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_R DATA FIRST_RESID 217 DATA SEQUENCE GADGVGNSSG NWHCDSQWLG DRVITTSTRT WALPTYNNHL YKQISSQSGA DATA SEQUENCE SNDNHYFGYS TPWGYFDFNR FHCHFSPRDW QRLINNNWGF RPKKLSFKLF DATA SEQUENCE NIQVKEVTQN DGTTTIANNL TSTVQVFTDS EYQLPYVLGS AHQGCLPPFP DATA SEQUENCE ADVFMVPQYG YLTLNNGSQA VGRSSFYCLE YFPSQMLRTG NNFQFSYTFE DATA SEQUENCE DVPFHSSYAH SQSLDRLMNP LIDQYLYYLN RTQGTTSGTT NQSRLLFSQA DATA SEQUENCE GPQSMSLQAR NWLPGPCYRQ QRLSKTANDN NNSNFPWTAA SKYHLNGRDS DATA SEQUENCE LVNPGPAMAS HKDDEEKFFP MHGNLIFGKE GTTASNAELD NVMITDEEEI DATA SEQUENCE RTTNPVATEQ YGTVANNLQS SNTAPTTRTV NDQGALPGMV WQDRDVYLQG DATA SEQUENCE PIWAKIPHTD GHFHPSPLMG GFGLKHPPPQ IMIKNTPVPA NPPTTFSPAK DATA SEQUENCE FASFITQYST GQVSVEIEWE LQKENSKRWN PEIQYTSNYN KSVNVDFTVD DATA SEQUENCE TNGVYSEPRP IGTRYLTRNL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 217 G HA2 0.000 nan 3.960 nan 0.000 0.244 217 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 217 G C 0.000 174.926 174.900 0.044 0.000 0.946 217 G CA 0.000 45.116 45.100 0.026 0.000 0.502 218 A N 2.532 125.373 122.820 0.035 0.000 2.446 218 A HA 0.825 5.145 4.320 -0.001 0.000 0.282 218 A C -0.996 176.607 177.584 0.032 0.000 1.102 218 A CA -0.575 51.486 52.037 0.040 0.000 0.737 218 A CB 1.691 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 0.603 121.026 120.400 0.038 0.000 2.808 219 D HA 0.703 5.343 4.640 -0.001 0.000 0.249 219 D C 0.700 177.019 176.300 0.031 0.000 1.151 219 D CA 0.221 54.239 54.000 0.031 0.000 1.089 219 D CB 1.415 42.234 40.800 0.032 0.000 1.295 219 D HN 0.670 nan 8.370 nan 0.000 0.631 220 G N -0.747 108.069 108.800 0.027 0.000 2.642 220 G HA2 0.433 4.392 3.960 -0.001 0.000 0.291 220 G HA3 0.433 4.392 3.960 -0.001 0.000 0.291 220 G C 0.883 175.797 174.900 0.024 0.000 1.345 220 G CA -0.298 44.816 45.100 0.023 0.000 1.043 220 G HN 0.205 nan 8.290 nan 0.000 0.528 221 V N 0.550 120.475 119.914 0.018 0.000 2.255 221 V HA 0.033 4.153 4.120 -0.001 0.000 0.243 221 V C 2.527 178.629 176.094 0.013 0.000 1.038 221 V CA 2.119 64.428 62.300 0.015 0.000 1.008 221 V CB -0.651 31.177 31.823 0.009 0.000 0.645 221 V HN 0.760 nan 8.190 nan 0.000 0.449 222 G N 0.752 109.558 108.800 0.011 0.000 3.530 222 G HA2 0.148 4.107 3.960 -0.001 0.000 0.269 222 G HA3 0.148 4.107 3.960 -0.001 0.000 0.269 222 G C -0.029 174.879 174.900 0.014 0.000 1.314 222 G CA 0.022 45.128 45.100 0.010 0.000 1.441 222 G HN 0.472 nan 8.290 nan 0.000 0.595 223 N N -0.019 118.694 118.700 0.020 0.000 2.519 223 N HA 0.266 5.005 4.740 -0.001 0.000 0.291 223 N C -0.058 175.474 175.510 0.038 0.000 1.107 223 N CA -0.524 52.541 53.050 0.025 0.000 0.904 223 N CB 1.403 39.903 38.487 0.022 0.000 1.500 223 N HN 0.035 nan 8.380 nan 0.000 0.510 224 S N 1.541 117.267 115.700 0.043 0.000 2.549 224 S HA 0.085 4.555 4.470 -0.001 0.000 0.286 224 S C 0.835 175.480 174.600 0.075 0.000 1.314 224 S CA -0.223 58.019 58.200 0.070 0.000 1.062 224 S CB 0.667 63.912 63.200 0.075 0.000 0.865 224 S HN 0.612 nan 8.310 nan 0.000 0.498 225 S N 1.107 116.879 115.700 0.120 0.000 2.618 225 S HA 0.581 5.050 4.470 -0.001 0.000 0.242 225 S C 0.655 175.300 174.600 0.075 0.000 0.972 225 S CA -0.254 58.014 58.200 0.113 0.000 1.004 225 S CB -0.695 62.598 63.200 0.155 0.000 0.778 225 S HN 1.544 nan 8.310 nan 0.000 0.459 226 G N 0.361 109.169 108.800 0.014 0.000 2.328 226 G HA2 0.324 4.284 3.960 -0.001 0.000 0.299 226 G HA3 0.324 4.284 3.960 -0.001 0.000 0.299 226 G C -1.901 172.899 174.900 -0.166 0.000 1.435 226 G CA -1.072 43.852 45.100 -0.293 0.000 0.865 226 G HN 0.281 nan 8.290 nan 0.000 0.601 227 N N -1.027 117.486 118.700 -0.311 0.000 2.545 227 N HA 0.466 5.206 4.740 -0.001 0.000 0.289 227 N C -1.010 174.405 175.510 -0.158 0.000 1.279 227 N CA -0.849 52.094 53.050 -0.179 0.000 0.824 227 N CB 2.209 40.519 38.487 -0.295 0.000 1.395 227 N HN 0.532 nan 8.380 nan 0.000 0.526 228 W N 2.575 123.723 121.300 -0.253 0.000 2.367 228 W HA 0.190 4.849 4.660 -0.001 0.000 0.329 228 W C -1.056 175.293 176.519 -0.284 0.000 1.066 228 W CA 0.026 57.295 57.345 -0.127 0.000 1.435 228 W CB -0.085 29.346 29.460 -0.049 0.000 1.296 228 W HN 0.479 nan 8.180 nan 0.000 0.401 229 H N 5.327 124.302 119.070 -0.158 0.000 2.700 229 H HA 0.181 4.736 4.556 -0.001 0.000 0.269 229 H C -0.207 174.994 175.328 -0.212 0.000 1.222 229 H CA -0.217 55.761 56.048 -0.117 0.000 1.254 229 H CB 0.969 30.655 29.762 -0.126 0.000 1.413 229 H HN 0.166 nan 8.280 nan 0.000 0.507 230 C N 4.102 123.403 119.300 0.001 0.000 2.437 230 C HA 0.386 4.846 4.460 -0.001 0.000 0.307 230 C C -0.540 174.504 174.990 0.089 0.000 1.093 230 C CA -0.277 58.746 59.018 0.009 0.000 1.463 230 C CB -0.710 27.091 27.740 0.102 0.000 1.926 230 C HN 0.873 nan 8.230 nan 0.000 0.420 231 D N 1.918 122.345 120.400 0.046 0.000 2.665 231 D HA 0.713 5.352 4.640 -0.001 0.000 0.287 231 D C -1.288 175.013 176.300 0.002 0.000 1.266 231 D CA 0.179 54.208 54.000 0.048 0.000 0.830 231 D CB 2.295 43.135 40.800 0.066 0.000 1.356 231 D HN 0.594 nan 8.370 nan 0.000 0.437 232 S N 0.503 116.206 115.700 0.005 0.000 2.562 232 S HA 0.703 5.173 4.470 -0.001 0.000 0.274 232 S C -1.862 172.722 174.600 -0.026 0.000 1.160 232 S CA -0.811 57.348 58.200 -0.069 0.000 0.933 232 S CB 1.560 64.691 63.200 -0.115 0.000 1.100 232 S HN 0.423 nan 8.310 nan 0.000 0.468 233 Q N 1.420 121.160 119.800 -0.100 0.000 2.416 233 Q HA 0.746 5.086 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 1.414 122.732 121.300 0.031 0.000 2.512 234 W HA 0.578 5.238 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 1.011 30.486 29.460 0.025 0.000 1.307 234 W HN 0.487 nan 8.180 nan 0.000 0.567 235 L N 3.295 124.659 121.223 0.235 0.000 3.122 235 L HA 0.244 4.584 4.340 -0.001 0.000 0.274 235 L C 1.624 178.577 176.870 0.139 0.000 1.222 235 L CA 0.719 55.646 54.840 0.145 0.000 1.028 235 L CB -0.673 41.437 42.059 0.086 0.000 1.386 235 L HN 0.999 nan 8.230 nan 0.000 0.578 236 G N 1.049 109.964 108.800 0.191 0.000 2.412 236 G HA2 -0.434 3.526 3.960 -0.001 0.000 0.252 236 G HA3 -0.434 3.526 3.960 -0.001 0.000 0.252 236 G C 0.939 175.909 174.900 0.116 0.000 1.038 236 G CA 1.107 46.285 45.100 0.129 0.000 0.628 236 G HN 0.396 nan 8.290 nan 0.000 0.531 237 D N 0.025 120.496 120.400 0.118 0.000 2.449 237 D HA 0.225 4.865 4.640 -0.001 0.000 0.210 237 D C 1.098 177.489 176.300 0.150 0.000 1.094 237 D CA 0.936 55.002 54.000 0.110 0.000 0.846 237 D CB 0.248 41.094 40.800 0.077 0.000 1.003 237 D HN 0.849 nan 8.370 nan 0.000 0.504 238 R N -1.606 118.989 120.500 0.159 0.000 2.741 238 R HA 0.574 4.913 4.340 -0.001 0.000 0.276 238 R C -2.040 174.321 176.300 0.101 0.000 1.028 238 R CA -0.993 55.200 56.100 0.155 0.000 0.865 238 R CB 1.043 31.409 30.300 0.109 0.000 1.268 238 R HN -0.121 nan 8.270 nan 0.000 0.475 239 V N 1.663 121.599 119.914 0.037 0.000 2.760 239 V HA 0.595 4.715 4.120 -0.001 0.000 0.309 239 V C -1.602 174.441 176.094 -0.085 0.000 1.077 239 V CA -0.868 61.301 62.300 -0.219 0.000 0.910 239 V CB 1.941 33.321 31.823 -0.739 0.000 1.008 239 V HN 0.678 nan 8.190 nan 0.000 0.424 240 I N 5.706 126.178 120.570 -0.164 0.000 2.362 240 I HA 0.539 4.709 4.170 -0.001 0.000 0.289 240 I C 0.404 176.438 176.117 -0.137 0.000 0.994 240 I CA 0.015 61.264 61.300 -0.086 0.000 1.158 240 I CB 2.058 40.008 38.000 -0.082 0.000 1.315 240 I HN 0.792 nan 8.210 nan 0.000 0.451 241 T N 1.445 115.956 114.554 -0.071 0.000 2.771 241 T HA 0.724 5.074 4.350 -0.001 0.000 0.281 241 T C -0.127 174.551 174.700 -0.037 0.000 0.982 241 T CA -0.633 61.398 62.100 -0.115 0.000 0.978 241 T CB 1.022 69.760 68.868 -0.216 0.000 0.930 241 T HN 0.475 nan 8.240 nan 0.000 0.447 242 T N 2.443 116.970 114.554 -0.045 0.000 2.829 242 T HA 0.675 5.025 4.350 -0.001 0.000 0.280 242 T C -0.535 174.138 174.700 -0.045 0.000 0.999 242 T CA -0.807 61.269 62.100 -0.040 0.000 0.983 242 T CB 1.640 70.481 68.868 -0.045 0.000 0.968 242 T HN 0.701 nan 8.240 nan 0.000 0.446 243 S N 1.609 117.266 115.700 -0.071 0.000 2.619 243 S HA 0.661 5.130 4.470 -0.001 0.000 0.280 243 S C -0.902 173.565 174.600 -0.221 0.000 1.150 243 S CA -0.555 57.573 58.200 -0.119 0.000 0.978 243 S CB 0.971 64.120 63.200 -0.085 0.000 1.041 243 S HN 0.711 nan 8.310 nan 0.000 0.485 244 T N 5.432 119.737 114.554 -0.415 0.000 2.863 244 T HA 0.708 5.058 4.350 -0.001 0.000 0.285 244 T C -0.802 173.536 174.700 -0.603 0.000 1.009 244 T CA -0.946 60.744 62.100 -0.682 0.000 0.989 244 T CB 1.139 69.182 68.868 -1.374 0.000 1.004 244 T HN 0.486 nan 8.240 nan 0.000 0.455 245 R N 1.012 121.370 120.500 -0.237 0.000 2.774 245 R HA 0.603 4.943 4.340 -0.001 0.000 0.272 245 R C -0.922 175.565 176.300 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 32.146 30.300 0.326 0.000 1.227 245 R HN 0.574 nan 8.270 nan 0.000 0.468 246 T N 2.709 117.493 114.554 0.382 0.000 2.837 246 T HA 0.544 4.894 4.350 -0.001 0.000 0.285 246 T C -0.297 174.471 174.700 0.114 0.000 0.984 246 T CA -0.561 61.635 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 0.573 121.802 121.300 -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 55.351 57.345 -0.507 0.000 1.192 247 W CB 1.351 30.499 29.460 -0.520 0.000 1.426 247 W HN 0.736 nan 8.180 nan 0.000 0.529 248 A N 2.946 125.765 122.820 -0.002 0.000 2.386 248 A HA 0.789 5.109 4.320 -0.001 0.000 0.311 248 A C -2.154 175.549 177.584 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 3.680 125.072 121.223 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 0.088 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 -1.034 176.104 177.300 -0.270 0.000 1.308 250 P CA -0.384 62.577 63.100 -0.232 0.000 0.743 250 P CB 0.575 31.970 31.700 -0.507 0.000 1.364 251 T N 0.128 114.491 114.554 -0.317 0.000 2.929 251 T HA 0.356 4.705 4.350 -0.001 0.000 0.331 251 T C -0.492 173.990 174.700 -0.363 0.000 1.120 251 T CA -0.042 61.863 62.100 -0.326 0.000 0.973 251 T CB -0.991 67.643 68.868 -0.391 0.000 1.036 251 T HN 0.108 nan 8.240 nan 0.000 0.502 252 Y N 2.144 122.344 120.300 -0.166 0.000 2.397 252 Y HA 0.124 4.673 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 0.039 58.067 58.100 -0.120 0.000 1.391 252 Y CB 0.304 38.724 38.460 -0.068 0.000 1.293 252 Y HN 0.693 nan 8.280 nan 0.000 0.557 253 N N 1.729 120.486 118.700 0.096 0.000 2.690 253 N HA -0.412 4.328 4.740 -0.001 0.000 0.249 253 N C -0.193 175.308 175.510 -0.015 0.000 1.125 253 N CA 0.807 53.880 53.050 0.039 0.000 0.794 253 N CB -0.575 37.938 38.487 0.043 0.000 1.152 253 N HN 0.784 nan 8.380 nan 0.000 0.571 254 N N -0.063 118.567 118.700 -0.117 0.000 2.735 254 N HA -0.203 4.537 4.740 -0.001 0.000 0.248 254 N C -0.576 174.846 175.510 -0.147 0.000 1.083 254 N CA 2.028 54.974 53.050 -0.173 0.000 0.703 254 N CB -1.731 36.752 38.487 -0.007 0.000 1.005 254 N HN 0.764 nan 8.380 nan 0.000 0.550 255 H N -2.870 116.153 119.070 -0.078 0.000 2.899 255 H HA -0.189 4.367 4.556 -0.001 0.000 0.282 255 H C -0.180 175.148 175.328 0.000 0.000 1.198 255 H CA 1.125 57.093 56.048 -0.133 0.000 1.140 255 H CB -1.205 28.340 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 -0.155 176.809 176.870 0.156 0.000 1.002 256 L CA -1.010 53.946 54.840 0.193 0.000 0.818 256 L CB 1.216 43.384 42.059 0.180 0.000 1.298 256 L HN 0.029 nan 8.230 nan 0.000 0.420 257 Y N 2.241 122.684 120.300 0.239 0.000 2.404 257 Y HA 0.291 4.840 4.550 -0.001 0.000 0.344 257 Y C -0.003 176.038 175.900 0.235 0.000 0.995 257 Y CA -0.213 58.060 58.100 0.289 0.000 1.201 257 Y CB 0.838 39.535 38.460 0.395 0.000 1.151 257 Y HN 0.297 nan 8.280 nan 0.000 0.517 258 K N 3.003 123.583 120.400 0.301 0.000 2.292 258 K HA 0.244 4.563 4.320 -0.001 0.000 0.257 258 K C -0.686 176.000 176.600 0.143 0.000 0.940 258 K CA -1.025 55.373 56.287 0.184 0.000 0.811 258 K CB 1.875 34.428 32.500 0.089 0.000 1.120 258 K HN 0.591 nan 8.250 nan 0.000 0.428 259 Q N 4.763 124.588 119.800 0.041 0.000 2.296 259 Q HA 0.248 4.587 4.340 -0.001 0.000 0.262 259 Q C -0.646 175.117 176.000 -0.394 0.000 0.981 259 Q CA -0.308 55.291 55.803 -0.340 0.000 0.905 259 Q CB 0.420 28.982 28.738 -0.294 0.000 1.186 259 Q HN 0.631 nan 8.270 nan 0.000 0.399 260 I N 0.725 120.926 120.570 -0.615 0.000 2.740 260 I HA 0.821 4.991 4.170 -0.001 0.000 0.303 260 I C -0.655 175.061 176.117 -0.670 0.000 1.044 260 I CA -0.712 60.316 61.300 -0.452 0.000 1.064 260 I CB 2.332 40.175 38.000 -0.261 0.000 1.249 260 I HN 0.771 nan 8.210 nan 0.000 0.433 261 S N 2.162 117.535 115.700 -0.545 0.000 2.724 261 S HA 0.530 4.999 4.470 -0.001 0.000 0.278 261 S C -0.567 173.641 174.600 -0.654 0.000 1.190 261 S CA -0.333 57.439 58.200 -0.713 0.000 0.860 261 S CB 0.805 63.892 63.200 -0.189 0.000 1.206 261 S HN 1.051 nan 8.310 nan 0.000 0.507 262 S N 0.960 116.407 115.700 -0.422 0.000 2.601 262 