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_J DATA FIRST_RESID 217 DATA SEQUENCE GADGVGNSSG NWHCDSQWLG DRVITTSTRT WALPTYNNHL YKQISSQSGA DATA SEQUENCE SNDNHYFGYS TPWGYFDFNR FHCHFSPRDW QRLINNNWGF RPKKLSFKLF DATA SEQUENCE NIQVKEVTQN DGTTTIANNL TSTVQVFTDS EYQLPYVLGS AHQGCLPPFP DATA SEQUENCE ADVFMVPQYG YLTLNNGSQA VGRSSFYCLE YFPSQMLRTG NNFQFSYTFE DATA SEQUENCE DVPFHSSYAH SQSLDRLMNP LIDQYLYYLN RTQGTTSGTT NQSRLLFSQA DATA SEQUENCE GPQSMSLQAR NWLPGPCYRQ QRLSKTANDN NNSNFPWTAA SKYHLNGRDS DATA SEQUENCE LVNPGPAMAS HKDDEEKFFP MHGNLIFGKE GTTASNAELD NVMITDEEEI DATA SEQUENCE RTTNPVATEQ YGTVANNLQS SNTAPTTRTV NDQGALPGMV WQDRDVYLQG DATA SEQUENCE PIWAKIPHTD GHFHPSPLMG GFGLKHPPPQ IMIKNTPVPA NPPTTFSPAK DATA SEQUENCE FASFITQYST GQVSVEIEWE LQKENSKRWN PEIQYTSNYN KSVNVDFTVD DATA SEQUENCE TNGVYSEPRP IGTRYLTRNL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 217 G HA2 0.000 nan 3.960 nan 0.000 0.244 217 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 217 G C 0.000 174.926 174.900 0.044 0.000 0.946 217 G CA 0.000 45.116 45.100 0.026 0.000 0.502 218 A N 2.533 125.374 122.820 0.035 0.000 2.446 218 A HA 0.825 5.145 4.320 -0.001 0.000 0.282 218 A C -0.997 176.606 177.584 0.033 0.000 1.102 218 A CA -0.576 51.485 52.037 0.040 0.000 0.737 218 A CB 1.691 20.712 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 0.700 177.018 176.300 0.031 0.000 1.151 219 D CA 0.220 54.238 54.000 0.031 0.000 1.089 219 D CB 1.416 42.235 40.800 0.032 0.000 1.295 219 D HN 0.670 nan 8.370 nan 0.000 0.631 220 G N -0.747 108.070 108.800 0.027 0.000 2.642 220 G HA2 0.433 4.392 3.960 -0.001 0.000 0.291 220 G HA3 0.433 4.392 3.960 -0.001 0.000 0.291 220 G C 0.883 175.798 174.900 0.024 0.000 1.345 220 G CA -0.298 44.816 45.100 0.023 0.000 1.043 220 G HN 0.205 nan 8.290 nan 0.000 0.528 221 V N 0.550 120.475 119.914 0.018 0.000 2.255 221 V HA 0.033 4.153 4.120 -0.001 0.000 0.243 221 V C 2.526 178.628 176.094 0.014 0.000 1.038 221 V CA 2.118 64.427 62.300 0.015 0.000 1.008 221 V CB -0.651 31.178 31.823 0.009 0.000 0.645 221 V HN 0.760 nan 8.190 nan 0.000 0.449 222 G N 0.753 109.559 108.800 0.011 0.000 3.530 222 G HA2 0.148 4.108 3.960 -0.001 0.000 0.269 222 G HA3 0.148 4.108 3.960 -0.001 0.000 0.269 222 G C -0.030 174.878 174.900 0.014 0.000 1.314 222 G CA 0.021 45.127 45.100 0.010 0.000 1.441 222 G HN 0.472 nan 8.290 nan 0.000 0.595 223 N N -0.017 118.695 118.700 0.020 0.000 2.519 223 N HA 0.266 5.005 4.740 -0.001 0.000 0.291 223 N C -0.059 175.474 175.510 0.038 0.000 1.107 223 N CA -0.524 52.541 53.050 0.025 0.000 0.904 223 N CB 1.404 39.904 38.487 0.022 0.000 1.500 223 N HN 0.036 nan 8.380 nan 0.000 0.510 224 S N 1.541 117.267 115.700 0.043 0.000 2.549 224 S HA 0.085 4.555 4.470 -0.001 0.000 0.286 224 S C 0.834 175.480 174.600 0.076 0.000 1.314 224 S CA -0.224 58.017 58.200 0.070 0.000 1.062 224 S CB 0.667 63.912 63.200 0.075 0.000 0.865 224 S HN 0.611 nan 8.310 nan 0.000 0.498 225 S N 1.111 116.884 115.700 0.121 0.000 2.618 225 S HA 0.581 5.050 4.470 -0.001 0.000 0.242 225 S C 0.655 175.300 174.600 0.076 0.000 0.972 225 S CA -0.254 58.014 58.200 0.113 0.000 1.004 225 S CB -0.697 62.596 63.200 0.155 0.000 0.778 225 S HN 1.544 nan 8.310 nan 0.000 0.459 226 G N 0.361 109.170 108.800 0.015 0.000 2.328 226 G HA2 0.324 4.283 3.960 -0.001 0.000 0.299 226 G HA3 0.324 4.283 3.960 -0.001 0.000 0.299 226 G C -1.900 172.901 174.900 -0.165 0.000 1.435 226 G CA -1.073 43.852 45.100 -0.292 0.000 0.865 226 G HN 0.281 nan 8.290 nan 0.000 0.601 227 N N -1.027 117.487 118.700 -0.311 0.000 2.545 227 N HA 0.466 5.206 4.740 -0.001 0.000 0.289 227 N C -1.009 174.406 175.510 -0.158 0.000 1.279 227 N CA -0.849 52.094 53.050 -0.178 0.000 0.824 227 N CB 2.208 40.518 38.487 -0.294 0.000 1.395 227 N HN 0.532 nan 8.380 nan 0.000 0.526 228 W N 2.577 123.725 121.300 -0.254 0.000 2.367 228 W HA 0.190 4.849 4.660 -0.001 0.000 0.329 228 W C -1.055 175.293 176.519 -0.284 0.000 1.066 228 W CA 0.025 57.294 57.345 -0.126 0.000 1.435 228 W CB -0.087 29.344 29.460 -0.049 0.000 1.296 228 W HN 0.479 nan 8.180 nan 0.000 0.401 229 H N 5.317 124.292 119.070 -0.158 0.000 2.700 229 H HA 0.181 4.736 4.556 -0.001 0.000 0.269 229 H C -0.206 174.995 175.328 -0.212 0.000 1.222 229 H CA -0.215 55.762 56.048 -0.117 0.000 1.254 229 H CB 0.971 30.658 29.762 -0.126 0.000 1.413 229 H HN 0.165 nan 8.280 nan 0.000 0.507 230 C N 4.108 123.409 119.300 0.002 0.000 2.437 230 C HA 0.386 4.846 4.460 -0.001 0.000 0.307 230 C C -0.543 174.500 174.990 0.089 0.000 1.093 230 C CA -0.278 58.746 59.018 0.009 0.000 1.463 230 C CB -0.707 27.094 27.740 0.102 0.000 1.926 230 C HN 0.873 nan 8.230 nan 0.000 0.420 231 D N 1.918 122.345 120.400 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 0.180 54.209 54.000 0.048 0.000 0.830 231 D CB 2.296 43.135 40.800 0.066 0.000 1.356 231 D HN 0.595 nan 8.370 nan 0.000 0.437 232 S N 0.505 116.208 115.700 0.005 0.000 2.562 232 S HA 0.703 5.173 4.470 -0.001 0.000 0.274 232 S C -1.863 172.722 174.600 -0.025 0.000 1.160 232 S CA -0.811 57.347 58.200 -0.069 0.000 0.933 232 S CB 1.560 64.692 63.200 -0.115 0.000 1.100 232 S HN 0.422 nan 8.310 nan 0.000 0.468 233 Q N 1.423 121.162 119.800 -0.100 0.000 2.416 233 Q HA 0.747 5.086 4.340 -0.001 0.000 0.281 233 Q C -1.865 174.086 176.000 -0.082 0.000 1.067 233 Q CA -0.502 55.317 55.803 0.027 0.000 0.809 233 Q CB 0.486 29.268 28.738 0.073 0.000 1.418 233 Q HN 0.743 nan 8.270 nan 0.000 0.411 234 W N 1.419 122.738 121.300 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 56.589 57.345 0.035 0.000 1.236 234 W CB 1.013 30.488 29.460 0.025 0.000 1.307 234 W HN 0.487 nan 8.180 nan 0.000 0.567 235 L N 3.296 124.660 121.223 0.235 0.000 3.122 235 L HA 0.244 4.584 4.340 -0.001 0.000 0.274 235 L C 1.623 178.577 176.870 0.139 0.000 1.222 235 L CA 0.719 55.646 54.840 0.145 0.000 1.028 235 L CB -0.672 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 1.048 109.963 108.800 0.192 0.000 2.412 236 G HA2 -0.434 3.526 3.960 -0.001 0.000 0.252 236 G HA3 -0.434 3.526 3.960 -0.001 0.000 0.252 236 G C 0.940 175.909 174.900 0.116 0.000 1.038 236 G CA 1.107 46.284 45.100 0.129 0.000 0.628 236 G HN 0.396 nan 8.290 nan 0.000 0.531 237 D N 0.028 120.499 120.400 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 0.938 55.004 54.000 0.110 0.000 0.846 237 D CB 0.247 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 -1.608 118.988 120.500 0.159 0.000 2.741 238 R HA 0.573 4.913 4.340 -0.001 0.000 0.276 238 R C -2.040 174.320 176.300 0.101 0.000 1.028 238 R CA -0.993 55.201 56.100 0.156 0.000 0.865 238 R CB 1.043 31.408 30.300 0.109 0.000 1.268 238 R HN -0.121 nan 8.270 nan 0.000 0.475 239 V N 1.666 121.602 119.914 0.037 0.000 2.760 239 V HA 0.594 4.714 4.120 -0.001 0.000 0.309 239 V C -1.601 174.443 176.094 -0.084 0.000 1.077 239 V CA -0.868 61.301 62.300 -0.219 0.000 0.910 239 V CB 1.939 33.318 31.823 -0.740 0.000 1.008 239 V HN 0.678 nan 8.190 nan 0.000 0.424 240 I N 5.714 126.186 120.570 -0.164 0.000 2.362 240 I HA 0.539 4.708 4.170 -0.001 0.000 0.289 240 I C 0.406 176.441 176.117 -0.137 0.000 0.994 240 I CA 0.017 61.266 61.300 -0.085 0.000 1.158 240 I CB 2.057 40.007 38.000 -0.082 0.000 1.315 240 I HN 0.792 nan 8.210 nan 0.000 0.451 241 T N 1.447 115.959 114.554 -0.071 0.000 2.771 241 T HA 0.724 5.074 4.350 -0.001 0.000 0.281 241 T C -0.126 174.552 174.700 -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 69.761 68.868 -0.216 0.000 0.930 241 T HN 0.475 nan 8.240 nan 0.000 0.447 242 T N 2.438 116.965 114.554 -0.045 0.000 2.829 242 T HA 0.676 5.025 4.350 -0.001 0.000 0.280 242 T C -0.537 174.137 174.700 -0.045 0.000 0.999 242 T CA -0.808 61.268 62.100 -0.040 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 1.606 117.263 115.700 -0.071 0.000 2.619 243 S HA 0.661 5.131 4.470 -0.001 0.000 0.280 243 S C -0.904 173.563 174.600 -0.221 0.000 1.150 243 S CA -0.555 57.574 58.200 -0.119 0.000 0.978 243 S CB 0.973 64.122 63.200 -0.085 0.000 1.041 243 S HN 0.712 nan 8.310 nan 0.000 0.485 244 T N 5.428 119.734 114.554 -0.415 0.000 2.863 244 T HA 0.709 5.058 4.350 -0.001 0.000 0.285 244 T C -0.805 173.534 174.700 -0.602 0.000 1.009 244 T CA -0.947 60.745 62.100 -0.681 0.000 0.989 244 T CB 1.140 69.184 68.868 -1.373 0.000 1.004 244 T HN 0.487 nan 8.240 nan 0.000 0.455 245 R N 1.011 121.369 120.500 -0.236 0.000 2.774 245 R HA 0.603 4.943 4.340 -0.001 0.000 0.272 245 R C -0.922 175.564 176.300 0.311 0.000 1.000 245 R CA -0.811 55.398 56.100 0.182 0.000 0.906 245 R CB 1.650 32.145 30.300 0.326 0.000 1.227 245 R HN 0.575 nan 8.270 nan 0.000 0.468 246 T N 2.709 117.492 114.554 0.382 0.000 2.837 246 T HA 0.544 4.894 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 0.640 69.564 68.868 0.094 0.000 0.947 246 T HN 0.462 nan 8.240 nan 0.000 0.472 247 W N 0.566 121.795 121.300 -0.119 0.000 2.864 247 W HA 0.820 5.480 4.660 -0.001 0.000 0.343 247 W C -1.442 174.901 176.519 -0.293 0.000 1.109 247 W CA -1.690 55.350 57.345 -0.507 0.000 1.192 247 W CB 1.352 30.500 29.460 -0.520 0.000 1.426 247 W HN 0.736 nan 8.180 nan 0.000 0.529 248 A N 2.945 125.764 122.820 -0.003 0.000 2.386 248 A HA 0.789 5.109 4.320 -0.001 0.000 0.311 248 A C -2.154 175.549 177.584 0.200 0.000 1.068 248 A CA -0.789 51.304 52.037 0.094 0.000 0.743 248 A CB 2.002 21.009 19.000 0.011 0.000 1.258 248 A HN 0.692 nan 8.150 nan 0.000 0.429 249 L N 3.681 125.074 121.223 0.282 0.000 2.404 249 L HA 0.672 5.012 4.340 -0.001 0.000 0.272 249 L C -2.646 174.277 176.870 0.089 0.000 0.980 249 L CA -1.556 53.386 54.840 0.169 0.000 0.836 249 L CB 2.129 44.315 42.059 0.211 0.000 1.238 249 L HN 0.451 nan 8.230 nan 0.000 0.408 250 P HA 0.382 nan 4.420 nan 0.000 0.312 250 P C -1.035 176.103 177.300 -0.270 0.000 1.308 250 P CA -0.386 62.576 63.100 -0.231 0.000 0.743 250 P CB 0.577 31.972 31.700 -0.508 0.000 1.364 251 T N 0.133 114.497 114.554 -0.317 0.000 2.929 251 T HA 0.356 4.705 4.350 -0.001 0.000 0.331 251 T C -0.491 173.991 174.700 -0.363 0.000 1.120 251 T CA -0.041 61.864 62.100 -0.326 0.000 0.973 251 T CB -0.990 67.644 68.868 -0.391 0.000 1.036 251 T HN 0.108 nan 8.240 nan 0.000 0.502 252 Y N 2.147 122.347 120.300 -0.166 0.000 2.397 252 Y HA 0.124 4.674 4.550 -0.001 0.000 0.335 252 Y C 1.721 177.538 175.900 -0.139 0.000 1.213 252 Y CA 0.041 58.068 58.100 -0.120 0.000 1.391 252 Y CB 0.305 38.725 38.460 -0.068 0.000 1.293 252 Y HN 0.694 nan 8.280 nan 0.000 0.557 253 N N 1.725 120.483 118.700 0.096 0.000 2.690 253 N HA -0.411 4.328 4.740 -0.001 0.000 0.249 253 N C -0.194 175.308 175.510 -0.015 0.000 1.125 253 N CA 0.806 53.879 53.050 0.039 0.000 0.794 253 N CB -0.575 37.938 38.487 0.043 0.000 1.152 253 N HN 0.784 nan 8.380 nan 0.000 0.571 254 N N -0.061 118.569 118.700 -0.117 0.000 2.735 254 N HA -0.202 4.537 4.740 -0.001 0.000 0.248 254 N C -0.575 174.847 175.510 -0.147 0.000 1.083 254 N CA 2.029 54.975 53.050 -0.173 0.000 0.703 254 N CB -1.730 36.753 38.487 -0.007 0.000 1.005 254 N HN 0.764 nan 8.380 nan 0.000 0.550 255 H N -2.872 116.151 119.070 -0.078 0.000 2.899 255 H HA -0.189 4.367 4.556 -0.001 0.000 0.282 255 H C -0.180 175.148 175.328 0.000 0.000 1.198 255 H CA 1.125 57.093 56.048 -0.133 0.000 1.140 255 H CB -1.204 28.341 29.762 -0.361 0.000 1.317 255 H HN 0.302 nan 8.280 nan 0.000 0.375 256 L N 0.401 121.694 121.223 0.117 0.000 2.362 256 L HA 0.445 4.784 4.340 -0.001 0.000 0.271 256 L C -0.156 176.807 176.870 0.156 0.000 1.002 256 L CA -1.010 53.946 54.840 0.194 0.000 0.818 256 L CB 1.218 43.385 42.059 0.181 0.000 1.298 256 L HN 0.029 nan 8.230 nan 0.000 0.420 257 Y N 2.242 122.686 120.300 0.239 0.000 2.404 257 Y HA 0.291 4.841 4.550 -0.001 0.000 0.344 257 Y C -0.004 176.038 175.900 0.235 0.000 0.995 257 Y CA -0.212 58.061 58.100 0.289 0.000 1.201 257 Y CB 0.839 39.536 38.460 0.395 0.000 1.151 257 Y HN 0.297 nan 8.280 nan 0.000 0.517 258 K N 2.999 123.580 120.400 0.301 0.000 2.292 258 K HA 0.244 4.563 4.320 -0.001 0.000 0.257 258 K C -0.687 175.999 176.600 0.142 0.000 0.940 258 K CA -1.026 55.372 56.287 0.184 0.000 0.811 258 K CB 1.876 34.429 32.500 0.089 0.000 1.120 258 K HN 0.591 nan 8.250 nan 0.000 0.428 259 Q N 4.764 124.588 119.800 0.041 0.000 2.296 259 Q HA 0.247 4.587 4.340 -0.001 0.000 0.262 259 Q C -0.646 175.117 176.000 -0.395 0.000 0.981 259 Q CA -0.307 55.292 55.803 -0.341 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 0.727 120.928 120.570 -0.615 0.000 2.740 260 I HA 0.821 4.991 4.170 -0.001 0.000 0.303 260 I C -0.654 175.062 176.117 -0.670 0.000 1.044 260 I CA -0.712 60.316 61.300 -0.452 0.000 1.064 260 I CB 2.331 40.174 38.000 -0.261 0.000 1.249 260 I HN 0.771 nan 8.210 nan 0.000 0.433 261 S N 2.163 117.536 115.700 -0.545 0.000 2.724 261 S HA 0.529 4.999 4.470 -0.001 0.000 0.278 261 S C -0.567 173.640 174.600 -0.654 0.000 1.190 261 S CA -0.334 57.438 58.200 -0.714 0.000 0.860 261 S CB 0.805 63.891 63.200 -0.189 0.000 1.206 261 S HN 1.051 nan 8.310 nan 0.000 0.507 262 S N 0.961 116.407 115.700 -0.423 0.000 2.601 262 S HA 0.473 4.942 4.470 -0.001 0.000 0.271 262 S C -0.084 174.552 174.600 0.059 0.000 1.305 262 S CA -0.580 57.624 58.200 0.006 0.000 1.022 262 S CB 0.553 63.904 63.200 0.250 0.000 0.940 262 S HN 0.751 nan 8.310 nan 0.000 0.525 263 Q N 1.584 121.431 119.800 0.078 0.000 2.286 263 Q HA 0.068 4.408 4.340 -0.001 0.000 0.290 263 Q C -0.313 175.724 176.000 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 0.129 4.598 4.470 -0.001 0.000 0.344 264 S C 0.835 175.471 174.600 0.060 0.000 1.066 264 S CA 0.667 58.900 58.200 0.057 0.000 1.721 264 S CB -0.932 62.285 63.200 0.029 0.000 1.330 264 S HN 0.820 nan 8.310 nan 0.000 0.623 265 G N 1.856 110.719 108.800 0.106 0.000 2.248 265 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.263 265 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.263 265 G C 0.590 175.500 174.900 0.017 0.000 1.082 265 G CA 0.085 45.233 45.100 0.079 0.000 0.863 265 G HN 0.897 nan 8.290 nan 0.000 0.495 266 A N -1.207 121.601 122.820 -0.019 0.000 1.924 266 A HA 0.766 5.086 4.320 -0.001 0.000 0.211 266 A C 1.313 178.830 177.584 -0.113 0.000 1.198 266 A CA 1.880 53.884 52.037 -0.055 0.000 0.657 266 A CB 0.491 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 -2.514 113.057 115.700 -0.215 0.000 2.547 267 S HA 0.346 4.816 4.470 -0.001 0.000 0.270 267 S C 0.196 174.510 174.600 -0.477 0.000 1.150 267 S CA -0.312 57.730 58.200 -0.263 0.000 0.850 267 S CB 1.303 64.366 63.200 -0.229 0.000 1.118 267 S HN 0.464 nan 8.310 nan 0.000 0.461 268 N N 0.810 119.364 118.700 -0.244 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 0.295 53.314 53.050 -0.052 0.000 0.885 268 N CB 0.063 38.605 38.487 0.092 0.000 1.135 268 N HN 0.525 nan 8.380 nan 0.000 0.435 269 D N 0.644 121.039 120.400 -0.008 0.000 2.363 269 D HA 0.012 4.652 4.640 -0.001 0.000 0.226 269 D C 0.006 176.308 176.300 0.003 0.000 1.020 269 D CA 0.620 54.647 54.000 0.045 0.000 0.892 269 D CB -0.250 40.592 40.800 0.070 0.000 0.900 269 D HN 0.462 nan 8.370 nan 0.000 0.531 270 N N -0.589 118.072 118.700 -0.066 0.000 2.200 270 N HA -0.003 4.736 4.740 -0.001 0.000 0.224 270 N C -0.023 175.523 175.510 0.060 0.000 1.179 270 N CA -0.373 52.641 53.050 -0.060 0.000 0.877 270 N CB 0.711 39.111 38.487 -0.145 0.000 1.072 270 N HN 0.059 nan 8.380 nan 0.000 0.519 271 H N 1.311 120.466 119.070 0.141 0.000 2.928 271 H HA 0.027 4.582 4.556 -0.001 0.000 0.338 271 H C -0.469 175.042 175.328 0.306 0.000 1.047 271 H CA 0.651 56.820 56.048 0.201 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 0.206 0.000 2.656 272 Y HA 0.513 5.063 4.550 -0.001 0.000 0.334 272 Y C -2.157 173.862 175.900 0.198 0.000 1.179 272 Y CA -1.377 56.816 58.100 0.156 0.000 1.050 272 Y CB 1.517 40.025 38.460 0.080 0.000 1.308 272 Y HN 0.383 nan 8.280 nan 0.000 0.456 273 F N 1.143 121.023 119.950 -0.116 0.000 2.596 273 F HA 0.842 5.368 4.527 -0.001 0.000 0.311 273 F C -0.354 175.356 175.800 -0.150 0.000 1.116 273 F CA 0.001 57.845 58.000 -0.261 0.000 0.957 273 F CB 2.086 40.982 39.000 -0.172 0.000 1.250 273 F HN 1.076 nan 8.300 nan 0.000 0.444 274 G N 2.810 111.043 108.800 -0.946 0.000 2.500 274 G HA2 0.451 4.410 3.960 -0.001 0.000 0.299 274 G HA3 0.451 4.410 3.960 -0.001 0.000 0.299 274 G C -2.439 171.802 174.900 -1.099 0.000 1.242 274 G CA -0.599 44.083 45.100 -0.697 0.000 0.859 274 G HN 0.552 nan 8.290 nan 0.000 0.481 275 Y N -0.892 119.020 120.300 -0.647 0.000 2.581 275 Y HA 0.755 5.305 4.550 -0.001 0.000 0.345 275 Y C 0.144 175.832 175.900 -0.353 0.000 1.036 275 Y CA -0.768 57.073 58.100 -0.431 0.000 1.042 275 Y CB 2.657 41.009 38.460 -0.181 0.000 1.289 275 Y HN 0.557 nan 8.280 nan 0.000 0.471 276 S N 1.096 116.828 115.700 0.053 0.000 2.552 276 S HA 0.595 5.065 4.470 -0.001 0.000 0.314 276 S C -0.713 173.934 174.600 0.078 0.000 1.099 276 S CA -0.572 57.638 58.200 0.016 0.000 1.070 276 S CB 0.323 63.518 63.200 -0.009 0.000 0.998 276 S HN 0.701 nan 8.310 nan 0.000 0.474 277 T N 2.338 116.927 114.554 0.057 0.000 2.945 277 T HA 0.601 4.951 4.350 -0.001 