53.735 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 0.171 nan 4.420 nan 0.000 0.271 726 P C -0.595 176.833 177.300 0.214 0.000 1.216 726 P CA -0.259 62.867 63.100 0.044 0.000 0.771 726 P CB 0.483 32.178 31.700 -0.008 0.000 0.864 727 I N 2.688 123.406 120.570 0.247 0.000 2.339 727 I HA 0.309 4.479 4.170 -0.001 0.000 0.290 727 I C 1.272 177.747 176.117 0.596 0.000 0.994 727 I CA -0.265 61.242 61.300 0.345 0.000 1.191 727 I CB 0.854 38.909 38.000 0.092 0.000 1.343 727 I HN 0.415 nan 8.210 nan 0.000 0.458 728 G N 3.630 112.815 108.800 0.641 0.000 2.468 728 G HA2 0.243 4.203 3.960 -0.001 0.000 0.264 728 G HA3 0.243 4.203 3.960 -0.001 0.000 0.264 728 G C 0.511 175.638 174.900 0.378 0.000 1.460 728 G CA 0.302 45.683 45.100 0.469 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 0.255 0.000 3.073 729 T HA 0.170 4.520 4.350 -0.001 0.000 0.264 729 T C 0.798 175.637 174.700 0.232 0.000 0.893 729 T CA -0.283 61.914 62.100 0.162 0.000 0.863 729 T CB 0.108 69.038 68.868 0.103 0.000 1.247 729 T HN 0.320 nan 8.240 nan 0.000 0.546 730 R N 1.290 121.915 120.500 0.209 0.000 2.825 730 R HA 0.341 4.680 4.340 -0.001 0.000 0.261 730 R C -0.346 176.006 176.300 0.087 0.000 1.341 730 R CA -0.168 55.979 56.100 0.077 0.000 1.353 730 R CB 0.198 30.441 30.300 -0.094 0.000 1.191 730 R HN 0.337 nan 8.270 nan 0.000 0.590 731 Y N 0.217 120.543 120.300 0.044 0.000 2.559 731 Y HA 0.181 4.731 4.550 -0.001 0.000 0.279 731 Y C 0.954 176.904 175.900 0.084 0.000 1.117 731 Y CA 0.019 58.163 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 0.842 122.229 121.223 0.274 0.000 2.439 732 L HA 0.319 4.659 4.340 -0.001 0.000 0.261 732 L C 0.445 177.390 176.870 0.125 0.000 1.153 732 L CA -0.398 54.614 54.840 0.286 0.000 0.808 732 L CB 0.915 43.297 42.059 0.538 0.000 1.126 732 L HN 0.081 nan 8.230 nan 0.000 0.460 733 T N -0.028 114.593 114.554 0.112 0.000 2.829 733 T HA 0.552 4.902 4.350 -0.001 0.000 0.280 733 T C -0.512 174.070 174.700 -0.196 0.000 0.999 733 T CA -0.898 61.183 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 2.080 122.381 120.500 -0.331 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 -0.700 55.159 56.100 -0.402 0.000 0.945 734 R CB 1.396 31.071 30.300 -1.041 0.000 1.194 734 R HN 0.761 nan 8.270 nan 0.000 0.476 735 N N 1.035 119.727 118.700 -0.013 0.000 2.463 735 N HA 0.284 5.024 4.740 -0.001 0.000 0.270 735 N C -0.136 175.438 175.510 0.107 0.000 1.205 735 N CA -0.392 52.697 53.050 0.066 0.000 0.974 735 N CB 0.575 39.090 38.487 0.047 0.000 1.197 735 N HN 0.364 nan 8.380 nan 0.000 0.504 736 L N 0.000 121.254 121.223 0.052 0.000 2.949 736 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 736 L CA 0.000 54.793 54.840 -0.078 0.000 0.813 736 L CB 0.000 41.947 42.059 -0.186 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502