S HA 0.473 4.943 4.470 -0.001 0.000 0.271 262 S C -0.084 174.551 174.600 0.059 0.000 1.305 262 S CA -0.580 57.623 58.200 0.005 0.000 1.022 262 S CB 0.553 63.903 63.200 0.250 0.000 0.940 262 S HN 0.751 nan 8.310 nan 0.000 0.525 263 Q N 1.583 121.430 119.800 0.078 0.000 2.286 263 Q HA 0.069 4.409 4.340 -0.001 0.000 0.290 263 Q C -0.314 175.723 176.000 0.063 0.000 1.049 263 Q CA 0.421 56.252 55.803 0.047 0.000 0.923 263 Q CB 0.452 29.207 28.738 0.028 0.000 1.183 263 Q HN 0.817 nan 8.270 nan 0.000 0.383 264 S N 3.096 118.826 115.700 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 0.666 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 0.105 0.000 2.248 265 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.263 265 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.263 265 G C 0.590 175.500 174.900 0.017 0.000 1.082 265 G CA 0.085 45.233 45.100 0.079 0.000 0.863 265 G HN 0.897 nan 8.290 nan 0.000 0.495 266 A N -1.207 121.602 122.820 -0.019 0.000 1.924 266 A HA 0.766 5.085 4.320 -0.001 0.000 0.211 266 A C 1.313 178.830 177.584 -0.113 0.000 1.198 266 A CA 1.880 53.884 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 -2.511 113.060 115.700 -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 -0.476 0.000 1.150 267 S CA -0.313 57.729 58.200 -0.263 0.000 0.850 267 S CB 1.304 64.366 63.200 -0.229 0.000 1.118 267 S HN 0.464 nan 8.310 nan 0.000 0.461 268 N N 0.815 119.369 118.700 -0.243 0.000 2.508 268 N HA 0.008 4.748 4.740 -0.001 0.000 0.186 268 N C -0.020 175.514 175.510 0.040 0.000 1.034 268 N CA 0.297 53.316 53.050 -0.052 0.000 0.885 268 N CB 0.063 38.605 38.487 0.092 0.000 1.135 268 N HN 0.525 nan 8.380 nan 0.000 0.435 269 D N 0.643 121.038 120.400 -0.008 0.000 2.363 269 D HA 0.012 4.652 4.640 -0.001 0.000 0.226 269 D C 0.007 176.309 176.300 0.003 0.000 1.020 269 D CA 0.619 54.646 54.000 0.045 0.000 0.892 269 D CB -0.250 40.592 40.800 0.071 0.000 0.900 269 D HN 0.463 nan 8.370 nan 0.000 0.531 270 N N -0.586 118.075 118.700 -0.065 0.000 2.200 270 N HA -0.003 4.736 4.740 -0.001 0.000 0.224 270 N C -0.021 175.525 175.510 0.060 0.000 1.179 270 N CA -0.373 52.641 53.050 -0.060 0.000 0.877 270 N CB 0.709 39.109 38.487 -0.145 0.000 1.072 270 N HN 0.059 nan 8.380 nan 0.000 0.519 271 H N 1.312 120.467 119.070 0.141 0.000 2.928 271 H HA 0.027 4.582 4.556 -0.001 0.000 0.338 271 H C -0.469 175.043 175.328 0.306 0.000 1.047 271 H CA 0.650 56.819 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 5.062 4.550 -0.001 0.000 0.334 272 Y C -2.159 173.860 175.900 0.198 0.000 1.179 272 Y CA -1.377 56.816 58.100 0.156 0.000 1.050 272 Y CB 1.515 40.023 38.460 0.080 0.000 1.308 272 Y HN 0.382 nan 8.280 nan 0.000 0.456 273 F N 1.151 121.031 119.950 -0.116 0.000 2.596 273 F HA 0.842 5.369 4.527 -0.001 0.000 0.311 273 F C -0.353 175.357 175.800 -0.150 0.000 1.116 273 F CA 0.001 57.844 58.000 -0.261 0.000 0.957 273 F CB 2.086 40.983 39.000 -0.172 0.000 1.250 273 F HN 1.076 nan 8.300 nan 0.000 0.444 274 G N 2.813 111.045 108.800 -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 -1.098 0.000 1.242 274 G CA -0.599 44.082 45.100 -0.698 0.000 0.859 274 G HN 0.552 nan 8.290 nan 0.000 0.481 275 Y N -0.891 119.020 120.300 -0.647 0.000 2.581 275 Y HA 0.756 5.305 4.550 -0.001 0.000 0.345 275 Y C 0.145 175.833 175.900 -0.353 0.000 1.036 275 Y CA -0.767 57.074 58.100 -0.431 0.000 1.042 275 Y CB 2.658 41.010 38.460 -0.180 0.000 1.289 275 Y HN 0.558 nan 8.280 nan 0.000 0.471 276 S N 1.094 116.825 115.700 0.053 0.000 2.552 276 S HA 0.596 5.065 4.470 -0.001 0.000 0.314 276 S C -0.715 173.931 174.600 0.077 0.000 1.099 276 S CA -0.572 57.637 58.200 0.016 0.000 1.070 276 S CB 0.325 63.519 63.200 -0.009 0.000 0.998 276 S HN 0.701 nan 8.310 nan 0.000 0.474 277 T N 2.339 116.927 114.554 0.057 0.000 2.945 277 T HA 0.601 4.950 4.350 -0.001 0.000 0.286 277 T C -2.534 172.143 174.700 -0.037 0.000 1.025 277 T CA -2.098 59.954 62.100 -0.081 0.000 1.039 277 T CB 1.401 70.420 68.868 0.252 0.000 1.068 277 T HN 0.297 nan 8.240 nan 0.000 0.497 278 P HA 0.194 nan 4.420 nan 0.000 0.249 278 P C -0.861 176.432 177.300 -0.013 0.000 1.241 278 P CA -0.117 62.953 63.100 -0.049 0.000 0.781 278 P CB -0.177 31.448 31.700 -0.125 0.000 1.088 279 W N 0.422 121.730 121.300 0.014 0.000 2.438 279 W HA 0.570 5.229 4.660 -0.001 0.000 0.324 279 W C 1.041 177.580 176.519 0.032 0.000 1.119 279 W CA -0.081 57.291 57.345 0.046 0.000 1.221 279 W CB 0.984 30.467 29.460 0.038 0.000 1.253 279 W HN -0.157 nan 8.180 nan 0.000 0.555 280 G N 1.124 110.052 108.800 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 -0.622 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 -3.090 117.076 120.300 -0.224 0.000 2.641 281 Y HA 0.683 5.233 4.550 -0.001 0.000 0.333 281 Y C -1.830 173.892 175.900 -0.298 0.000 1.174 281 Y CA -2.087 55.865 58.100 -0.247 0.000 1.057 281 Y CB 0.949 39.281 38.460 -0.214 0.000 1.322 281 Y HN 0.389 nan 8.280 nan 0.000 0.457 282 F N 1.957 121.899 119.950 -0.013 0.000 2.404 282 F HA 0.501 5.028 4.527 -0.001 0.000 0.339 282 F C -0.167 175.674 175.800 0.068 0.000 1.105 282 F CA 0.003 58.031 58.000 0.047 0.000 1.087 282 F CB 1.438 40.536 39.000 0.165 0.000 1.143 282 F HN 0.586 nan 8.300 nan 0.000 0.491 283 D N 2.687 123.216 120.400 0.216 0.000 2.780 283 D HA 0.429 5.069 4.640 -0.001 0.000 0.242 283 D C -0.873 175.494 176.300 0.111 0.000 1.135 283 D CA -0.501 53.517 54.000 0.029 0.000 0.859 283 D CB 1.155 41.978 40.800 0.038 0.000 1.530 283 D HN 0.292 nan 8.370 nan 0.000 0.493 284 F N 1.057 121.102 119.950 0.158 0.000 2.608 284 F HA 0.390 4.917 4.527 -0.001 0.000 0.383 284 F C 0.245 176.124 175.800 0.131 0.000 1.371 284 F CA -0.825 57.254 58.000 0.131 0.000 1.123 284 F CB -0.919 38.236 39.000 0.258 0.000 1.207 284 F HN 0.273 nan 8.300 nan 0.000 0.512 285 N N 1.312 119.854 118.700 -0.264 0.000 2.375 285 N HA 0.181 4.920 4.740 -0.001 0.000 0.220 285 N C -0.195 175.108 175.510 -0.345 0.000 1.170 285 N CA -0.096 52.562 53.050 -0.653 0.000 0.833 285 N CB 0.258 38.159 38.487 -0.976 0.000 1.069 285 N HN 0.349 nan 8.380 nan 0.000 0.479 286 R N -0.541 119.857 120.500 -0.170 0.000 2.637 286 R HA 0.223 4.562 4.340 -0.001 0.000 0.291 286 R C 0.076 176.306 176.300 -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 0.169 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 -2.948 116.242 119.070 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 0.405 56.517 56.048 0.107 0.000 1.171 288 H CB -1.453 28.335 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 59.705 59.018 -0.272 0.000 1.774 289 C CB -0.633 26.804 27.740 -0.505 0.000 1.888 289 C HN 0.800 nan 8.230 nan 0.000 0.519 290 H N -2.924 116.245 119.070 0.164 0.000 2.545 290 H HA 0.225 4.780 4.556 -0.001 0.000 0.251 290 H C -0.040 175.213 175.328 -0.124 0.000 0.934 290 H CA 0.152 56.210 56.048 0.017 0.000 1.116 290 H CB -0.112 29.680 29.762 0.051 0.000 1.439 290 H HN 0.312 nan 8.280 nan 0.000 0.445 291 F N 3.498 123.602 119.950 0.256 0.000 2.411 291 F HA 0.209 4.736 4.527 -0.001 0.000 0.355 291 F C 1.107 176.993 175.800 0.144 0.000 1.117 291 F CA -0.804 57.310 58.000 0.189 0.000 1.139 291 F CB 1.081 40.261 39.000 0.300 0.000 1.120 291 F HN -0.019 nan 8.300 nan 0.000 0.493 292 S N 3.942 119.797 115.700 0.257 0.000 2.584 292 S HA 0.218 4.688 4.470 -0.001 0.000 0.270 292 S C -1.860 172.845 174.600 0.175 0.000 1.346 292 S CA -1.012 57.298 58.200 0.184 0.000 1.018 292 S CB 1.216 64.504 63.200 0.146 0.000 0.899 292 S HN 0.360 nan 8.310 nan 0.000 0.542 293 P HA -0.142 nan 4.420 nan 0.000 0.215 293 P C 1.736 179.021 177.300 -0.024 0.000 1.157 293 P CA 1.214 64.215 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 0.398 120.929 120.500 0.051 0.000 2.103 294 R HA -0.164 4.176 4.340 -0.001 0.000 0.242 294 R C 1.774 178.150 176.300 0.127 0.000 1.142 294 R CA 1.998 58.146 56.100 0.079 0.000 0.960 294 R CB -1.657 28.703 30.300 0.101 0.000 0.858 294 R HN 0.120 nan 8.270 nan 0.000 0.439 295 D N -0.614 119.935 120.400 0.248 0.000 2.097 295 D HA -0.220 4.419 4.640 -0.001 0.000 0.195 295 D C 1.653 178.178 176.300 0.375 0.000 0.989 295 D CA 1.203 55.472 54.000 0.447 0.000 0.827 295 D CB -0.614 40.515 40.800 0.547 0.000 0.966 295 D HN 0.373 nan 8.370 nan 0.000 0.456 296 W N 2.042 123.373 121.300 0.051 0.000 2.325 296 W HA -0.241 4.418 4.660 -0.001 0.000 0.299 296 W C 2.154 178.520 176.519 -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 0.320 120.070 119.800 -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 -0.220 0.000 0.978 297 Q CA 1.826 57.515 55.803 -0.189 0.000 0.844 297 Q CB -0.198 28.498 28.738 -0.070 0.000 0.898 297 Q HN 0.266 nan 8.270 nan 0.000 0.426 298 R N 0.160 120.544 120.500 -0.194 0.000 2.081 298 R HA -0.125 4.215 4.340 -0.001 0.000 0.235 298 R C 2.479 178.562 176.300 -0.361 0.000 1.131 298 R CA 1.342 57.222 56.100 -0.366 0.000 0.960 298 R CB -0.480 29.416 30.300 -0.673 0.000 0.856 298 R HN 0.330 nan 8.270 nan 0.000 0.436 299 L N 0.786 121.885 121.223 -0.208 0.000 1.976 299 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 299 L C 2.147 178.801 176.870 -0.360 0.000 1.071 299 L CA 1.279 55.986 54.840 -0.220 0.000 0.746 299 L CB -0.197 41.562 42.059 -0.499 0.000 0.890 299 L HN 0.134 nan 8.230 nan 0.000 0.432 300 I N 0.627 120.865 120.570 -0.554 0.000 2.208 300 I HA -0.300 3.869 4.170 -0.001 0.000 0.245 300 I C 1.796 177.781 176.117 -0.220 0.000 1.097 300 I CA 1.463 62.481 61.300 -0.469 0.000 1.363 300 I CB -1.564 36.057 38.000 -0.632 0.000 1.051 300 I HN 0.434 nan 8.210 nan 0.000 0.413 301 N N 0.935 119.505 118.700 -0.216 0.000 2.398 301 N HA -0.025 4.715 4.740 -0.001 0.000 0.188 301 N C 0.872 176.348 175.510 -0.057 0.000 1.122 301 N CA 0.352 53.339 53.050 -0.104 0.000 0.866 301 N CB -0.026 38.392 38.487 -0.115 0.000 0.970 301 N HN 0.452 nan 8.380 nan 0.000 0.462 302 N N -0.235 118.420 118.700 -0.075 0.000 2.113 302 N HA 0.094 4.834 4.740 -0.001 0.000 0.223 302 N C -0.798 174.684 175.510 -0.046 0.000 1.310 302 N CA -0.052 52.948 53.050 -0.083 0.000 0.896 302 N CB 0.916 39.311 38.487 -0.154 0.000 1.097 302 N HN 0.111 nan 8.380 nan 0.000 0.507 303 N N -0.219 118.512 118.700 0.053 0.000 2.346 303 N HA 0.146 4.886 4.740 -0.001 0.000 0.289 303 N C 0.279 176.000 175.510 0.352 0.000 1.027 303 N CA -0.435 52.692 53.050 0.128 0.000 0.864 303 N CB 1.681 40.251 38.487 0.138 0.000 1.370 303 N HN 0.119 nan 8.380 nan 0.000 0.481 304 W N 1.997 123.285 121.300 -0.021 0.000 2.341 304 W HA -0.131 4.529 4.660 -0.001 0.000 0.283 304 W C 1.092 177.644 176.519 0.055 0.000 1.215 304 W CA 0.233 57.552 57.345 -0.044 0.000 1.211 304 W CB 0.395 29.741 29.460 -0.190 0.000 1.131 304 W HN 0.615 nan 8.180 nan 0.000 0.552 305 G N -1.615 107.376 108.800 0.318 0.000 2.430 305 G HA2 0.433 4.393 3.960 -0.001 0.000 0.300 305 G HA3 0.433 4.393 3.960 -0.001 0.000 0.300 305 G C -1.781 173.472 174.900 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 -1.405 118.965 119.950 0.701 0.000 2.807 306 F HA 0.930 5.457 4.527 -0.001 0.000 0.316 306 F C -0.888 175.311 175.800 0.666 0.000 1.162 306 F CA -1.137 57.310 58.000 0.746 0.000 0.910 306 F CB 1.437 40.678 39.000 0.403 0.000 1.314 306 F HN 0.996 nan 8.300 nan 0.000 0.454 307 R N -0.030 120.795 120.500 0.541 0.000 2.728 307 R HA 0.725 5.064 4.340 -0.001 0.000 0.274 307 R C -3.641 172.628 176.300 -0.051 0.000 1.032 307 R CA -1.855 54.206 56.100 -0.065 0.000 0.866 307 R CB 1.744 31.722 30.300 -0.537 0.000 1.263 307 R HN 0.396 nan 8.270 nan 0.000 0.475 308 P HA 0.355 nan 4.420 nan 0.000 0.279 308 P C -0.766 176.026 177.300 -0.847 0.000 1.252 308 P CA -0.596 61.769 63.100 -1.225 0.000 0.811 308 P CB 1.219 31.591 31.700 -2.214 0.000 1.035 309 K N 0.536 120.536 120.400 -0.667 0.000 2.524 309 K HA 0.288 4.608 4.320 -0.001 0.000 0.210 309 K C 0.380 176.967 176.600 -0.022 0.000 1.340 309 K CA 0.805 56.938 56.287 -0.257 0.000 0.880 309 K CB 0.287 32.671 32.500 -0.194 0.000 1.616 309 K HN 0.360 nan 8.250 nan 0.000 0.457 310 K N 0.220 120.580 120.400 -0.067 0.000 2.378 310 K HA 0.567 4.886 4.320 -0.001 0.000 0.244 310 K C -1.341 175.290 176.600 0.053 0.000 1.039 310 K CA -0.954 55.323 56.287 -0.016 0.000 0.863 310 K CB 1.981 34.415 32.500 -0.110 0.000 1.326 310 K HN -0.072 nan 8.250 nan 0.000 0.460 311 L N -0.289 120.937 121.223 0.005 0.000 2.565 311 L HA 0.394 4.734 4.340 -0.001 0.000 0.261 311 L C -1.852 174.985 176.870 -0.055 0.000 0.932 311 L CA 0.028 54.883 54.840 0.025 0.000 0.878 311 L CB 2.422 44.564 42.059 0.139 0.000 1.333 311 L HN 0.513 nan 8.230 nan 0.000 0.409 312 S N 4.498 120.174 115.700 -0.041 0.000 2.605 312 S HA 0.654 5.123 4.470 -0.001 0.000 0.308 312 S C -1.245 173.393 174.600 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 