0.000 0.286 277 T C -2.535 172.143 174.700 -0.037 0.000 1.025 277 T CA -2.097 59.955 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 -0.119 62.952 63.100 -0.049 0.000 0.781 278 P CB -0.177 31.448 31.700 -0.125 0.000 1.088 279 W N 0.424 121.733 121.300 0.014 0.000 2.438 279 W HA 0.569 5.229 4.660 -0.001 0.000 0.324 279 W C 1.042 177.580 176.519 0.032 0.000 1.119 279 W CA -0.081 57.292 57.345 0.046 0.000 1.221 279 W CB 0.983 30.466 29.460 0.038 0.000 1.253 279 W HN -0.157 nan 8.180 nan 0.000 0.555 280 G N 1.126 110.055 108.800 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 -3.087 117.079 120.300 -0.224 0.000 2.641 281 Y HA 0.684 5.233 4.550 -0.001 0.000 0.333 281 Y C -1.830 173.891 175.900 -0.298 0.000 1.174 281 Y CA -2.087 55.864 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 1.953 121.895 119.950 -0.014 0.000 2.404 282 F HA 0.502 5.029 4.527 -0.001 0.000 0.339 282 F C -0.167 175.674 175.800 0.067 0.000 1.105 282 F CA 0.001 58.029 58.000 0.047 0.000 1.087 282 F CB 1.439 40.538 39.000 0.165 0.000 1.143 282 F HN 0.586 nan 8.300 nan 0.000 0.491 283 D N 2.677 123.206 120.400 0.215 0.000 2.780 283 D HA 0.429 5.068 4.640 -0.001 0.000 0.242 283 D C -0.873 175.494 176.300 0.111 0.000 1.135 283 D CA -0.501 53.517 54.000 0.029 0.000 0.859 283 D CB 1.154 41.977 40.800 0.038 0.000 1.530 283 D HN 0.293 nan 8.370 nan 0.000 0.493 284 F N 1.060 121.105 119.950 0.158 0.000 2.608 284 F HA 0.391 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 57.255 58.000 0.132 0.000 1.123 284 F CB -0.916 38.238 39.000 0.258 0.000 1.207 284 F HN 0.273 nan 8.300 nan 0.000 0.512 285 N N 1.313 119.855 118.700 -0.264 0.000 2.375 285 N HA 0.181 4.921 4.740 -0.001 0.000 0.220 285 N C -0.196 175.107 175.510 -0.345 0.000 1.170 285 N CA -0.096 52.562 53.050 -0.653 0.000 0.833 285 N CB 0.257 38.159 38.487 -0.975 0.000 1.069 285 N HN 0.349 nan 8.380 nan 0.000 0.479 286 R N -0.540 119.858 120.500 -0.170 0.000 2.637 286 R HA 0.223 4.562 4.340 -0.001 0.000 0.291 286 R C 0.075 176.305 176.300 -0.117 0.000 0.963 286 R CA -0.643 55.319 56.100 -0.230 0.000 0.901 286 R CB 0.958 30.973 30.300 -0.475 0.000 1.160 286 R HN 0.121 nan 8.270 nan 0.000 0.457 287 F N 0.905 120.872 119.950 0.028 0.000 2.171 287 F HA -0.168 4.358 4.527 -0.001 0.000 0.300 287 F C 2.252 178.154 175.800 0.170 0.000 1.090 287 F CA 1.619 59.750 58.000 0.218 0.000 1.293 287 F CB -0.065 38.913 39.000 -0.037 0.000 1.013 287 F HN 0.714 nan 8.300 nan 0.000 0.486 288 H N -2.950 116.240 119.070 0.200 0.000 2.563 288 H HA -0.011 4.545 4.556 -0.001 0.000 0.272 288 H C 1.680 177.051 175.328 0.071 0.000 1.005 288 H CA 0.403 56.516 56.048 0.107 0.000 1.171 288 H CB -1.452 28.336 29.762 0.042 0.000 1.351 288 H HN 0.236 nan 8.280 nan 0.000 0.602 289 C N 0.542 119.792 119.300 -0.083 0.000 2.448 289 C HA -0.002 4.457 4.460 -0.001 0.000 0.280 289 C C 1.732 176.480 174.990 -0.404 0.000 1.398 289 C CA 0.850 59.704 59.018 -0.272 0.000 1.774 289 C CB -0.634 26.803 27.740 -0.505 0.000 1.888 289 C HN 0.800 nan 8.230 nan 0.000 0.519 290 H N -2.927 116.241 119.070 0.164 0.000 2.545 290 H HA 0.225 4.780 4.556 -0.001 0.000 0.251 290 H C -0.040 175.214 175.328 -0.124 0.000 0.934 290 H CA 0.152 56.210 56.048 0.017 0.000 1.116 290 H CB -0.112 29.681 29.762 0.051 0.000 1.439 290 H HN 0.311 nan 8.280 nan 0.000 0.445 291 F N 3.496 123.600 119.950 0.257 0.000 2.411 291 F HA 0.209 4.736 4.527 -0.001 0.000 0.355 291 F C 1.107 176.993 175.800 0.144 0.000 1.117 291 F CA -0.804 57.310 58.000 0.190 0.000 1.139 291 F CB 1.082 40.262 39.000 0.300 0.000 1.120 291 F HN -0.019 nan 8.300 nan 0.000 0.493 292 S N 3.941 119.796 115.700 0.258 0.000 2.584 292 S HA 0.219 4.688 4.470 -0.001 0.000 0.270 292 S C -1.861 172.844 174.600 0.175 0.000 1.346 292 S CA -1.013 57.297 58.200 0.184 0.000 1.018 292 S CB 1.218 64.506 63.200 0.146 0.000 0.899 292 S HN 0.360 nan 8.310 nan 0.000 0.542 293 P HA -0.142 nan 4.420 nan 0.000 0.215 293 P C 1.735 179.021 177.300 -0.024 0.000 1.157 293 P CA 1.213 64.214 63.100 -0.166 0.000 0.874 293 P CB -0.057 31.405 31.700 -0.396 0.000 0.790 294 R N 0.399 120.930 120.500 0.051 0.000 2.103 294 R HA -0.163 4.176 4.340 -0.001 0.000 0.242 294 R C 1.774 178.151 176.300 0.127 0.000 1.142 294 R CA 1.998 58.146 56.100 0.080 0.000 0.960 294 R CB -1.657 28.703 30.300 0.101 0.000 0.858 294 R HN 0.120 nan 8.270 nan 0.000 0.439 295 D N -0.610 119.939 120.400 0.248 0.000 2.097 295 D HA -0.221 4.419 4.640 -0.001 0.000 0.195 295 D C 1.654 178.179 176.300 0.375 0.000 0.989 295 D CA 1.207 55.475 54.000 0.447 0.000 0.827 295 D CB -0.615 40.514 40.800 0.548 0.000 0.966 295 D HN 0.374 nan 8.370 nan 0.000 0.456 296 W N 2.042 123.372 121.300 0.051 0.000 2.325 296 W HA -0.242 4.418 4.660 -0.001 0.000 0.299 296 W C 2.155 178.522 176.519 -0.254 0.000 1.215 296 W CA 1.450 58.665 57.345 -0.217 0.000 1.244 296 W CB -0.095 29.193 29.460 -0.287 0.000 1.140 296 W HN 0.114 nan 8.180 nan 0.000 0.523 297 Q N 0.319 120.070 119.800 -0.083 0.000 2.084 297 Q HA -0.217 4.123 4.340 -0.001 0.000 0.202 297 Q C 2.388 178.256 176.000 -0.221 0.000 0.978 297 Q CA 1.829 57.519 55.803 -0.189 0.000 0.844 297 Q CB -0.199 28.497 28.738 -0.070 0.000 0.898 297 Q HN 0.266 nan 8.270 nan 0.000 0.426 298 R N 0.162 120.546 120.500 -0.194 0.000 2.081 298 R HA -0.126 4.214 4.340 -0.001 0.000 0.235 298 R C 2.480 178.563 176.300 -0.361 0.000 1.131 298 R CA 1.348 57.228 56.100 -0.366 0.000 0.960 298 R CB -0.484 29.412 30.300 -0.674 0.000 0.856 298 R HN 0.330 nan 8.270 nan 0.000 0.436 299 L N 0.786 121.884 121.223 -0.207 0.000 1.976 299 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 299 L C 2.148 178.801 176.870 -0.360 0.000 1.071 299 L CA 1.279 55.987 54.840 -0.220 0.000 0.746 299 L CB -0.198 41.562 42.059 -0.499 0.000 0.890 299 L HN 0.134 nan 8.230 nan 0.000 0.432 300 I N 0.629 120.866 120.570 -0.554 0.000 2.208 300 I HA -0.300 3.869 4.170 -0.001 0.000 0.245 300 I C 1.796 177.780 176.117 -0.221 0.000 1.097 300 I CA 1.463 62.481 61.300 -0.469 0.000 1.363 300 I CB -1.564 36.056 38.000 -0.632 0.000 1.051 300 I HN 0.434 nan 8.210 nan 0.000 0.413 301 N N 0.936 119.507 118.700 -0.216 0.000 2.398 301 N HA -0.025 4.715 4.740 -0.001 0.000 0.188 301 N C 0.871 176.347 175.510 -0.057 0.000 1.122 301 N CA 0.351 53.338 53.050 -0.104 0.000 0.866 301 N CB -0.026 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 4.834 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 52.949 53.050 -0.083 0.000 0.896 302 N CB 0.915 39.310 38.487 -0.154 0.000 1.097 302 N HN 0.111 nan 8.380 nan 0.000 0.507 303 N N -0.218 118.514 118.700 0.053 0.000 2.346 303 N HA 0.146 4.886 4.740 -0.001 0.000 0.289 303 N C 0.277 175.998 175.510 0.352 0.000 1.027 303 N CA -0.434 52.692 53.050 0.128 0.000 0.864 303 N CB 1.680 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 1.998 123.286 121.300 -0.021 0.000 2.341 304 W HA -0.130 4.529 4.660 -0.001 0.000 0.283 304 W C 1.091 177.643 176.519 0.055 0.000 1.215 304 W CA 0.230 57.549 57.345 -0.044 0.000 1.211 304 W CB 0.396 29.742 29.460 -0.190 0.000 1.131 304 W HN 0.616 nan 8.180 nan 0.000 0.552 305 G N -1.612 107.379 108.800 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 0.589 0.000 1.330 305 G CA -0.572 44.743 45.100 0.359 0.000 0.813 305 G HN 0.128 nan 8.290 nan 0.000 0.487 306 F N -1.408 118.963 119.950 0.702 0.000 2.858 306 F HA 0.931 5.457 4.527 -0.001 0.000 0.319 306 F C -0.886 175.314 175.800 0.667 0.000 1.166 306 F CA -1.135 57.314 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 -0.044 120.781 120.500 0.540 0.000 2.728 307 R HA 0.725 5.064 4.340 -0.001 0.000 0.274 307 R C -3.642 172.628 176.300 -0.051 0.000 1.032 307 R CA -1.853 54.207 56.100 -0.067 0.000 0.866 307 R CB 1.740 31.717 30.300 -0.539 0.000 1.263 307 R HN 0.396 nan 8.270 nan 0.000 0.475 308 P HA 0.357 nan 4.420 nan 0.000 0.279 308 P C -0.767 176.025 177.300 -0.847 0.000 1.252 308 P CA -0.597 61.768 63.100 -1.225 0.000 0.811 308 P CB 1.223 31.595 31.700 -2.214 0.000 1.035 309 K N 0.528 120.528 120.400 -0.667 0.000 2.524 309 K HA 0.289 4.608 4.320 -0.001 0.000 0.210 309 K C 0.379 176.966 176.600 -0.022 0.000 1.340 309 K CA 0.806 56.938 56.287 -0.258 0.000 0.880 309 K CB 0.286 32.669 32.500 -0.194 0.000 1.616 309 K HN 0.360 nan 8.250 nan 0.000 0.457 310 K N 0.219 120.579 120.400 -0.068 0.000 2.378 310 K HA 0.566 4.886 4.320 -0.001 0.000 0.244 310 K C -1.342 175.290 176.600 0.052 0.000 1.039 310 K CA -0.954 55.323 56.287 -0.017 0.000 0.863 310 K CB 1.983 34.417 32.500 -0.111 0.000 1.326 310 K HN -0.071 nan 8.250 nan 0.000 0.460 311 L N -0.289 120.937 121.223 0.004 0.000 2.565 311 L HA 0.394 4.734 4.340 -0.001 0.000 0.261 311 L C -1.851 174.985 176.870 -0.056 0.000 0.932 311 L CA 0.028 54.883 54.840 0.025 0.000 0.878 311 L CB 2.421 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 4.502 120.177 115.700 -0.041 0.000 2.605 312 S HA 0.654 5.123 4.470 -0.001 0.000 0.308 312 S C -1.244 173.394 174.600 0.064 0.000 1.113 312 S CA -0.287 57.889 58.200 -0.040 0.000 1.049 312 S CB 1.011 64.153 63.200 -0.097 0.000 1.001 312 S HN 0.496 nan 8.310 nan 0.000 0.480 313 F N 3.411 123.369 119.950 0.014 0.000 2.469 313 F HA 0.687 5.214 4.527 -0.001 0.000 0.332 313 F C -0.280 175.591 175.800 0.117 0.000 1.103 313 F CA -0.488 57.571 58.000 0.098 0.000 0.979 313 F CB 0.986 40.174 39.000 0.314 0.000 1.137 313 F HN 0.416 nan 8.300 nan 0.000 0.463 314 K N 7.286 127.313 120.400 -0.621 0.000 2.535 314 K HA 0.533 4.852 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 -0.606 55.547 56.287 -0.223 0.000 0.798 314 K CB 1.576 34.042 32.500 -0.057 0.000 1.267 314 K HN 0.773 nan 8.250 nan 0.000 0.434 315 L N 5.873 127.164 121.223 0.113 0.000 2.346 315 L HA 0.698 5.038 4.340 -0.001 0.000 0.276 315 L C -0.742 176.383 176.870 0.425 0.000 1.006 315 L CA -0.874 54.053 54.840 0.145 0.000 0.817 315 L CB 0.987 43.119 42.059 0.121 0.000 1.272 315 L HN 0.704 nan 8.230 nan 0.000 0.421 316 F N -0.635 119.419 119.950 0.173 0.000 2.877 316 F HA 0.366 4.893 4.527 -0.001 0.000 0.319 316 F C -0.165 175.705 175.800 0.116 0.000 1.174 316 F CA -1.470 56.608 58.000 0.129 0.000 0.903 316 F CB 1.076 40.118 39.000 0.070 0.000 1.357 316 F HN 0.484 nan 8.300 nan 0.000 0.472 317 N N 0.581 119.435 118.700 0.258 0.000 2.705 317 N HA -0.200 4.539 4.740 -0.001 0.000 0.255 317 N C -1.105 174.389 175.510 -0.027 0.000 1.008 317 N CA 0.519 53.631 53.050 0.104 0.000 0.742 317 N CB -1.068 37.485 38.487 0.109 0.000 0.906 317 N HN 0.487 nan 8.380 nan 0.000 0.541 318 I N 0.901 121.489 120.570 0.029 0.000 2.474 318 I HA 0.095 4.265 4.170 -0.001 0.000 0.287 318 I C 0.490 176.573 176.117 -0.057 0.000 1.048 318 I CA 0.114 61.411 61.300 -0.005 0.000 1.383 318 I CB 0.900 38.975 38.000 0.126 0.000 1.412 318 I HN 0.137 nan 8.210 nan 0.000 0.531 319 Q N 5.428 125.144 119.800 -0.139 0.000 2.285 319 Q HA 0.510 4.849 4.340 -0.001 0.000 0.269 319 Q C -1.402 174.483 176.000 -0.191 0.000 1.030 319 Q CA -0.759 54.956 55.803 -0.148 0.000 0.788 319 Q CB 3.138 31.770 28.738 -0.177 0.000 1.266 319 Q HN 0.391 nan 8.270 nan 0.000 0.438 320 V N 3.333 123.154 119.914 -0.155 0.000 2.347 320 V HA 0.354 4.474 4.120 -0.001 0.000 0.280 320 V C -0.324 175.623 176.094 -0.246 0.000 1.021 320 V CA -0.634 61.552 62.300 -0.191 0.000 0.847 320 V CB 1.163 32.928 31.823 -0.095 0.000 0.990 320 V HN 0.545 nan 8.190 nan 0.000 0.444 321 K N 4.200 124.333 120.400 -0.445 0.000 2.244 321 K HA 0.563 4.882 4.320 -0.001 0.000 0.260 321 K C -0.350 176.116 176.600 -0.224 0.000 0.951 321 K CA -0.604 55.445 56.287 -0.396 0.000 0.826 321 K CB 2.523 34.639 32.500 -0.640 0.000 1.108 321 K HN 0.893 nan 8.250 nan 0.000 0.433 322 E N 0.285 120.452 120.200 -0.055 0.000 2.183 322 E HA 0.495 4.845 4.350 -0.001 0.000 0.271 322 E C -0.860 175.788 176.600 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 -1.041 175.089 176.094 0.060 0.000 1.064 323 V CA 0.004 62.359 62.300 0.092 0.000 0.952 323 V CB 2.113 33.996 31.823 0.100 0.000 1.020 323 V HN 1.022 nan 8.190 nan 0.000 0.439 324 T N 2.807 117.387 114.554 0.043 0.000 2.928 324 T HA 0.578 4.928 4.350 -0.001 0.000 0.296 324 T C -0.923 173.790 174.700 0.022 0.000 1.000 324 T CA -0.671 61.449 62.100 0.033 0.000 0.989 324 T CB 1.572 70.459 68.868 0.031 0.000 1.005 324 T HN 0.602 nan 8.240 nan 0.000 0.442 325 Q N 2.957 122.767 119.800 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 1.139 119.845 118.700 0.009 0.000 2.132 326 N HA -0.076 4.663 4.740 -0.001 0.000 0.187 326 N C 0.098 175.611 175.510 0.005 0.000 1.038 326 N CA 1.244 54.299 53.050 0.009 0.000 0.846 326 N CB 0.415 38.908 38.487 0.009 0.000 1.012 326 N HN 0.445 nan 8.380 nan 0.000 0.429 327 D N -1.627 118.775 120.400 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 0.493 54.494 54.000 0.002 0.000 1.400 327 D CB -0.477 40.324 40.800 0.001 0.000 0.975 327 D HN 0.226 nan 8.370 nan 0.000 0.212 328 G N -0.191 108.608 108.800 -0.001 0.000 3.839 328 G HA2 0.262 4.222 3.960 -0.001 0.000 0.286 328 G HA3 0.262 4.222 3.960 -0.001 0.000 0.286 328 G C -0.216 174.682 174.900 -0.004 0.000 1.005 328 G CA 0.109 45.208 45.100 -0.003 0.000 0.824 328 G HN 0.241 nan 8.290 nan 0.000 0.489 329 T N 0.689 115.241 114.554 -0.002 0.000 2.881 329 T HA 0.526 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 -0.269 61.830 62.100 -0.002 0.000 0.978 329 T CB 1.361 70.229 68.868 -0.001 0.000 0.997 329 T HN 0.112 nan 8.240 nan 0.000 0.443 330 T N 2.219 116.772 114.554 -0.002 0.000 2.738 330 T HA 0.534 4.883 4.350 -0.001 0.000 0.298 330 T C 0.413 175.118 174.700 0.008 0.000 0.962 330 T CA -0.800 61.301 62.100 0.001 0.000 0.972 330 T CB 0.265 69.128 68.868 -0.008 0.000 0.928 330 T HN 0.714 nan 8.240 nan 0.000 0.474 331 T N 1.999 116.562 114.554 0.015 0.000 2.837 331 T HA 0.663 5.013 4.350 -0.001 0.000 0.285 331 T C 0.003 174.723 174.700 0.034 0.000 0.984 331 T CA -0.941 61.171 62.100 0.020 0.000 1.049 331 T CB 0.500 69.378 68.868 0.016 0.000 0.947 331 T HN 0.645 nan 8.240 nan 0.000 0.472 332 I N 2.169 122.764 120.570 0.041 0.000 2.406 332 I HA 0.670 4.839 4.170 -0.001 0.000 0.290 332 I C 0.162 176.302 176.117 0.039 0.000 0.999 332 I CA -1.038 60.301 61.300 0.066 0.000 1.124 332 I CB 1.552 39.617 38.000 0.109 0.000 1.289 332 I HN 0.914 nan 8.210 nan 0.000 0.441 333 A N 5.329 128.164 122.820 0.026 0.000 2.479 333 A HA 0.626 4.945 4.320 -0.001 0.000 0.296 333 A C -0.892 176.679 177.584 -0.022 0.000 1.121 333 A CA -0.818 51.221 52.037 0.003 0.000 0.743 333 A CB 1.342 20.346 19.000 0.007 0.000 1.323 333 A HN 0.636 nan 8.150 nan 0.000 0.415 334 N N 1.980 120.663 118.700 -0.028 0.000 2.497 334 N HA 0.126 4.866 4.740 -0.001 0.000 0.271 334 N C -0.980 174.510 175.510 -0.034 0.000 1.142 334 N CA 0.174 53.197 53.050 -0.044 0.000 0.965 334 N CB 0.759 39.224 38.487 -0.036 0.000 1.077 334 N HN 0.590 nan 8.380 nan 0.000 0.462 335 N N 3.417 122.089 118.700 -0.046 0.000 2.699 335 N HA 0.204 4.944 4.740 -0.001 0.000 0.232 335 N C 0.899 176.392 175.510 -0.028 0.000 1.027 335 N CA -0.285 52.748 53.050 -0.029 0.000 0.920 335 N CB 0.330 38.802 38.487 -0.025 0.000 1.148 335 N HN 0.453 nan 8.380 nan 0.000 0.509 336 L N 0.987 122.200 121.223 -0.017 0.000 2.156 336 L HA -0.066 4.274 4.340 -0.001 0.000 0.208 336 L C 1.985 178.853 176.870 -0.004 0.000 1.095 336 L CA 1.280 56.113 54.840 -0.012 0.000 0.770 336 L CB -0.453 41.602 42.059 -0.007 0.000 0.914 336 L HN 0.528 nan 8.230 nan 0.000 0.439 337 T N -4.374 110.179 114.554 -0.001 0.000 3.148 337 T HA 0.011 4.361 4.350 -0.001 0.000 0.253 337 T C 0.965 175.667 174.700 0.003 0.000 1.134 337 T CA -0.060 62.042 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 1.948 117.646 115.700 -0.003 0.000 2.601 338 S HA 0.522 4.991 4.470 -0.001 0.000 0.271 338 S C 0.416 175.016 174.600 0.001 0.000 1.305 338 S CA -0.421 57.775 58.200 -0.006 0.000 1.022 338 S CB 0.705 63.895 63.200 -0.016 0.000 0.940 338 S HN 0.743 nan 8.310 nan 0.000 0.525 339 T N 0.226 114.780 114.554 0.000 0.000 2.905 339 T HA 0.794 5.144 4.350 -0.001 0.000 0.283 339 T C -0.569 174.138 174.700 0.011 0.000 1.031 339 T CA -0.786 61.323 62.100 0.015 0.000 1.002 339 T CB 1.327 70.206 68.868 0.019 0.000 1.200 339 T HN 0.609 nan 8.240 nan 0.000 0.560 340 V N 0.149 120.082 119.914 0.033 0.000 3.087 340 V HA 0.523 4.643 4.120 -0.001 0.000 0.306 340 V C -1.791 174.325 176.094 0.038 0.000 1.187 340 V CA -0.789 61.525 62.300 0.024 0.000 0.999 340 V CB 2.403 34.272 31.823 0.077 0.000 1.049 340 V HN 1.067 nan 8.190 nan 0.000 0.431 341 Q N 3.481 123.284 119.800 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 3.363 123.374 119.914 0.162 0.000 2.823 342 V HA 0.745 4.864 4.120 -0.001 0.000 0.312 342 V C -0.719 175.413 176.094 0.063 0.000 1.072 342 V CA -0.829 61.450 62.300 -0.035 0.000 0.937 342 V CB 1.326 32.817 31.823 -0.553 0.000 1.013 342 V HN 0.790 nan 8.190 nan 0.000 0.430 343 F N 0.319 120.119 119.950 -0.250 0.000 2.817 343 F HA 0.805 5.332 4.527 -0.001 0.000 0.317 343 F C -0.901 174.705 175.800 -0.325 0.000 1.168 343 