3.414 123.373 119.950 0.014 0.000 2.469 313 F HA 0.687 5.214 4.527 -0.001 0.000 0.332 313 F C -0.279 175.591 175.800 0.117 0.000 1.103 313 F CA -0.487 57.572 58.000 0.098 0.000 0.979 313 F CB 0.984 40.172 39.000 0.313 0.000 1.137 313 F HN 0.416 nan 8.300 nan 0.000 0.463 314 K N 7.285 127.311 120.400 -0.623 0.000 2.535 314 K HA 0.533 4.853 4.320 -0.001 0.000 0.251 314 K C -2.180 174.301 176.600 -0.198 0.000 0.942 314 K CA -0.607 55.546 56.287 -0.223 0.000 0.798 314 K CB 1.578 34.044 32.500 -0.057 0.000 1.267 314 K HN 0.773 nan 8.250 nan 0.000 0.434 315 L N 5.865 127.157 121.223 0.114 0.000 2.346 315 L HA 0.699 5.038 4.340 -0.001 0.000 0.276 315 L C -0.744 176.381 176.870 0.425 0.000 1.006 315 L CA -0.875 54.052 54.840 0.145 0.000 0.817 315 L CB 0.993 43.125 42.059 0.122 0.000 1.272 315 L HN 0.704 nan 8.230 nan 0.000 0.421 316 F N -0.638 119.416 119.950 0.173 0.000 2.877 316 F HA 0.366 4.893 4.527 -0.001 0.000 0.319 316 F C -0.166 175.704 175.800 0.117 0.000 1.174 316 F CA -1.469 56.609 58.000 0.130 0.000 0.903 316 F CB 1.077 40.119 39.000 0.070 0.000 1.357 316 F HN 0.484 nan 8.300 nan 0.000 0.472 317 N N 0.581 119.436 118.700 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 0.520 53.632 53.050 0.104 0.000 0.742 317 N CB -1.067 37.486 38.487 0.110 0.000 0.906 317 N HN 0.488 nan 8.380 nan 0.000 0.541 318 I N 0.902 121.490 120.570 0.030 0.000 2.474 318 I HA 0.095 4.264 4.170 -0.001 0.000 0.287 318 I C 0.491 176.573 176.117 -0.057 0.000 1.048 318 I CA 0.117 61.414 61.300 -0.004 0.000 1.383 318 I CB 0.897 38.973 38.000 0.126 0.000 1.412 318 I HN 0.138 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 0.511 4.850 4.340 -0.001 0.000 0.269 319 Q C -1.403 174.483 176.000 -0.191 0.000 1.030 319 Q CA -0.759 54.955 55.803 -0.148 0.000 0.788 319 Q CB 3.139 31.771 28.738 -0.177 0.000 1.266 319 Q HN 0.391 nan 8.270 nan 0.000 0.438 320 V N 3.329 123.150 119.914 -0.155 0.000 2.347 320 V HA 0.355 4.475 4.120 -0.001 0.000 0.280 320 V C -0.326 175.621 176.094 -0.245 0.000 1.021 320 V CA -0.635 61.550 62.300 -0.191 0.000 0.847 320 V CB 1.167 32.933 31.823 -0.095 0.000 0.990 320 V HN 0.546 nan 8.190 nan 0.000 0.444 321 K N 4.196 124.329 120.400 -0.445 0.000 2.244 321 K HA 0.563 4.882 4.320 -0.001 0.000 0.260 321 K C -0.350 176.115 176.600 -0.225 0.000 0.951 321 K CA -0.605 55.445 56.287 -0.396 0.000 0.826 321 K CB 2.524 34.640 32.500 -0.640 0.000 1.108 321 K HN 0.893 nan 8.250 nan 0.000 0.433 322 E N 0.286 120.453 120.200 -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 55.412 56.400 0.036 0.000 0.781 322 E CB 1.979 31.696 29.700 0.029 0.000 1.140 322 E HN 0.135 nan 8.360 nan 0.000 0.402 323 V N 2.329 122.310 119.914 0.111 0.000 2.815 323 V HA 0.803 4.923 4.120 -0.001 0.000 0.314 323 V C -1.041 175.089 176.094 0.060 0.000 1.064 323 V CA 0.004 62.359 62.300 0.092 0.000 0.952 323 V CB 2.113 33.996 31.823 0.101 0.000 1.020 323 V HN 1.022 nan 8.190 nan 0.000 0.439 324 T N 2.807 117.386 114.554 0.043 0.000 2.928 324 T HA 0.578 4.928 4.350 -0.001 0.000 0.296 324 T C -0.924 173.789 174.700 0.022 0.000 1.000 324 T CA -0.671 61.449 62.100 0.033 0.000 0.989 324 T CB 1.573 70.460 68.868 0.031 0.000 1.005 324 T HN 0.602 nan 8.240 nan 0.000 0.442 325 Q N 2.953 122.764 119.800 0.017 0.000 2.503 325 Q HA 0.394 4.733 4.340 -0.001 0.000 0.227 325 Q C 0.861 176.867 176.000 0.010 0.000 1.109 325 Q CA -0.484 55.325 55.803 0.010 0.000 0.922 325 Q CB 0.535 29.276 28.738 0.005 0.000 1.249 325 Q HN 0.544 nan 8.270 nan 0.000 0.530 326 N N 1.138 119.843 118.700 0.009 0.000 2.132 326 N HA -0.077 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 1.245 54.300 53.050 0.009 0.000 0.846 326 N CB 0.416 38.908 38.487 0.009 0.000 1.012 326 N HN 0.445 nan 8.380 nan 0.000 0.429 327 D N -1.629 118.773 120.400 0.004 0.000 3.051 327 D HA 0.227 4.867 4.640 -0.001 0.000 0.216 327 D C 1.040 177.340 176.300 -0.000 0.000 1.454 327 D CA 0.492 54.493 54.000 0.002 0.000 1.400 327 D CB -0.479 40.322 40.800 0.001 0.000 0.975 327 D HN 0.226 nan 8.370 nan 0.000 0.212 328 G N -0.193 108.606 108.800 -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 -0.215 174.682 174.900 -0.004 0.000 1.005 328 G CA 0.110 45.208 45.100 -0.003 0.000 0.824 328 G HN 0.241 nan 8.290 nan 0.000 0.489 329 T N 0.689 115.242 114.554 -0.002 0.000 2.881 329 T HA 0.525 4.875 4.350 -0.001 0.000 0.290 329 T C -0.326 174.374 174.700 0.000 0.000 1.000 329 T CA -0.270 61.829 62.100 -0.002 0.000 0.978 329 T CB 1.361 70.228 68.868 -0.001 0.000 0.997 329 T HN 0.111 nan 8.240 nan 0.000 0.443 330 T N 2.221 116.774 114.554 -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 0.266 69.130 68.868 -0.007 0.000 0.928 330 T HN 0.714 nan 8.240 nan 0.000 0.474 331 T N 1.998 116.561 114.554 0.015 0.000 2.837 331 T HA 0.663 5.013 4.350 -0.001 0.000 0.285 331 T C 0.002 174.722 174.700 0.034 0.000 0.984 331 T CA -0.941 61.171 62.100 0.020 0.000 1.049 331 T CB 0.501 69.379 68.868 0.016 0.000 0.947 331 T HN 0.645 nan 8.240 nan 0.000 0.472 332 I N 2.166 122.760 120.570 0.041 0.000 2.406 332 I HA 0.670 4.839 4.170 -0.001 0.000 0.290 332 I C 0.160 176.300 176.117 0.039 0.000 0.999 332 I CA -1.039 60.300 61.300 0.066 0.000 1.124 332 I CB 1.554 39.620 38.000 0.109 0.000 1.289 332 I HN 0.914 nan 8.210 nan 0.000 0.441 333 A N 5.323 128.159 122.820 0.026 0.000 2.479 333 A HA 0.626 4.946 4.320 -0.001 0.000 0.296 333 A C -0.892 176.678 177.584 -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 1.982 120.665 118.700 -0.028 0.000 2.470 334 N HA 0.126 4.865 4.740 -0.001 0.000 0.268 334 N C -0.979 174.511 175.510 -0.034 0.000 1.136 334 N CA 0.175 53.198 53.050 -0.044 0.000 0.961 334 N CB 0.756 39.221 38.487 -0.036 0.000 1.067 334 N HN 0.590 nan 8.380 nan 0.000 0.468 335 N N 3.420 122.092 118.700 -0.046 0.000 2.699 335 N HA 0.204 4.944 4.740 -0.001 0.000 0.232 335 N C 0.899 176.393 175.510 -0.028 0.000 1.027 335 N CA -0.285 52.748 53.050 -0.029 0.000 0.920 335 N CB 0.329 38.801 38.487 -0.025 0.000 1.148 335 N HN 0.453 nan 8.380 nan 0.000 0.509 336 L N 0.987 122.200 121.223 -0.017 0.000 2.156 336 L HA -0.066 4.274 4.340 -0.001 0.000 0.208 336 L C 1.984 178.852 176.870 -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 -4.380 110.174 114.554 -0.001 0.000 3.148 337 T HA 0.012 4.361 4.350 -0.001 0.000 0.253 337 T C 0.965 175.666 174.700 0.003 0.000 1.134 337 T CA -0.061 62.041 62.100 0.004 0.000 1.051 337 T CB 0.040 68.911 68.868 0.005 0.000 0.959 337 T HN 0.094 nan 8.240 nan 0.000 0.525 338 S N 1.951 117.649 115.700 -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 63.896 63.200 -0.016 0.000 0.940 338 S HN 0.743 nan 8.310 nan 0.000 0.525 339 T N 0.225 114.779 114.554 0.000 0.000 2.905 339 T HA 0.794 5.144 4.350 -0.001 0.000 0.283 339 T C -0.570 174.137 174.700 0.011 0.000 1.031 339 T CA -0.786 61.323 62.100 0.015 0.000 1.002 339 T CB 1.327 70.207 68.868 0.019 0.000 1.200 339 T HN 0.609 nan 8.240 nan 0.000 0.560 340 V N 0.152 120.086 119.914 0.033 0.000 3.087 340 V HA 0.523 4.642 4.120 -0.001 0.000 0.306 340 V C -1.791 174.326 176.094 0.038 0.000 1.187 340 V CA -0.789 61.526 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 3.486 123.289 119.800 0.005 0.000 2.331 341 Q HA 0.765 5.104 4.340 -0.001 0.000 0.267 341 Q C -1.454 174.667 176.000 0.202 0.000 1.006 341 Q CA -0.637 55.233 55.803 0.112 0.000 0.818 341 Q CB 2.562 31.383 28.738 0.139 0.000 1.276 341 Q HN 0.552 nan 8.270 nan 0.000 0.450 342 V N 3.359 123.370 119.914 0.162 0.000 2.823 342 V HA 0.745 4.865 4.120 -0.001 0.000 0.312 342 V C -0.720 175.411 176.094 0.063 0.000 1.072 342 V CA -0.831 61.448 62.300 -0.036 0.000 0.937 342 V CB 1.326 32.818 31.823 -0.553 0.000 1.013 342 V HN 0.791 nan 8.190 nan 0.000 0.430 343 F N 0.318 120.118 119.950 -0.251 0.000 2.817 343 F HA 0.805 5.332 4.527 -0.001 0.000 0.317 343 F C -0.902 174.703 175.800 -0.325 0.000 1.168 343 F CA -0.686 57.189 58.000 -0.209 0.000 0.911 343 F CB 1.980 40.897 39.000 -0.139 0.000 1.337 343 F HN 0.470 nan 8.300 nan 0.000 0.464 344 T N 0.681 115.093 114.554 -0.237 0.000 2.841 344 T HA 0.286 4.636 4.350 -0.001 0.000 0.285 344 T C -1.531 172.996 174.700 -0.289 0.000 0.991 344 T CA -0.409 61.392 62.100 -0.499 0.000 0.966 344 T CB 0.908 69.370 68.868 -0.676 0.000 0.962 344 T HN 0.835 nan 8.240 nan 0.000 0.438 345 D N 3.381 123.522 120.400 -0.432 0.000 2.498 345 D HA 0.249 4.889 4.640 -0.001 0.000 0.229 345 D C 0.858 176.915 176.300 -0.405 0.000 1.188 345 D CA 0.110 53.925 54.000 -0.308 0.000 1.028 345 D CB 0.061 40.645 40.800 -0.360 0.000 1.087 345 D HN 0.428 nan 8.370 nan 0.000 0.510 346 S N 2.013 117.531 115.700 -0.302 0.000 2.501 346 S HA 0.007 4.477 4.470 -0.001 0.000 0.220 346 S C 1.250 175.564 174.600 -0.476 0.000 0.997 346 S CA 0.066 58.037 58.200 -0.382 0.000 0.919 346 S CB 0.231 63.375 63.200 -0.092 0.000 0.778 346 S HN 0.536 nan 8.310 nan 0.000 0.523 347 E N 0.294 120.330 120.200 -0.273 0.000 2.474 347 E HA 0.129 4.479 4.350 -0.001 0.000 0.195 347 E C -0.887 175.737 176.600 0.039 0.000 1.039 347 E CA -0.318 56.035 56.400 -0.078 0.000 0.881 347 E CB 0.056 29.763 29.700 0.013 0.000 0.970 347 E HN 0.538 nan 8.360 nan 0.000 0.486 348 Y N 0.510 120.827 120.300 0.028 0.000 3.078 348 Y HA -0.296 4.253 4.550 -0.001 0.000 0.202 348 Y C 1.050 176.936 175.900 -0.024 0.000 1.322 348 Y CA 0.319 58.413 58.100 -0.010 0.000 1.118 348 Y CB -2.421 36.026 38.460 -0.022 0.000 1.343 348 Y HN 0.205 nan 8.280 nan 0.000 0.499 349 Q N -0.109 119.735 119.800 0.073 0.000 2.396 349 Q HA 0.260 4.599 4.340 -0.001 0.000 0.209 349 Q C 0.374 176.293 176.000 -0.136 0.000 0.906 349 Q CA 0.184 56.018 55.803 0.051 0.000 0.927 349 Q CB 0.592 29.432 28.738 0.170 0.000 1.069 349 Q HN 0.551 nan 8.270 nan 0.000 0.523 350 L N 1.868 122.975 121.223 -0.193 0.000 2.325 350 L HA 0.383 4.722 4.340 -0.001 0.000 0.279 350 L C -2.227 174.486 176.870 -0.262 0.000 1.054 350 L CA -2.423 52.166 54.840 -0.419 0.000 0.804 350 L CB 0.966 42.754 42.059 -0.451 0.000 1.200 350 L HN -0.183 nan 8.230 nan 0.000 0.436 351 P HA -0.120 nan 4.420 nan 0.000 0.260 351 P C -1.077 176.263 177.300 0.067 0.000 1.185 351 P CA 0.164 63.217 63.100 -0.080 0.000 0.763 351 P CB -0.018 31.634 31.700 -0.080 0.000 0.776 352 Y N 4.148 124.444 120.300 -0.008 0.000 2.584 352 Y HA 0.118 4.668 4.550 -0.001 0.000 0.351 352 Y C 1.211 177.120 175.900 0.015 0.000 1.030 352 Y CA 0.289 58.395 58.100 0.011 0.000 1.332 352 Y CB 0.365 38.850 38.460 0.041 0.000 1.148 352 Y HN 0.150 nan 8.280 nan 0.000 0.528 353 V N 7.063 126.806 119.914 -0.284 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 -0.308 0.000 1.346 353 V CA 0.303 62.455 62.300 -0.248 0.000 1.104 353 V CB -0.610 31.019 31.823 -0.324 0.000 0.913 353 V HN 0.590 nan 8.190 nan 0.000 0.432 354 L N -0.243 120.629 121.223 -0.586 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 -0.157 0.000 1.151 354 L CA 0.299 54.889 54.840 -0.416 0.000 0.806 354 L CB -0.076 41.613 42.059 -0.616 0.000 1.261 354 L HN 0.283 nan 8.230 nan 0.000 0.484 355 G N 0.158 108.878 108.800 -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 0.457 175.355 174.900 -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 -0.500 115.198 115.700 -0.002 0.000 2.754 356 S HA 0.578 5.048 4.470 -0.001 0.000 0.247 356 S C 1.481 175.936 174.600 -0.242 0.000 1.031 356 S CA 0.983 59.134 58.200 -0.082 0.000 1.014 356 S CB 0.646 63.827 63.200 -0.032 0.000 0.918 356 S HN 2.146 nan 8.310 nan 0.000 0.519 357 A N 1.597 124.348 122.820 -0.114 0.000 2.816 357 A HA -0.220 4.100 4.320 -0.001 0.000 0.270 357 A C 0.420 177.950 177.584 -0.091 0.000 1.413 357 A CA 0.898 52.888 52.037 -0.079 0.000 0.866 357 A CB -2.277 16.684 19.000 -0.064 0.000 1.032 357 A HN 0.667 nan 8.150 nan 0.000 0.642 358 H N -0.118 118.955 119.070 0.004 0.000 2.767 358 H HA 0.252 4.808 4.556 -0.001 0.000 0.380 358 H C 1.011 176.362 175.328 0.038 0.000 1.409 358 H CA 0.929 56.991 56.048 0.023 0.000 1.463 358 H CB 0.290 30.076 29.762 0.040 0.000 1.514 358 H HN 0.744 nan 8.280 nan 0.000 0.619 359 Q N -1.194 118.723 119.800 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 0.095 0.000 0.970 359 Q CA -0.232 55.646 55.803 0.126 0.000 0.919 359 Q CB 1.628 30.429 28.738 0.106 0.000 1.222 359 Q HN 0.958 nan 8.270 nan 0.000 0.482 360 G N -0.421 108.425 108.800 0.077 0.000 2.138 360 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.193 360 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.193 360 G C 0.112 175.010 174.900 -0.003 0.000 0.998 360 G CA -0.346 44.787 45.100 0.056 0.000 0.668 360 G HN 0.575 nan 8.290 nan 0.000 0.516 361 C N 0.247 119.536 119.300 -0.019 0.000 2.641 361 C HA 0.612 5.072 4.460 -0.001 0.000 0.318 361 C C 1.597 176.408 174.990 -0.298 0.000 1.490 361 C CA -0.650 58.314 59.018 -0.090 0.000 2.260 361 C CB -0.017 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 2.385 123.426 121.223 -0.302 0.000 2.410 362 L HA 0.216 4.555 4.340 -0.001 0.000 0.273 362 L C -2.077 174.725 176.870 -0.114 0.000 1.152 362 L CA -1.108 53.471 54.840 -0.435 0.000 0.855 362 L CB -0.094 41.825 42.059 -0.232 0.000 1.129 362 L HN 0.386 nan 8.230 nan 0.000 0.463 363 P HA 0.023 nan 4.420 nan 0.000 0.262 363 P C -2.001 175.382 177.300 0.138 0.000 1.182 363 P CA -0.855 62.308 63.100 0.105 0.000 0.761 363 P CB 0.183 31.980 31.700 0.162 0.000 0.795 364 P HA -0.151 nan 4.420 nan 0.000 0.216 364 P C 0.212 177.515 177.300 0.004 0.000 1.150 364 P CA 1.248 64.410 63.100 0.104 0.000 0.843 364 P CB -0.021 31.622 31.700 -0.095 0.000 0.787 365 F N -0.205 119.587 119.950 -0.264 0.000 2.411 365 F HA 0.286 4.813 4.527 -0.001 0.000 0.350 365 F C -1.698 174.056 175.800 -0.077 0.000 1.114 365 F CA -3.001 54.775 58.000 -0.375 0.000 1.135 365 F CB 1.052 39.745 39.000 -0.511 0.000 1.120 365 F HN -0.110 nan 8.300 nan 0.000 0.495 366 P HA -0.149 nan 4.420 nan 0.000 0.218 366 P C 0.999 178.273 177.300 -0.044 0.000 1.148 366 P CA 1.750 64.760 63.100 -0.150 0.000 0.822 366 P CB 0.092 31.705 31.700 -0.146 0.000 0.784 367 A N -1.034 121.614 122.820 -0.286 0.000 2.119 367 A HA -0.054 4.265 4.320 -0.001 0.000 0.217 367 A C 0.657 178.350 177.584 0.182 0.000 1.153 367 A CA 0.725 52.760 52.037 -0.004 0.000 0.692 367 A CB -0.939 18.117 19.000 0.093 0.000 0.799 367 A HN 0.095 nan 8.150 nan 0.000 0.458 368 D N 0.160 120.713 120.400 0.255 0.000 2.348 368 D HA 0.378 5.018 4.640 -0.001 0.000 0.253 368 D C -0.190 176.273 176.300 0.272 0.000 1.161 368 D CA 0.142 54.300 54.000 0.263 0.000 0.876 368 D CB 1.385 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 3.268 123.323 119.914 0.235 0.000 2.686 369 V HA 0.423 4.542 4.120 -0.001 0.000 0.295 369 V C 0.091 176.370 176.094 0.309 0.000 1.057 369 V CA -0.485 61.962 62.300 0.246 0.000 1.012 369 V CB 0.508 32.401 31.823 0.118 0.000 1.006 369 V HN 0.423 nan 8.190 nan 0.000 0.477 370 F N 2.525 122.565 119.950 0.149 0.000 2.593 370 F HA 0.777 5.304 4.527 -0.001 0.000 0.320 370 F C -0.457 175.423 175.800 0.134 0.000 1.060 370 F CA -1.349 56.732 58.000 0.134 0.000 0.940 370 F CB 1.940 41.026 39.000 0.143 0.000 1.268 370 F HN 0.446 nan 8.300 nan 0.000 0.475 371 M N 3.283 122.923 119.600 0.066 0.000 2.264 371 M HA 0.525 5.005 4.480 -0.001 0.000 0.352 371 M C -1.339 174.959 176.300 -0.003 0.000 1.173 371 M CA -0.850 54.426 55.300 -0.039 0.000 1.075 371 M CB 1.537 34.164 32.600 0.044 0.000 1.621 371 M HN 0.611 nan 8.290 nan 0.000 0.457 372 V N 7.369 127.206 119.914 -0.128 0.000 2.508 372 V HA 0.249 4.368 4.120 -0.001 0.000 0.281 372 V C -2.056 173.962 176.094 -0.126 0.000 1.041 372 V CA -1.267 60.925 62.300 -0.181 0.000 1.016 372 V CB 0.455 32.031 31.823 -0.411 0.000 0.984 372 V HN 0.758 nan 8.190 nan 0.000 0.478 373 P HA 0.100 nan 4.420 nan 0.000 0.269 373 P C -0.575 176.425 177.300 -0.500 0.000 1.215 373 P CA -0.145 62.706 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 1.275 120.756 119.800 -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 0.019 0.000 0.915 374 Q CA -0.704 54.709 55.803 -0.651 0.000 0.900 374 Q CB 0.495 28.483 28.738 -1.250 0.000 1.229 374 Q HN 0.376 nan 8.270 nan 0.000 0.439 375 Y N 1.475 121.775 120.300 -0.000 0.000 2.327 375 Y HA 0.581 5.131 4.550 -0.001 0.000 0.336 375 Y C -0.297 175.605 175.900 0.003 0.000 1.035 375 Y CA 0.140 58.258 58.100 0.030 0.000 1.165 375 Y CB 1.221 39.708 38.460 0.044 0.000 1.181 375 Y HN 0.639 nan 8.280 nan 0.000 0.494 376 G N 5.070 113.506 108.800 -0.607 0.000 2.696 376 G HA2 0.528 4.487 3.960 -0.001 0.000 0.295 376 G HA3 0.528 4.487 3.960 -0.001 0.000 0.295 376 G C -2.294 172.300 174.900 -0.510 0.000 1.398 376 G CA -0.823 43.993 45.100 -0.473 0.000 0.920 376 G HN 0.743 nan 8.290 nan 0.000 0.492 377 Y N -1.063 119.035 120.300 -0.337 0.000 2.615 377 Y HA 0.822 5.372 4.550 -0.001 0.000 0.341 377 Y C -1.174 174.738 175.900 0.020 0.000 1.089 377 Y CA -1.694 56.296 58.100 -0.184 0.000 1.049 377 Y CB 1.536 39.915 38.460 -0.134 0.000 1.296 377 Y HN 0.467 nan 8.280 nan 0.000 0.470 378 L N 2.003 123.360 121.223 0.223 0.000 2.334 378 L HA 0.733 5.073 4.340 -0.001 0.000 0.273 378 L C -0.221 176.859 176.870 0.350 0.000 1.013 378 L CA -0.609 54.359 54.840 0.214 0.000 0.816 378 L CB 2.405 44.585 42.059 0.202 0.000 1.278 378 L HN 0.965 nan 8.230 nan 0.000 0.431 379 T N 0.341 115.098 114.554 0.340 0.000 2.688 379 T HA 0.452 4.801 4.350 -0.001 0.000 0.249 379 T C -0.891 173.989 174.700 0.299 0.000 0.944 379 T CA -0.682 61.648 62.100 0.383 0.000 1.058 379 T CB 0.885 70.035 68.868 0.470 0.000 1.673 379 T HN 0.117 nan 8.240 nan 0.000 0.565 380 L N 2.976 124.358 121.223 0.265 0.000 2.350 380 L HA 0.578 4.917 4.340 -0.001 0.000 0.275 380 L C -0.575 176.384 176.870 0.149 0.000 1.099 380 L CA -0.365 54.586 54.840 0.185 0.000 0.808 380 L CB 0.127 42.272 42.059 0.143 0.000 1.149 380 L HN 0.910 nan 8.230 nan 0.000 0.442 381 N N 1.285 120.051 118.700 0.110 0.000 2.331 381 N HA 0.328 5.068 4.740 -0.001 0.000 0.280 381 N C -1.377 174.138 175.510 0.010 0.000 1.155 381 N CA -0.735 52.341 53.050 0.043 0.000 0.822 381 N CB 0.943 39.504 38.487 0.122 0.000 1.619 381 N HN 0.362 nan 8.380 nan 0.000 0.476 382 N N 1.100 119.761 118.700 -0.064 0.000 2.816 382 N HA 0.435 5.175 4.740 -0.001 0.000 0.236 382 N C 0.637 176.067 175.510 -0.133 0.000 1.076 382 N CA 0.987 53.996 53.050 -0.068 0.000 0.902 382 N CB 0.048 38.490 38.487 -0.076 0.000 1.149 382 N HN 1.029 nan 8.380 nan 0.000 0.506 383 G N 2.340 111.055 108.800 -0.142 0.000 2.523 383 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.271 383 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.271 383 G C 0.791 175.483 174.900 -0.347 0.000 1.146 383 G CA 0.521 45.367 45.100 -0.423 0.000 0.961 383 G HN 0.776 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 0.301 4.771 4.470 -0.001 0.000 0.219 384 S C 1.074 175.604 174.600 -0.118 0.000 0.985 384 S CA 1.301 59.442 58.200 -0.099 0.000 0.914 384 S CB 0.233 63.427 63.200 -0.010 0.000 0.776 384 S HN 0.757 nan 8.310 nan 0.000 0.526 385 Q N 0.586 120.259 119.800 -0.212 0.000 2.237 385 Q HA 0.718 5.057 4.340 -0.001 0.000 0.219 385 Q C -0.318 175.392 176.000 -0.483 0.000 0.999 385 Q CA -0.410 55.205 55.803 -0.313 0.000 0.959 385 Q CB 1.168 29.769 28.738 -0.228 0.000 1.173 385 Q HN 0.490 nan 8.270 nan 0.000 0.527 386 A N 0.367 122.779 122.820 -0.680 0.000 2.346 386 A HA 0.703 5.023 4.320 -0.001 0.000 0.313 386 A C -0.689 176.707 177.584 -0.312 0.000 1.140 386 A CA -0.605 51.022 52.037 -0.684 0.000 0.826 386 A CB 1.000 19.252 19.000 -1.247 0.000 1.332 386 A HN 0.465 nan 8.150 nan 0.000 0.457 387 V N -0.468 119.342 119.914 -0.173 0.000 3.406 387 V HA 0.531 4.650 4.120 -0.001 0.000 0.305 387 V C 1.770 177.833 176.094 -0.052 0.000 1.136 387 V CA 0.314 62.564 62.300 -0.083 0.000 1.011 387 V CB 1.253 33.060 31.823 -0.026 0.000 1.221 387 V HN 1.131 nan 8.190 nan 0.000 0.454 388 G N -0.428 108.358 108.800 -0.024 0.000 2.464 388 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.217 388 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.217 388 G C 1.156 176.067 174.900 0.019 0.000 1.138 388 G CA -0.017 45.079 45.100 -0.006 0.000 0.793 388 G HN 0.576 nan 8.290 nan 0.000 0.539 389 R N 0.901 121.420 120.500 0.031 0.000 2.363 389 R HA 0.214 4.554 4.340 -0.001 0.000 0.236 389 R C 0.085 176.435 176.300 0.083 0.000 0.966 389 R CA -0.176 55.955 56.100 0.052 0.000 1.100 389 R CB 0.195 30.527 30.300 0.054 0.000 1.125 389 R HN 0.133 nan 8.270 nan 0.000 0.514 390 S N 0.361 116.118 115.700 0.095 0.000 2.584 390 S HA 0.219 4.688 4.470 -0.001 0.000 0.273 390 S C 0.070 174.767 174.600 0.160 0.000 1.311 390 S CA -0.281 58.020 58.200 0.168 0.000 1.034 390 S CB 1.710 65.038 63.200 0.213 0.000 0.939 390 S HN 0.060 nan 8.310 nan 0.000 0.513 391 S N 2.315 118.120 115.700 0.175 0.000 2.437 391 S HA 0.517 4.987 4.470 -0.001 0.000 0.305 391 S C -0.920 173.625 174.600 -0.091 0.000 1.109 391 S CA -0.550 57.611 58.200 -0.066 0.000 1.099 391 S CB 0.478 63.566 63.200 -0.186 0.000 1.004 391 S HN 0.556 nan 8.310 nan 0.000 0.475 392 F N 4.042 123.745 119.950 -0.410 0.000 2.427 392 F HA 0.562 5.088 4.527 -0.001 0.000 0.346 392 F C -1.486 173.998 175.800 -0.526 0.000 1.120 392 F CA -1.461 56.292 58.000 -0.410 0.000 1.033 392 F CB 0.446 39.202 39.000 -0.407 0.000 1.126 392 F HN 0.520 nan 8.300 nan 0.000 0.462 393 Y N 5.531 125.536 120.300 -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 -0.858 56.961 58.100 -0.468 0.000 1.167 393 Y CB 1.408 39.675 38.460 -0.321 0.000 1.151 393 Y HN 0.715 nan 8.280 nan 0.000 0.470 394 C N 5.782 124.811 119.300 -0.452 0.000 2.307 394 C HA 0.402 4.862 4.460 -0.001 0.000 0.340 394 C C 0.993 176.050 174.990 0.111 0.000 1.275 394 C CA -0.576 58.222 59.018 -0.367 0.000 1.811 394 C CB -0.802 26.667 27.740 -0.451 0.000 2.372 394 C HN 0.981 nan 8.230 nan 0.000 0.531 395 L N 4.406 125.754 121.223 0.209 0.000 2.554 395 L HA 0.150 4.490 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 1.256 56.083 54.840 -0.023 0.000 0.863 395 L CB -0.437 41.166 42.059 -0.761 0.000 0.985 395 L HN 0.690 nan 8.230 nan 0.000 0.451 396 E N -1.549 118.852 120.200 0.335 0.000 2.435 396 E HA -0.142 4.207 4.350 -0.001 0.000 0.195 396 E C 1.155 177.869 176.600 0.189 0.000 1.029 396 E CA 0.500 57.096 56.400 0.327 0.000 0.865 396 E CB -0.094 29.811 29.700 0.341 0.000 0.833 396 E HN 0.544 nan 8.360 nan 0.000 0.510 397 Y N -0.136 120.157 120.300 -0.011 0.000 2.495 397 Y HA 0.120 4.670 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 -0.321 57.676 58.100 -0.172 0.000 1.266 397 Y CB -0.004 38.321 38.460 -0.225 0.000 1.101 397 Y HN -0.229 nan 8.280 nan 0.000 0.517 398 F N 1.003 120.705 119.950 -0.415 0.000 2.495 398 F HA 0.433 4.960 4.527 -0.001 0.000 0.327 398 F C -2.170 173.286 175.800 -0.572 0.000 1.103 398 F CA -3.138 54.471 58.000 -0.650 0.000 0.949 398 F CB 0.901 39.168 39.000 -1.221 0.000 1.142 398 F HN -0.058 nan 8.300 nan 0.000 0.457 399 P HA 0.161 nan 4.420 nan 0.000 0.266 399 P C -1.053 176.179 177.300 -0.113 0.000 1.215 399 P CA -0.051 62.955 63.100 -0.156 0.000 0.763 399 P CB 0.568 32.200 31.700 -0.113 0.000 0.806 400 S N 1.697 117.393 115.700 -0.007 0.000 2.548 400 S HA 0.396 4.866 4.470 -0.001 0.000 0.286 400 S C -0.828 173.876 174.600 0.172 0.000 1.098 400 S CA -1.037 57.248 58.200 0.142 0.000 0.930 400 S CB 1.618 64.976 63.200 0.263 0.000 1.070 400 S HN 0.440 nan 8.310 nan 0.000 0.480 401 Q N 1.879 121.812 119.800 0.223 0.000 2.288 401 Q HA 0.390 4.730 4.340 -0.001 0.000 0.258 401 Q C -0.955 175.151 176.000 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 4.484 124.167 119.600 0.138 0.000 2.209 402 M HA 0.330 4.810 4.480 -0.001 0.000 0.355 402 M C -1.219 175.148 176.300 0.111 0.000 1.171 402 M CA -0.716 54.650 55.300 0.111 0.000 1.069 402 M CB 0.950 33.599 32.600 0.081 0.000 1.622 402 M HN 0.450 nan 8.290 nan 0.000 0.459 403 L N 2.841 124.129 121.223 0.107 0.000 2.362 403 L HA 0.591 4.931 4.340 -0.001 0.000 0.275 403 L C -0.138 176.785 176.870 0.088 0.000 0.998 403 L CA -0.336 54.574 54.840 0.116 0.000 0.820 403 L CB 1.704 43.855 42.059 0.154 0.000 1.270 403 L HN 0.598 nan 8.230 nan 0.000 0.415 404 R N -0.034 120.512 120.500 0.076 0.000 2.602 404 R HA 0.656 4.996 4.340 -0.001 0.000 0.237 404 R C -0.470 175.867 176.300 0.061 0.000 1.219 404 R CA -0.543 55.590 56.100 0.055 0.000 1.121 404 R CB 0.957 31.283 30.300 0.042 0.000 1.408 404 R HN 0.621 nan 8.270 nan 0.000 0.559 405 T N 0.627 115.205 114.554 0.040 0.000 2.817 405 T HA 0.339 4.688 4.350 -0.001 0.000 0.295 405 T C 0.808 175.537 174.700 0.048 0.000 0.958 405 T CA 0.982 63.105 62.100 0.038 0.000 1.157 405 T CB 0.634 69.509 68.868 0.012 0.000 0.898 405 T HN 0.772 nan 8.240 nan 0.000 0.536 406 G N 3.712 112.552 108.800 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 -0.679 44.463 45.100 0.069 0.000 0.637 406 G HN 0.600 nan 8.290 nan 0.000 0.505 407 N N 1.725 120.483 118.700 0.097 0.000 2.445 407 N HA 0.563 5.303 4.740 -0.001 0.000 0.264 407 N C 0.108 175.715 175.510 0.162 0.000 1.227 407 N CA 0.387 53.508 53.050 0.117 0.000 0.963 407 N CB 0.891 39.449 38.487 0.118 0.000 1.188 407 N HN 0.760 nan 8.380 nan 0.000 0.491 408 N N -0.671 118.137 118.700 0.182 0.000 2.934 408 N HA 0.384 5.124 4.740 -0.001 0.000 0.253 408 N C -1.878 173.805 175.510 0.289 0.000 1.466 408 N CA -0.561 52.635 53.050 0.243 0.000 0.858 408 N CB 1.296 39.911 38.487 0.213 0.000 1.459 408 N HN 0.366 nan 8.380 nan 0.000 0.532 409 F N 0.120 120.158 119.950 0.146 0.000 