F CA -0.687 57.188 58.000 -0.208 0.000 0.911 343 F CB 1.980 40.897 39.000 -0.138 0.000 1.337 343 F HN 0.470 nan 8.300 nan 0.000 0.464 344 T N 0.679 115.091 114.554 -0.238 0.000 2.841 344 T HA 0.286 4.636 4.350 -0.001 0.000 0.285 344 T C -1.533 172.994 174.700 -0.289 0.000 0.991 344 T CA -0.409 61.391 62.100 -0.499 0.000 0.966 344 T CB 0.907 69.369 68.868 -0.677 0.000 0.962 344 T HN 0.835 nan 8.240 nan 0.000 0.438 345 D N 3.380 123.521 120.400 -0.432 0.000 2.498 345 D HA 0.249 4.889 4.640 -0.001 0.000 0.229 345 D C 0.857 176.915 176.300 -0.405 0.000 1.188 345 D CA 0.109 53.925 54.000 -0.308 0.000 1.028 345 D CB 0.063 40.647 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 0.007 4.477 4.470 -0.001 0.000 0.220 346 S C 1.251 175.564 174.600 -0.477 0.000 0.997 346 S CA 0.066 58.037 58.200 -0.382 0.000 0.919 346 S CB 0.230 63.375 63.200 -0.092 0.000 0.778 346 S HN 0.536 nan 8.310 nan 0.000 0.523 347 E N 0.294 120.330 120.200 -0.273 0.000 2.474 347 E HA 0.129 4.478 4.350 -0.001 0.000 0.195 347 E C -0.887 175.737 176.600 0.039 0.000 1.039 347 E CA -0.318 56.035 56.400 -0.078 0.000 0.881 347 E CB 0.055 29.763 29.700 0.013 0.000 0.970 347 E HN 0.539 nan 8.360 nan 0.000 0.486 348 Y N 0.513 120.830 120.300 0.027 0.000 3.078 348 Y HA -0.296 4.253 4.550 -0.001 0.000 0.202 348 Y C 1.049 176.934 175.900 -0.024 0.000 1.322 348 Y CA 0.318 58.412 58.100 -0.010 0.000 1.118 348 Y CB -2.419 36.028 38.460 -0.022 0.000 1.343 348 Y HN 0.205 nan 8.280 nan 0.000 0.499 349 Q N -0.108 119.736 119.800 0.073 0.000 2.396 349 Q HA 0.260 4.600 4.340 -0.001 0.000 0.209 349 Q C 0.374 176.292 176.000 -0.136 0.000 0.906 349 Q CA 0.182 56.016 55.803 0.051 0.000 0.927 349 Q CB 0.593 29.433 28.738 0.170 0.000 1.069 349 Q HN 0.551 nan 8.270 nan 0.000 0.523 350 L N 1.865 122.972 121.223 -0.193 0.000 2.325 350 L HA 0.383 4.723 4.340 -0.001 0.000 0.279 350 L C -2.227 174.486 176.870 -0.261 0.000 1.054 350 L CA -2.423 52.166 54.840 -0.419 0.000 0.804 350 L CB 0.966 42.755 42.059 -0.450 0.000 1.200 350 L HN -0.183 nan 8.230 nan 0.000 0.436 351 P HA -0.120 nan 4.420 nan 0.000 0.260 351 P C -1.077 176.263 177.300 0.067 0.000 1.185 351 P CA 0.164 63.216 63.100 -0.080 0.000 0.763 351 P CB -0.018 31.634 31.700 -0.080 0.000 0.776 352 Y N 4.150 124.445 120.300 -0.008 0.000 2.584 352 Y HA 0.118 4.668 4.550 -0.001 0.000 0.351 352 Y C 1.211 177.120 175.900 0.015 0.000 1.030 352 Y CA 0.287 58.394 58.100 0.011 0.000 1.332 352 Y CB 0.364 38.849 38.460 0.041 0.000 1.148 352 Y HN 0.150 nan 8.280 nan 0.000 0.528 353 V N 7.061 126.803 119.914 -0.285 0.000 3.621 353 V HA 0.128 4.248 4.120 -0.001 0.000 0.285 353 V C 0.524 176.433 176.094 -0.309 0.000 1.346 353 V CA 0.304 62.455 62.300 -0.249 0.000 1.104 353 V CB -0.610 31.019 31.823 -0.324 0.000 0.913 353 V HN 0.589 nan 8.190 nan 0.000 0.432 354 L N -0.246 120.624 121.223 -0.588 0.000 2.488 354 L HA 0.569 4.909 4.340 -0.001 0.000 0.249 354 L C 1.570 178.346 176.870 -0.158 0.000 1.151 354 L CA 0.299 54.888 54.840 -0.417 0.000 0.806 354 L CB -0.076 41.612 42.059 -0.617 0.000 1.261 354 L HN 0.282 nan 8.230 nan 0.000 0.484 355 G N 0.155 108.874 108.800 -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 0.523 45.581 45.100 -0.069 0.000 0.784 355 G HN 0.528 nan 8.290 nan 0.000 0.507 356 S N -0.497 115.202 115.700 -0.002 0.000 2.754 356 S HA 0.578 5.048 4.470 -0.001 0.000 0.247 356 S C 1.482 175.937 174.600 -0.242 0.000 1.031 356 S CA 0.983 59.134 58.200 -0.081 0.000 1.014 356 S CB 0.645 63.827 63.200 -0.030 0.000 0.918 356 S HN 2.145 nan 8.310 nan 0.000 0.519 357 A N 1.595 124.347 122.820 -0.114 0.000 2.847 357 A HA -0.220 4.100 4.320 -0.001 0.000 0.263 357 A C 0.421 177.950 177.584 -0.092 0.000 1.391 357 A CA 0.897 52.887 52.037 -0.079 0.000 0.866 357 A CB -2.278 16.683 19.000 -0.065 0.000 1.057 357 A HN 0.667 nan 8.150 nan 0.000 0.673 358 H N -0.118 118.954 119.070 0.004 0.000 2.767 358 H HA 0.252 4.807 4.556 -0.001 0.000 0.380 358 H C 1.010 176.361 175.328 0.038 0.000 1.409 358 H CA 0.930 56.992 56.048 0.023 0.000 1.463 358 H CB 0.289 30.075 29.762 0.040 0.000 1.514 358 H HN 0.744 nan 8.280 nan 0.000 0.619 359 Q N -1.196 118.722 119.800 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 55.646 55.803 0.126 0.000 0.919 359 Q CB 1.631 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 -0.422 108.425 108.800 0.077 0.000 2.138 360 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.193 360 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.193 360 G C 0.112 175.010 174.900 -0.004 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 0.247 119.535 119.300 -0.019 0.000 2.641 361 C HA 0.613 5.073 4.460 -0.001 0.000 0.318 361 C C 1.596 176.407 174.990 -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 2.383 123.425 121.223 -0.302 0.000 2.410 362 L HA 0.216 4.555 4.340 -0.001 0.000 0.273 362 L C -2.077 174.725 176.870 -0.114 0.000 1.152 362 L CA -1.109 53.470 54.840 -0.435 0.000 0.855 362 L CB -0.094 41.826 42.059 -0.232 0.000 1.129 362 L HN 0.387 nan 8.230 nan 0.000 0.463 363 P HA 0.023 nan 4.420 nan 0.000 0.262 363 P C -2.001 175.381 177.300 0.138 0.000 1.182 363 P CA -0.853 62.310 63.100 0.105 0.000 0.761 363 P CB 0.181 31.978 31.700 0.162 0.000 0.795 364 P HA -0.151 nan 4.420 nan 0.000 0.216 364 P C 0.211 177.514 177.300 0.003 0.000 1.150 364 P CA 1.248 64.410 63.100 0.103 0.000 0.843 364 P CB -0.020 31.623 31.700 -0.095 0.000 0.787 365 F N -0.204 119.587 119.950 -0.264 0.000 2.411 365 F HA 0.287 4.813 4.527 -0.001 0.000 0.350 365 F C -1.699 174.055 175.800 -0.077 0.000 1.114 365 F CA -3.003 54.772 58.000 -0.376 0.000 1.135 365 F CB 1.054 39.747 39.000 -0.512 0.000 1.120 365 F HN -0.111 nan 8.300 nan 0.000 0.495 366 P HA -0.149 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 1.753 64.762 63.100 -0.151 0.000 0.822 366 P CB 0.092 31.704 31.700 -0.146 0.000 0.784 367 A N -1.035 121.613 122.820 -0.287 0.000 2.119 367 A HA -0.054 4.265 4.320 -0.001 0.000 0.217 367 A C 0.658 178.351 177.584 0.182 0.000 1.153 367 A CA 0.725 52.760 52.037 -0.004 0.000 0.692 367 A CB -0.938 18.118 19.000 0.094 0.000 0.799 367 A HN 0.095 nan 8.150 nan 0.000 0.458 368 D N 0.161 120.714 120.400 0.255 0.000 2.348 368 D HA 0.379 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 0.141 54.299 54.000 0.263 0.000 0.876 368 D CB 1.385 42.353 40.800 0.280 0.000 1.160 368 D HN -0.020 nan 8.370 nan 0.000 0.459 369 V N 3.267 123.322 119.914 0.235 0.000 2.686 369 V HA 0.423 4.543 4.120 -0.001 0.000 0.295 369 V C 0.091 176.370 176.094 0.309 0.000 1.057 369 V CA -0.483 61.964 62.300 0.246 0.000 1.012 369 V CB 0.507 32.401 31.823 0.117 0.000 1.006 369 V HN 0.423 nan 8.190 nan 0.000 0.477 370 F N 2.523 122.563 119.950 0.149 0.000 2.593 370 F HA 0.777 5.303 4.527 -0.001 0.000 0.320 370 F C -0.458 175.422 175.800 0.134 0.000 1.060 370 F CA -1.348 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 3.285 122.925 119.600 0.066 0.000 2.264 371 M HA 0.526 5.005 4.480 -0.001 0.000 0.352 371 M C -1.339 174.959 176.300 -0.003 0.000 1.173 371 M CA -0.850 54.427 55.300 -0.039 0.000 1.075 371 M CB 1.537 34.163 32.600 0.044 0.000 1.621 371 M HN 0.611 nan 8.290 nan 0.000 0.457 372 V N 7.364 127.202 119.914 -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 -1.267 60.924 62.300 -0.181 0.000 1.016 372 V CB 0.457 32.033 31.823 -0.411 0.000 0.984 372 V HN 0.758 nan 8.190 nan 0.000 0.478 373 P HA 0.100 nan 4.420 nan 0.000 0.269 373 P C -0.575 176.425 177.300 -0.500 0.000 1.215 373 P CA -0.144 62.707 63.100 -0.415 0.000 0.780 373 P CB 0.470 31.734 31.700 -0.726 0.000 0.898 374 Q N 1.280 120.760 119.800 -0.533 0.000 2.230 374 Q HA 0.238 4.578 4.340 -0.001 0.000 0.248 374 Q C -1.314 174.698 176.000 0.020 0.000 0.915 374 Q CA -0.704 54.708 55.803 -0.651 0.000 0.900 374 Q CB 0.496 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 1.467 121.766 120.300 -0.000 0.000 2.327 375 Y HA 0.581 5.131 4.550 -0.001 0.000 0.336 375 Y C -0.298 175.603 175.900 0.003 0.000 1.035 375 Y CA 0.140 58.258 58.100 0.030 0.000 1.165 375 Y CB 1.224 39.710 38.460 0.044 0.000 1.181 375 Y HN 0.639 nan 8.280 nan 0.000 0.494 376 G N 5.073 113.510 108.800 -0.606 0.000 2.696 376 G HA2 0.527 4.487 3.960 -0.001 0.000 0.295 376 G HA3 0.527 4.487 3.960 -0.001 0.000 0.295 376 G C -2.295 172.300 174.900 -0.509 0.000 1.398 376 G CA -0.823 43.993 45.100 -0.473 0.000 0.920 376 G HN 0.743 nan 8.290 nan 0.000 0.492 377 Y N -1.058 119.040 120.300 -0.337 0.000 2.615 377 Y HA 0.822 5.372 4.550 -0.001 0.000 0.341 377 Y C -1.174 174.738 175.900 0.020 0.000 1.089 377 Y CA -1.694 56.295 58.100 -0.185 0.000 1.049 377 Y CB 1.537 39.917 38.460 -0.134 0.000 1.296 377 Y HN 0.467 nan 8.280 nan 0.000 0.470 378 L N 2.007 123.364 121.223 0.224 0.000 2.334 378 L HA 0.733 5.073 4.340 -0.001 0.000 0.273 378 L C -0.221 176.859 176.870 0.350 0.000 1.013 378 L CA -0.608 54.361 54.840 0.214 0.000 0.816 378 L CB 2.405 44.586 42.059 0.202 0.000 1.278 378 L HN 0.965 nan 8.230 nan 0.000 0.431 379 T N 0.346 115.103 114.554 0.340 0.000 2.688 379 T HA 0.452 4.801 4.350 -0.001 0.000 0.249 379 T C -0.891 173.988 174.700 0.299 0.000 0.944 379 T CA -0.681 61.649 62.100 0.383 0.000 1.058 379 T CB 0.884 70.034 68.868 0.470 0.000 1.673 379 T HN 0.118 nan 8.240 nan 0.000 0.565 380 L N 2.975 124.357 121.223 0.265 0.000 2.350 380 L HA 0.578 4.918 4.340 -0.001 0.000 0.275 380 L C -0.577 176.382 176.870 0.149 0.000 1.099 380 L CA -0.365 54.586 54.840 0.185 0.000 0.808 380 L CB 0.129 42.274 42.059 0.143 0.000 1.149 380 L HN 0.910 nan 8.230 nan 0.000 0.442 381 N N 1.283 120.049 118.700 0.110 0.000 2.331 381 N HA 0.328 5.068 4.740 -0.001 0.000 0.280 381 N C -1.380 174.136 175.510 0.010 0.000 1.155 381 N CA -0.735 52.341 53.050 0.043 0.000 0.822 381 N CB 0.944 39.504 38.487 0.122 0.000 1.619 381 N HN 0.363 nan 8.380 nan 0.000 0.476 382 N N 1.102 119.764 118.700 -0.064 0.000 2.816 382 N HA 0.436 5.176 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 0.051 38.493 38.487 -0.076 0.000 1.149 382 N HN 1.029 nan 8.380 nan 0.000 0.506 383 G N 2.341 111.056 108.800 -0.142 0.000 2.523 383 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.271 383 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.271 383 G C 0.790 175.482 174.900 -0.347 0.000 1.146 383 G CA 0.520 45.366 45.100 -0.423 0.000 0.961 383 G HN 0.776 nan 8.290 nan 0.000 0.549 384 S N 0.258 115.713 115.700 -0.409 0.000 2.528 384 S HA 0.302 4.771 4.470 -0.001 0.000 0.219 384 S C 1.074 175.603 174.600 -0.118 0.000 0.985 384 S CA 1.301 59.442 58.200 -0.099 0.000 0.914 384 S CB 0.234 63.428 63.200 -0.010 0.000 0.776 384 S HN 0.757 nan 8.310 nan 0.000 0.526 385 Q N 0.585 120.258 119.800 -0.212 0.000 2.237 385 Q HA 0.718 5.058 4.340 -0.001 0.000 0.219 385 Q C -0.319 175.391 176.000 -0.483 0.000 0.999 385 Q CA -0.412 55.203 55.803 -0.313 0.000 0.959 385 Q CB 1.170 29.771 28.738 -0.228 0.000 1.173 385 Q HN 0.490 nan 8.270 nan 0.000 0.527 386 A N 0.366 122.778 122.820 -0.680 0.000 2.346 386 A HA 0.703 5.023 4.320 -0.001 0.000 0.313 386 A C -0.688 176.708 177.584 -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 19.251 19.000 -1.248 0.000 1.332 386 A HN 0.465 nan 8.150 nan 0.000 0.457 387 V N -0.464 119.346 119.914 -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 62.565 62.300 -0.083 0.000 1.011 387 V CB 1.252 33.059 31.823 -0.026 0.000 1.221 387 V HN 1.131 nan 8.190 nan 0.000 0.454 388 G N -0.432 108.354 108.800 -0.024 0.000 2.464 388 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.217 388 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.217 388 G C 1.156 176.067 174.900 0.019 0.000 1.138 388 G CA -0.019 45.078 45.100 -0.006 0.000 0.793 388 G HN 0.576 nan 8.290 nan 0.000 0.539 389 R N 0.901 121.420 120.500 0.031 0.000 2.363 389 R HA 0.215 4.554 4.340 -0.001 0.000 0.236 389 R C 0.084 176.434 176.300 0.083 0.000 0.966 389 R CA -0.176 55.955 56.100 0.052 0.000 1.100 389 R CB 0.196 30.529 30.300 0.054 0.000 1.125 389 R HN 0.133 nan 8.270 nan 0.000 0.514 390 S N 0.360 116.117 115.700 0.095 0.000 2.584 390 S HA 0.219 4.689 4.470 -0.001 0.000 0.273 390 S C 0.070 174.766 174.600 0.160 0.000 1.311 390 S CA -0.282 58.019 58.200 0.168 0.000 1.034 390 S CB 1.711 65.039 63.200 0.213 0.000 0.939 390 S HN 0.060 nan 8.310 nan 0.000 0.513 391 S N 2.315 118.119 115.700 0.174 0.000 2.437 391 S HA 0.517 4.987 4.470 -0.001 0.000 0.305 391 S C -0.920 173.625 174.600 -0.092 0.000 1.109 391 S CA -0.550 57.610 58.200 -0.066 0.000 1.099 391 S CB 0.478 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 4.039 123.743 119.950 -0.411 0.000 2.427 392 F HA 0.561 5.088 4.527 -0.001 0.000 0.346 392 F C -1.486 173.997 175.800 -0.527 0.000 1.120 392 F CA -1.461 56.292 58.000 -0.411 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 5.531 125.535 120.300 -0.492 0.000 2.328 393 Y HA 0.401 4.951 4.550 -0.001 0.000 0.333 393 Y C -0.072 175.453 175.900 -0.625 0.000 0.958 393 Y CA -0.859 56.960 58.100 -0.468 0.000 1.167 393 Y CB 1.409 39.676 38.460 -0.321 0.000 1.151 393 Y HN 0.715 nan 8.280 nan 0.000 0.470 394 C N 5.787 124.815 119.300 -0.452 0.000 2.307 394 C HA 0.401 4.861 4.460 -0.001 0.000 0.340 394 C C 0.994 176.051 174.990 0.112 0.000 1.275 394 C CA -0.576 58.222 59.018 -0.367 0.000 1.811 394 C CB -0.808 26.661 27.740 -0.451 0.000 2.372 394 C HN 0.981 nan 8.230 nan 0.000 0.531 395 L N 4.413 125.762 121.223 0.209 0.000 2.554 395 L HA 0.149 4.489 4.340 -0.001 0.000 0.226 395 L C 2.261 179.186 176.870 0.092 0.000 1.137 395 L CA 1.257 56.083 54.840 -0.023 0.000 0.863 395 L CB -0.439 41.163 42.059 -0.761 0.000 0.985 395 L HN 0.690 nan 8.230 nan 0.000 0.451 396 E N -1.551 118.851 120.200 0.335 0.000 2.435 396 E HA -0.142 4.208 4.350 -0.001 0.000 0.195 396 E C 1.158 177.871 176.600 0.189 0.000 1.029 396 E CA 0.499 57.095 56.400 0.328 0.000 0.865 396 E CB -0.094 29.812 29.700 0.342 0.000 0.833 396 E HN 0.544 nan 8.360 nan 0.000 0.510 397 Y N -0.133 120.160 120.300 -0.011 0.000 2.495 397 Y HA 0.119 4.669 4.550 -0.001 0.000 0.293 397 Y C -0.394 175.274 175.900 -0.385 0.000 1.186 397 Y CA -0.319 57.678 58.100 -0.172 0.000 1.266 397 Y CB -0.007 38.318 38.460 -0.225 0.000 1.101 397 Y HN -0.229 nan 8.280 nan 0.000 0.517 398 F N 0.997 120.698 119.950 -0.415 0.000 2.495 398 F HA 0.433 4.959 4.527 -0.001 0.000 0.327 398 F C -2.170 173.286 175.800 -0.572 0.000 1.103 398 F CA -3.139 54.470 58.000 -0.651 0.000 0.949 398 F CB 0.900 39.166 39.000 -1.223 0.000 1.142 398 F HN -0.058 nan 8.300 nan 0.000 0.457 399 P HA 0.161 nan 4.420 nan 0.000 0.266 399 P C -1.053 176.179 177.300 -0.113 0.000 1.215 399 P CA -0.052 62.955 63.100 -0.156 0.000 0.763 399 P CB 0.568 32.200 31.700 -0.113 0.000 0.806 400 S N 1.696 117.392 115.700 -0.007 0.000 2.548 400 S HA 0.396 4.865 4.470 -0.001 0.000 0.286 400 S C -0.828 173.875 174.600 0.172 0.000 1.098 400 S CA -1.037 57.249 58.200 0.142 0.000 0.930 400 S CB 1.618 64.976 63.200 0.265 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 0.390 4.730 4.340 -0.001 0.000 0.258 401 Q C -0.955 175.152 176.000 0.177 0.000 0.957 401 Q CA -0.166 55.763 55.803 0.211 0.000 0.919 401 Q CB 0.505 29.432 28.738 0.315 0.000 1.185 401 Q HN 0.719 nan 8.270 nan 0.000 0.408 402 M N 4.486 124.170 119.600 0.138 0.000 2.209 402 M HA 0.330 4.809 4.480 -0.001 0.000 0.355 402 M C -1.219 175.148 176.300 0.111 0.000 1.171 402 M CA -0.714 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 0.451 nan 8.290 nan 0.000 0.459 403 L N 2.848 124.135 121.223 0.107 0.000 2.362 403 L HA 0.591 4.931 4.340 -0.001 0.000 0.275 403 L C -0.136 176.787 176.870 0.088 0.000 0.998 403 L CA -0.335 54.574 54.840 0.115 0.000 0.820 403 L CB 1.703 43.854 42.059 0.154 0.000 1.270 403 L HN 0.598 nan 8.230 nan 0.000 0.415 404 R N -0.033 120.513 120.500 0.076 0.000 2.602 404 R HA 0.656 4.995 4.340 -0.001 0.000 0.237 404 R C -0.470 175.867 176.300 0.061 0.000 1.219 404 R CA -0.543 55.590 56.100 0.055 0.000 1.121 404 R CB 0.956 31.282 30.300 0.042 0.000 1.408 404 R HN 0.621 nan 8.270 nan 0.000 0.559 405 T N 0.626 115.204 114.554 0.040 0.000 2.817 405 T HA 0.339 4.688 4.350 -0.001 0.000 0.295 405 T C 0.807 175.536 174.700 0.048 0.000 0.958 405 T CA 0.982 63.105 62.100 0.038 0.000 1.157 405 T CB 0.632 69.508 68.868 0.012 0.000 0.898 405 T HN 0.772 nan 8.240 nan 0.000 0.536 406 G N 3.712 112.553 108.800 0.067 0.000 2.218 406 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.216 406 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.216 406 G C 0.209 175.159 174.900 0.084 0.000 0.994 406 G CA -0.680 44.462 45.100 0.069 0.000 0.637 406 G HN 0.600 nan 8.290 nan 0.000 0.505 407 N N 1.728 120.486 118.700 0.097 0.000 2.445 407 N HA 0.563 5.302 4.740 -0.001 0.000 0.264 407 N C 0.110 175.717 175.510 0.162 0.000 1.227 407 N CA 0.390 53.511 53.050 0.117 0.000 0.963 407 N CB 0.888 39.446 38.487 0.118 0.000 1.188 407 N HN 0.760 nan 8.380 nan 0.000 0.491 408 N N -0.674 118.135 118.700 0.182 0.000 2.934 408 N HA 0.384 5.124 4.740 -0.001 0.000 