2.529 409 F HA 0.522 5.049 4.527 -0.001 0.000 0.320 409 F C -0.745 175.143 175.800 0.148 0.000 1.118 409 F CA -0.393 57.695 58.000 0.145 0.000 0.915 409 F CB 2.042 41.141 39.000 0.164 0.000 1.161 409 F HN 0.577 nan 8.300 nan 0.000 0.445 410 Q N 5.089 124.527 119.800 -0.602 0.000 2.377 410 Q HA 0.676 5.016 4.340 -0.001 0.000 0.271 410 Q C -2.048 173.716 176.000 -0.394 0.000 1.077 410 Q CA -0.643 54.953 55.803 -0.346 0.000 0.820 410 Q CB 2.131 30.750 28.738 -0.199 0.000 1.347 410 Q HN 0.691 nan 8.270 nan 0.000 0.444 411 F N 0.659 120.471 119.950 -0.230 0.000 2.669 411 F HA 0.582 5.108 4.527 -0.001 0.000 0.315 411 F C -1.596 174.203 175.800 -0.002 0.000 1.109 411 F CA -0.239 57.700 58.000 -0.103 0.000 1.028 411 F CB 1.493 40.534 39.000 0.068 0.000 1.287 411 F HN 0.505 nan 8.300 nan 0.000 0.452 412 S N 4.600 119.807 115.700 -0.822 0.000 2.536 412 S HA 0.608 5.078 4.470 -0.001 0.000 0.287 412 S C -2.043 172.081 174.600 -0.793 0.000 1.101 412 S CA -0.624 57.197 58.200 -0.630 0.000 0.950 412 S CB 1.990 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 0.987 120.897 120.300 -0.649 0.000 2.524 413 Y HA 0.613 5.163 4.550 -0.001 0.000 0.347 413 Y C -1.106 174.552 175.900 -0.402 0.000 1.005 413 Y CA -0.388 57.380 58.100 -0.554 0.000 1.025 413 Y CB 1.785 39.921 38.460 -0.540 0.000 1.275 413 Y HN 0.550 nan 8.280 nan 0.000 0.460 414 T N 6.530 120.370 114.554 -1.190 0.000 2.815 414 T HA 0.409 4.759 4.350 -0.001 0.000 0.289 414 T C -0.822 173.202 174.700 -1.127 0.000 1.000 414 T CA -0.403 61.191 62.100 -0.843 0.000 0.958 414 T CB 0.093 68.673 68.868 -0.479 0.000 0.944 414 T HN 0.411 nan 8.240 nan 0.000 0.442 415 F N 2.594 122.148 119.950 -0.659 0.000 2.490 415 F HA 0.228 4.754 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 0.572 39.423 39.000 -0.247 0.000 1.175 415 F HN 0.568 nan 8.300 nan 0.000 0.593 416 E N -0.153 120.046 120.200 -0.002 0.000 2.359 416 E HA 0.229 4.579 4.350 -0.001 0.000 0.255 416 E C -1.315 175.262 176.600 -0.039 0.000 1.191 416 E CA -0.964 55.414 56.400 -0.037 0.000 0.952 416 E CB 0.379 30.080 29.700 0.002 0.000 1.152 416 E HN 0.358 nan 8.360 nan 0.000 0.496 417 D N 0.636 121.007 120.400 -0.048 0.000 2.342 417 D HA 0.180 4.820 4.640 -0.001 0.000 0.260 417 D C -1.135 175.138 176.300 -0.046 0.000 1.278 417 D CA 0.201 54.164 54.000 -0.062 0.000 0.910 417 D CB 0.982 41.754 40.800 -0.047 0.000 1.079 417 D HN 0.218 nan 8.370 nan 0.000 0.496 418 V N 4.421 124.292 119.914 -0.071 0.000 2.577 418 V HA 0.445 4.565 4.120 -0.001 0.000 0.303 418 V C -2.454 173.634 176.094 -0.011 0.000 1.042 418 V CA -2.384 59.917 62.300 0.001 0.000 0.872 418 V CB 2.051 33.924 31.823 0.084 0.000 0.998 418 V HN 0.325 nan 8.190 nan 0.000 0.423 419 P HA 0.077 nan 4.420 nan 0.000 0.266 419 P C -0.524 176.869 177.300 0.155 0.000 1.186 419 P CA 0.331 63.479 63.100 0.080 0.000 0.767 419 P CB 0.102 31.856 31.700 0.090 0.000 0.820 420 F N 0.819 120.868 119.950 0.164 0.000 2.595 420 F HA 0.018 4.545 4.527 -0.001 0.000 0.359 420 F C 1.785 177.666 175.800 0.136 0.000 1.147 420 F CA 0.481 58.592 58.000 0.186 0.000 1.341 420 F CB -0.054 39.031 39.000 0.143 0.000 1.104 420 F HN 0.423 nan 8.300 nan 0.000 0.603 421 H N 0.888 120.030 119.070 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 0.005 0.000 1.178 421 H CA -0.437 55.524 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 0.471 nan 8.280 nan 0.000 0.605 422 S N 2.422 117.554 115.700 -0.946 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 -0.403 57.415 58.200 -0.637 0.000 1.067 422 S CB 0.305 62.967 63.200 -0.896 0.000 1.057 422 S HN 0.592 nan 8.310 nan 0.000 0.518 423 S N 2.956 118.667 115.700 0.019 0.000 2.602 423 S HA 0.256 4.726 4.470 -0.001 0.000 0.246 423 S C -0.182 174.496 174.600 0.131 0.000 1.009 423 S CA -0.553 57.731 58.200 0.142 0.000 1.052 423 S CB -0.508 62.863 63.200 0.285 0.000 0.778 423 S HN 0.806 nan 8.310 nan 0.000 0.455 424 Y N -1.707 118.471 120.300 -0.203 0.000 2.638 424 Y HA 0.891 5.441 4.550 -0.001 0.000 0.339 424 Y C -0.815 174.878 175.900 -0.345 0.000 1.084 424 Y CA -1.887 56.021 58.100 -0.320 0.000 1.068 424 Y CB 0.734 38.801 38.460 -0.656 0.000 1.294 424 Y HN -0.057 nan 8.280 nan 0.000 0.480 425 A N 1.091 123.757 122.820 -0.256 0.000 2.414 425 A HA 0.540 4.859 4.320 -0.001 0.000 0.306 425 A C -1.504 175.961 177.584 -0.200 0.000 1.054 425 A CA -0.889 50.965 52.037 -0.304 0.000 0.724 425 A CB 0.682 19.589 19.000 -0.155 0.000 1.267 425 A HN 0.844 nan 8.150 nan 0.000 0.418 426 H N 1.802 120.849 119.070 -0.038 0.000 2.764 426 H HA 0.124 4.679 4.556 -0.001 0.000 0.341 426 H C 1.361 176.684 175.328 -0.008 0.000 1.072 426 H CA 0.999 57.047 56.048 -0.001 0.000 1.444 426 H CB 1.349 31.105 29.762 -0.010 0.000 1.458 426 H HN 0.783 nan 8.280 nan 0.000 0.572 427 S N 2.205 117.975 115.700 0.118 0.000 2.558 427 S HA 0.039 4.509 4.470 -0.001 0.000 0.217 427 S C 0.581 175.223 174.600 0.069 0.000 0.975 427 S CA -0.088 58.158 58.200 0.076 0.000 0.912 427 S CB 0.488 63.728 63.200 0.067 0.000 0.776 427 S HN 0.595 nan 8.310 nan 0.000 0.526 428 Q N 0.384 120.231 119.800 0.077 0.000 2.486 428 Q HA 0.661 5.001 4.340 -0.001 0.000 0.274 428 Q C -1.132 174.885 176.000 0.028 0.000 1.076 428 Q CA -0.803 55.026 55.803 0.042 0.000 0.872 428 Q CB 1.905 30.659 28.738 0.026 0.000 1.383 428 Q HN 0.264 nan 8.270 nan 0.000 0.478 429 S N -0.374 115.331 115.700 0.008 0.000 2.526 429 S HA 0.326 4.795 4.470 -0.001 0.000 0.293 429 S C 0.686 175.280 174.600 -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 64.079 63.200 0.003 0.000 1.048 429 S HN 0.717 nan 8.310 nan 0.000 0.483 430 L N 2.300 123.514 121.223 -0.015 0.000 2.137 430 L HA -0.167 4.173 4.340 -0.001 0.000 0.213 430 L C 1.923 178.811 176.870 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 0.025 0.000 0.893 430 L HN 0.819 nan 8.230 nan 0.000 0.434 431 D N -1.627 118.776 120.400 0.005 0.000 2.355 431 D HA -0.081 4.558 4.640 -0.001 0.000 0.206 431 D C 0.880 177.173 176.300 -0.011 0.000 1.010 431 D CA 0.133 54.129 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 1.171 121.669 120.500 -0.004 0.000 4.017 432 R HA 0.235 4.575 4.340 -0.001 0.000 0.272 432 R C 0.554 176.858 176.300 0.006 0.000 1.516 432 R CA -0.272 55.826 56.100 -0.003 0.000 1.519 432 R CB 0.447 30.747 30.300 -0.000 0.000 1.422 432 R HN 0.199 nan 8.270 nan 0.000 0.719 433 L N 0.484 121.713 121.223 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 55.705 54.840 0.023 0.000 0.873 433 L CB 0.140 42.231 42.059 0.053 0.000 1.139 433 L HN 0.196 nan 8.230 nan 0.000 0.490 434 M N -0.877 118.723 119.600 -0.001 0.000 2.116 434 M HA 0.270 4.749 4.480 -0.001 0.000 0.235 434 M C 0.418 176.713 176.300 -0.008 0.000 1.193 434 M CA -0.372 54.921 55.300 -0.011 0.000 0.959 434 M CB -0.806 31.773 32.600 -0.036 0.000 1.313 434 M HN -0.141 nan 8.290 nan 0.000 0.530 435 N N 0.765 119.457 118.700 -0.013 0.000 2.408 435 N HA 0.301 5.041 4.740 -0.001 0.000 0.257 435 N C -2.150 173.353 175.510 -0.012 0.000 1.064 435 N CA -1.703 51.342 53.050 -0.008 0.000 0.952 435 N CB 0.706 39.189 38.487 -0.006 0.000 1.093 435 N HN 0.345 nan 8.380 nan 0.000 0.490 436 P HA -0.020 nan 4.420 nan 0.000 0.225 436 P C 0.814 178.110 177.300 -0.007 0.000 1.148 436 P CA 0.642 63.737 63.100 -0.008 0.000 0.779 436 P CB 0.488 32.186 31.700 -0.003 0.000 0.780 437 L N -2.123 119.097 121.223 -0.005 0.000 2.470 437 L HA 0.141 4.480 4.340 -0.001 0.000 0.219 437 L C 1.022 177.890 176.870 -0.003 0.000 1.071 437 L CA 0.685 55.523 54.840 -0.003 0.000 0.850 437 L CB -0.285 41.773 42.059 -0.001 0.000 1.040 437 L HN -0.126 nan 8.230 nan 0.000 0.475 438 I N -0.683 119.883 120.570 -0.006 0.000 2.607 438 I HA 0.308 4.478 4.170 -0.001 0.000 0.305 438 I C -0.528 175.578 176.117 -0.019 0.000 0.995 438 I CA -0.838 60.459 61.300 -0.006 0.000 1.148 438 I CB 1.291 39.291 38.000 0.001 0.000 1.323 438 I HN -0.062 nan 8.210 nan 0.000 0.461 439 D N 2.938 123.327 120.400 -0.019 0.000 2.253 439 D HA 0.371 5.010 4.640 -0.001 0.000 0.249 439 D C 0.188 176.449 176.300 -0.064 0.000 1.049 439 D CA -0.347 53.629 54.000 -0.040 0.000 0.929 439 D CB 0.851 41.630 40.800 -0.036 0.000 1.176 439 D HN 0.351 nan 8.370 nan 0.000 0.437 440 Q N 0.134 119.863 119.800 -0.118 0.000 2.500 440 Q HA 0.164 4.504 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 -0.214 55.458 55.803 -0.217 0.000 0.996 440 Q CB 0.463 29.042 28.738 -0.266 0.000 1.239 440 Q HN 0.692 nan 8.270 nan 0.000 0.578 441 Y N -2.015 118.250 120.300 -0.058 0.000 2.531 441 Y HA 0.433 4.983 4.550 -0.001 0.000 0.249 441 Y C -0.185 175.707 175.900 -0.014 0.000 1.168 441 Y CA -0.510 57.568 58.100 -0.037 0.000 1.226 441 Y CB 0.379 38.847 38.460 0.013 0.000 1.177 441 Y HN 0.173 nan 8.280 nan 0.000 0.527 442 L N 0.980 122.157 121.223 -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 53.825 54.840 0.049 0.000 0.803 442 L CB 1.089 43.127 42.059 -0.036 0.000 1.207 442 L HN 0.084 nan 8.230 nan 0.000 0.445 443 Y N 0.398 120.740 120.300 0.070 0.000 2.468 443 Y HA 0.468 5.018 4.550 -0.001 0.000 0.342 443 Y C -0.411 175.576 175.900 0.145 0.000 1.021 443 Y CA -0.619 57.514 58.100 0.054 0.000 1.079 443 Y CB 1.851 40.292 38.460 -0.032 0.000 1.226 443 Y HN 0.393 nan 8.280 nan 0.000 0.460 444 Y N 0.437 120.887 120.300 0.248 0.000 2.602 444 Y HA 0.728 5.278 4.550 -0.001 0.000 0.342 444 Y C -1.630 174.481 175.900 0.351 0.000 1.029 444 Y CA -1.868 56.371 58.100 0.232 0.000 1.080 444 Y CB 1.149 39.671 38.460 0.103 0.000 1.284 444 Y HN 0.546 nan 8.280 nan 0.000 0.485 445 L N 3.251 124.726 121.223 0.419 0.000 2.257 445 L HA 0.411 4.751 4.340 -0.001 0.000 0.290 445 L C -0.036 176.914 176.870 0.132 0.000 1.044 445 L CA -0.079 54.845 54.840 0.140 0.000 0.810 445 L CB 0.588 42.701 42.059 0.090 0.000 1.193 445 L HN 1.045 nan 8.230 nan 0.000 0.425 446 N N 2.575 121.278 118.700 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 1.052 121.491 120.500 -0.102 0.000 2.476 447 R HA 0.257 4.597 4.340 -0.001 0.000 0.305 447 R C 0.075 176.290 176.300 -0.141 0.000 0.965 447 R CA -0.318 55.721 56.100 -0.101 0.000 0.867 447 R CB 1.488 31.728 30.300 -0.100 0.000 1.176 447 R HN 0.236 nan 8.270 nan 0.000 0.447 448 T N -1.542 112.958 114.554 -0.091 0.000 3.042 448 T HA -0.063 4.286 4.350 -0.001 0.000 0.245 448 T C 1.303 175.962 174.700 -0.068 0.000 1.029 448 T CA 0.493 62.541 62.100 -0.086 0.000 1.120 448 T CB 0.359 69.196 68.868 -0.051 0.000 0.917 448 T HN 0.590 nan 8.240 nan 0.000 0.467 449 Q N 1.066 120.835 119.800 -0.052 0.000 2.577 449 Q HA 0.360 4.700 4.340 -0.001 0.000 0.242 449 Q C 1.511 177.488 176.000 -0.038 0.000 0.818 449 Q CA -0.014 55.765 55.803 -0.040 0.000 0.962 449 Q CB -0.491 28.230 28.738 -0.028 0.000 1.272 449 Q HN 0.320 nan 8.270 nan 0.000 0.593 450 G N 1.740 110.520 108.800 -0.034 0.000 2.151 450 G HA2 0.272 4.232 3.960 -0.001 0.000 0.269 450 G HA3 0.272 4.232 3.960 -0.001 0.000 0.269 450 G C -0.421 174.460 174.900 -0.032 0.000 1.069 450 G CA 0.854 45.938 45.100 -0.028 0.000 1.080 450 G HN 0.369 nan 8.290 nan 0.000 0.405 451 T N 0.735 115.273 114.554 -0.026 0.000 2.551 451 T HA 0.332 4.682 4.350 -0.001 0.000 0.249 451 T C 0.670 175.359 174.700 -0.017 0.000 0.851 451 T CA -0.577 61.507 62.100 -0.025 0.000 1.149 451 T CB 0.609 69.461 68.868 -0.027 0.000 1.456 451 T HN 0.184 nan 8.240 nan 0.000 0.514 452 T N 2.856 117.401 114.554 -0.015 0.000 3.826 452 T HA 0.122 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 -0.649 68.214 68.868 -0.009 0.000 1.153 452 T HN 0.531 nan 8.240 nan 0.000 0.854 453 S N 2.619 118.313 115.700 -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 -0.158 58.036 58.200 -0.009 0.000 0.955 453 S CB -0.643 62.551 63.200 -0.009 0.000 1.611 453 S HN 0.812 nan 8.310 nan 0.000 0.483 454 G N 2.014 110.810 108.800 -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 1.581 116.132 114.554 -0.006 0.000 2.824 455 T HA 0.475 4.825 4.350 -0.001 0.000 0.280 455 T C 0.286 174.983 174.700 -0.006 0.000 0.995 455 T CA 0.556 62.653 62.100 -0.005 0.000 1.009 455 T CB 1.253 70.119 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 1.680 120.375 118.700 -0.009 0.000 2.851 457 N HA 0.126 4.866 4.740 -0.001 0.000 0.248 457 N C 1.424 176.927 175.510 -0.012 0.000 1.221 457 N CA -0.459 52.585 53.050 -0.011 0.000 0.847 457 N CB 1.287 39.767 38.487 -0.012 0.000 1.150 457 N HN 0.534 nan 8.380 nan 0.000 0.507 458 Q N 0.275 120.068 119.800 -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 0.842 56.637 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 -1.045 114.643 115.700 -0.020 0.000 2.596 459 S HA 0.787 5.256 4.470 -0.001 0.000 0.270 459 S C -1.018 173.562 174.600 -0.032 0.000 1.155 459 S CA -1.006 57.177 58.200 -0.027 0.000 0.827 459 S CB 3.082 66.267 63.200 -0.025 0.000 1.130 459 S HN 0.422 nan 8.310 nan 0.000 0.467 460 R N 0.216 120.687 120.500 -0.048 0.000 2.687 460 R HA 0.414 4.754 4.340 -0.001 0.000 0.265 460 R C -2.097 174.140 176.300 -0.105 0.000 1.048 460 R CA -0.769 55.296 56.100 -0.058 0.000 0.884 460 R CB 1.008 31.278 30.300 -0.050 0.000 1.258 460 R HN 0.781 nan 8.270 nan 0.000 0.469 461 L N 5.140 126.290 121.223 -0.123 0.000 2.259 461 L HA 0.450 4.790 4.340 -0.001 0.000 0.288 461 L C -0.675 175.946 176.870 -0.416 0.000 1.051 461 L CA -0.432 54.250 54.840 -0.264 0.000 0.824 461 L CB 0.848 42.814 42.059 -0.154 0.000 1.206 461 L HN 0.345 nan 8.230 nan 0.000 0.429 462 L N 3.664 124.557 121.223 -0.549 0.000 2.365 462 L HA 0.591 4.930 4.340 -0.001 0.000 0.273 462 L C -0.922 175.561 176.870 -0.646 0.000 1.000 462 L CA -0.459 54.116 54.840 -0.441 0.000 0.819 462 L CB 1.969 43.909 42.059 -0.199 0.000 1.284 462 L HN 0.303 nan 8.230 nan 0.000 0.418 463 F N 0.295 120.209 119.950 -0.060 0.000 2.520 463 F HA 0.518 5.045 4.527 -0.001 0.000 0.322 463 F C 0.315 176.066 175.800 -0.081 0.000 1.103 463 F CA -0.527 57.424 58.000 -0.083 0.000 0.926 463 F CB 2.232 41.207 39.000 -0.042 0.000 1.154 463 F HN 0.265 nan 8.300 nan 0.000 0.453 464 S N 1.564 117.156 115.700 -0.179 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 -0.439 0.000 1.087 464 S CA -0.802 57.228 58.200 -0.284 0.000 1.042 464 S CB 1.666 64.618 63.200 -0.413 0.000 1.043 464 S HN 0.657 nan 8.310 nan 0.000 0.489 465 Q N 2.385 121.966 119.800 -0.364 0.000 2.286 465 Q HA 0.529 4.869 4.340 -0.001 0.000 0.257 465 Q C -0.179 175.700 176.000 -0.202 0.000 0.941 465 Q CA -0.707 54.651 55.803 -0.742 0.000 0.912 465 Q CB 0.788 28.967 28.738 -0.932 0.000 1.192 465 Q HN 0.759 nan 8.270 nan 0.000 0.410 466 A N 3.164 125.959 122.820 -0.041 0.000 2.565 466 A HA 0.460 4.780 4.320 -0.001 0.000 0.237 466 A C 0.313 177.899 177.584 0.002 0.000 1.053 466 A CA 0.763 52.871 52.037 0.119 0.000 0.755 466 A CB 0.040 19.049 19.000 0.015 0.000 0.980 466 A HN 0.863 nan 8.150 nan 0.000 0.506 467 G N 1.147 109.965 108.800 0.029 0.000 2.642 467 G HA2 0.583 4.542 3.960 -0.001 0.000 0.293 467 G HA3 0.583 4.542 3.960 -0.001 0.000 0.293 467 G C -2.374 172.519 174.900 -0.011 0.000 1.341 467 G CA -1.168 43.931 45.100 -0.001 0.000 0.916 467 G HN 0.302 nan 8.290 nan 0.000 0.474 468 P HA -0.108 nan 4.420 nan 0.000 0.221 468 P C 1.577 178.870 177.300 -0.012 0.000 1.145 468 P CA 1.118 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 -0.247 119.551 119.800 -0.002 0.000 1.994 469 Q HA -0.044 4.295 4.340 -0.001 0.000 0.198 469 Q C 1.331 177.331 176.000 -0.001 0.000 0.976 469 Q CA 1.558 57.363 55.803 0.003 0.000 0.828 469 Q CB -0.774 27.974 28.738 0.015 0.000 0.894 469 Q HN 0.295 nan 8.270 nan 0.000 0.432 470 S N 0.337 116.043 115.700 0.009 0.000 3.864 470 S HA 0.130 4.599 4.470 -0.001 0.000 0.202 470 S C 0.993 175.544 174.600 -0.082 0.000 1.402 470 S CA -0.205 57.984 58.200 -0.019 0.000 1.072 470 S CB -0.176 63.052 63.200 0.046 0.000 1.383 470 S HN 0.246 nan 8.310 nan 0.000 0.458 471 M N 2.111 121.673 119.600 -0.062 0.000 2.319 471 M HA -0.061 4.419 4.480 -0.001 0.000 0.265 471 M C 1.636 177.882 176.300 -0.090 0.000 1.068 471 M CA 1.350 56.610 55.300 -0.067 0.000 1.118 471 M CB -0.040 32.535 32.600 -0.043 0.000 1.395 471 M HN 0.684 nan 8.290 nan 0.000 0.435 472 S N -1.141 114.499 115.700 -0.101 0.000 2.574 472 S HA 0.260 4.730 4.470 -0.001 0.000 0.242 472 S C 0.839 175.342 174.600 -0.162 0.000 0.982 472 S CA -0.544 57.591 58.200 -0.109 0.000 0.977 472 S CB -0.159 62.992 63.200 -0.081 0.000 0.814 472 S HN 0.545 nan 8.310 nan 0.000 0.464 473 L N -0.229 120.846 121.223 -0.247 0.000 2.840 473 L HA 0.314 4.654 4.340 -0.001 0.000 0.249 473 L C 0.633 177.219 176.870 -0.474 0.000 1.119 473 L CA -0.231 54.356 54.840 -0.422 0.000 0.930 473 L CB 0.095 41.748 42.059 -0.677 0.000 1.295 473 L HN 0.264 nan 8.230 nan 0.000 0.534 474 Q N 1.353 120.964 119.800 -0.315 0.000 2.428 474 Q HA 0.277 4.616 4.340 -0.001 0.000 0.276 474 Q C 0.509 176.410 176.000 -0.164 0.000 1.059 474 Q CA -0.092 55.580 55.803 -0.218 0.000 0.923 474 Q CB 0.836 29.486 28.738 -0.146 0.000 1.283 474 Q HN 0.274 nan 8.270 nan 0.000 0.447 475 A N 2.079 124.826 122.820 -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 -0.090 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 55.411 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 -0.453 118.025 118.700 -0.371 0.000 2.332 477 N HA 0.174 4.914 4.740 -0.001 0.000 0.190 477 N C -0.969 173.993 175.510 -0.913 0.000 1.117 477 N CA 0.344 52.925 53.050 -0.783 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 0.165 121.468 121.300 0.004 0.000 3.029 478 W HA 0.590 5.250 4.660 -0.001 0.000 0.339 478 W C -0.609 175.927 176.519 0.027 0.000 1.198 478 W CA -0.816 56.540 57.345 0.019 0.000 1.148 478 W CB 0.831 30.296 29.460 0.007 0.000 1.451 478 W HN -0.355 nan 8.180 nan 0.000 0.564 479 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 -2.104 174.893 176.870 0.213 0.000 1.012 479 L CA -2.805 52.165 54.840 0.217 0.000 0.815 479 L CB 0.582 42.772 42.059 0.218 0.000 1.295 479 L HN 0.049 nan 8.230 nan 0.000 0.438 480 P HA 0.224 nan 4.420 nan 0.000 0.275 480 P C -0.071 177.376 177.300 0.245 0.000 1.266 480 P CA -0.345 62.850 63.100 0.158 0.000 0.793 480 P CB 0.443 32.179 31.700 0.060 0.000 1.074 481 G N 0.589 109.534 108.800 0.241 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 -2.297 172.651 174.900 0.080 0.000 1.219 481 G CA -0.930 44.275 45.100 0.175 0.000 0.901 481 G HN 0.363 nan 8.290 nan 0.000 0.548 482 P HA 0.263 nan 4.420 nan 0.000 0.274 482 P C -0.041 177.200 177.300 -0.099 0.000 1.260 482 P CA -0.114 62.864 63.100 -0.204 0.000 0.793 482 P CB 0.830 32.316 31.700 -0.358 0.000 1.048 483 C N -0.828 118.401 119.300 -0.118 0.000 3.239 483 C HA 0.694 5.153 4.460 -0.001 0.000 0.317 483 C C -1.679 173.345 174.990 0.056 0.000 1.310 483 C CA -0.731 58.289 59.018 0.004 0.000 1.371 483 C CB 0.693 28.500 27.740 0.111 0.000 1.714 483 C HN 0.617 nan 8.230 nan 0.000 0.473 484 Y N 1.930 122.201 120.300 -0.049 0.000 2.484 484 Y HA 0.484 5.033 4.550 -0.001 0.000 0.348 484 Y C 0.417 176.311 175.900 -0.011 0.000 1.103 484 Y CA -0.313 57.764 58.100 -0.038 0.000 1.317 484 Y CB 0.434 38.877 38.460 -0.028 0.000 1.096 484 Y HN 1.034 nan 8.280 nan 0.000 0.568 485 R N 3.689 124.102 120.500 -0.146 0.000 2.500 485 R HA -0.001 4.339 4.340 -0.001 0.000 0.281 485 R C -0.381 175.873 176.300 -0.077 0.000 0.953 485 R CA 0.785 56.829 56.100 -0.093 0.000 1.108 485 R CB 0.503 30.731 30.300 -0.120 0.000 0.901 485 R HN 0.614 nan 8.270 nan 0.000 0.410 486 Q N 2.157 121.937 119.800 -0.032 0.000 2.241 486 Q HA 0.134 4.473 4.340 -0.001 0.000 0.262 486 Q C -0.709 175.250 176.000 -0.068 0.000 1.014 486 Q CA -0.856 54.914 55.803 -0.055 0.000 0.885 486 Q CB 1.622 30.314 28.738 -0.076 0.000 1.311 486 Q HN 0.504 nan 8.270 nan 0.000 0.461 487 Q N 1.137 120.893 119.800 -0.074 0.000 2.340 487 Q HA 0.152 4.491 4.340 -0.001 0.000 0.249 487 Q C -0.817 175.149 176.000 -0.058 0.000 0.957 487 Q CA 0.160 55.945 55.803 -0.031 0.000 0.882 487 Q CB 0.764 29.541 28.738 0.065 0.000 1.235 487 Q HN 0.381 nan 8.270 nan 0.000 0.439 488 R N 3.005 123.479 120.500 -0.043 0.000 2.308 488 R HA 0.446 4.785 4.340 -0.001 0.000 0.305 488 R C -1.187 175.096 176.300 -0.029 0.000 1.053 488 R CA -0.449 55.617 56.100 -0.058 0.000 0.957 488 R CB 0.357 30.600 30.300 -0.095 0.000 1.022 488 R HN 0.526 nan 8.270 nan 0.000 0.461 489 L N 1.778 122.890 121.223 -0.185 0.000 2.341 489 L HA 0.433 4.773 4.340 -0.001 0.000 0.267 489 L C -0.250 176.514 176.870 -0.176 0.000 1.009 489 L CA -0.183 54.486 54.840 -0.285 0.000 0.819 489 L CB 2.020 43.579 42.059 -0.834 0.000 1.323 489 L HN 0.574 nan 8.230 nan 0.000 0.425 490 S N 0.103 115.769 115.700 -0.057 0.000 2.537 490 S HA 0.455 4.925 4.470 -0.001 0.000 0.301 490 S C 0.744 175.343 174.600 -0.002 0.000 1.092 490 S CA -0.570 57.521 58.200 -0.182 0.000 1.048 490 S CB 1.106 64.140 63.200 -0.278 0.000 1.053 490 S HN 0.641 nan 8.310 nan 0.000 0.501 491 K N 1.113 121.518 120.400 0.007 0.000 2.296 491 K HA 0.031 4.351 4.320 -0.001 0.000 0.200 491 K C 0.196 176.803 176.600 0.012 0.000 1.048 491 K CA 0.732 57.071 56.287 0.086 0.000 0.966 491 K CB -0.204 32.316 32.500 0.033 0.000 0.754 491 K HN 0.541 nan 8.250 nan 0.000 0.466 492 T N 1.752 116.277 114.554 -0.048 0.000 2.727 492 T HA 0.215 4.565 4.350 -0.001 0.000 0.295 492 T C 0.496 175.195 174.700 -0.000 0.000 0.915 492 T CA -0.365 61.715 62.100 -0.033 0.000 1.066 492 T CB 1.296 70.128 68.868 -0.060 0.000 0.891 492 T HN 0.118 nan 8.240 nan 0.000 0.516 493 A N 3.938 126.769 122.820 0.018 0.000 2.190 493 A HA 0.068 4.388 4.320 -0.001 0.000 0.226 493 A C 1.517 179.123 177.584 0.036 0.000 1.402 493 A CA -0.085 51.974 52.037 0.037 0.000 1.288 493 A CB -0.800 18.221 19.000 0.035 0.000 0.833 493 A HN 0.956 nan 8.150 nan 0.000 0.564 494 N N -2.555 116.163 118.700 0.030 0.000 1.952 494 N HA -0.033 4.706 4.740 -0.001 0.000 0.228 494 N C -0.517 175.015 175.510 0.036 0.000 1.398 494 N CA 0.180 53.248 53.050 0.031 0.000 0.817 494 N CB 0.111 38.610 38.487 0.019 0.000 1.101 494 N HN 0.141 nan 8.380 nan 0.000 0.498 495 D N 0.852 121.277 120.400 0.041 0.000 2.323 495 D HA 0.092 4.732 4.640 -0.001 0.000 0.209 495 D C 0.096 176.445 176.300 0.083 0.000 0.973 495 D CA 0.537 54.577 54.000 0.065 0.000 0.874 495 D CB 0.051 40.898 40.800 0.078 0.000 0.930 495 D HN 0.250 nan 8.370 nan 0.000 0.521 496 N N 1.058 119.810 118.700 0.086 0.000 2.463 496 N HA 0.033 4.773 4.740 -0.001 0.000 0.270 496 N C 0.069 175.615 175.510 0.060 0.000 1.205 496 N CA -0.332 52.781 53.050 0.106 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 4.640 4.740 -0.001 0.000 0.262 497 N C -0.165 175.365 175.510 0.033 0.000 1.202 497 N CA 0.279 53.291 53.050 -0.063 0.000 0.926 497 N CB 0.140 38.470 38.487 -0.261 0.000 1.078 497 N HN 0.472 nan 8.380 nan 0.000 0.454 498 N N 1.638 120.352 118.700 0.024 0.000 3.210 498 N HA -0.023 4.717 4.740 -0.001 0.000 0.314 498 N C -0.846 174.705 175.510 0.068 0.000 1.291 498 N CA -0.277 52.806 53.050 0.054 0.000 1.202 498 N CB -0.031 38.476 38.487 0.032 0.000 1.475 498 N HN 0.475 nan 8.380 nan 0.000 0.554 499 S N 0.036 115.810 115.700 0.124 0.000 2.661 499 S HA 0.294 4.764 4.470 -0.001 0.000 0.285 499 S C -0.772 174.022 174.600 0.324 0.000 1.138 499 S CA -1.076 57.222 58.200 0.164 0.000 0.855 499 S CB 1.603 64.859 63.200 0.093 0.000 1.136 499 S HN 0.240 nan 8.310 nan 0.000 0.484 500 N N 0.742 119.598 118.700 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 -1.036 52.141 53.050 0.212 0.000 0.920 500 N CB -0.287 38.266 38.487 0.110 0.000 1.148 500 N HN 0.678 nan 8.380 nan 0.000 0.509 501 F N 1.159 121.151 119.950 0.069 0.000 2.791 501 F HA 0.573 5.100 4.527 -0.001 0.000 0.308 501 F C -1.841 174.022 175.800 0.105 0.000 1.138 501 F CA -1.608 56.438 58.000 0.077 0.000 1.294 501 F CB 0.666 39.689 39.000 0.039 0.000 0.975 501 F HN 0.191 nan 8.300 nan 0.000 0.512 502 P HA -0.076 nan 4.420 nan 0.000 0.242 502 P C 0.778 178.185 177.300 0.178 0.000 1.197 502 P CA 1.108 64.161 63.100 -0.077 0.000 0.765 502 P CB -0.052 31.614 31.700 -0.056 0.000 0.936 503 W N -0.284 121.021 121.300 0.009 0.000 3.792 503 W HA 0.021 4.680 4.660 -0.001 0.000 0.217 503 W C 0.909 177.463 176.519 0.057 0.000 1.098 503 W CA 0.845 58.205 57.345 0.025 0.000 1.657 503 W CB -0.117 29.343 29.460 -0.000 0.000 0.773 503 W HN -0.099 nan 8.180 nan 0.000 0.836 504 T N -0.482 114.131 114.554 0.099 0.000 3.055 504 T HA 0.223 4.573 4.350 -0.001 0.000 0.265 504 T C 1.353 176.049 174.700 -0.007 0.000 1.111 504 T CA 1.129 63.226 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 0.234 123.108 122.820 0.090 0.000 2.545 505 A HA 0.835 5.154 4.320 -0.001 0.000 0.263 505 A C 0.997 178.647 177.584 0.108 0.000 1.202 505 A CA -0.074 52.037 52.037 0.124 0.000 0.959 505 A CB 0.097 19.263 19.000 0.276 0.000 1.124 505 A HN 0.633 nan 8.150 nan 0.000 0.543 506 A N -0.009 122.847 122.820 0.060 0.000 2.279 506 A HA 0.671 4.990 4.320 -0.001 0.000 0.303 506 A C 0.376 177.996 177.584 0.061 0.000 1.108 506 A CA -0.245 51.856 52.037 0.106 0.000 0.830 506 A CB 0.381 19.526 19.000 0.242 0.000 1.106 506 A HN 0.239 nan 8.150 nan 0.000 0.493 507 S N 0.791 116.582 115.700 0.152 0.000 2.549 507 S HA 0.452 4.922 4.470 -0.001 0.000 0.279 507 S C 0.006 174.736 174.600 0.216 0.000 1.321 507 S CA -0.219 58.100 58.200 0.199 0.000 1.054 507 S CB 0.171 63.552 63.200 0.300 0.000 0.899 507 S HN 0.667 nan 8.310 nan 0.000 0.497 508 K N 1.143 121.648 120.400 0.175 0.000 2.571 508 K HA 0.581 4.900 4.320 -0.001 0.000 0.289 508 K C -1.609 175.077 176.600 0.144 0.000 