0.253 408 N C -1.879 173.805 175.510 0.290 0.000 1.466 408 N CA -0.561 52.634 53.050 0.243 0.000 0.858 408 N CB 1.296 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 0.121 120.159 119.950 0.146 0.000 2.529 409 F HA 0.522 5.049 4.527 -0.001 0.000 0.320 409 F C -0.747 175.142 175.800 0.148 0.000 1.118 409 F CA -0.392 57.696 58.000 0.145 0.000 0.915 409 F CB 2.042 41.140 39.000 0.164 0.000 1.161 409 F HN 0.577 nan 8.300 nan 0.000 0.445 410 Q N 5.086 124.526 119.800 -0.601 0.000 2.377 410 Q HA 0.677 5.016 4.340 -0.001 0.000 0.271 410 Q C -2.048 173.716 176.000 -0.394 0.000 1.077 410 Q CA -0.643 54.953 55.803 -0.344 0.000 0.820 410 Q CB 2.133 30.752 28.738 -0.198 0.000 1.347 410 Q HN 0.691 nan 8.270 nan 0.000 0.444 411 F N 0.654 120.466 119.950 -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 57.700 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 4.597 119.804 115.700 -0.823 0.000 2.536 412 S HA 0.608 5.078 4.470 -0.001 0.000 0.287 412 S C -2.044 172.080 174.600 -0.794 0.000 1.101 412 S CA -0.625 57.197 58.200 -0.631 0.000 0.950 412 S CB 1.991 64.986 63.200 -0.341 0.000 1.056 412 S HN 0.644 nan 8.310 nan 0.000 0.481 413 Y N 0.990 120.899 120.300 -0.650 0.000 2.524 413 Y HA 0.613 5.163 4.550 -0.001 0.000 0.347 413 Y C -1.106 174.553 175.900 -0.403 0.000 1.005 413 Y CA -0.388 57.380 58.100 -0.555 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 6.534 120.374 114.554 -1.191 0.000 2.815 414 T HA 0.409 4.759 4.350 -0.001 0.000 0.289 414 T C -0.819 173.203 174.700 -1.129 0.000 1.000 414 T CA -0.403 61.191 62.100 -0.844 0.000 0.958 414 T CB 0.095 68.675 68.868 -0.480 0.000 0.944 414 T HN 0.411 nan 8.240 nan 0.000 0.442 415 F N 2.591 122.145 119.950 -0.659 0.000 2.490 415 F HA 0.229 4.755 4.527 -0.001 0.000 0.336 415 F C 1.530 177.146 175.800 -0.306 0.000 1.178 415 F CA -0.458 57.315 58.000 -0.379 0.000 1.301 415 F CB 0.574 39.425 39.000 -0.248 0.000 1.175 415 F HN 0.568 nan 8.300 nan 0.000 0.593 416 E N -0.154 120.045 120.200 -0.002 0.000 2.359 416 E HA 0.229 4.579 4.350 -0.001 0.000 0.255 416 E C -1.315 175.262 176.600 -0.039 0.000 1.191 416 E CA -0.964 55.414 56.400 -0.037 0.000 0.952 416 E CB 0.378 30.079 29.700 0.002 0.000 1.152 416 E HN 0.358 nan 8.360 nan 0.000 0.496 417 D N 0.635 121.006 120.400 -0.049 0.000 2.348 417 D HA 0.181 4.820 4.640 -0.001 0.000 0.259 417 D C -1.135 175.137 176.300 -0.046 0.000 1.296 417 D CA 0.200 54.162 54.000 -0.062 0.000 0.931 417 D CB 0.984 41.756 40.800 -0.047 0.000 1.067 417 D HN 0.219 nan 8.370 nan 0.000 0.503 418 V N 4.420 124.291 119.914 -0.072 0.000 2.577 418 V HA 0.445 4.565 4.120 -0.001 0.000 0.303 418 V C -2.454 173.633 176.094 -0.011 0.000 1.042 418 V CA -2.384 59.916 62.300 0.001 0.000 0.872 418 V CB 2.051 33.924 31.823 0.083 0.000 0.998 418 V HN 0.325 nan 8.190 nan 0.000 0.423 419 P HA 0.077 nan 4.420 nan 0.000 0.266 419 P C -0.523 176.870 177.300 0.155 0.000 1.186 419 P CA 0.332 63.480 63.100 0.080 0.000 0.767 419 P CB 0.101 31.855 31.700 0.090 0.000 0.820 420 F N 0.825 120.874 119.950 0.165 0.000 2.595 420 F HA 0.018 4.544 4.527 -0.001 0.000 0.359 420 F C 1.786 177.668 175.800 0.136 0.000 1.147 420 F CA 0.482 58.594 58.000 0.186 0.000 1.341 420 F CB -0.054 39.032 39.000 0.143 0.000 1.104 420 F HN 0.423 nan 8.300 nan 0.000 0.603 421 H N 0.885 120.027 119.070 0.119 0.000 2.679 421 H HA 0.199 4.755 4.556 -0.001 0.000 0.369 421 H C -0.369 174.962 175.328 0.006 0.000 1.178 421 H CA -0.438 55.523 56.048 -0.145 0.000 1.419 421 H CB 0.689 30.133 29.762 -0.531 0.000 1.458 421 H HN 0.470 nan 8.280 nan 0.000 0.605 422 S N 2.417 117.549 115.700 -0.947 0.000 2.416 422 S HA 0.084 4.554 4.470 -0.001 0.000 0.302 422 S C 0.124 174.418 174.600 -0.510 0.000 1.120 422 S CA -0.402 57.416 58.200 -0.637 0.000 1.067 422 S CB 0.303 62.965 63.200 -0.897 0.000 1.057 422 S HN 0.592 nan 8.310 nan 0.000 0.518 423 S N 2.959 118.671 115.700 0.019 0.000 2.602 423 S HA 0.256 4.726 4.470 -0.001 0.000 0.246 423 S C -0.183 174.496 174.600 0.132 0.000 1.009 423 S CA -0.553 57.732 58.200 0.142 0.000 1.052 423 S CB -0.510 62.861 63.200 0.285 0.000 0.778 423 S HN 0.806 nan 8.310 nan 0.000 0.455 424 Y N -1.717 118.461 120.300 -0.203 0.000 2.638 424 Y HA 0.891 5.441 4.550 -0.001 0.000 0.339 424 Y C -0.815 174.878 175.900 -0.345 0.000 1.084 424 Y CA -1.887 56.021 58.100 -0.320 0.000 1.068 424 Y CB 0.734 38.800 38.460 -0.656 0.000 1.294 424 Y HN -0.057 nan 8.280 nan 0.000 0.480 425 A N 1.083 123.750 122.820 -0.255 0.000 2.414 425 A HA 0.540 4.860 4.320 -0.001 0.000 0.306 425 A C -1.504 175.961 177.584 -0.199 0.000 1.054 425 A CA -0.889 50.965 52.037 -0.304 0.000 0.724 425 A CB 0.684 19.591 19.000 -0.155 0.000 1.267 425 A HN 0.843 nan 8.150 nan 0.000 0.418 426 H N 1.799 120.847 119.070 -0.038 0.000 2.764 426 H HA 0.124 4.680 4.556 -0.001 0.000 0.341 426 H C 1.360 176.683 175.328 -0.008 0.000 1.072 426 H CA 1.000 57.047 56.048 -0.001 0.000 1.444 426 H CB 1.350 31.106 29.762 -0.010 0.000 1.458 426 H HN 0.783 nan 8.280 nan 0.000 0.572 427 S N 2.205 117.976 115.700 0.118 0.000 2.558 427 S HA 0.039 4.509 4.470 -0.001 0.000 0.217 427 S C 0.581 175.222 174.600 0.069 0.000 0.975 427 S CA -0.089 58.157 58.200 0.076 0.000 0.912 427 S CB 0.488 63.728 63.200 0.067 0.000 0.776 427 S HN 0.595 nan 8.310 nan 0.000 0.526 428 Q N 0.385 120.231 119.800 0.078 0.000 2.486 428 Q HA 0.661 5.001 4.340 -0.001 0.000 0.274 428 Q C -1.132 174.885 176.000 0.028 0.000 1.076 428 Q CA -0.803 55.025 55.803 0.042 0.000 0.872 428 Q CB 1.904 30.658 28.738 0.026 0.000 1.383 428 Q HN 0.264 nan 8.270 nan 0.000 0.478 429 S N -0.376 115.329 115.700 0.008 0.000 2.526 429 S HA 0.326 4.795 4.470 -0.001 0.000 0.293 429 S C 0.685 175.280 174.600 -0.009 0.000 1.092 429 S CA -0.565 57.633 58.200 -0.003 0.000 0.980 429 S CB 0.878 64.080 63.200 0.003 0.000 1.048 429 S HN 0.717 nan 8.310 nan 0.000 0.483 430 L N 2.298 123.512 121.223 -0.015 0.000 2.137 430 L HA -0.167 4.173 4.340 -0.001 0.000 0.213 430 L C 1.921 178.809 176.870 0.030 0.000 1.085 430 L CA 2.070 56.919 54.840 0.015 0.000 0.760 430 L CB -0.225 41.849 42.059 0.026 0.000 0.893 430 L HN 0.819 nan 8.230 nan 0.000 0.434 431 D N -1.630 118.773 120.400 0.005 0.000 2.355 431 D HA -0.081 4.559 4.640 -0.001 0.000 0.206 431 D C 0.881 177.175 176.300 -0.011 0.000 1.010 431 D CA 0.132 54.127 54.000 -0.008 0.000 0.875 431 D CB 0.031 40.816 40.800 -0.025 0.000 0.966 431 D HN 0.152 nan 8.370 nan 0.000 0.512 432 R N 1.172 121.669 120.500 -0.004 0.000 4.017 432 R HA 0.235 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 55.827 56.100 -0.003 0.000 1.519 432 R CB 0.446 30.746 30.300 0.000 0.000 1.422 432 R HN 0.199 nan 8.270 nan 0.000 0.719 433 L N 0.484 121.713 121.223 0.009 0.000 2.609 433 L HA 0.224 4.564 4.340 -0.001 0.000 0.230 433 L C 0.347 177.227 176.870 0.017 0.000 1.064 433 L CA 0.851 55.706 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 0.418 176.713 176.300 -0.008 0.000 1.193 434 M CA -0.371 54.922 55.300 -0.011 0.000 0.959 434 M CB -0.806 31.772 32.600 -0.036 0.000 1.313 434 M HN -0.140 nan 8.290 nan 0.000 0.530 435 N N 0.765 119.457 118.700 -0.013 0.000 2.408 435 N HA 0.301 5.040 4.740 -0.001 0.000 0.257 435 N C -2.149 173.353 175.510 -0.012 0.000 1.064 435 N CA -1.703 51.343 53.050 -0.008 0.000 0.952 435 N CB 0.704 39.187 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 0.813 178.108 177.300 -0.007 0.000 1.148 436 P CA 0.642 63.738 63.100 -0.008 0.000 0.779 436 P CB 0.488 32.186 31.700 -0.003 0.000 0.780 437 L N -2.127 119.093 121.223 -0.005 0.000 2.470 437 L HA 0.141 4.481 4.340 -0.001 0.000 0.219 437 L C 1.021 177.889 176.870 -0.003 0.000 1.071 437 L CA 0.684 55.522 54.840 -0.003 0.000 0.850 437 L CB -0.283 41.775 42.059 -0.001 0.000 1.040 437 L HN -0.126 nan 8.230 nan 0.000 0.475 438 I N -0.681 119.886 120.570 -0.006 0.000 2.607 438 I HA 0.308 4.477 4.170 -0.001 0.000 0.305 438 I C -0.526 175.579 176.117 -0.019 0.000 0.995 438 I CA -0.838 60.458 61.300 -0.006 0.000 1.148 438 I CB 1.289 39.290 38.000 0.001 0.000 1.323 438 I HN -0.062 nan 8.210 nan 0.000 0.461 439 D N 2.936 123.325 120.400 -0.019 0.000 2.253 439 D HA 0.370 5.010 4.640 -0.001 0.000 0.249 439 D C 0.188 176.450 176.300 -0.064 0.000 1.049 439 D CA -0.346 53.630 54.000 -0.040 0.000 0.929 439 D CB 0.849 41.628 40.800 -0.036 0.000 1.176 439 D HN 0.351 nan 8.370 nan 0.000 0.437 440 Q N 0.131 119.860 119.800 -0.118 0.000 2.500 440 Q HA 0.165 4.505 4.340 -0.001 0.000 0.215 440 Q C 0.133 176.034 176.000 -0.165 0.000 1.062 440 Q CA -0.219 55.454 55.803 -0.217 0.000 0.996 440 Q CB 0.464 29.043 28.738 -0.266 0.000 1.239 440 Q HN 0.692 nan 8.270 nan 0.000 0.578 441 Y N -2.013 118.252 120.300 -0.058 0.000 2.531 441 Y HA 0.433 4.983 4.550 -0.001 0.000 0.249 441 Y C -0.185 175.707 175.900 -0.014 0.000 1.168 441 Y CA -0.510 57.568 58.100 -0.037 0.000 1.226 441 Y CB 0.378 38.846 38.460 0.013 0.000 1.177 441 Y HN 0.173 nan 8.280 nan 0.000 0.527 442 L N 0.979 122.157 121.223 -0.076 0.000 2.360 442 L HA 0.430 4.770 4.340 -0.001 0.000 0.271 442 L C -1.088 175.752 176.870 -0.050 0.000 1.057 442 L CA -1.044 53.826 54.840 0.049 0.000 0.803 442 L CB 1.089 43.127 42.059 -0.036 0.000 1.207 442 L HN 0.084 nan 8.230 nan 0.000 0.445 443 Y N 0.397 120.739 120.300 0.070 0.000 2.468 443 Y HA 0.468 5.018 4.550 -0.001 0.000 0.342 443 Y C -0.412 175.575 175.900 0.145 0.000 1.021 443 Y CA -0.619 57.513 58.100 0.054 0.000 1.079 443 Y CB 1.853 40.294 38.460 -0.032 0.000 1.226 443 Y HN 0.393 nan 8.280 nan 0.000 0.460 444 Y N 0.435 120.884 120.300 0.249 0.000 2.602 444 Y HA 0.728 5.278 4.550 -0.001 0.000 0.342 444 Y C -1.630 174.481 175.900 0.352 0.000 1.029 444 Y CA -1.867 56.373 58.100 0.232 0.000 1.080 444 Y CB 1.149 39.672 38.460 0.104 0.000 1.284 444 Y HN 0.546 nan 8.280 nan 0.000 0.485 445 L N 3.247 124.722 121.223 0.420 0.000 2.257 445 L HA 0.411 4.751 4.340 -0.001 0.000 0.290 445 L C -0.035 176.914 176.870 0.132 0.000 1.044 445 L CA -0.080 54.844 54.840 0.140 0.000 0.810 445 L CB 0.590 42.703 42.059 0.090 0.000 1.193 445 L HN 1.045 nan 8.230 nan 0.000 0.425 446 N N 2.574 121.277 118.700 0.005 0.000 2.210 446 N HA 0.164 4.903 4.740 -0.001 0.000 0.203 446 N C -0.384 175.123 175.510 -0.005 0.000 1.175 446 N CA -0.659 52.452 53.050 0.101 0.000 0.894 446 N CB 0.584 39.210 38.487 0.232 0.000 1.041 446 N HN 0.335 nan 8.380 nan 0.000 0.506 447 R N 1.053 121.492 120.500 -0.102 0.000 2.476 447 R HA 0.257 4.597 4.340 -0.001 0.000 0.305 447 R C 0.074 176.289 176.300 -0.141 0.000 0.965 447 R CA -0.318 55.721 56.100 -0.102 0.000 0.867 447 R CB 1.487 31.727 30.300 -0.101 0.000 1.176 447 R HN 0.236 nan 8.270 nan 0.000 0.447 448 T N -1.541 112.958 114.554 -0.091 0.000 3.042 448 T HA -0.063 4.286 4.350 -0.001 0.000 0.245 448 T C 1.302 175.961 174.700 -0.068 0.000 1.029 448 T CA 0.493 62.542 62.100 -0.086 0.000 1.120 448 T CB 0.359 69.197 68.868 -0.052 0.000 0.917 448 T HN 0.590 nan 8.240 nan 0.000 0.467 449 Q N 1.065 120.834 119.800 -0.052 0.000 2.577 449 Q HA 0.360 4.699 4.340 -0.001 0.000 0.242 449 Q C 1.511 177.488 176.000 -0.038 0.000 0.818 449 Q CA -0.014 55.765 55.803 -0.040 0.000 0.962 449 Q CB -0.492 28.229 28.738 -0.028 0.000 1.272 449 Q HN 0.320 nan 8.270 nan 0.000 0.593 450 G N 1.741 110.521 108.800 -0.034 0.000 2.151 450 G HA2 0.272 4.231 3.960 -0.001 0.000 0.269 450 G HA3 0.272 4.231 3.960 -0.001 0.000 0.269 450 G C -0.420 174.461 174.900 -0.032 0.000 1.069 450 G CA 0.856 45.940 45.100 -0.028 0.000 1.080 450 G HN 0.369 nan 8.290 nan 0.000 0.405 451 T N 0.736 115.274 114.554 -0.026 0.000 2.551 451 T HA 0.332 4.682 4.350 -0.001 0.000 0.249 451 T C 0.671 175.361 174.700 -0.017 0.000 0.851 451 T CA -0.577 61.508 62.100 -0.025 0.000 1.149 451 T CB 0.608 69.460 68.868 -0.027 0.000 1.456 451 T HN 0.184 nan 8.240 nan 0.000 0.514 452 T N 2.855 117.400 114.554 -0.015 0.000 3.826 452 T HA 0.121 4.471 4.350 -0.001 0.000 0.239 452 T C 0.621 175.315 174.700 -0.010 0.000 1.007 452 T CA 0.149 62.242 62.100 -0.011 0.000 1.171 452 T CB -0.651 68.212 68.868 -0.009 0.000 1.153 452 T HN 0.531 nan 8.240 nan 0.000 0.854 453 S N 2.614 118.308 115.700 -0.010 0.000 3.829 453 S HA 0.349 4.819 4.470 -0.001 0.000 0.250 453 S C 1.245 175.841 174.600 -0.007 0.000 1.263 453 S CA -0.160 58.035 58.200 -0.009 0.000 0.955 453 S CB -0.643 62.551 63.200 -0.010 0.000 1.611 453 S HN 0.811 nan 8.310 nan 0.000 0.483 454 G N 2.011 110.807 108.800 -0.007 0.000 2.449 454 G HA2 0.293 4.253 3.960 -0.001 0.000 0.192 454 G HA3 0.293 4.253 3.960 -0.001 0.000 0.192 454 G C -0.222 174.674 174.900 -0.006 0.000 1.776 454 G CA -0.120 44.976 45.100 -0.006 0.000 0.699 454 G HN 0.512 nan 8.290 nan 0.000 0.745 455 T N 1.579 116.129 114.554 -0.006 0.000 2.824 455 T HA 0.475 4.825 4.350 -0.001 0.000 0.280 455 T C 0.286 174.983 174.700 -0.006 0.000 0.995 455 T CA 0.557 62.654 62.100 -0.005 0.000 1.009 455 T CB 1.252 70.118 68.868 -0.004 0.000 0.955 455 T HN 0.509 nan 8.240 nan 0.000 0.452 456 T N 3.277 117.828 114.554 -0.006 0.000 3.935 456 T HA -0.173 4.176 4.350 -0.001 0.000 0.346 456 T C 0.161 174.856 174.700 -0.008 0.000 0.758 456 T CA 0.579 62.676 62.100 -0.006 0.000 1.874 456 T CB -1.236 67.629 68.868 -0.005 0.000 1.875 456 T HN 0.617 nan 8.240 nan 0.000 0.802 457 N N 1.679 120.374 118.700 -0.009 0.000 2.851 457 N HA 0.126 4.866 4.740 -0.001 0.000 0.248 457 N C 1.424 176.927 175.510 -0.012 0.000 1.221 457 N CA -0.459 52.585 53.050 -0.011 0.000 0.847 457 N CB 1.286 39.766 38.487 -0.012 0.000 1.150 457 N HN 0.534 nan 8.380 nan 0.000 0.507 458 Q N 0.274 120.066 119.800 -0.012 0.000 2.036 458 Q HA 0.042 4.382 4.340 -0.001 0.000 0.195 458 Q C 0.327 176.317 176.000 -0.017 0.000 0.971 458 Q CA 0.843 56.638 55.803 -0.013 0.000 0.826 458 Q CB -0.072 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 -1.019 173.562 174.600 -0.032 0.000 1.155 459 S CA -1.007 57.177 58.200 -0.027 0.000 0.827 459 S CB 3.081 66.266 63.200 -0.025 0.000 1.130 459 S HN 0.422 nan 8.310 nan 0.000 0.467 460 R N 0.213 120.684 120.500 -0.048 0.000 2.687 460 R HA 0.415 4.754 4.340 -0.001 0.000 0.265 460 R C -2.097 174.140 176.300 -0.105 0.000 1.048 460 R CA -0.769 55.295 56.100 -0.058 0.000 0.884 460 R CB 1.008 31.277 30.300 -0.050 0.000 1.258 460 R HN 0.781 nan 8.270 nan 0.000 0.469 461 L N 5.136 126.285 121.223 -0.123 0.000 2.259 461 L HA 0.451 4.790 4.340 -0.001 0.000 0.288 461 L C -0.676 175.945 176.870 -0.416 0.000 1.051 461 L CA -0.433 54.248 54.840 -0.265 0.000 0.824 461 L CB 0.849 42.815 42.059 -0.155 0.000 1.206 461 L HN 0.345 nan 8.230 nan 0.000 0.429 462 L N 3.663 124.556 121.223 -0.550 0.000 2.365 462 L HA 0.591 4.930 4.340 -0.001 0.000 0.273 462 L C -0.921 175.561 176.870 -0.646 0.000 1.000 462 L CA -0.459 54.116 54.840 -0.441 0.000 0.819 462 L CB 1.968 43.907 42.059 -0.199 0.000 1.284 462 L HN 0.303 nan 8.230 nan 0.000 0.418 463 F N 0.298 120.212 119.950 -0.060 0.000 2.520 463 F HA 0.518 5.044 4.527 -0.001 0.000 0.322 463 F C 0.316 176.068 175.800 -0.081 0.000 1.103 463 F CA -0.526 57.424 58.000 -0.083 0.000 0.926 463 F CB 2.231 41.206 39.000 -0.042 0.000 1.154 463 F HN 0.265 nan 8.300 nan 0.000 0.453 464 S N 1.565 117.157 115.700 -0.180 0.000 2.503 464 S HA 0.308 4.778 4.470 -0.001 0.000 0.301 464 S C -0.826 173.510 174.600 -0.440 0.000 1.087 464 S CA -0.801 57.228 58.200 -0.284 0.000 1.042 464 S CB 1.666 64.617 63.200 -0.414 0.000 1.043 464 S HN 0.658 nan 8.310 nan 0.000 0.489 465 Q N 2.384 121.965 119.800 -0.365 0.000 2.286 465 Q HA 0.529 4.869 4.340 -0.001 0.000 0.257 465 Q C -0.178 175.701 176.000 -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 28.967 28.738 -0.930 0.000 1.192 465 Q HN 0.759 nan 8.270 nan 0.000 0.410 466 A N 3.165 125.961 122.820 -0.041 0.000 2.565 466 A HA 0.459 4.778 4.320 -0.001 0.000 0.237 466 A C 0.314 177.899 177.584 0.002 0.000 1.053 466 A CA 0.765 52.874 52.037 0.119 0.000 0.755 466 A CB 0.037 19.046 19.000 0.015 0.000 0.980 466 A HN 0.863 nan 8.150 nan 0.000 0.506 467 G N 1.154 109.971 108.800 0.029 0.000 2.642 467 G HA2 0.583 4.542 3.960 -0.001 0.000 0.293 467 G HA3 0.583 4.542 3.960 -0.001 0.000 0.293 467 G C -2.374 172.519 174.900 -0.011 0.000 1.341 467 G CA -1.167 43.932 45.100 -0.001 0.000 0.916 467 G HN 0.302 nan 8.290 nan 0.000 0.474 468 P HA -0.108 nan 4.420 nan 0.000 0.221 468 P C 1.578 178.870 177.300 -0.012 0.000 1.145 468 P CA 1.118 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 -0.248 119.550 119.800 -0.002 0.000 1.994 469 Q HA -0.044 4.295 4.340 -0.001 0.000 0.198 469 Q C 1.332 177.332 176.000 -0.001 0.000 0.976 469 Q CA 1.558 57.363 55.803 0.003 0.000 0.828 469 Q CB -0.774 27.973 28.738 0.015 0.000 0.894 469 Q HN 0.295 nan 8.270 nan 0.000 0.432 470 S N 0.339 116.045 115.700 0.009 0.000 3.864 470 S HA 0.129 4.599 4.470 -0.001 0.000 0.202 470 S C 0.993 175.545 174.600 -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 0.247 nan 8.310 nan 0.000 0.458 471 M N 2.111 121.674 119.600 -0.062 0.000 2.319 471 M HA -0.062 4.418 4.480 -0.001 0.000 0.265 471 M C 1.638 177.884 176.300 -0.090 0.000 1.068 471 M CA 1.354 56.613 55.300 -0.067 0.000 1.118 471 M CB -0.041 32.534 32.600 -0.043 0.000 1.395 471 M HN 0.685 nan 8.290 nan 0.000 0.435 472 S N -1.144 114.496 115.700 -0.101 0.000 2.574 472 S HA 0.260 4.730 4.470 -0.001 0.000 0.242 472 S C 0.841 175.343 174.600 -0.162 0.000 0.982 472 S CA -0.544 57.591 58.200 -0.109 0.000 0.977 472 S CB -0.158 62.993 63.200 -0.081 0.000 0.814 472 S HN 0.545 nan 8.310 nan 0.000 0.464 473 L N -0.228 120.847 121.223 -0.247 0.000 2.840 473 L HA 0.314 4.654 4.340 -0.001 0.000 0.249 473 L C 0.635 177.221 176.870 -0.474 0.000 1.119 473 L CA -0.230 54.357 54.840 -0.422 0.000 0.930 473 L CB 0.094 41.747 42.059 -0.678 0.000 1.295 473 L HN 0.264 nan 8.230 nan 0.000 0.534 474 Q N 1.352 120.963 119.800 -0.315 0.000 2.428 474 Q HA 0.276 4.616 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 -0.092 55.580 55.803 -0.218 0.000 0.923 474 Q CB 0.834 29.484 28.738 -0.146 0.000 1.283 474 Q HN 0.274 nan 8.270 nan 0.000 0.447 475 A N 2.077 124.824 122.820 -0.122 0.000 2.531 475 A HA 0.156 4.475 4.320 -0.001 0.000 0.236 475 A C 0.036 177.546 177.584 -0.124 0.000 1.062 475 A CA 0.262 52.237 52.037 -0.103 0.000 0.760 475 A CB 0.283 19.229 19.000 -0.089 0.000 0.995 475 A HN 0.604 nan 8.150 nan 0.000 0.501 476 R N 0.320 120.746 120.500 -0.123 0.000 2.892 476 R HA 0.484 4.823 4.340 -0.001 0.000 0.265 476 R C 0.347 176.509 176.300 -0.230 0.000 1.025 476 R CA -0.604 55.410 56.100 -0.142 0.000 0.982 476 R CB 1.042 31.287 30.300 -0.092 0.000 1.185 476 R HN 0.732 nan 8.270 nan 0.000 0.484 477 N N -0.454 118.024 118.700 -0.371 0.000 2.332 477 N HA 0.174 4.914 4.740 -0.001 0.000 0.190 477 N C -0.968 173.994 175.510 -0.914 0.000 1.117 477 N CA 0.344 52.925 53.050 -0.782 0.000 0.883 477 N CB 0.474 38.271 38.487 -1.150 0.000 1.089 477 N HN 0.361 nan 8.380 nan 0.000 0.480 478 W N 0.166 121.468 121.300 0.004 0.000 2.975 478 W HA 0.590 5.250 4.660 -0.001 0.000 0.342 478 W C -0.608 175.927 176.519 0.027 0.000 1.168 478 W CA -0.817 56.540 57.345 0.019 0.000 1.141 478 W CB 0.832 30.296 29.460 0.007 0.000 1.445 478 W HN -0.355 nan 8.180 nan 0.000 0.560 479 L N 1.937 123.354 121.223 0.323 0.000 2.322 479 L HA 0.626 4.966 4.340 -0.001 0.000 0.269 479 L C -2.104 174.894 176.870 0.213 0.000 1.012 479 L CA -2.806 52.164 54.840 0.217 0.000 0.815 479 L CB 0.579 42.769 42.059 0.219 0.000 1.295 479 L HN 0.049 nan 8.230 nan 0.000 0.438 480 P HA 0.224 nan 4.420 nan 0.000 0.275 480 P C -0.070 177.377 177.300 0.245 0.000 1.266 480 P CA -0.345 62.850 63.100 0.159 0.000 0.793 480 P CB 0.442 32.179 31.700 0.061 0.000 1.074 481 G N 0.590 109.535 108.800 0.242 0.000 2.684 481 G HA2 0.301 4.261 3.960 -0.001 0.000 0.255 481 G HA3 0.301 4.261 3.960 -0.001 0.000 0.255 481 G C -2.297 172.650 174.900 0.079 0.000 1.219 481 G CA -0.931 44.274 45.100 0.175 0.000 0.901 481 G HN 0.363 nan 8.290 nan 0.000 0.548 482 P HA 0.262 nan 4.420 nan 0.000 0.274 482 P C -0.041 177.199 177.300 -0.100 0.000 1.260 482 P CA -0.114 62.864 63.100 -0.205 0.000 0.793 482 P CB 0.831 32.316 31.700 -0.358 0.000 1.048 483 C N -0.813 118.415 119.300 -0.119 0.000 3.239 483 C HA 0.694 5.153 4.460 -0.001 0.000 0.317 483 C C -1.677 173.346 174.990 0.056 0.000 1.310 483 C CA -0.732 58.288 59.018 0.003 0.000 1.371 483 C CB 0.695 28.501 27.740 0.110 0.000 1.714 483 C HN 0.617 nan 8.230 nan 0.000 0.473 484 Y N 1.930 122.200 120.300 -0.049 0.000 2.484 484 Y HA 0.484 5.033 4.550 -0.001 0.000 0.348 484 Y C 0.418 176.311 175.900 -0.011 0.000 1.103 484 Y CA -0.313 57.764 58.100 -0.038 0.000 1.317 484 Y CB 0.433 38.877 38.460 -0.028 0.000 1.096 484 Y HN 1.034 nan 8.280 nan 0.000 0.568 485 R N 3.690 124.102 120.500 -0.146 0.000 2.500 485 R HA -0.001 4.339 4.340 -0.001 0.000 0.281 485 R C -0.383 175.871 176.300 -0.077 0.000 0.953 485 R CA 0.787 56.830 56.100 -0.093 0.000 1.108 485 R CB 0.502 30.730 30.300 -0.120 0.000 0.901 485 R HN 0.614 nan 8.270 nan 0.000 0.410 486 Q N 2.157 121.938 119.800 -0.032 0.000 2.241 486 Q HA 0.134 4.474 4.340 -0.001 0.000 0.262 486 Q C -0.711 175.248 176.000 -0.068 0.000 1.014 486 Q CA -0.858 54.913 55.803 -0.055 0.000 0.885 486 Q CB 1.626 30.319 28.738 -0.076 0.000 1.311 486 Q HN 0.504 nan 8.270 nan 0.000 0.461 487 Q N 1.140 120.896 119.800 -0.074 0.000 2.340 487 Q HA 0.151 4.491 4.340 -0.001 0.000 0.249 487 Q C -0.815 175.151 176.000 -0.058 0.000 0.957 487 Q CA 0.162 55.946 55.803 -0.031 0.000 0.882 487 Q CB 0.763 29.540 28.738 0.065 0.000 1.235 487 Q HN 0.380 nan 8.270 nan 0.000 0.439 488 R N 3.006 123.480 120.500 -0.043 0.000 2.308 488 R HA 0.445 4.784 4.340 -0.001 0.000 0.305 488 R C -1.185 175.098 176.300 -0.030 0.000 1.053 488 R CA -0.447 55.618 56.100 -0.058 0.000 0.957 488 R CB 0.356 30.598 30.300 -0.096 0.000 1.022 488 R HN 0.526 nan 8.270 nan 0.000 0.461 489 L N 1.775 122.887 121.223 -0.185 0.000 2.341 489 L HA 0.434 4.774 4.340 -0.001 0.000 0.267 489 L C -0.250 176.516 176.870 -0.175 0.000 1.009 489 L CA -0.183 54.486 54.840 -0.285 0.000 0.819 489 L CB 2.020 43.578 42.059 -0.834 0.000 1.323 489 L HN 0.574 nan 8.230 nan 0.000 0.425 490 S N 0.091 115.757 115.700 -0.056 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 -0.181 0.000 1.048 490 S CB 1.109 64.143 63.200 -0.277 0.000 1.053 490 S HN 0.641 nan 8.310 nan 0.000 0.501 491 K N 1.109 121.513 120.400 0.007 0.000 2.296 491 K HA 0.031 4.351 4.320 -0.001 0.000 0.200 491 K C 0.195 176.802 176.600 0.013 0.000 1.048 491 K CA 0.731 57.070 56.287 0.086 0.000 0.966 491 K CB -0.203 32.317 32.500 0.033 0.000 0.754 491 K HN 0.541 nan 8.250 nan 0.000 0.466 492 T N 1.751 116.276 114.554 -0.048 0.000 2.727 492 T HA 0.215 4.565 4.350 -0.001 0.000 0.295 492 T C 0.497 175.197 174.700 -0.000 0.000 0.915 492 T CA -0.366 61.714 62.100 -0.033 0.000 1.066 492 T CB 1.298 70.130 68.868 -0.060 0.000 0.891 492 T HN 0.119 nan 8.240 nan 0.000 0.516 493 A N 3.937 126.768 122.820 0.018 0.000 2.190 493 A HA 0.068 4.387 4.320 -0.001 0.000 0.226 493 A C 1.517 179.123 177.584 0.037 0.000 1.402 493 A CA -0.083 51.976 52.037 0.037 0.000 1.288 493 A CB -0.800 18.222 19.000 0.035 0.000 0.833 493 A HN 0.956 nan 8.150 nan 0.000 0.564 494 N N -2.556 116.162 118.700 0.030 0.000 1.952 494 N HA -0.033 4.706 4.740 -0.001 0.000 0.228 494 N C -0.516 175.016 175.510 0.036 0.000 1.398 494 N CA 0.181 53.249 53.050 0.031 0.000 0.817 494 N CB 0.111 38.609 38.487 0.019 0.000 1.101 494 N HN 0.141 nan 8.380 nan 0.000 0.498 495 D N 0.854 121.279 120.400 0.041 0.000 2.323 495 D HA 0.092 4.732 4.640 -0.001 0.000 0.209 495 D C 0.096 176.446 176.300 0.083 0.000 0.973 495 D CA 0.538 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 0.061 0.000 1.205 496 N CA -0.332 52.782 53.050 0.107 0.000 0.974 496 N CB 0.442 39.040 38.487 0.185 0.000 1.197 496 N HN -0.001 nan 8.380 nan 0.000 0.504 497 N N 0.753 119.451 118.700 -0.003 0.000 2.492 497 N HA -0.099 4.641 4.740 -0.001 0.000 0.262 497 N C -0.165 175.365 175.510 0.033 0.000 1.202 497 N CA 0.278 53.290 53.050 -0.063 0.000 0.926 497 N CB 0.140 38.470 38.487 -0.261 0.000 1.078 497 N HN 0.472 nan 8.380 nan 0.000 0.454 498 N N 1.637 120.351 118.700 0.024 0.000 3.210 498 N HA -0.023 4.716 4.740 -0.001 0.000 0.314 498 N C -0.845 174.706 175.510 0.068 0.000 1.291 498 N CA -0.276 52.806 53.050 0.054 0.000 1.202 498 N CB -0.031 38.475 38.487 0.032 0.000 1.475 498 N HN 0.475 nan 8.380 nan 0.000 0.554 499 S N 0.033 115.808 115.700 0.124 0.000 2.661 499 S HA 0.294 4.764 4.470 -0.001 0.000 0.285 499 S C -0.773 174.022 174.600 0.324 0.000 1.138 499 S CA -1.076 57.223 58.200 0.164 0.000 0.855 499 S CB 1.604 64.860 63.200 0.093 0.000 1.136 499 S HN 0.240 nan 8.310 nan 0.000 0.484 500 N N 0.743 119.598 118.700 0.259 0.000 2.699 500 N HA 0.420 5.159 4.740 -0.001 0.000 0.232 500 N C -0.601 175.064 175.510 0.258 0.000 1.027 500 N CA -1.037 52.140 53.050 0.212 0.000 0.920 500 N CB -0.286 38.267 38.487 0.110 0.000 1.148 500 N HN 0.678 nan 8.380 nan 0.000 0.509 501 F N 1.159 121.150 119.950 0.069 0.000 2.791 501 F HA 0.573 5.100 4.527 -0.001 0.000 0.308 501 F C -1.840 174.023 175.800 0.105 0.000 1.138 501 F CA -1.608 56.438 58.000 0.077 0.000 1.294 501 F CB 0.664 39.688 39.000 0.039 0.000 0.975 501 F HN 0.190 nan 8.300 nan 0.000 0.512 502 P HA -0.077 nan 4.420 nan 0.000 0.242 502 P C 0.778 178.185 177.300 0.178 0.000 1.197 502 P CA 1.108 64.162 63.100 -0.078 0.000 0.765 502 P CB -0.053 31.613 31.700 -0.056 0.000 0.936 503 W N -0.285 121.021 121.300 0.009 0.000 3.792 503 W HA 0.021 4.680 4.660 -0.001 0.000 0.217 503 W C 0.910 177.463 176.519 0.057 0.000 1.098 503 W CA 0.844 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 -0.484 114.130 114.554 0.099 0.000 3.055 504 T HA 0.223 4.573 4.350 -0.001 0.000 0.265 504 T C 1.353 176.049 174.700 -0.008 0.000 1.111 504 T CA 1.130 63.227 62.100 -0.005 0.000 1.118 504 T CB 0.043 68.986 68.868 0.126 0.000 0.909 504 T HN 0.088 nan 8.240 nan 0.000 0.501 505 A N 0.232 123.106 122.820 0.090 0.000 2.545 505 A HA 0.835 5.154 4.320 -0.001 0.000 0.263 505 A C 0.997 178.646 177.584 0.108 0.000 1.202 505 A CA -0.074 52.038 52.037 0.124 0.000 0.959 505 A CB 0.098 19.264 19.000 0.276 0.000 1.124 505 A HN 0.633 nan 8.150 nan 0.000 0.543 506 A N -0.010 122.846 122.820 0.060 0.000 2.279 506 A HA 0.671 4.990 4.320 -0.001 0.000 0.303 506 A C 0.375 177.996 177.584 0.061 0.000 1.108 506 A CA -0.245 51.855 52.037 0.106 0.000 0.830 506 A CB 0.382 19.526 19.000 0.241 0.000 1.106 506 A HN 0.239 nan 8.150 nan 0.000 0.493 507 S N 0.789 116.581 115.700 0.152 0.000 2.549 507 S HA 0.453 4.922 4.470 -0.001 0.000 0.279 507 S C 0.006 174.735 174.600 0.216 0.000 1.321 507 S CA -0.220 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 1.140 121.645 120.400 0.175 0.000 2.571 508 K HA 0.580 4.900 4.320 -0.001 0.000 0.289 508 K C -1.612 175.075 176.600 0.144 0.000 1.028 508 K CA -1.049 55.261 56.287 0.039 0.000 0.895 508 K CB 1.158 33.525 32.500 -0.222 0.000 1.534 508 K HN 0.581 nan 8.250 nan 0.000 0.421 509 Y N -1.673 118.652 120.300 0.040 0.000 2.638 509 Y HA 0.621 5.170 4.550 -0.001 0.000 0.339 509 Y C -1.095 174.879 175.900 0.123 0.000 1.084 509 Y CA -1.062 57.073 58.100 0.059 0.000 1.068 509 Y CB 1.641 40.084 38.460 -0.028 0.000 1.294 509 Y HN 0.749 nan 8.280 nan 0.000 0.480 510 H N 1.954 121.178 119.070 0.256 0.000 2.877 510 H HA 0.550 5.105 4.556 -0.001 0.000 0.347 510 H C -2.366 173.100 175.328 0.229 0.000 1.042 510 H CA -1.049 55.091 56.048 0.154 0.000 1.276 510 H CB 1.575 31.381 29.762 0.073 0.000 1.681 510 H HN 0.880 nan 8.280 nan 0.000 0.521 511 L N 4.173 125.481 121.223 0.141 0.000 2.305 511 L HA 0.184 4.523 4.340 -0.001 0.000 0.284 511 L C 0.399 177.339 176.870 0.117 0.000 1.013 511 L CA -0.646 54.234 54.840 0.066 0.000 0.819 511 L CB 1.073 43.230 42.059 0.164 0.000 1.227 511 L HN 0.866 nan 8.230 nan 0.000 0.417 512 N N 3.171 121.921 118.700 0.083 0.000 2.758 512 N HA -0.174 4.565 4.740 -0.001 0.000 0.248 512 N C 0.640 176.267 175.510 0.194 0.000 1.076 512 N CA 1.115 54.240 53.050 0.125 0.000 0.696 512 N CB -0.766 37.783 38.487 0.104 0.000 0.979 512 N HN 1.059 nan 8.380 nan 0.000 0.550 513 G N 0.002 109.015 108.800 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 0.594 45.874 45.100 0.300 0.000 0.869 513 G HN 0.750 nan 8.290 nan 0.000 0.502 514 R N 0.399 121.066 120.500 0.278 0.000 2.507 514 R HA 0.279 4.619 4.340 -0.001 0.000 0.298 514 R C -1.116 175.295 176.300 0.185 0.000 1.087 514 R CA -0.835 55.383 56.100 0.198 0.000 0.917 514 R CB 0.792 31.193 30.300 0.170 0.000 1.173 514 R HN 0.133 nan 8.270 nan 0.000 0.472 515 D N 1.972 122.476 120.400 0.173 0.000 2.417 515 D HA 0.096 4.736 4.640 -0.001 0.000 0.250 515 D C -0.607 175.725 176.300 0.054 0.000 1.166 515 D CA 0.808 54.875 54.000 0.112 0.000 0.881 515 D CB 1.542 42.433 40.800 0.152 0.000 1.164 515 D HN 0.334 nan 8.370 nan 0.000 0.467 516 S N 1.635 117.158 115.700 -0.295 0.000 2.521 516 S HA 0.301 4.770 4.470 -0.001 0.000 0.295 516 S C -0.376 173.954 174.600 -0.451 0.000 1.098 516 S CA -0.763 57.189 58.200 -0.413 0.000 0.999 516 S CB 1.811 64.572 63.200 -0.733 0.000 1.034 516 S HN 0.295 nan 8.310 nan 0.000 0.483 517 L N 4.057 125.189 121.223 -0.152 0.000 2.418 517 L HA 0.307 4.647 4.340 -0.001 0.000 0.274 517 L C -0.240 176.574 176.870 -0.094 0.000 1.135 517 L CA 0.178 54.942 54.840 -0.127 0.000 0.870 517 L CB 0.529 42.533 42.059 -0.091 0.000 1.154 517 L HN 0.505 nan 8.230 nan 0.000 0.462 518 V N 6.865 126.792 119.914 0.022 0.000 2.070 518 V HA -0.003 4.117 4.120 -0.001 0.000 0.239 518 V C 1.369 177.557 176.094 0.156 0.000 1.472 518 V CA 0.121 62.516 62.300 0.159 0.000 1.453 518 V CB -0.960 30.980 31.823 0.194 0.000 1.503 518 V HN 0.914 nan 8.190 nan 0.000 0.501 519 N N 5.275 123.988 118.700 0.021 0.000 2.030 519 N HA -0.026 4.713 4.740 -0.001 0.000 0.194 519 N C -1.898 173.768 175.510 0.259 0.000 1.074 519 N CA 1.074 54.149 53.050 0.041 0.000 0.860 519 N CB -0.434 38.026 38.487 -0.046 0.000 1.055 519 N HN 0.357 nan 8.380 nan 0.000 0.429 520 P HA 0.277 nan 4.420 nan 0.000 0.291 520 P C -0.455 176.921 177.300 0.127 0.000 1.340 520 P CA -0.347 62.841 63.100 0.148 0.000 0.799 520 P CB 1.220 32.986 31.700 0.110 0.000 0.917 521 G N 4.836 113.717 108.800 0.135 0.000 2.509 521 G HA2 0.417 4.377 3.960 -0.001 0.000 0.269 521 G HA3 0.417 4.377 3.960 -0.001 0.000 0.269 521 G C -2.419 172.518 174.900 0.061 0.000 1.416 521 G CA -1.672 43.479 45.100 0.085 0.000 1.052 521 G HN 0.243 nan 8.290 nan 0.000 0.542 522 P HA 0.214 nan 4.420 nan 0.000 0.269 522 P C -0.153 177.171 177.300 0.039 0.000 1.205 522 P CA 0.161 63.259 63.100 -0.004 0.000 0.780 522 P CB 0.320 31.983 31.700 -0.061 0.000 0.858 523 A N 3.461 126.308 122.820 0.045 0.000 2.496 523 A HA 0.307 4.627 4.320 -0.001 0.000 0.278 523 A C 0.112 177.740 177.584 0.074 0.000 1.137 523 A CA 0.508 52.598 52.037 0.088 0.000 0.805 523 A CB -1.037 18.043 19.000 0.134 0.000 1.077 523 A HN 0.427 nan 8.150 nan 0.000 0.513 524 M N 2.247 121.896 119.600 0.081 0.000 2.518 524 M HA 0.555 5.034 4.480 -0.001 0.000 0.300 524 M C 0.269 176.611 176.300 0.070 0.000 1.175 524 M CA -0.433 54.911 55.300 0.073 0.000 0.890 524 M CB 2.295 34.939 32.600 0.074 0.000 1.710 524 M HN 0.678 nan 8.290 nan 0.000 0.453 525 A N 1.104 123.953 122.820 0.047 0.000 2.445 525 A HA 0.329 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 -0.172 51.876 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 0.455 116.176 115.700 0.035 0.000 2.395 526 S HA 0.040 4.510 4.470 -0.001 0.000 0.225 526 S C 0.677 175.400 174.600 0.205 0.000 1.027 526 S CA 1.278 59.564 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 0.250 119.384 119.070 0.107 0.000 3.037 527 H HA 0.498 5.054 4.556 -0.001 0.000 0.355 527 H C -1.213 174.160 175.328 0.075 0.000 1.263 527 H CA -1.188 54.924 56.048 0.107 0.000 1.129 527 H CB 0.971 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 0.771 121.268 120.400 0.162 0.000 2.179 528 K HA 0.225 4.544 4.320 -0.001 0.000 0.238 528 K C -0.602 176.101 176.600 0.172 0.000 1.033 528 K CA -0.775 55.564 56.287 0.086 0.000 0.926 528 K CB 0.651 33.179 32.500 0.048 0.000 1.151 528 K HN 0.327 nan 8.250 nan 0.000 0.492 529 D N 1.269 121.729 120.400 0.100 0.000 2.449 529 D HA -0.017 4.623 4.640 -0.001 0.000 0.236 529 D C -0.424 175.952 176.300 0.128 0.000 1.149 529 D CA 0.936 55.003 54.000 0.112 0.000 0.878 529 D CB 0.072 40.908 40.800 0.061 0.000 1.198 529 D HN 0.567 nan 8.370 nan 0.000 0.446 530 D N 1.470 121.945 120.400 0.125 0.000 2.699 530 D HA -0.171 4.469 4.640 -0.001 0.000 0.239 530 D C 0.551 176.919 176.300 0.112 0.000 1.136 530 D CA 0.920 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 0.587 nan 8.370 nan 0.000 0.429 531 E N -0.720 119.557 120.200 0.129 0.000 3.470 531 E HA 0.091 4.441 4.350 -0.001 0.000 0.220 531 E C 0.646 177.203 176.600 -0.071 0.000 1.260 531 E CA -0.084 56.385 56.400 0.115 0.000 1.240 531 E CB 0.406 30.258 29.700 0.252 0.000 2.780 531 E HN 0.049 nan 8.360 nan 0.000 0.573 532 E N 0.757 120.713 120.200 -0.407 0.000 3.916 532 E HA -0.264 4.085 4.350 -0.001 0.000 0.331 532 E C 0.770 177.153 176.600 -0.361 0.000 0.729 532 E CA 1.788 57.718 56.400 -0.783 0.000 1.222 532 E CB -1.043 28.457 29.700 -0.333 0.000 1.633 532 E HN 0.318 nan 8.360 nan 0.000 0.437 533 K N -0.982 119.284 120.400 -0.224 0.000 2.399 533 K HA 0.176 4.496 4.320 -0.001 0.000 0.196 533 K C 0.133 176.592 176.600 -0.234 0.000 1.103 533 K CA 0.114 56.259 56.287 -0.237 0.000 0.986 533 K CB 0.263 32.555 32.500 -0.347 0.000 0.952 533 K HN 0.053 nan 8.250 nan 0.000 0.541 534 F N 3.007 122.968 119.950 0.019 0.000 2.404 534 F HA 0.314 4.840 4.527 -0.001 0.000 0.358 534 F C -0.170 175.706 175.800 0.127 0.000 1.120 534 F CA -1.338 56.685 58.000 0.039 0.000 1.144 534 F CB 0.672 39.678 39.000 0.010 0.000 1.133 534 F HN -0.000 nan 8.300 nan 0.000 0.495 535 F N 3.253 123.311 119.950 0.180 0.000 2.508 535 F HA 0.801 5.328 4.527 -0.001 0.000 0.325 535 F C -3.118 172.750 175.800 0.113 0.000 1.090 535 