1.028 508 K CA -1.050 55.261 56.287 0.039 0.000 0.895 508 K CB 1.159 33.526 32.500 -0.222 0.000 1.534 508 K HN 0.581 nan 8.250 nan 0.000 0.421 509 Y N -1.676 118.648 120.300 0.041 0.000 2.638 509 Y HA 0.620 5.170 4.550 -0.001 0.000 0.339 509 Y C -1.093 174.881 175.900 0.123 0.000 1.084 509 Y CA -1.062 57.073 58.100 0.059 0.000 1.068 509 Y CB 1.639 40.082 38.460 -0.028 0.000 1.294 509 Y HN 0.749 nan 8.280 nan 0.000 0.480 510 H N 1.944 121.167 119.070 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 -1.050 55.090 56.048 0.153 0.000 1.276 510 H CB 1.574 31.379 29.762 0.073 0.000 1.681 510 H HN 0.879 nan 8.280 nan 0.000 0.521 511 L N 4.174 125.482 121.223 0.141 0.000 2.305 511 L HA 0.184 4.523 4.340 -0.001 0.000 0.284 511 L C 0.398 177.338 176.870 0.117 0.000 1.013 511 L CA -0.645 54.234 54.840 0.065 0.000 0.819 511 L CB 1.071 43.229 42.059 0.164 0.000 1.227 511 L HN 0.866 nan 8.230 nan 0.000 0.417 512 N N 3.173 121.923 118.700 0.083 0.000 2.758 512 N HA -0.174 4.565 4.740 -0.001 0.000 0.248 512 N C 0.640 176.266 175.510 0.194 0.000 1.076 512 N CA 1.115 54.240 53.050 0.125 0.000 0.696 512 N CB -0.767 37.782 38.487 0.103 0.000 0.979 512 N HN 1.059 nan 8.380 nan 0.000 0.550 513 G N 0.003 109.015 108.800 0.353 0.000 2.273 513 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.280 513 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.280 513 G C -0.106 174.928 174.900 0.224 0.000 1.047 513 G CA 0.594 45.873 45.100 0.299 0.000 0.869 513 G HN 0.750 nan 8.290 nan 0.000 0.502 514 R N 0.398 121.064 120.500 0.278 0.000 2.507 514 R HA 0.280 4.619 4.340 -0.001 0.000 0.298 514 R C -1.119 175.292 176.300 0.185 0.000 1.087 514 R CA -0.835 55.383 56.100 0.197 0.000 0.917 514 R CB 0.793 31.195 30.300 0.169 0.000 1.173 514 R HN 0.133 nan 8.270 nan 0.000 0.472 515 D N 1.971 122.475 120.400 0.173 0.000 2.417 515 D HA 0.097 4.737 4.640 -0.001 0.000 0.250 515 D C -0.607 175.725 176.300 0.054 0.000 1.166 515 D CA 0.806 54.873 54.000 0.112 0.000 0.881 515 D CB 1.544 42.435 40.800 0.152 0.000 1.164 515 D HN 0.334 nan 8.370 nan 0.000 0.467 516 S N 1.633 117.156 115.700 -0.295 0.000 2.521 516 S HA 0.301 4.771 4.470 -0.001 0.000 0.295 516 S C -0.376 173.954 174.600 -0.450 0.000 1.098 516 S CA -0.763 57.189 58.200 -0.412 0.000 0.999 516 S CB 1.813 64.573 63.200 -0.732 0.000 1.034 516 S HN 0.295 nan 8.310 nan 0.000 0.483 517 L N 4.050 125.182 121.223 -0.152 0.000 2.418 517 L HA 0.308 4.647 4.340 -0.001 0.000 0.274 517 L C -0.242 176.572 176.870 -0.094 0.000 1.135 517 L CA 0.178 54.942 54.840 -0.127 0.000 0.870 517 L CB 0.530 42.535 42.059 -0.091 0.000 1.154 517 L HN 0.505 nan 8.230 nan 0.000 0.462 518 V N 6.866 126.794 119.914 0.022 0.000 2.054 518 V HA -0.002 4.117 4.120 -0.001 0.000 0.243 518 V C 1.367 177.555 176.094 0.156 0.000 1.480 518 V CA 0.119 62.514 62.300 0.159 0.000 1.440 518 V CB -0.954 30.986 31.823 0.195 0.000 1.489 518 V HN 0.914 nan 8.190 nan 0.000 0.502 519 N N 5.282 123.995 118.700 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 54.148 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 62.842 63.100 0.148 0.000 0.799 520 P CB 1.219 32.985 31.700 0.110 0.000 0.917 521 G N 4.836 113.717 108.800 0.135 0.000 2.509 521 G HA2 0.418 4.377 3.960 -0.001 0.000 0.269 521 G HA3 0.418 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 0.215 nan 4.420 nan 0.000 0.269 522 P C -0.152 177.172 177.300 0.040 0.000 1.205 522 P CA 0.161 63.258 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 3.467 126.314 122.820 0.045 0.000 2.496 523 A HA 0.306 4.626 4.320 -0.001 0.000 0.278 523 A C 0.113 177.741 177.584 0.074 0.000 1.137 523 A CA 0.510 52.599 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 2.248 121.897 119.600 0.081 0.000 2.518 524 M HA 0.555 5.034 4.480 -0.001 0.000 0.300 524 M C 0.269 176.611 176.300 0.070 0.000 1.175 524 M CA -0.434 54.910 55.300 0.073 0.000 0.890 524 M CB 2.295 34.939 32.600 0.074 0.000 1.710 524 M HN 0.678 nan 8.290 nan 0.000 0.453 525 A N 1.108 123.956 122.820 0.047 0.000 2.445 525 A HA 0.328 4.647 4.320 -0.001 0.000 0.242 525 A C 0.771 178.375 177.584 0.033 0.000 1.075 525 A CA -0.170 51.877 52.037 0.018 0.000 0.777 525 A CB 0.219 19.203 19.000 -0.026 0.000 1.013 525 A HN 0.936 nan 8.150 nan 0.000 0.493 526 S N 0.462 116.183 115.700 0.035 0.000 2.395 526 S HA 0.039 4.509 4.470 -0.001 0.000 0.225 526 S C 0.679 175.402 174.600 0.205 0.000 1.027 526 S CA 1.282 59.568 58.200 0.143 0.000 0.965 526 S CB -0.261 63.083 63.200 0.240 0.000 0.812 526 S HN 0.951 nan 8.310 nan 0.000 0.482 527 H N 0.250 119.384 119.070 0.107 0.000 3.037 527 H HA 0.499 5.055 4.556 -0.001 0.000 0.355 527 H C -1.212 174.161 175.328 0.074 0.000 1.263 527 H CA -1.188 54.924 56.048 0.107 0.000 1.129 527 H CB 0.973 30.828 29.762 0.156 0.000 1.861 527 H HN 0.087 nan 8.280 nan 0.000 0.546 528 K N 0.769 121.266 120.400 0.162 0.000 2.179 528 K HA 0.225 4.545 4.320 -0.001 0.000 0.238 528 K C -0.602 176.101 176.600 0.172 0.000 1.033 528 K CA -0.775 55.563 56.287 0.086 0.000 0.926 528 K CB 0.651 33.180 32.500 0.048 0.000 1.151 528 K HN 0.327 nan 8.250 nan 0.000 0.492 529 D N 1.270 121.730 120.400 0.100 0.000 2.449 529 D HA -0.017 4.623 4.640 -0.001 0.000 0.236 529 D C -0.424 175.953 176.300 0.128 0.000 1.149 529 D CA 0.936 55.003 54.000 0.111 0.000 0.878 529 D CB 0.071 40.908 40.800 0.061 0.000 1.198 529 D HN 0.567 nan 8.370 nan 0.000 0.446 530 D N 1.468 121.943 120.400 0.125 0.000 2.699 530 D HA -0.171 4.469 4.640 -0.001 0.000 0.239 530 D C 0.552 176.919 176.300 0.112 0.000 1.136 530 D CA 0.921 54.979 54.000 0.097 0.000 0.668 530 D CB -0.444 40.398 40.800 0.070 0.000 1.060 530 D HN 0.587 nan 8.370 nan 0.000 0.429 531 E N -0.719 119.558 120.200 0.129 0.000 3.470 531 E HA 0.091 4.441 4.350 -0.001 0.000 0.220 531 E C 0.646 177.204 176.600 -0.071 0.000 1.260 531 E CA -0.086 56.383 56.400 0.115 0.000 1.240 531 E CB 0.405 30.256 29.700 0.252 0.000 2.780 531 E HN 0.049 nan 8.360 nan 0.000 0.573 532 E N 0.758 120.714 120.200 -0.407 0.000 3.916 532 E HA -0.264 4.085 4.350 -0.001 0.000 0.331 532 E C 0.769 177.153 176.600 -0.361 0.000 0.729 532 E CA 1.787 57.717 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 -0.982 119.283 120.400 -0.224 0.000 2.399 533 K HA 0.176 4.496 4.320 -0.001 0.000 0.196 533 K C 0.132 176.591 176.600 -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 -0.346 0.000 0.952 533 K HN 0.053 nan 8.250 nan 0.000 0.541 534 F N 3.006 122.968 119.950 0.019 0.000 2.404 534 F HA 0.314 4.840 4.527 -0.001 0.000 0.358 534 F C -0.171 175.705 175.800 0.126 0.000 1.120 534 F CA -1.337 56.685 58.000 0.038 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 3.251 123.308 119.950 0.180 0.000 2.508 535 F HA 0.801 5.327 4.527 -0.001 0.000 0.325 535 F C -3.117 172.750 175.800 0.113 0.000 1.090 535 F CA -3.844 54.238 58.000 0.137 0.000 0.945 535 F CB 0.770 39.815 39.000 0.075 0.000 1.156 535 F HN 0.114 nan 8.300 nan 0.000 0.463 536 P HA 0.058 nan 4.420 nan 0.000 0.268 536 P C -0.270 176.989 177.300 -0.068 0.000 1.204 536 P CA -0.212 62.884 63.100 -0.007 0.000 0.768 536 P CB 0.639 32.374 31.700 0.058 0.000 0.842 537 M N 5.647 125.113 119.600 -0.223 0.000 2.734 537 M HA -0.072 4.407 4.480 -0.001 0.000 0.356 537 M C 1.084 177.096 176.300 -0.480 0.000 1.790 537 M CA 0.813 55.959 55.300 -0.257 0.000 1.231 537 M CB -1.404 31.040 32.600 -0.260 0.000 2.102 537 M HN 0.605 nan 8.290 nan 0.000 0.463 538 H N 0.849 120.037 119.070 0.197 0.000 2.884 538 H HA -0.198 4.358 4.556 -0.001 0.000 0.289 538 H C 0.509 175.915 175.328 0.130 0.000 1.142 538 H CA 0.586 56.724 56.048 0.149 0.000 1.158 538 H CB -2.175 27.643 29.762 0.094 0.000 1.325 538 H HN 0.880 nan 8.280 nan 0.000 0.366 539 G N 0.919 109.755 108.800 0.060 0.000 3.155 539 G HA2 0.074 4.034 3.960 -0.001 0.000 0.213 539 G HA3 0.074 4.034 3.960 -0.001 0.000 0.213 539 G C 0.417 175.404 174.900 0.146 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 -1.205 117.587 118.700 0.153 0.000 3.046 540 N HA 0.244 4.983 4.740 -0.001 0.000 0.243 540 N C -1.615 173.913 175.510 0.031 0.000 1.452 540 N CA -0.871 52.245 53.050 0.110 0.000 0.882 540 N CB 0.943 39.499 38.487 0.116 0.000 1.425 540 N HN -0.189 nan 8.380 nan 0.000 0.517 541 L N 0.395 121.596 121.223 -0.037 0.000 2.371 541 L HA 0.521 4.861 4.340 -0.001 0.000 0.272 541 L C 0.016 176.645 176.870 -0.401 0.000 1.124 541 L CA -0.044 54.664 54.840 -0.220 0.000 0.816 541 L CB 0.320 42.233 42.059 -0.244 0.000 1.129 541 L HN 0.515 nan 8.230 nan 0.000 0.448 542 I N 2.790 123.061 120.570 -0.498 0.000 2.499 542 I HA 0.357 4.527 4.170 -0.001 0.000 0.288 542 I C -1.001 174.805 176.117 -0.520 0.000 1.048 542 I CA -0.385 60.660 61.300 -0.425 0.000 1.062 542 I CB 1.475 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 2.922 122.824 119.950 -0.079 0.000 2.443 543 F HA 0.617 5.144 4.527 -0.001 0.000 0.335 543 F C 0.994 176.759 175.800 -0.058 0.000 1.104 543 F CA -0.736 57.233 58.000 -0.053 0.000 1.013 543 F CB 1.849 40.820 39.000 -0.048 0.000 1.136 543 F HN 0.410 nan 8.300 nan 0.000 0.470 544 G N 2.758 111.643 108.800 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 -0.501 174.421 174.900 0.036 0.000 1.172 544 G CA -0.715 44.417 45.100 0.055 0.000 0.854 544 G HN 0.559 nan 8.290 nan 0.000 0.485 545 K N 0.693 121.091 120.400 -0.004 0.000 2.285 545 K HA 0.032 4.351 4.320 -0.001 0.000 0.255 545 K C 0.306 176.882 176.600 -0.040 0.000 1.000 545 K CA -0.077 56.186 56.287 -0.040 0.000 0.887 545 K CB 0.547 33.013 32.500 -0.057 0.000 0.997 545 K HN 0.495 nan 8.250 nan 0.000 0.510 546 E N 0.533 120.691 120.200 -0.069 0.000 2.351 546 E HA 0.100 4.449 4.350 -0.001 0.000 0.266 546 E C -0.297 176.277 176.600 -0.043 0.000 1.031 546 E CA 0.974 57.339 56.400 -0.059 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 -0.410 174.478 174.900 -0.020 0.000 0.989 547 G CA 0.094 45.182 45.100 -0.019 0.000 1.252 547 G HN 0.629 nan 8.290 nan 0.000 0.483 548 T N 1.404 115.951 114.554 -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 -0.090 62.002 62.100 -0.014 0.000 1.092 548 T CB 1.178 70.036 68.868 -0.017 0.000 1.160 548 T HN 0.795 nan 8.240 nan 0.000 0.469 549 T N 2.508 117.056 114.554 -0.011 0.000 2.939 549 T HA 0.168 4.518 4.350 -0.001 0.000 0.312 549 T C 1.630 176.324 174.700 -0.010 0.000 1.064 549 T CA 0.278 62.372 62.100 -0.010 0.000 1.136 549 T CB 0.475 69.335 68.868 -0.012 0.000 1.035 549 T HN 0.768 nan 8.240 nan 0.000 0.538 550 A N 2.513 125.328 122.820 -0.008 0.000 2.206 550 A HA 0.219 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 -0.461 174.126 174.600 -0.020 0.000 1.085 551 S CA -0.703 57.484 58.200 -0.022 0.000 1.096 551 S CB -0.302 62.885 63.200 -0.022 0.000 0.988 551 S HN 0.539 nan 8.310 nan 0.000 0.466 552 N N 2.265 120.951 118.700 -0.022 0.000 2.620 552 N HA -0.202 4.537 4.740 -0.001 0.000 0.293 552 N C -0.499 175.001 175.510 -0.017 0.000 1.178 552 N CA 0.661 53.700 53.050 -0.018 0.000 0.750 552 N CB -0.419 38.058 38.487 -0.017 0.000 0.949 552 N HN 0.670 nan 8.380 nan 0.000 0.555 553 A N 1.212 124.021 122.820 -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 1.027 20.014 19.000 -0.021 0.000 1.178 553 A HN 0.497 nan 8.150 nan 0.000 0.490 554 E N 0.124 120.312 120.200 -0.020 0.000 2.408 554 E HA 0.180 4.529 4.350 -0.001 0.000 0.259 554 E C 0.883 177.466 176.600 -0.029 0.000 1.110 554 E CA -0.173 56.215 56.400 -0.020 0.000 0.929 554 E CB 0.573 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 2.437 123.644 121.223 -0.027 0.000 2.265 555 L HA -0.105 4.234 4.340 -0.001 0.000 0.215 555 L C 0.762 177.600 176.870 -0.053 0.000 1.117 555 L CA 1.798 56.611 54.840 -0.044 0.000 0.782 555 L CB -0.091 41.950 42.059 -0.030 0.000 0.914 555 L HN 0.550 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 0.921 177.194 176.300 -0.045 0.000 1.029 556 D CA 0.328 54.302 54.000 -0.043 0.000 0.879 556 D CB -0.007 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 0.053 118.726 118.700 -0.044 0.000 2.205 557 N HA 0.025 4.765 4.740 -0.001 0.000 0.201 557 N C 0.241 175.726 175.510 -0.041 0.000 1.128 557 N CA 0.068 53.094 53.050 -0.041 0.000 0.867 557 N CB 1.607 40.074 38.487 -0.033 0.000 0.996 557 N HN 0.098 nan 8.380 nan 0.000 0.503 558 V N -2.117 117.766 119.914 -0.051 0.000 3.113 558 V HA 0.660 4.780 4.120 -0.001 0.000 0.316 558 V C -0.373 175.687 176.094 -0.058 0.000 1.125 558 V CA -0.979 61.290 62.300 -0.051 0.000 1.026 558 V CB 2.446 34.225 31.823 -0.072 0.000 1.080 558 V HN -0.185 nan 8.190 nan 0.000 0.444 559 M N 2.843 122.424 119.600 -0.032 0.000 2.085 559 M HA 0.585 5.065 4.480 -0.001 0.000 0.309 559 M C -1.018 175.249 176.300 -0.056 0.000 0.947 559 M CA -0.135 55.152 55.300 -0.021 0.000 