F CA -3.843 54.239 58.000 0.137 0.000 0.945 535 F CB 0.770 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 0.060 nan 4.420 nan 0.000 0.268 536 P C -0.271 176.988 177.300 -0.069 0.000 1.204 536 P CA -0.215 62.881 63.100 -0.008 0.000 0.768 536 P CB 0.642 32.376 31.700 0.058 0.000 0.842 537 M N 5.645 125.111 119.600 -0.223 0.000 2.861 537 M HA -0.072 4.407 4.480 -0.001 0.000 0.347 537 M C 1.081 177.092 176.300 -0.481 0.000 1.791 537 M CA 0.813 55.959 55.300 -0.257 0.000 1.332 537 M CB -1.407 31.037 32.600 -0.260 0.000 2.040 537 M HN 0.604 nan 8.290 nan 0.000 0.463 538 H N 0.845 120.033 119.070 0.197 0.000 2.884 538 H HA -0.197 4.358 4.556 -0.001 0.000 0.289 538 H C 0.508 175.914 175.328 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 0.920 109.756 108.800 0.060 0.000 3.155 539 G HA2 0.075 4.035 3.960 -0.001 0.000 0.213 539 G HA3 0.075 4.035 3.960 -0.001 0.000 0.213 539 G C 0.416 175.404 174.900 0.147 0.000 1.196 539 G CA 0.409 45.565 45.100 0.094 0.000 0.846 539 G HN 0.918 nan 8.290 nan 0.000 0.516 540 N N -1.207 117.585 118.700 0.153 0.000 3.046 540 N HA 0.243 4.982 4.740 -0.001 0.000 0.243 540 N C -1.617 173.912 175.510 0.031 0.000 1.452 540 N CA -0.871 52.245 53.050 0.110 0.000 0.882 540 N CB 0.941 39.498 38.487 0.116 0.000 1.425 540 N HN -0.189 nan 8.380 nan 0.000 0.517 541 L N 0.396 121.597 121.223 -0.037 0.000 2.371 541 L HA 0.521 4.861 4.340 -0.001 0.000 0.272 541 L C 0.016 176.646 176.870 -0.401 0.000 1.124 541 L CA -0.046 54.662 54.840 -0.220 0.000 0.816 541 L CB 0.322 42.234 42.059 -0.244 0.000 1.129 541 L HN 0.515 nan 8.230 nan 0.000 0.448 542 I N 2.788 123.059 120.570 -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 -0.385 60.659 61.300 -0.425 0.000 1.062 542 I CB 1.475 39.339 38.000 -0.227 0.000 1.238 542 I HN 0.295 nan 8.210 nan 0.000 0.426 543 F N 2.915 122.817 119.950 -0.079 0.000 2.443 543 F HA 0.618 5.144 4.527 -0.001 0.000 0.335 543 F C 0.993 176.758 175.800 -0.058 0.000 1.104 543 F CA -0.737 57.231 58.000 -0.053 0.000 1.013 543 F CB 1.851 40.822 39.000 -0.048 0.000 1.136 543 F HN 0.409 nan 8.300 nan 0.000 0.470 544 G N 2.754 111.638 108.800 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 -0.502 174.420 174.900 0.036 0.000 1.172 544 G CA -0.715 44.418 45.100 0.055 0.000 0.854 544 G HN 0.559 nan 8.290 nan 0.000 0.485 545 K N 0.699 121.097 120.400 -0.004 0.000 2.285 545 K HA 0.031 4.351 4.320 -0.001 0.000 0.255 545 K C 0.307 176.883 176.600 -0.040 0.000 1.000 545 K CA -0.075 56.188 56.287 -0.040 0.000 0.887 545 K CB 0.548 33.014 32.500 -0.057 0.000 0.997 545 K HN 0.495 nan 8.250 nan 0.000 0.510 546 E N 0.534 120.693 120.200 -0.069 0.000 2.351 546 E HA 0.100 4.449 4.350 -0.001 0.000 0.266 546 E C -0.295 176.279 176.600 -0.043 0.000 1.031 546 E CA 0.974 57.339 56.400 -0.058 0.000 0.911 546 E CB 0.117 29.761 29.700 -0.093 0.000 0.986 546 E HN 0.630 nan 8.360 nan 0.000 0.446 547 G N 3.684 112.471 108.800 -0.023 0.000 2.694 547 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.247 547 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.247 547 G C -0.409 174.479 174.900 -0.020 0.000 0.989 547 G CA 0.094 45.182 45.100 -0.019 0.000 1.252 547 G HN 0.628 nan 8.290 nan 0.000 0.483 548 T N 1.403 115.950 114.554 -0.012 0.000 3.578 548 T HA 0.459 4.809 4.350 -0.001 0.000 0.343 548 T C 0.349 175.043 174.700 -0.009 0.000 1.126 548 T CA -0.089 62.002 62.100 -0.014 0.000 1.092 548 T CB 1.179 70.037 68.868 -0.017 0.000 1.160 548 T HN 0.794 nan 8.240 nan 0.000 0.469 549 T N 2.511 117.059 114.554 -0.011 0.000 2.939 549 T HA 0.168 4.517 4.350 -0.001 0.000 0.312 549 T C 1.630 176.324 174.700 -0.010 0.000 1.064 549 T CA 0.279 62.373 62.100 -0.010 0.000 1.136 549 T CB 0.475 69.336 68.868 -0.012 0.000 1.035 549 T HN 0.768 nan 8.240 nan 0.000 0.538 550 A N 2.519 125.334 122.820 -0.008 0.000 2.206 550 A HA 0.219 4.539 4.320 -0.001 0.000 0.211 550 A C 1.426 178.999 177.584 -0.018 0.000 1.158 550 A CA 0.263 52.293 52.037 -0.011 0.000 0.761 550 A CB 0.162 19.158 19.000 -0.007 0.000 0.801 550 A HN 0.608 nan 8.150 nan 0.000 0.473 551 S N 0.142 115.831 115.700 -0.018 0.000 2.530 551 S HA 0.417 4.887 4.470 -0.001 0.000 0.322 551 S C -0.461 174.127 174.600 -0.020 0.000 1.085 551 S CA -0.703 57.484 58.200 -0.022 0.000 1.096 551 S CB -0.302 62.885 63.200 -0.022 0.000 0.988 551 S HN 0.539 nan 8.310 nan 0.000 0.466 552 N N 2.266 120.953 118.700 -0.022 0.000 2.620 552 N HA -0.202 4.537 4.740 -0.001 0.000 0.293 552 N C -0.498 175.002 175.510 -0.017 0.000 1.178 552 N CA 0.661 53.700 53.050 -0.018 0.000 0.750 552 N CB -0.418 38.059 38.487 -0.017 0.000 0.949 552 N HN 0.670 nan 8.380 nan 0.000 0.555 553 A N 1.214 124.023 122.820 -0.018 0.000 2.306 553 A HA 0.577 4.897 4.320 -0.001 0.000 0.330 553 A C 0.322 177.894 177.584 -0.020 0.000 1.146 553 A CA -0.547 51.478 52.037 -0.019 0.000 0.827 553 A CB 1.026 20.013 19.000 -0.021 0.000 1.178 553 A HN 0.497 nan 8.150 nan 0.000 0.490 554 E N 0.122 120.310 120.200 -0.020 0.000 2.408 554 E HA 0.180 4.529 4.350 -0.001 0.000 0.259 554 E C 0.884 177.467 176.600 -0.029 0.000 1.110 554 E CA -0.173 56.215 56.400 -0.020 0.000 0.929 554 E CB 0.573 30.262 29.700 -0.019 0.000 0.971 554 E HN 0.553 nan 8.360 nan 0.000 0.438 555 L N 2.439 123.646 121.223 -0.027 0.000 2.265 555 L HA -0.106 4.234 4.340 -0.001 0.000 0.215 555 L C 0.763 177.601 176.870 -0.053 0.000 1.117 555 L CA 1.799 56.613 54.840 -0.044 0.000 0.782 555 L CB -0.092 41.949 42.059 -0.030 0.000 0.914 555 L HN 0.550 nan 8.230 nan 0.000 0.441 556 D N -0.706 119.669 120.400 -0.041 0.000 2.349 556 D HA -0.038 4.602 4.640 -0.001 0.000 0.224 556 D C 0.919 177.192 176.300 -0.045 0.000 1.029 556 D CA 0.328 54.302 54.000 -0.043 0.000 0.879 556 D CB -0.008 40.771 40.800 -0.036 0.000 0.906 556 D HN 0.412 nan 8.370 nan 0.000 0.528 557 N N 0.051 118.725 118.700 -0.044 0.000 2.205 557 N HA 0.025 4.765 4.740 -0.001 0.000 0.201 557 N C 0.238 175.724 175.510 -0.041 0.000 1.128 557 N CA 0.068 53.093 53.050 -0.041 0.000 0.867 557 N CB 1.608 40.075 38.487 -0.033 0.000 0.996 557 N HN 0.097 nan 8.380 nan 0.000 0.503 558 V N -2.120 117.763 119.914 -0.051 0.000 3.113 558 V HA 0.661 4.780 4.120 -0.001 0.000 0.316 558 V C -0.375 175.685 176.094 -0.058 0.000 1.125 558 V CA -0.980 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 2.836 122.416 119.600 -0.032 0.000 2.085 559 M HA 0.585 5.065 4.480 -0.001 0.000 0.309 559 M C -1.019 175.248 176.300 -0.056 0.000 0.947 559 M CA -0.135 55.153 55.300 -0.021 0.000 0.918 559 M CB 1.677 34.303 32.600 0.043 0.000 1.504 559 M HN 0.553 nan 8.290 nan 0.000 0.420 560 I N 2.352 122.849 120.570 -0.121 0.000 2.428 560 I HA 0.370 4.540 4.170 -0.001 0.000 0.296 560 I C 0.586 176.641 176.117 -0.104 0.000 0.985 560 I CA -0.682 60.511 61.300 -0.179 0.000 1.260 560 I CB 1.801 39.602 38.000 -0.333 0.000 1.389 560 I HN 0.605 nan 8.210 nan 0.000 0.484 561 T N 0.295 114.783 114.554 -0.110 0.000 2.767 561 T HA 0.308 4.657 4.350 -0.001 0.000 0.288 561 T C -0.554 174.181 174.700 0.059 0.000 0.963 561 T CA -0.847 61.202 62.100 -0.085 0.000 1.019 561 T CB 1.464 70.163 68.868 -0.281 0.000 0.923 561 T HN 0.372 nan 8.240 nan 0.000 0.468 562 D N 2.171 122.650 120.400 0.132 0.000 2.274 562 D HA 0.204 4.844 4.640 -0.001 0.000 0.239 562 D C -0.087 176.337 176.300 0.207 0.000 1.104 562 D CA -0.421 53.698 54.000 0.198 0.000 0.840 562 D CB 0.931 41.869 40.800 0.230 0.000 1.100 562 D HN 0.454 nan 8.370 nan 0.000 0.477 563 E N 3.265 123.569 120.200 0.172 0.000 2.360 563 E HA 0.062 4.411 4.350 -0.001 0.000 0.253 563 E C 0.072 176.690 176.600 0.031 0.000 1.189 563 E CA -0.045 56.434 56.400 0.132 0.000 1.252 563 E CB 0.329 30.113 29.700 0.140 0.000 1.408 563 E HN 0.651 nan 8.360 nan 0.000 0.464 564 E N -0.355 119.847 120.200 0.003 0.000 2.501 564 E HA 0.098 4.448 4.350 -0.001 0.000 0.200 564 E C 0.302 176.869 176.600 -0.054 0.000 1.016 564 E CA 0.035 56.377 56.400 -0.097 0.000 0.921 564 E CB 0.297 29.904 29.700 -0.156 0.000 1.034 564 E HN -0.001 nan 8.360 nan 0.000 0.468 565 E N 1.086 121.267 120.200 -0.032 0.000 2.340 565 E HA 0.081 4.431 4.350 -0.001 0.000 0.194 565 E C 1.706 178.280 176.600 -0.044 0.000 0.996 565 E CA 0.416 56.785 56.400 -0.052 0.000 0.869 565 E CB 0.110 29.761 29.700 -0.082 0.000 0.835 565 E HN 0.533 nan 8.360 nan 0.000 0.493 566 I N -1.891 118.664 120.570 -0.024 0.000 3.855 566 I HA 0.248 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 61.179 61.300 0.006 0.000 1.142 566 I CB 0.113 38.126 38.000 0.022 0.000 1.041 566 I HN -0.127 nan 8.210 nan 0.000 0.403 567 R N 1.493 121.989 120.500 -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 -3.820 110.748 114.554 0.024 0.000 3.057 568 T HA 0.017 4.367 4.350 -0.001 0.000 0.254 568 T C 1.681 176.386 174.700 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 0.323 175.078 174.700 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 -3.104 172.439 175.510 0.054 0.000 1.103 570 N CA -1.899 51.206 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 -0.384 62.741 63.100 0.041 0.000 0.788 571 P CB 0.559 32.334 31.700 0.125 0.000 0.949 572 V N 1.387 121.312 119.914 0.018 0.000 2.614 572 V HA 0.184 4.303 4.120 -0.001 0.000 0.291 572 V C 1.637 177.751 176.094 0.034 0.000 1.049 572 V CA 0.438 62.750 62.300 0.019 0.000 1.038 572 V CB 0.234 32.059 31.823 0.004 0.000 0.980 572 V HN 0.710 nan 8.190 nan 0.000 0.481 573 A N 3.798 126.644 122.820 0.043 0.000 1.902 573 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 573 A C 2.221 179.815 177.584 0.016 0.000 1.181 573 A CA 2.325 54.388 52.037 0.044 0.000 0.623 573 A CB -0.710 18.325 19.000 0.058 0.000 0.818 573 A HN 1.007 nan 8.150 nan 0.000 0.443 574 T N -2.563 111.994 114.554 0.004 0.000 3.014 574 T HA 0.068 4.417 4.350 -0.001 0.000 0.263 574 T C 0.764 175.438 174.700 -0.044 0.000 1.078 574 T CA 0.428 62.510 62.100 -0.029 0.000 1.135 574 T CB -0.161 68.683 68.868 -0.040 0.000 0.895 574 T HN 0.380 nan 8.240 nan 0.000 0.480 575 E N 2.393 122.574 120.200 -0.031 0.000 2.376 575 E HA 0.210 4.560 4.350 -0.001 0.000 0.254 575 E C 0.558 177.147 176.600 -0.019 0.000 1.213 575 E CA -0.320 56.057 56.400 -0.038 0.000 0.945 575 E CB 0.476 30.155 29.700 -0.036 0.000 1.057 575 E HN 0.758 nan 8.360 nan 0.000 0.479 576 Q N -0.331 119.457 119.800 -0.020 0.000 2.700 576 Q HA -0.013 4.326 4.340 -0.001 0.000 0.191 576 Q C 0.656 176.692 176.000 0.059 0.000 1.134 576 Q CA 0.042 55.851 55.803 0.010 0.000 1.193 576 Q CB 0.164 28.899 28.738 -0.004 0.000 1.250 576 Q HN 0.622 nan 8.270 nan 0.000 0.670 577 Y N -1.287 118.988 120.300 -0.041 0.000 2.351 577 Y HA 0.411 4.961 4.550 -0.001 0.000 0.291 577 Y C 0.636 176.521 175.900 -0.024 0.000 1.153 577 Y CA 1.155 59.236 58.100 -0.030 0.000 1.193 577 Y CB 0.830 39.270 38.460 -0.032 0.000 1.187 577 Y HN 0.802 nan 8.280 nan 0.000 0.524 578 G N -1.196 107.633 108.800 0.048 0.000 2.588 578 G HA2 0.400 4.359 3.960 -0.001 0.000 0.281 578 G HA3 0.400 4.359 3.960 -0.001 0.000 0.281 578 G C -1.456 173.465 174.900 0.035 0.000 1.223 578 G CA -0.365 44.710 45.100 -0.041 0.000 0.871 578 G HN -0.066 nan 8.290 nan 0.000 0.492 579 T N 0.175 114.746 114.554 0.027 0.000 2.879 579 T HA 0.613 4.963 4.350 -0.001 0.000 0.290 579 T C -0.855 173.865 174.700 0.034 0.000 0.993 579 T CA -0.229 61.885 62.100 0.022 0.000 0.975 579 T CB 1.659 70.527 68.868 -0.001 0.000 0.981 579 T HN 0.616 nan 8.240 nan 0.000 0.439 580 V N 2.165 122.098 119.914 0.031 0.000 2.680 580 V HA 0.851 4.971 4.120 -0.001 0.000 0.309 580 V C 0.348 176.451 176.094 0.016 0.000 1.052 580 V CA -1.203 61.114 62.300 0.028 0.000 0.908 580 V CB 1.729 33.569 31.823 0.028 0.000 1.001 580 V HN 1.063 nan 8.190 nan 0.000 0.431 581 A N 3.161 125.990 122.820 0.015 0.000 2.322 581 A HA 0.676 4.996 4.320 -0.001 0.000 0.269 581 A C 0.424 178.013 177.584 0.008 0.000 1.094 581 A CA -0.380 51.664 52.037 0.011 0.000 0.807 581 A CB 0.179 19.187 19.000 0.013 0.000 1.047 581 A HN 1.061 nan 8.150 nan 0.000 0.487 582 N N 1.135 119.839 118.700 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 -0.418 52.634 53.050 0.003 0.000 0.859 582 N CB 0.111 38.598 38.487 0.001 0.000 1.403 582 N HN 0.740 nan 8.380 nan 0.000 0.501 583 N N -0.208 118.495 118.700 0.004 0.000 3.355 583 N HA 0.202 4.941 4.740 -0.001 0.000 0.238 583 N C -1.730 173.783 175.510 0.006 0.000 1.466 583 N CA -0.583 52.469 53.050 0.004 0.000 0.882 583 N CB 0.719 39.208 38.487 0.002 0.000 1.406 583 N HN 0.047 nan 8.380 nan 0.000 0.500 584 L N 1.405 122.632 121.223 0.005 0.000 2.417 584 L HA 0.273 4.613 4.340 -0.001 0.000 0.258 584 L C 0.119 176.992 176.870 0.006 0.000 1.088 584 L CA -0.851 53.993 54.840 0.007 0.000 0.975 584 L CB 0.510 42.573 42.059 0.007 0.000 1.341 584 L HN 0.602 nan 8.230 nan 0.000 0.431 585 Q N 2.011 121.815 119.800 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 -0.004 55.801 55.803 0.004 0.000 0.918 585 Q CB 1.139 29.880 28.738 0.004 0.000 1.242 585 Q HN 0.558 nan 8.270 nan 0.000 0.405 586 S N 0.466 116.167 115.700 0.002 0.000 2.757 586 S HA 0.429 4.898 4.470 -0.001 0.000 0.285 586 S C 0.447 175.047 174.600 -0.000 0.000 1.196 586 S CA -0.308 57.893 58.200 0.002 0.000 0.856 586 S CB 0.323 63.524 63.200 0.003 0.000 1.212 586 S HN 0.859 nan 8.310 nan 0.000 0.516 587 S N 1.224 116.923 115.700 -0.001 0.000 2.399 587 S HA -0.091 4.378 4.470 -0.001 0.000 0.231 587 S C 1.253 175.852 174.600 -0.002 0.000 1.022 587 S CA 1.106 59.305 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 1.537 120.236 118.700 -0.001 0.000 2.300 588 N HA 0.043 4.783 4.740 -0.001 0.000 0.179 588 N C -0.053 175.456 175.510 -0.002 0.000 1.016 588 N CA 0.926 53.975 53.050 -0.001 0.000 0.876 588 N CB -0.136 38.351 38.487 -0.001 0.000 0.979 588 N HN 0.424 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 4.966 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 71.284 68.868 -0.000 0.000 0.950 589 T HN 0.104 nan 8.240 nan 0.000 0.441 590 A N 4.942 127.760 122.820 -0.003 0.000 2.328 590 A HA 0.624 4.944 4.320 -0.001 0.000 0.284 590 A C -2.157 175.426 177.584 -0.002 0.000 1.160 590 A CA -1.663 50.373 52.037 -0.003 0.000 0.818 590 A CB -0.260 18.737 19.000 -0.004 0.000 1.087 590 A HN 0.578 nan 8.150 nan 0.000 0.504 591 P HA 0.077 nan 4.420 nan 0.000 0.261 591 P C -0.319 176.981 177.300 -0.001 0.000 1.183 591 P CA 0.555 63.655 63.100 -0.000 0.000 0.761 591 P CB 0.274 31.974 31.700 0.001 0.000 0.785 592 T N 2.563 117.116 114.554 -0.001 0.000 2.867 592 T HA 0.408 4.758 4.350 -0.001 0.000 0.282 592 T C 0.177 174.876 174.700 -0.001 0.000 1.000 592 T CA -0.223 61.876 62.100 -0.002 0.000 1.042 592 T CB 0.958 69.824 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 0.527 4.877 4.350 -0.001 0.000 0.282 593 T C -0.469 174.229 174.700 -0.005 0.000 0.993 593 T CA -0.761 61.338 62.100 -0.003 0.000 0.967 593 T CB 1.115 69.980 68.868 -0.005 0.000 0.960 593 T HN 0.281 nan 8.240 nan 0.000 0.441 594 R N 2.290 122.789 120.500 -0.002 0.000 2.480 594 R HA 0.389 4.729 4.340 -0.001 0.000 0.306 594 R C -0.838 175.462 176.300 0.001 0.000 0.958 594 R CA -0.473 55.624 56.100 -0.004 0.000 0.861 594 R CB 1.458 31.755 30.300 -0.004 0.000 1.171 594 R HN 0.601 nan 8.270 nan 0.000 0.445 595 T N 3.379 117.930 114.554 -0.005 0.000 2.779 595 T HA 0.067 4.416 4.350 -0.001 0.000 0.296 595 T C -0.172 174.531 174.700 0.006 0.000 0.938 595 T CA -0.033 62.067 62.100 0.000 0.000 1.119 595 T CB 0.649 69.509 68.868 -0.012 0.000 0.891 595 T HN 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.844 125.780 119.914 0.036 0.000 2.408 596 V HA 0.272 4.392 4.120 -0.001 0.000 0.267 596 V C 0.603 176.717 176.094 0.033 0.000 1.047 596 V CA -0.344 61.977 62.300 0.034 0.000 0.937 596 V CB 0.460 32.328 31.823 0.075 0.000 0.999 596 V HN 0.833 nan 8.190 nan 0.000 0.472 597 N N 4.464 123.144 118.700 -0.034 0.000 2.254 597 N HA 0.149 4.889 4.740 -0.001 0.000 0.190 597 N C -0.418 175.014 175.510 -0.130 0.000 1.107 597 N CA 0.156 53.165 53.050 -0.067 0.000 0.869 597 N CB 0.614 39.040 38.487 -0.102 0.000 0.983 597 N HN 0.787 nan 8.380 nan 0.000 0.487 598 D N 0.648 120.961 120.400 -0.145 0.000 2.855 598 D HA 0.188 4.828 4.640 -0.001 0.000 0.241 598 D C -1.538 174.633 176.300 -0.216 0.000 1.277 598 D CA -0.351 53.543 54.000 -0.177 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 2.584 122.205 119.800 -0.298 0.000 2.309 599 Q HA 0.657 4.997 4.340 -0.001 0.000 0.270 599 Q C 0.095 175.916 176.000 -0.298 0.000 1.023 599 Q CA -0.710 54.834 55.803 -0.432 0.000 0.758 599 Q CB 1.675 29.801 28.738 -1.020 0.000 1.247 599 Q HN 0.529 nan 8.270 nan 0.000 0.455 600 G N 1.995 110.659 108.800 -0.227 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 -0.675 174.079 174.900 -0.243 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 -0.607 176.947 177.584 -0.050 0.000 1.164 601 A CA -0.405 51.518 52.037 -0.190 0.000 0.822 601 A CB 0.789 19.595 19.000 -0.323 0.000 1.130 601 A HN 0.512 nan 8.150 nan 0.000 0.496 602 L N 2.093 123.344 121.223 0.046 0.000 2.422 602 L HA 0.413 4.753 4.340 -0.001 0.000 0.264 602 L C -2.534 174.433 176.870 0.163 0.000 0.984 602 L CA -2.017 52.877 54.840 0.089 0.000 0.819 602 L CB 2.673 44.781 42.059 0.082 0.000 1.330 602 L HN 0.438 nan 8.230 nan 0.000 0.410 603 P HA 0.168 nan 4.420 nan 0.000 0.262 603 P C 0.680 178.103 177.300 0.204 0.000 1.199 603 P CA 0.680 63.885 63.100 0.175 0.000 0.763 603 P CB 0.722 32.500 31.700 0.130 0.000 0.790 604 G N 2.478 111.444 108.800 0.277 0.000 2.253 604 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.209 604 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.209 604 G C 0.223 175.362 174.900 0.398 0.000 0.997 604 G CA -0.529 44.804 45.100 0.388 0.000 0.640 604 G HN 0.437 nan 8.290 nan 0.000 0.496 605 M N 1.503 121.299 119.600 0.327 0.000 2.239 605 M HA 0.478 4.957 4.480 -0.001 0.000 0.348 605 M C 0.697 177.216 176.300 0.365 0.000 1.239 605 M CA 0.215 55.727 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 1.205 121.301 119.914 0.303 0.000 2.962 606 V HA 0.949 5.069 4.120 -0.001 0.000 0.313 606 V C -1.532 174.744 176.094 0.303 0.000 1.099 606 V CA -0.653 61.711 62.300 0.106 0.000 0.971 606 V CB 1.860 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 1.507 122.767 121.300 -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 56.555 57.345 -0.047 0.000 1.183 607 W CB 1.387 30.826 29.460 -0.036 0.000 1.467 607 W HN 0.783 nan 8.180 nan 0.000 0.578 608 Q N 1.170 121.092 119.800 0.204 0.000 2.297 608 Q HA 0.456 4.796 4.340 -0.001 0.000 0.269 608 Q C -1.084 175.037 176.000 0.202 0.000 1.051 608 Q CA -0.319 55.525 55.803 0.069 0.000 0.869 608 Q CB 1.724 30.468 28.738 0.009 0.000 1.346 608 Q HN 0.379 nan 8.270 nan 0.000 0.457 609 D N 0.128 120.586 120.400 0.096 0.000 2.440 609 D HA 0.365 5.004 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 41.757 40.800 0.178 0.000 1.141 609 D HN 0.349 nan 8.370 nan 0.000 0.552 610 R N 0.564 121.154 120.500 0.151 0.000 2.679 610 R HA 0.076 4.415 4.340 -0.001 0.000 0.268 610 R C -0.132 176.260 176.300 0.152 0.000 1.044 610 R CA 0.072 56.261 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 0.450 120.903 120.400 0.090 0.000 2.371 611 D HA 0.171 4.811 4.640 -0.001 0.000 0.242 611 D C -0.640 175.496 176.300 -0.272 0.000 1.218 611 D CA -0.191 53.784 54.000 -0.043 0.000 0.945 611 D CB 0.937 41.599 40.800 -0.230 0.000 1.137 611 D HN 0.196 nan 8.370 nan 0.000 0.464 612 V N -0.413 119.229 119.914 -0.454 0.000 2.715 612 V HA 0.616 4.735 4.120 -0.001 0.000 0.310 612 V C -1.146 174.666 176.094 -0.470 0.000 1.054 612 V CA -0.728 61.340 62.300 -0.386 0.000 0.928 612 V CB 1.100 32.690 31.823 -0.388 0.000 1.007 612 V HN 0.456 nan 8.190 nan 0.000 0.437 613 Y N 2.337 122.705 120.300 0.113 0.000 2.509 613 Y HA 0.576 5.126 4.550 -0.001 0.000 0.341 613 Y C 0.815 176.474 175.900 -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 40.312 38.460 0.100 0.000 1.241 613 Y HN 0.627 nan 8.280 nan 0.000 0.468 614 L N 1.602 122.371 121.223 -0.756 0.000 2.151 614 L HA -0.253 4.086 4.340 -0.001 0.000 0.215 614 L C 1.723 178.338 176.870 -0.424 0.000 1.084 614 L CA 2.071 56.093 54.840 -1.363 0.000 0.764 614 L CB -0.393 40.936 42.059 -1.217 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 0.316 4.656 4.340 -0.001 0.000 0.225 615 Q C 0.591 176.604 176.000 0.021 0.000 0.837 615 Q CA 0.349 56.168 55.803 0.027 0.000 1.032 615 Q CB -0.326 28.347 28.738 -0.109 0.000 1.137 615 Q HN 0.377 nan 8.270 nan 0.000 0.483 616 G N 2.047 110.984 108.800 0.228 0.000 2.522 616 G HA2 0.516 4.476 3.960 -0.001 0.000 0.304 616 G HA3 0.516 4.476 3.960 -0.001 0.000 0.304 616 G C -2.776 172.347 174.900 0.371 0.000 1.210 616 G CA -1.407 43.977 45.100 0.473 0.000 0.960 616 G HN 0.075 nan 8.290 nan 0.000 0.497 617 P HA 0.226 nan 4.420 nan 0.000 0.272 617 P C 0.459 177.804 177.300 0.075 0.000 1.223 617 P CA -0.238 62.906 63.100 0.074 0.000 0.784 617 P CB 1.131 32.870 31.700 0.065 0.000 0.923 618 I N -0.504 119.948 120.570 -0.197 0.000 2.726 618 I HA 0.166 4.336 4.170 -0.001 0.000 0.243 618 I C 0.729 177.083 176.117 0.395 0.000 1.082 618 I CA 0.637 61.888 61.300 -0.082 0.000 1.447 618 I CB -0.383 37.559 38.000 -0.097 0.000 1.250 618 I HN 0.436 nan 8.210 nan 0.000 0.453 619 W N 1.057 122.511 121.300 0.256 0.000 3.207 619 W HA 0.823 5.483 4.660 -0.001 0.000 0.326 619 W C -1.181 175.469 176.519 0.220 0.000 1.190 619 W CA -1.201 56.323 57.345 0.299 0.000 1.011 619 W CB 0.816 30.475 29.460 0.332 0.000 1.511 619 W HN -0.034 nan 8.180 nan 0.000 0.606 620 A N 1.330 124.445 122.820 0.493 0.000 2.555 620 A HA 0.465 4.785 4.320 -0.001 0.000 0.297 620 A C -1.413 176.344 177.584 0.287 0.000 1.060 620 A CA -1.116 51.121 52.037 0.334 0.000 0.710 620 A CB 1.390 20.502 19.000 0.185 0.000 1.282 620 A HN 0.723 nan 8.150 nan 0.000 0.399 621 K N 2.298 122.823 120.400 0.209 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 -0.049 56.182 56.287 -0.094 0.000 0.989 621 K CB 0.145 32.403 32.500 -0.405 0.000 0.935 621 K HN 0.578 nan 8.250 nan 0.000 0.475 622 I N 7.757 128.242 120.570 -0.142 0.000 2.379 622 I HA 0.114 4.283 4.170 -0.001 0.000 0.290 622 I C -1.859 174.177 176.117 -0.134 0.000 1.063 622 I CA -2.281 58.925 61.300 -0.157 0.000 1.351 622 I CB 0.930 38.757 38.000 -0.289 0.000 1.410 622 I HN 0.520 nan 8.210 nan 0.000 0.505 623 P HA -0.110 nan 4.420 nan 0.000 0.262 623 P C -0.514 176.860 177.300 0.124 0.000 1.182 623 P CA 0.180 63.319 63.100 0.064 0.000 0.761 623 P CB 0.194 31.956 31.700 0.103 0.000 0.795 624 H N 2.469 121.560 119.070 0.036 0.000 3.216 624 H HA 0.238 4.794 4.556 -0.001 0.000 0.263 624 H C 0.272 175.654 175.328 0.090 0.000 1.601 624 H CA 0.084 56.168 56.048 0.060 0.000 1.509 624 H CB -0.506 29.260 29.762 0.007 0.000 1.759 624 H HN 0.333 nan 8.280 nan 0.000 0.533 625 T N -0.464 114.105 114.554 0.025 0.000 2.905 625 T HA 0.151 4.501 4.350 -0.001 0.000 0.283 625 T C 0.929 175.489 174.700 -0.234 0.000 1.031 625 T CA -0.937 61.129 62.100 -0.057 0.000 1.002 625 T CB 1.294 70.141 68.868 -0.035 0.000 1.200 625 T HN 0.229 nan 8.240 nan 0.000 0.560 626 D N 0.454 120.744 120.400 -0.183 0.000 2.224 626 D HA 0.193 4.833 4.640 -0.001 0.000 0.205 626 D C 0.917 177.033 176.300 -0.308 0.000 0.965 626 D CA 1.089 54.974 54.000 -0.192 0.000 0.852 626 D CB -0.218 40.523 40.800 -0.097 0.000 0.947 626 D HN 0.812 nan 8.370 nan 0.000 0.494 627 G N -0.714 107.836 108.800 -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 -1.107 173.448 174.900 -0.574 0.000 1.391 627 G CA -0.608 44.237 45.100 -0.425 0.000 0.990 627 G HN 0.021 nan 8.290 nan 0.000 0.501 628 H N 0.979 120.072 119.070 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 -0.652 55.439 56.048 0.071 0.000 1.136 628 H CB 2.363 32.139 29.762 0.023 0.000 1.869 628 H HN 0.419 nan 8.280 nan 0.000 0.556 629 F N 0.099 120.153 119.950 0.172 0.000 2.376 629 F HA 0.174 4.701 4.527 -0.001 0.000 0.234 629 F C 0.506 176.450 175.800 0.240 0.000 1.010 629 F CA 0.373 58.473 58.000 0.167 0.000 1.100 629 F CB 0.439 39.513 39.000 0.123 0.000 1.360 629 F HN 0.474 nan 8.300 nan 0.000 0.649 630 H N 2.175 121.265 119.070 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 0.104 0.000 1.298 630 H CA -1.883 54.159 56.048 -0.010 0.000 1.301 630 H CB 0.767 30.637 29.762 0.180 0.000 1.422 630 H HN 0.081 nan 8.280 nan 0.000 0.521 631 P HA -0.055 nan 4.420 nan 0.000 0.279 631 P C 0.100 177.395 177.300 -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 1.555 117.286 115.700 0.052 0.000 2.499 632 S HA 0.322 4.791 4.470 -0.001 0.000 0.275 632 S C -2.288 172.391 174.600 0.132 0.000 1.257 632 S CA -1.703 56.560 58.200 0.105 0.000 1.050 632 S CB -0.187 63.130 63.200 0.194 0.000 0.937 632 S HN -0.057 nan 8.310 nan 0.000 0.490 633 P HA 0.030 nan 4.420 nan 0.000 0.262 633 P C 0.595 177.968 177.300 0.121 0.000 1.182 633 P CA 0.130 63.299 63.100 0.116 0.000 0.761 633 P CB 0.336 32.112 31.700 0.126 0.000 0.795 634 L N 2.251 123.540 121.223 0.110 0.000 2.201 634 L HA -0.092 4.247 4.340 -0.001 0.000 0.212 634 L C 2.018 178.957 176.870 0.115 0.000 1.105 634 L CA 1.363 56.270 54.840 0.111 0.000 0.775 634 L CB -0.473 41.638 42.059 0.087 0.000 0.913 634 L HN 0.471 nan 8.230 nan 0.000 0.440 635 M N -0.521 119.144 119.600 0.109 0.000 2.659 635 M HA 0.151 4.631 4.480 -0.001 0.000 0.243 635 M C 0.814 177.205 176.300 0.153 0.000 1.111 635 M CA 0.493 55.864 55.300 0.118 0.000 1.070 635 M CB -0.191 32.465 32.600 0.092 0.000 1.525 635 M HN 0.329 nan 8.290 nan 0.000 0.517 636 G N -0.204 108.679 108.800 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 -0.274 174.684 174.900 0.097 0.000 1.256 636 G CA -0.575 44.600 45.100 0.125 0.000 0.826 636 G HN 0.777 nan 8.290 nan 0.000 0.619 637 G N -1.028 107.766 108.800 -0.010 0.000 2.428 637 G HA2 0.388 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 -0.446 174.331 174.900 -0.206 0.000 1.247 637 G CA 0.055 45.090 45.100 -0.109 0.000 1.020 637 G HN 1.722 nan 8.290 nan 0.000 0.529 638 F N 1.827 121.934 119.950 0.263 0.000 2.411 638 F HA 0.586 5.113 4.527 -0.001 0.000 0.352 638 F C 1.099 177.036 175.800 0.228 0.000 1.123 638 F CA 0.168 58.303 58.000 0.226 0.000 1.044 638 F CB 2.068 41.213 39.000 0.242 0.000 1.135 638 F HN 0.734 nan 8.300 nan 0.000 0.461 639 G N 4.883 113.850 108.800 0.279 0.000 2.320 639 G HA2 0.610 4.570 3.960 -0.001 0.000 0.300 639 G HA3 0.610 4.570 3.960 -0.001 0.000 0.300 639 G C -1.016 173.956 174.900 0.119 0.000 1.126 639 G CA -0.516 44.686 45.100 0.170 0.000 0.896 639 G HN 0.570 nan 8.290 nan 0.000 0.436 640 L N 2.929 124.204 121.223 0.087 0.000 2.362 640 L HA 0.372 4.712 4.340 -0.001 0.000 0.275 640 L C 1.072 177.839 176.870 -0.171 0.000 0.998 640 L CA -1.115 53.725 54.840 0.001 0.000 0.820 640 L CB 2.334 44.420 42.059 0.046 0.000 1.270 640 L HN 0.435 nan 8.230 nan 0.000 0.415 641 K N 0.922 121.181 120.400 -0.235 0.000 2.057 641 K HA -0.031 4.289 4.320 -0.001 0.000 0.207 641 K C 0.280 176.382 176.600 -0.831 0.000 1.049 641 K CA 1.296 57.289 56.287 -0.490 0.000 0.931 641 K CB 0.062 32.294 32.500 -0.446 0.000 0.714 641 K HN 0.540 nan 8.250 nan 0.000 0.440 642 H N 0.269 119.171 119.070 -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 -2.123 53.700 56.048 -0.374 0.000 1.502 642 H CB 1.169 30.887 29.762 -0.074 0.000 1.512 642 H HN 0.029 nan 8.280 nan 0.000 0.502 643 P HA 0.154 nan 4.420 nan 0.000 0.276 643 P C -2.599 174.440 177.300 -0.435 0.000 1.261 643 P CA -1.877 61.047 63.100 -0.294 0.000 0.800 643 P CB 0.022 31.560 31.700 -0.270 0.000 1.066 644 P HA 0.023 nan 4.420 nan 0.000 0.258 644 P C -2.099 175.030 177.300 -0.285 0.000 1.172 644 P CA -0.270 62.108 63.100 -1.203 0.000 0.762 644 P CB -1.123 29.906 31.700 -1.117 0.000 0.764 645 P HA 0.030 nan 4.420 nan 0.000 0.272 645 P C -0.485 176.735 177.300 -0.133 0.000 1.240 645 P CA -0.037 63.016 63.100 -0.080 0.000 0.791 645 P CB 0.718 32.271 31.700 -0.244 0.000 0.978 646 Q N 0.629 120.327 119.800 -0.170 0.000 2.286 646 Q HA 0.331 4.671 4.340 -0.001 0.000 0.257 646 Q C -0.453 175.238 176.000 -0.514 0.000 0.941 646 Q CA -0.284 55.325 55.803 -0.322 0.000 0.912 646 Q CB 0.217 28.712 28.738 -0.406 0.000 1.192 646 Q HN 0.329 nan 8.270 nan 0.000 0.410 647 I N 3.037 123.338 120.570 -0.448 0.000 2.337 647 I HA 0.184 4.354 4.170 -0.001 0.000 0.285 647 I C -0.508 175.376 176.117 -0.387 0.000 1.041 647 I CA -0.208 60.775 61.300 -0.529 0.000 1.199 647 I CB 0.614 38.256 38.000 -0.596 0.000 1.370 647 I HN 0.478 nan 8.210 nan 0.000 0.470 648 M N 6.584 125.758 119.600 -0.710 0.000 2.250 648 M HA 0.550 5.030 4.480 -0.001 0.000 0.344 648 M C -0.646 175.637 176.300 -0.029 0.000 1.150 648 M CA -0.246 54.772 55.300 -0.470 0.000 1.147 648 M CB 1.202 33.170 32.600 -1.053 0.000 1.498 648 M HN 0.509 nan 8.290 nan 0.000 0.461 649 I N 3.113 123.833 120.570 0.250 0.000 2.722 649 I HA 0.683 4.853 4.170 -0.001 0.000 0.292 649 I C -1.832 174.284 176.117 -0.002 0.000 1.267 649 I CA -0.293 61.086 61.300 0.132 0.000 1.036 649 I CB 1.638 39.627 38.000 -0.019 0.000 1.281 649 I HN 0.679 nan 8.210 nan 0.000 0.423 650 K N 3.964 124.216 120.400 -0.246 0.000 2.578 650 K HA 0.558 4.878 4.320 -0.001 0.000 0.269 650 K C -1.906 174.518 176.600 -0.292 0.000 0.941 650 K CA -0.667 55.371 56.287 -0.415 0.000 0.847 650 K CB 0.704 32.580 32.500 -1.039 0.000 1.397 650 K HN 0.347 nan 8.250 nan 0.000 0.422 651 N N 1.299 119.902 118.700 -0.161 0.000 2.475 651 N HA 0.156 4.895 4.740 -0.001 0.000 0.267 651 N C -0.742 174.683 175.510 -0.142 0.000 1.169 651 N CA -0.215 52.784 53.050 -0.085 0.000 0.947 651 N CB 0.918 39.406 38.487 0.001 0.000 1.061 651 N HN 0.683 nan 8.380 nan 0.000 0.466 652 T N 3.651 118.121 114.554 -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 -0.697 61.292 62.100 -0.184 0.000 1.147 652 T CB 0.296 69.102 68.868 -0.103 0.000 0.931 652 T HN 0.266 nan 8.240 nan 0.000 0.541 653 P HA 0.153 nan 4.420 nan 0.000 0.263 653 P C -0.920 176.206 177.300 -0.290 0.000 1.195 653 P CA -0.133 62.463 63.100 -0.839 0.000 0.762 653 P CB 0.345 31.436 31.700 -1.015 0.000 0.799 654 V N 7.062 126.924 119.914 -0.086 0.000 2.304 654 V HA 0.265 4.385 4.120 -0.001 0.000 0.278 654 V C -2.106 174.160 176.094 0.287 0.000 1.018 654 V CA -2.100 60.251 62.300 0.085 0.000 0.814 654 V CB 1.347 33.205 31.823 0.058 0.000 1.021 654 V HN 0.460 nan 8.190 nan 0.000 0.440 655 P HA 0.211 nan 4.420 nan 0.000 0.266 655 P C 0.002 177.361 177.300 0.098 0.000 1.195 655 P CA 0.414 63.513 63.100 -0.002 0.000 0.768 655 P CB 0.774 32.171 31.700 -0.505 0.000 0.838 656 A N 3.106 126.031 122.820 0.174 0.000 2.450 656 A HA 0.252 4.571 4.320 -0.001 0.000 0.281 656 A C 0.103 177.783 177.584 0.161 0.000 1.372 656 A CA -0.669 51.456 52.037 0.145 0.000 0.886 656 A CB -0.333 18.736 19.000 0.116 0.000 1.462 656 A HN 0.591 nan 8.150 nan 0.000 0.514 657 N N 1.063 119.824 118.700 0.101 0.000 2.315 657 N HA 0.164 4.904 4.740 -0.001 0.000 0.270 657 N C -2.435 173.136 175.510 0.102 0.000 1.329 657 N CA -0.430 52.670 53.050 0.084 0.000 0.860 657 N CB 0.073 38.586 38.487 0.043 0.000 1.095 657 N HN 0.333 nan 8.380 nan 0.000 0.487 658 P HA 0.346 nan 4.420 nan 0.000 0.287 658 P C -2.540 174.796 177.300 0.061 0.000 1.270 658 P CA -1.312 61.876 63.100 0.146 0.000 0.844 658 P CB 0.413 32.250 31.700 0.229 0.000 1.068 659 P HA 0.180 nan 4.420 nan 0.000 0.275 659 P C 0.608 177.934 177.300 0.043 0.000 1.227 659 P CA -0.057 63.048 63.100 0.007 0.000 0.781 659 P CB 0.213 31.893 31.700 -0.033 0.000 0.906 660 T N -0.670 113.906 114.554 0.036 0.000 2.977 660 T HA -0.056 4.293 4.350 -0.001 0.000 0.271 660 T C 0.954 175.692 174.700 0.063 0.000 1.105 660 T CA 1.308 63.437 62.100 0.047 0.000 1.116 660 T CB -0.194 68.694 68.868 0.033 0.000 0.878 660 T HN 0.476 nan 8.240 nan 0.000 0.509 661 T N 0.984 115.572 114.554 0.056 0.000 2.867 661 T HA 0.474 4.824 4.350 -0.001 0.000 0.282 661 T C -0.906 173.862 174.700 0.114 0.000 1.000 661 T CA -0.969 61.178 62.100 0.078 0.000 1.042 661 T CB 0.299 69.190 68.868 0.039 0.000 0.973 661 T HN 0.138 nan 8.240 nan 0.000 0.465 662 F N 4.627 124.584 119.950 0.011 0.000 2.506 662 F HA 0.489 5.016 4.527 -0.001 0.000 0.371 662 F C 0.298 176.104 175.800 0.010 0.000 1.078 662 F CA -0.320 57.691 58.000 0.018 0.000 1.195 662 F CB 0.355 39.369 39.000 0.022 0.000 1.099 662 F HN 0.400 nan 8.300 nan 0.000 0.548 663 S N 7.582 122.893 115.700 -0.649 0.000 2.498 663 S HA 0.503 4.972 4.470 -0.001 0.000 0.317 663 S C -1.684 172.410 174.600 -0.844 0.000 1.090 663 S CA -1.370 56.440 58.200 -0.651 0.000 1.089 663 S CB 1.286 64.293 63.200 -0.322 0.000 0.997 663 S HN 0.559 nan 8.310 nan 0.000 0.470 664 P HA 0.187 nan 4.420 nan 0.000 0.222 664 P C 0.293 177.493 177.300 -0.166 0.000 1.153 664 P CA 0.257 63.117 63.100 -0.400 0.000 0.798 664 P CB -0.109 31.464 31.700 -0.210 0.000 0.796 665 A N 0.872 123.586 122.820 -0.175 0.000 2.586 665 A HA -0.065 4.254 4.320 -0.001 0.000 0.231 665 A C 0.619 178.172 177.584 -0.051 0.000 1.055 665 A CA -0.025 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 0.836 121.237 120.400 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 0.258 56.589 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 3.016 122.970 119.950 0.007 0.000 2.467 667 F HA 0.216 4.743 4.527 -0.001 0.000 0.362 667 F C 0.704 176.431 175.800 -0.123 0.000 1.090 667 F CA 0.603 58.548 58.000 -0.092 0.000 1.202 667 F CB 1.181 40.118 39.000 -0.104 0.000 1.113 667 F HN 0.667 nan 8.300 nan 0.000 0.541 668 A N 3.033 125.720 122.820 -0.222 0.000 2.474 668 A HA 0.156 4.475 4.320 -0.001 0.000 0.221 668 A C 0.510 177.980 177.584 -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 18.914 19.000 -0.019 0.000 1.217 668 A HN 0.489 nan 8.150 nan 0.000 0.553 669 S N 0.722 116.181 115.700 -0.403 0.000 2.411 669 S HA 0.640 5.109 4.470 -0.001 0.000 0.304 669 S C -0.976 173.510 174.600 -0.191 0.000 1.098 669 S CA -0.251 57.821 58.200 -0.214 0.000 1.068 669 S CB -0.620 62.448 63.200 -0.220 0.000 1.032 669 S HN 0.201 nan 8.310 nan 0.000 0.511 670 F N 3.367 123.454 119.950 0.228 0.000 2.579 670 F HA 0.554 5.080 4.527 -0.001 0.000 0.324 670 F C 0.419 176.307 175.800 0.148 0.000 1.058 670 F CA -1.194 56.932 58.000 0.210 0.000 0.944 670 F CB 1.306 40.460 39.000 0.257 0.000 1.245 670 F HN 0.296 nan 8.300 nan 0.000 0.477 671 I N 1.796 122.572 120.570 0.343 0.000 2.416 671 I HA 0.117 4.286 4.170 -0.001 0.000 0.288 671 I C 0.291 176.530 176.117 0.203 0.000 1.051 671 I CA -0.390 61.036 61.300 0.209 0.000 1.375 671 I CB 0.919 39.008 38.000 0.149 0.000 1.407 671 I HN 0.593 nan 8.210 nan 0.000 0.516 672 T N 4.398 119.041 114.554 0.149 0.000 2.834 672 T HA 0.407 4.756 4.350 -0.001 0.000 0.298 672 T C -0.367 174.399 174.700 0.111 0.000 0.966 672 T CA -0.602 61.567 62.100 0.114 0.000 1.141 672 T CB 0.911 69.823 68.868 0.074 0.000 0.905 672 T HN 0.745 nan 8.240 nan 0.000 0.535 673 Q N 2.048 121.916 119.800 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 1.233 30.002 28.738 0.053 0.000 1.454 673 Q HN 0.868 nan 8.270 nan 0.000 0.387 674 Y N -1.021 119.260 120.300 -0.033 0.000 2.633 674 Y HA 0.890 5.440 4.550 -0.001 0.000 0.339 674 Y C -0.790 175.100 175.900 -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 40.394 38.460 -0.071 0.000 1.296 674 Y HN 0.872 nan 8.280 nan 0.000 0.494 675 S N 0.338 116.019 115.700 -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 -0.450 57.693 58.200 -0.096 0.000 0.931 675 S CB 1.853 65.131 63.200 0.131 0.000 1.093 675 S HN 1.114 nan 8.310 nan 0.000 0.488 676 T N -0.320 113.990 114.554 -0.407 0.000 2.932 676 T HA 0.762 5.111 4.350 -0.001 0.000 0.318 676 T C -0.327 173.672 174.700 -1.169 0.000 1.265 676 T CA 0.236 61.831 62.100 -0.843 0.000 1.036 676 T CB 1.031 69.639 68.868 -0.433 0.000 1.209 676 T HN 1.689 nan 8.240 nan 0.000 0.484 677 G N 2.121 109.770 108.800 -1.920 0.000 2.489 677 G HA2 0.551 4.511 3.960 -0.001 0.000 0.305 677 G HA3 0.551 4.511 3.960 -0.001 0.000 0.305 677 G C -1.988 172.222 174.900 -1.149 0.000 1.311 677 G CA -0.667 43.730 45.100 -1.171 0.000 0.813 677 G HN 0.747 nan 8.290 nan 0.000 0.480 678 Q N -1.271 118.188 119.800 -0.568 0.000 2.215 678 Q HA 0.733 5.072 4.340 -0.001 0.000 0.256 678 Q C -0.584 175.222 176.000 -0.322 0.000 0.972 678 Q CA -0.706 54.813 55.803 -0.474 0.000 0.889 678 Q CB 2.397 30.731 28.738 -0.673 0.000 1.281 678 Q HN 0.785 nan 8.270 nan 0.000 0.456 679 V N 0.296 120.150 119.914 -0.100 0.000 2.709 679 V HA 0.799 4.918 4.120 -0.001 0.000 0.308 679 V C -1.410 174.592 176.094 -0.152 0.000 1.062 679 V CA -0.291 61.912 62.300 -0.162 0.000 0.901 679 V CB 2.266 34.098 31.823 0.016 0.000 1.003 679 V HN 0.696 nan 8.190 nan 0.000 0.425 680 S N 4.144 119.759 115.700 -0.140 0.000 2.526 680 S HA 0.877 5.347 4.470 -0.001 0.000 0.293 680 S C -1.414 173.053 174.600 -0.222 0.000 1.092 680 S CA -0.469 57.676 58.200 -0.091 0.000 0.980 680 S CB 1.709 64.972 63.200 0.105 0.000 1.048 680 S HN 0.852 nan 8.310 nan 0.000 0.483 681 V N 4.374 124.188 119.914 -0.166 0.000 2.524 681 V HA 0.477 4.596 4.120 -0.001 0.000 0.297 681 V C -0.496 175.548 176.094 -0.083 0.000 1.035 681 V CA -0.663 61.538 62.300 -0.165 0.000 0.867 681 V CB 1.590 33.211 31.823 -0.337 0.000 1.004 681 V HN 0.897 nan 8.190 nan 0.000 0.426 682 E N 5.347 125.499 120.200 -0.080 0.000 2.145 682 E HA 0.664 5.014 4.350 -0.001 0.000 0.270 682 E C -1.457 175.090 176.600 -0.087 0.000 0.906 682 E CA -0.508 55.848 56.400 -0.074 0.000 0.761 682 E CB 1.463 31.100 29.700 -0.104 0.000 1.116 682 E HN 0.659 nan 8.360 nan 0.000 0.408 683 I N 3.392 123.900 120.570 -0.104 0.000 2.509 683 I HA 0.284 4.454 4.170 -0.001 0.000 0.293 683 I C -0.240 175.668 176.117 -0.348 0.000 1.020 683 I CA -0.818 60.319 61.300 -0.271 0.000 1.088 683 I CB 2.083 39.810 38.000 -0.454 0.000 1.267 683 I HN 0.538 nan 8.210 nan 0.000 0.430 684 E N 5.384 125.329 120.200 -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 -0.615 55.609 56.400 -0.293 0.000 0.796 684 E CB 1.201 30.799 29.700 -0.169 0.000 1.104 684 E HN 0.392 nan 8.360 nan 0.000 0.395 685 W N 2.881 124.137 121.300 -0.073 0.000 2.587 685 W HA 0.305 4.965 4.660 -0.001 0.000 0.324 685 W C -0.092 176.465 176.519 0.063 0.000 1.040 685 W CA -0.756 56.593 57.345 0.006 0.000 1.222 685 W CB 1.207 30.728 29.460 0.101 0.000 1.381 685 W HN 0.462 nan 8.180 nan 0.000 0.483 686 E N 3.349 123.730 120.200 0.301 0.000 2.227 686 E HA 0.464 4.813 4.350 -0.001 0.000 0.282 686 E C -0.988 175.959 176.600 0.578 0.000 1.015 686 E CA -0.400 56.202 56.400 0.336 0.000 0.823 686 E CB 0.773 30.611 29.700 0.231 0.000 1.081 686 E HN 0.458 nan 8.360 nan 0.000 0.396 687 L N 3.678 125.179 121.223 0.463 0.000 2.325 687 L HA 0.361 4.700 4.340 -0.001 0.000 0.278 687 L C -0.063 176.918 176.870 0.184 0.000 1.023 687 L CA -0.742 54.344 54.840 0.410 0.000 0.811 687 L CB 1.673 43.907 42.059 0.292 0.000 1.249 687 L HN 0.548 nan 8.230 nan 0.000 0.431 688 Q N 3.221 122.996 119.800 -0.042 0.000 2.368 688 Q HA 0.226 4.566 4.340 -0.001 0.000 0.256 688 Q C -0.818 175.112 176.000 -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 29.415 28.738 -0.731 0.000 1.221 688 Q HN 0.341 nan 8.270 nan 0.000 0.458 689 K N 2.326 122.633 120.400 -0.156 0.000 2.258 689 K HA 0.064 4.384 4.320 -0.001 0.000 0.264 689 K C -0.158 176.147 176.600 -0.492 0.000 1.007 689 K CA -0.087 56.070 56.287 -0.217 0.000 0.941 689 K CB 0.924 33.318 32.500 -0.176 0.000 0.966 689 K HN 0.674 nan 8.250 nan 0.000 0.480 690 E N 2.218 122.035 120.200 -0.638 0.000 2.316 690 E HA -0.033 4.317 4.350 -0.001 0.000 0.275 690 E C -0.879 175.119 176.600 -1.004 0.000 1.029 690 E CA -0.005 55.606 56.400 -1.315 0.000 0.871 690 E CB 0.446 29.572 29.700 -0.957 0.000 1.022 690 E HN 0.412 nan 8.360 nan 0.000 0.418 691 N N 2.984 120.982 118.700 -1.170 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 0.961 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 1.033 116.642 115.700 -0.152 0.000 2.503 692 S HA 0.462 4.932 4.470 -0.001 0.000 0.301 692 S C 0.174 174.803 174.600 0.048 0.000 1.087 692 S CA -0.591 57.658 58.200 0.081 0.000 1.042 692 S CB 0.701 64.028 63.200 0.211 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 0.150 4.470 4.320 -0.001 0.000 0.206 693 K C 0.267 176.950 176.600 0.137 0.000 1.025 693 K CA -0.249 56.095 56.287 0.095 0.000 1.135 693 K CB -0.063 32.492 32.500 0.092 0.000 0.856 693 K HN 0.548 nan 8.250 nan 0.000 0.502 694 R N 0.989 121.570 120.500 0.135 0.000 2.502 694 R HA -0.110 4.230 4.340 -0.001 0.000 0.292 694 R C 1.070 177.471 176.300 0.168 0.000 0.998 694 R CA 0.248 56.440 56.100 0.154 0.000 1.056 694 R CB 0.037 30.420 30.300 0.138 0.000 0.939 694 R HN 0.287 nan 8.270 nan 0.000 0.411 695 W N 5.813 127.132 121.300 0.031 0.000 2.441 695 W HA -0.076 4.583 4.660 -0.001 0.000 0.302 695 W C -0.255 176.277 176.519 0.022 0.000 1.191 695 W CA 0.948 58.306 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 0.190 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 -1.299 51.801 53.050 0.083 0.000 0.959 696 N CB -0.389 38.194 38.487 0.160 0.000 1.142 696 N HN -0.133 nan 8.380 nan 0.000 0.455 697 P HA 0.060 nan 4.420 nan 0.000 0.267 697 P C -0.244 177.077 177.300 0.035 0.000 1.200 697 P CA 0.312 63.406 63.100 -0.010 0.000 0.772 697 P CB 0.551 32.243 31.700 -0.014 0.000 0.855 698 E N 1.210 121.439 120.200 0.050 0.000 2.254 698 E HA 0.381 4.731 4.350 -0.001 0.000 0.261 698 E C 0.234 176.890 176.600 0.094 0.000 1.051 698 E CA -1.055 55.395 56.400 0.084 0.000 0.902 698 E CB 0.921 30.692 29.700 0.117 0.000 1.168 698 E HN 0.440 nan 8.360 nan 0.000 0.423 699 I N -0.954 119.684 120.570 0.113 0.000 2.529 699 I HA 0.154 4.324 4.170 -0.001 0.000 0.284 699 I C -0.347 175.929 176.117 0.264 0.000 1.082 699 I CA -0.364 61.022 61.300 0.143 0.000 1.406 699 I CB 0.535 38.591 38.000 0.094 0.000 1.405 699 I HN 0.181 nan 8.210 nan 0.000 0.548 700 Q N 4.869 124.828 119.800 0.265 0.000 2.387 700 Q HA 0.307 4.647 4.340 -0.001 0.000 0.273 700 Q C -1.343 174.844 176.000 0.310 0.000 1.089 700 Q CA -0.807 55.158 55.803 0.270 0.000 0.824 700 Q CB 2.669 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 0.826 121.080 120.300 -0.077 0.000 2.346 701 Y HA 0.302 4.852 4.550 -0.001 0.000 0.330 701 Y C -0.118 175.786 175.900 0.007 0.000 1.178 701 Y CA 0.844 58.903 58.100 -0.069 0.000 1.331 701 Y CB 0.974 39.171 38.460 -0.439 0.000 1.253 701 Y HN 0.620 nan 8.280 nan 0.000 0.529 702 T N 3.601 117.788 114.554 -0.610 0.000 2.840 702 T HA 0.444 4.793 4.350 -0.001 0.000 0.317 702 T C -1.226 173.235 174.700 -0.400 0.000 1.401 702 T CA -0.746 61.178 62.100 -0.294 0.000 1.028 702 T CB 0.842 69.657 68.868 -0.088 0.000 1.317 702 T HN 0.625 nan 8.240 nan 0.000 0.495 703 S N 1.855 117.503 115.700 -0.088 0.000 2.632 703 S HA 0.408 4.878 4.470 -0.001 0.000 0.271 703 S C 0.053 174.673 174.600 0.033 0.000 1.260 703 S CA -0.700 57.501 58.200 0.002 0.000 1.010 703 S CB 0.284 63.551 63.200 0.112 0.000 0.965 703 S HN 0.731 nan 8.310 nan 0.000 0.534 704 N N 1.716 120.432 118.700 0.027 0.000 2.416 704 N HA 0.072 4.812 4.740 -0.001 0.000 0.265 704 N C 0.608 176.129 175.510 0.018 0.000 1.195 704 N CA -0.155 52.902 53.050 0.011 0.000 0.943 704 N CB 0.184 38.637 38.487 -0.056 0.000 1.115 704 N HN 0.738 nan 8.380 nan 0.000 0.481 705 Y N 1.009 121.309 120.300 -0.000 0.000 2.574 705 Y HA 0.050 4.599 4.550 -0.001 0.000 0.294 705 Y C 0.063 175.967 175.900 0.007 0.000 1.142 705 Y CA -0.407 57.696 58.100 0.006 0.000 1.314 705 Y CB -0.236 38.226 38.460 0.003 0.000 0.991 705 Y HN 0.314 nan 8.280 nan 0.000 0.555 706 N N 2.824 121.154 118.700 -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 38.788 38.487 -0.427 0.000 1.100 706 N HN 0.367 nan 8.380 nan 0.000 0.443 707 K N 0.874 121.191 120.400 -0.139 0.000 2.437 707 K HA -0.035 4.284 4.320 -0.001 0.000 0.277 707 K C -0.223 176.337 176.600 -0.067 0.000 1.073 707 K CA 0.419 56.665 56.287 -0.069 0.000 1.105 707 K CB 0.169 32.640 32.500 -0.049 0.000 0.881 707 K HN 0.441 nan 8.250 nan 0.000 0.475 708 S N 2.747 118.419 115.700 -0.046 0.000 2.634 708 S HA 0.351 4.821 4.470 -0.001 0.000 0.296 708 S C 0.861 175.443 174.600 -0.030 0.000 1.104 708 S CA -1.045 57.130 58.200 -0.042 0.000 0.920 708 S CB 1.570 64.746 63.200 -0.039 0.000 1.111 708 S HN 0.359 nan 8.310 nan 0.000 0.493 709 V N 2.713 122.607 119.914 -0.033 0.000 2.238 709 V HA 0.022 4.142 4.120 -0.001 0.000 0.235 709 V C 0.720 176.798 176.094 -0.026 0.000 1.037 709 V CA 1.386 63.668 62.300 -0.030 0.000 0.991 709 V CB -0.831 30.971 31.823 -0.036 0.000 0.638 709 V HN 0.824 nan 8.190 nan 0.000 0.457 710 N N -0.746 117.934 118.700 -0.034 0.000 2.466 710 N HA 0.479 5.218 4.740 -0.001 0.000 0.294 710 N C -1.031 174.466 175.510 -0.023 0.000 1.129 710 N CA -0.613 52.417 53.050 -0.033 0.000 0.931 710 N CB 2.062 40.516 38.487 -0.056 0.000 1.193 710 N HN 0.079 nan 8.380 nan 0.000 0.500 711 V N 1.398 121.310 119.914 -0.003 0.000 2.583 711 V HA 0.041 4.160 4.120 -0.001 0.000 0.287 711 V C -0.068 176.043 176.094 0.028 0.000 1.051 711 V CA -0.396 61.923 62.300 0.030 0.000 1.010 711 V CB 0.822 32.683 31.823 0.062 0.000 0.988 711 V HN 0.610 nan 8.190 nan 0.000 0.478 712 D N 4.253 124.694 120.400 0.067 0.000 2.493 712 D HA 0.183 4.823 4.640 -0.001 0.000 0.240 712 D C 0.109 176.543 176.300 0.222 0.000 1.142 712 D CA 0.596 54.637 54.000 0.068 0.000 0.872 712 D CB -0.051 40.875 40.800 0.210 0.000 1.173 712 D HN 0.476 nan 8.370 nan 0.000 0.467 713 F N -0.149 119.763 119.950 -0.064 0.000 2.781 713 F HA -0.263 4.264 4.527 -0.001 0.000 0.350 713 F C 0.322 176.149 175.800 0.045 0.000 1.048 713 F CA 0.344 58.288 58.000 -0.093 0.000 1.134 713 F CB -1.762 37.300 39.000 0.103 0.000 1.440 713 F HN 0.163 nan 8.300 nan 0.000 0.799 714 T N -0.834 113.683 114.554 -0.061 0.000 2.792 714 T HA 0.686 5.036 4.350 -0.001 0.000 0.303 714 T C -0.182 174.469 174.700 -0.081 0.000 1.310 714 T CA -0.428 61.714 62.100 0.069 0.000 1.007 714 T CB 2.145 71.049 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 -0.072 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 -0.632 61.592 62.300 -0.128 0.000 1.064 715 V CB 0.647 32.369 31.823 -0.168 0.000 1.047 715 V HN 0.989 nan 8.190 nan 0.000 0.478 716 D N 1.001 121.355 120.400 -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 0.255 54.221 54.000 -0.058 0.000 1.087 716 D CB -0.006 40.753 40.800 -0.067 0.000 1.186 716 D HN 0.671 nan 8.370 nan 0.000 0.620 717 T N -2.147 112.389 114.554 -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 67.879 68.868 -0.019 0.000 0.861 717 T HN 0.605 nan 8.240 nan 0.000 0.456 718 N N 0.863 119.551 118.700 -0.019 0.000 2.380 718 N HA 0.440 5.180 4.740 -0.001 0.000 0.255 718 N C 0.689 176.191 175.510 -0.013 0.000 1.158 718 N CA -0.084 52.958 53.050 -0.013 0.000 0.878 718 N CB 0.081 38.560 38.487 -0.013 0.000 1.138 718 N HN 0.576 nan 8.380 nan 0.000 0.509 719 G N 0.020 108.809 108.800 -0.019 0.000 2.381 719 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.281 719 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.281 719 G C -0.760 174.123 174.900 -0.028 0.000 0.984 719 G CA 0.133 45.220 45.100 -0.021 0.000 1.339 719 G HN 0.355 nan 8.290 nan 0.000 0.485 720 V N 2.857 122.738 119.914 -0.054 0.000 2.532 720 V HA 0.366 4.485 4.120 -0.001 0.000 0.294 720 V C -0.040 176.004 176.094 -0.084 0.000 1.036 720 V CA -1.329 60.943 62.300 -0.047 0.000 0.876 720 V CB 1.517 33.316 31.823 -0.040 0.000 1.012 720 V HN 0.609 nan 8.190 nan 0.000 0.432 721 Y N 4.511 124.668 120.300 -0.238 0.000 2.511 721 Y HA 0.492 5.041 4.550 -0.001 0.000 0.332 721 Y C 0.686 176.487 175.900 -0.165 0.000 1.177 721 Y CA 0.309 58.233 58.100 -0.294 0.000 1.422 721 Y CB 1.058 39.278 38.460 -0.401 0.000 1.271 721 Y HN 0.734 nan 8.280 nan 0.000 0.550 722 S N 4.396 119.586 115.700 -0.849 0.000 2.572 722 S HA 0.441 4.911 4.470 -0.001 0.000 0.274 722 S C -1.600 172.499 174.600 -0.834 0.000 1.150 722 S CA -1.189 56.627 58.200 -0.640 0.000 0.944 722 S CB 1.370 64.345 63.200 -0.376 0.000 1.071 722 S HN 0.683 nan 8.310 nan 0.000 0.479 723 E N 2.997 122.812 120.200 -0.643 0.000 2.130 723 E HA 0.255 4.605 4.350 -0.001 0.000 0.284 723 E C -1.906 174.289 176.600 -0.675 0.000 1.018 723 E CA -2.088 53.870 56.400 -0.737 0.000 0.817 723 E CB 0.737 30.284 29.700 -0.254 0.000 1.078 723 E HN 0.369 nan 8.360 nan 0.000 0.396 724 P HA -0.168 nan 4.420 nan 0.000 0.214 724 P C -0.010 177.125 177.300 -0.275 0.000 1.162 724 P CA 1.321 64.120 63.100 -0.501 0.000 0.879 724 P CB 0.227 31.633 31.700 -0.490 0.000 0.786 725 R N -2.020 118.361 120.500 -0.198 0.000 2.808 725 R HA 0.589 4.929 4.340 -0.001 0.000 0.272 725 R C -3.217 173.132 176.300 0.083 0.000 0.995 725 R CA -2.368 53.735 56.100 0.005 0.000 0.917 725 R CB 0.430 30.798 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 0.276 726 P C -0.597 176.832 177.300 0.214 0.000 1.230 726 P CA -0.260 62.867 63.100 0.044 0.000 0.776 726 P CB 0.483 32.178 31.700 -0.008 0.000 0.888 727 I N 2.691 123.409 120.570 0.246 0.000 2.339 727 I HA 0.310 4.479 4.170 -0.001 0.000 0.290 727 I C 1.272 177.746 176.117 0.596 0.000 0.994 727 I CA -0.264 61.243 61.300 0.345 0.000 1.191 727 I CB 0.857 38.911 38.000 0.091 0.000 1.343 727 I HN 0.415 nan 8.210 nan 0.000 0.458 728 G N 3.627 112.812 108.800 0.641 0.000 2.468 728 G HA2 0.244 4.204 3.960 -0.001 0.000 0.264 728 G HA3 0.244 4.204 3.960 -0.001 0.000 0.264 728 G C 0.511 175.637 174.900 0.378 0.000 1.460 728 G CA 0.301 45.682 45.100 0.468 0.000 1.060 728 G HN 0.572 nan 8.290 nan 0.000 0.543 729 T N -1.614 113.093 114.554 0.255 0.000 3.073 729 T HA 0.170 4.520 4.350 -0.001 0.000 0.264 729 T C 0.798 175.637 174.700 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 0.104 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 0.216 120.543 120.300 0.044 0.000 2.559 731 Y HA 0.181 4.731 4.550 -0.001 0.000 0.279 731 Y C 0.953 176.904 175.900 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 0.840 122.228 121.223 0.275 0.000 2.439 732 L HA 0.320 4.659 4.340 -0.001 0.000 0.261 732 L C 0.444 177.389 176.870 0.125 0.000 1.153 732 L CA -0.399 54.613 54.840 0.286 0.000 0.808 732 L CB 0.917 43.299 42.059 0.538 0.000 1.126 732 L HN 0.081 nan 8.230 nan 0.000 0.460 733 T N -0.031 114.590 114.554 0.112 0.000 2.829 733 T HA 0.553 4.902 4.350 -0.001 0.000 0.280 733 T C -0.513 174.070 174.700 -0.196 0.000 0.999 733 T CA -0.898 61.183 62.100 -0.032 0.000 0.983 733 T CB 2.208 71.105 68.868 0.048 0.000 0.968 733 T HN 0.643 nan 8.240 nan 0.000 0.446 734 R N 2.077 122.379 120.500 -0.331 0.000 2.854 734 R HA 0.511 4.851 4.340 -0.001 0.000 0.271 734 R C -0.883 175.371 176.300 -0.077 0.000 0.994 734 R CA -0.699 55.159 56.100 -0.402 0.000 0.945 734 R CB 1.397 31.071 30.300 -1.043 0.000 1.194 734 R HN 0.761 nan 8.270 nan 0.000 0.476 735 N N 1.026 119.719 118.700 -0.013 0.000 2.463 735 N HA 0.285 5.024 4.740 -0.001 0.000 0.270 735 N C -0.138 175.436 175.510 0.107 0.000 1.205 735 N CA -0.393 52.696 53.050 0.066 0.000 0.974 735 N CB 0.575 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 54.794 54.840 -0.078 0.000 0.813 736 L CB 0.000 41.948 42.059 -0.186 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502