0.918 559 M CB 1.674 34.300 32.600 0.043 0.000 1.504 559 M HN 0.554 nan 8.290 nan 0.000 0.420 560 I N 2.358 122.855 120.570 -0.121 0.000 2.428 560 I HA 0.369 4.539 4.170 -0.001 0.000 0.296 560 I C 0.588 176.642 176.117 -0.104 0.000 0.985 560 I CA -0.678 60.514 61.300 -0.179 0.000 1.260 560 I CB 1.794 39.594 38.000 -0.333 0.000 1.389 560 I HN 0.604 nan 8.210 nan 0.000 0.484 561 T N 0.299 114.786 114.554 -0.111 0.000 2.767 561 T HA 0.308 4.658 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 -0.848 61.201 62.100 -0.085 0.000 1.019 561 T CB 1.469 70.169 68.868 -0.281 0.000 0.923 561 T HN 0.372 nan 8.240 nan 0.000 0.468 562 D N 2.164 122.643 120.400 0.132 0.000 2.274 562 D HA 0.204 4.844 4.640 -0.001 0.000 0.239 562 D C -0.088 176.336 176.300 0.207 0.000 1.104 562 D CA -0.422 53.697 54.000 0.198 0.000 0.840 562 D CB 0.932 41.870 40.800 0.230 0.000 1.100 562 D HN 0.454 nan 8.370 nan 0.000 0.477 563 E N 3.263 123.566 120.200 0.173 0.000 2.360 563 E HA 0.062 4.412 4.350 -0.001 0.000 0.253 563 E C 0.071 176.690 176.600 0.031 0.000 1.189 563 E CA -0.045 56.434 56.400 0.132 0.000 1.252 563 E CB 0.328 30.112 29.700 0.140 0.000 1.408 563 E HN 0.651 nan 8.360 nan 0.000 0.464 564 E N -0.356 119.846 120.200 0.003 0.000 2.501 564 E HA 0.099 4.448 4.350 -0.001 0.000 0.200 564 E C 0.301 176.869 176.600 -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 -0.002 nan 8.360 nan 0.000 0.468 565 E N 1.086 121.266 120.200 -0.032 0.000 2.340 565 E HA 0.081 4.431 4.350 -0.001 0.000 0.194 565 E C 1.706 178.280 176.600 -0.044 0.000 0.996 565 E CA 0.415 56.784 56.400 -0.052 0.000 0.869 565 E CB 0.111 29.762 29.700 -0.082 0.000 0.835 565 E HN 0.533 nan 8.360 nan 0.000 0.493 566 I N -1.889 118.667 120.570 -0.024 0.000 3.855 566 I HA 0.248 4.418 4.170 -0.001 0.000 0.327 566 I C 1.038 177.167 176.117 0.019 0.000 1.359 566 I CA -0.123 61.180 61.300 0.006 0.000 1.142 566 I CB 0.112 38.125 38.000 0.022 0.000 1.041 566 I HN -0.127 nan 8.210 nan 0.000 0.403 567 R N 1.494 121.990 120.500 -0.006 0.000 2.249 567 R HA -0.093 4.246 4.340 -0.001 0.000 0.230 567 R C 1.996 178.299 176.300 0.005 0.000 1.121 567 R CA 1.912 58.004 56.100 -0.013 0.000 0.997 567 R CB -0.364 29.915 30.300 -0.035 0.000 0.867 567 R HN 0.655 nan 8.270 nan 0.000 0.465 568 T N -3.821 110.748 114.554 0.024 0.000 3.057 568 T HA 0.018 4.367 4.350 -0.001 0.000 0.254 568 T C 1.679 176.385 174.700 0.009 0.000 1.094 568 T CA 0.938 63.050 62.100 0.020 0.000 1.088 568 T CB 0.379 69.272 68.868 0.041 0.000 0.934 568 T HN 0.267 nan 8.240 nan 0.000 0.497 569 T N -1.594 112.982 114.554 0.036 0.000 2.964 569 T HA 0.315 4.665 4.350 -0.001 0.000 0.250 569 T C 0.322 175.078 174.700 0.093 0.000 0.982 569 T CA -0.475 61.653 62.100 0.046 0.000 0.959 569 T CB -0.252 68.650 68.868 0.056 0.000 1.141 569 T HN 0.339 nan 8.240 nan 0.000 0.494 570 N N 2.186 120.935 118.700 0.082 0.000 2.319 570 N HA 0.608 5.348 4.740 -0.001 0.000 0.305 570 N C -3.103 172.440 175.510 0.054 0.000 1.103 570 N CA -1.898 51.207 53.050 0.092 0.000 0.815 570 N CB 1.775 40.321 38.487 0.099 0.000 1.288 570 N HN 0.059 nan 8.380 nan 0.000 0.493 571 P HA 0.054 nan 4.420 nan 0.000 0.272 571 P C -0.697 176.627 177.300 0.040 0.000 1.230 571 P CA -0.385 62.740 63.100 0.041 0.000 0.788 571 P CB 0.559 32.334 31.700 0.125 0.000 0.949 572 V N 1.387 121.311 119.914 0.018 0.000 2.614 572 V HA 0.183 4.303 4.120 -0.001 0.000 0.291 572 V C 1.637 177.751 176.094 0.034 0.000 1.049 572 V CA 0.439 62.751 62.300 0.019 0.000 1.038 572 V CB 0.233 32.058 31.823 0.004 0.000 0.980 572 V HN 0.710 nan 8.190 nan 0.000 0.481 573 A N 3.799 126.645 122.820 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 2.322 54.386 52.037 0.044 0.000 0.623 573 A CB -0.709 18.325 19.000 0.058 0.000 0.818 573 A HN 1.007 nan 8.150 nan 0.000 0.443 574 T N -2.560 111.996 114.554 0.005 0.000 3.014 574 T HA 0.067 4.417 4.350 -0.001 0.000 0.263 574 T C 0.764 175.438 174.700 -0.044 0.000 1.078 574 T CA 0.429 62.511 62.100 -0.029 0.000 1.135 574 T CB -0.161 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 2.390 122.572 120.200 -0.031 0.000 2.376 575 E HA 0.211 4.560 4.350 -0.001 0.000 0.254 575 E C 0.558 177.147 176.600 -0.019 0.000 1.213 575 E CA -0.321 56.056 56.400 -0.038 0.000 0.945 575 E CB 0.476 30.154 29.700 -0.036 0.000 1.057 575 E HN 0.758 nan 8.360 nan 0.000 0.479 576 Q N -0.333 119.455 119.800 -0.020 0.000 2.700 576 Q HA -0.013 4.327 4.340 -0.001 0.000 0.191 576 Q C 0.655 176.691 176.000 0.059 0.000 1.134 576 Q CA 0.042 55.851 55.803 0.010 0.000 1.193 576 Q CB 0.164 28.900 28.738 -0.004 0.000 1.250 576 Q HN 0.622 nan 8.270 nan 0.000 0.670 577 Y N -1.289 118.986 120.300 -0.041 0.000 2.351 577 Y HA 0.411 4.961 4.550 -0.001 0.000 0.291 577 Y C 0.635 176.521 175.900 -0.024 0.000 1.153 577 Y CA 1.153 59.235 58.100 -0.030 0.000 1.193 577 Y CB 0.832 39.273 38.460 -0.032 0.000 1.187 577 Y HN 0.802 nan 8.280 nan 0.000 0.524 578 G N -1.194 107.635 108.800 0.048 0.000 2.588 578 G HA2 0.399 4.359 3.960 -0.001 0.000 0.281 578 G HA3 0.399 4.359 3.960 -0.001 0.000 0.281 578 G C -1.456 173.465 174.900 0.035 0.000 1.223 578 G CA -0.364 44.712 45.100 -0.041 0.000 0.871 578 G HN -0.066 nan 8.290 nan 0.000 0.492 579 T N 0.177 114.747 114.554 0.027 0.000 2.879 579 T HA 0.613 4.963 4.350 -0.001 0.000 0.290 579 T C -0.855 173.865 174.700 0.034 0.000 0.993 579 T CA -0.228 61.885 62.100 0.022 0.000 0.975 579 T CB 1.659 70.526 68.868 -0.001 0.000 0.981 579 T HN 0.616 nan 8.240 nan 0.000 0.439 580 V N 2.166 122.098 119.914 0.031 0.000 2.628 580 V HA 0.851 4.971 4.120 -0.001 0.000 0.306 580 V C 0.348 176.452 176.094 0.016 0.000 1.045 580 V CA -1.203 61.114 62.300 0.028 0.000 0.905 580 V CB 1.729 33.569 31.823 0.028 0.000 0.997 580 V HN 1.063 nan 8.190 nan 0.000 0.436 581 A N 3.160 125.989 122.820 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 19.186 19.000 0.013 0.000 1.047 581 A HN 1.061 nan 8.150 nan 0.000 0.487 582 N N 1.137 119.840 118.700 0.005 0.000 2.604 582 N HA 0.122 4.861 4.740 -0.001 0.000 0.284 582 N C -1.200 174.311 175.510 0.003 0.000 1.716 582 N CA -0.419 52.633 53.050 0.003 0.000 0.859 582 N CB 0.110 38.598 38.487 0.001 0.000 1.403 582 N HN 0.739 nan 8.380 nan 0.000 0.501 583 N N -0.207 118.495 118.700 0.004 0.000 3.355 583 N HA 0.202 4.942 4.740 -0.001 0.000 0.238 583 N C -1.729 173.785 175.510 0.006 0.000 1.466 583 N CA -0.583 52.469 53.050 0.004 0.000 0.882 583 N CB 0.720 39.208 38.487 0.002 0.000 1.406 583 N HN 0.047 nan 8.380 nan 0.000 0.500 584 L N 1.405 122.631 121.223 0.005 0.000 2.417 584 L HA 0.273 4.613 4.340 -0.001 0.000 0.258 584 L C 0.119 176.993 176.870 0.006 0.000 1.088 584 L CA -0.851 53.993 54.840 0.007 0.000 0.975 584 L CB 0.506 42.569 42.059 0.007 0.000 1.341 584 L HN 0.601 nan 8.230 nan 0.000 0.431 585 Q N 2.007 121.811 119.800 0.006 0.000 2.349 585 Q HA 0.407 4.746 4.340 -0.001 0.000 0.287 585 Q C 0.041 176.043 176.000 0.004 0.000 1.044 585 Q CA -0.002 55.803 55.803 0.004 0.000 0.918 585 Q CB 1.137 29.878 28.738 0.004 0.000 1.242 585 Q HN 0.558 nan 8.270 nan 0.000 0.405 586 S N 0.468 116.170 115.700 0.002 0.000 2.757 586 S HA 0.429 4.899 4.470 -0.001 0.000 0.285 586 S C 0.447 175.047 174.600 -0.000 0.000 1.196 586 S CA -0.308 57.893 58.200 0.002 0.000 0.856 586 S CB 0.324 63.525 63.200 0.003 0.000 1.212 586 S HN 0.859 nan 8.310 nan 0.000 0.516 587 S N 1.226 116.925 115.700 -0.001 0.000 2.399 587 S HA -0.091 4.378 4.470 -0.001 0.000 0.231 587 S C 1.254 175.853 174.600 -0.002 0.000 1.022 587 S CA 1.108 59.306 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 1.537 120.237 118.700 -0.001 0.000 2.300 588 N HA 0.043 4.783 4.740 -0.001 0.000 0.179 588 N C -0.052 175.457 175.510 -0.002 0.000 1.016 588 N CA 0.927 53.977 53.050 -0.001 0.000 0.876 588 N CB -0.138 38.349 38.487 -0.001 0.000 0.979 588 N HN 0.424 nan 8.380 nan 0.000 0.432 589 T N 0.418 114.971 114.554 -0.001 0.000 2.807 589 T HA 0.616 4.966 4.350 -0.001 0.000 0.279 589 T C -0.343 174.356 174.700 -0.002 0.000 0.993 589 T CA -0.807 61.293 62.100 -0.001 0.000 0.970 589 T CB 2.416 71.284 68.868 -0.000 0.000 0.950 589 T HN 0.104 nan 8.240 nan 0.000 0.441 590 A N 4.944 127.763 122.820 -0.003 0.000 2.328 590 A HA 0.624 4.943 4.320 -0.001 0.000 0.284 590 A C -2.157 175.426 177.584 -0.002 0.000 1.160 590 A CA -1.661 50.374 52.037 -0.003 0.000 0.818 590 A CB -0.260 18.738 19.000 -0.004 0.000 1.087 590 A HN 0.578 nan 8.150 nan 0.000 0.504 591 P HA 0.078 nan 4.420 nan 0.000 0.261 591 P C -0.319 176.980 177.300 -0.001 0.000 1.183 591 P CA 0.554 63.654 63.100 -0.000 0.000 0.761 591 P CB 0.277 31.977 31.700 0.001 0.000 0.785 592 T N 2.562 117.115 114.554 -0.001 0.000 2.867 592 T HA 0.409 4.758 4.350 -0.001 0.000 0.282 592 T C 0.176 174.875 174.700 -0.001 0.000 1.000 592 T CA -0.223 61.876 62.100 -0.002 0.000 1.042 592 T CB 0.959 69.825 68.868 -0.003 0.000 0.973 592 T HN 0.235 nan 8.240 nan 0.000 0.465 593 T N 3.355 117.907 114.554 -0.004 0.000 2.824 593 T HA 0.528 4.877 4.350 -0.001 0.000 0.282 593 T C -0.469 174.228 174.700 -0.005 0.000 0.993 593 T CA -0.761 61.337 62.100 -0.003 0.000 0.967 593 T CB 1.115 69.981 68.868 -0.005 0.000 0.960 593 T HN 0.281 nan 8.240 nan 0.000 0.441 594 R N 2.289 122.788 120.500 -0.002 0.000 2.480 594 R HA 0.389 4.729 4.340 -0.001 0.000 0.306 594 R C -0.838 175.462 176.300 0.001 0.000 0.958 594 R CA -0.474 55.624 56.100 -0.004 0.000 0.861 594 R CB 1.458 31.756 30.300 -0.004 0.000 1.171 594 R HN 0.601 nan 8.270 nan 0.000 0.445 595 T N 3.378 117.929 114.554 -0.005 0.000 2.779 595 T HA 0.066 4.416 4.350 -0.001 0.000 0.296 595 T C -0.172 174.532 174.700 0.006 0.000 0.938 595 T CA -0.033 62.068 62.100 0.000 0.000 1.119 595 T CB 0.647 69.507 68.868 -0.012 0.000 0.891 595 T HN 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.848 125.784 119.914 0.036 0.000 2.408 596 V HA 0.272 4.391 4.120 -0.001 0.000 0.267 596 V C 0.603 176.717 176.094 0.033 0.000 1.047 596 V CA -0.344 61.977 62.300 0.034 0.000 0.937 596 V CB 0.457 32.325 31.823 0.075 0.000 0.999 596 V HN 0.833 nan 8.190 nan 0.000 0.472 597 N N 4.465 123.144 118.700 -0.034 0.000 2.254 597 N HA 0.149 4.888 4.740 -0.001 0.000 0.190 597 N C -0.417 175.015 175.510 -0.130 0.000 1.107 597 N CA 0.156 53.166 53.050 -0.067 0.000 0.869 597 N CB 0.613 39.039 38.487 -0.102 0.000 0.983 597 N HN 0.787 nan 8.380 nan 0.000 0.487 598 D N 0.649 120.962 120.400 -0.145 0.000 2.855 598 D HA 0.188 4.828 4.640 -0.001 0.000 0.241 598 D C -1.537 174.633 176.300 -0.216 0.000 1.277 598 D CA -0.351 53.543 54.000 -0.176 0.000 0.918 598 D CB 1.527 42.225 40.800 -0.170 0.000 1.462 598 D HN -0.254 nan 8.370 nan 0.000 0.559 599 Q N 2.584 122.206 119.800 -0.298 0.000 2.309 599 Q HA 0.657 4.996 4.340 -0.001 0.000 0.270 599 Q C 0.096 175.917 176.000 -0.298 0.000 1.023 599 Q CA -0.710 54.834 55.803 -0.432 0.000 0.758 599 Q CB 1.674 29.801 28.738 -1.019 0.000 1.247 599 Q HN 0.529 nan 8.270 nan 0.000 0.455 600 G N 1.995 110.659 108.800 -0.226 0.000 2.441 600 G HA2 0.490 4.449 3.960 -0.001 0.000 0.258 600 G HA3 0.490 4.449 3.960 -0.001 0.000 0.258 600 G C -0.674 174.081 174.900 -0.242 0.000 1.487 600 G CA -0.046 44.923 45.100 -0.218 0.000 1.058 600 G HN 0.793 nan 8.290 nan 0.000 0.552 601 A N -1.271 121.402 122.820 -0.245 0.000 2.306 601 A HA 0.746 5.066 4.320 -0.001 0.000 0.314 601 A C -0.605 176.949 177.584 -0.050 0.000 1.164 601 A CA -0.405 51.519 52.037 -0.189 0.000 0.822 601 A CB 0.788 19.595 19.000 -0.323 0.000 1.130 601 A HN 0.512 nan 8.150 nan 0.000 0.496 602 L N 2.088 123.339 121.223 0.046 0.000 2.422 602 L HA 0.413 4.753 4.340 -0.001 0.000 0.264 602 L C -2.535 174.432 176.870 0.162 0.000 0.984 602 L CA -2.016 52.877 54.840 0.089 0.000 0.819 602 L CB 2.674 44.782 42.059 0.081 0.000 1.330 602 L HN 0.438 nan 8.230 nan 0.000 0.410 603 P HA 0.169 nan 4.420 nan 0.000 0.262 603 P C 0.680 178.102 177.300 0.204 0.000 1.199 603 P CA 0.678 63.883 63.100 0.174 0.000 0.763 603 P CB 0.722 32.500 31.700 0.130 0.000 0.790 604 G N 2.481 111.447 108.800 0.276 0.000 2.253 604 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.209 604 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.209 604 G C 0.223 175.361 174.900 0.397 0.000 0.997 604 G CA -0.530 44.803 45.100 0.388 0.000 0.640 604 G HN 0.437 nan 8.290 nan 0.000 0.496 605 M N 1.502 121.298 119.600 0.327 0.000 2.239 605 M HA 0.478 4.957 4.480 -0.001 0.000 0.348 605 M C 0.696 177.215 176.300 0.365 0.000 1.239 605 M CA 0.213 55.725 55.300 0.353 0.000 1.114 605 M CB 1.277 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 1.215 121.310 119.914 0.302 0.000 2.962 606 V HA 0.949 5.069 4.120 -0.001 0.000 0.313 606 V C -1.533 174.742 176.094 0.302 0.000 1.099 606 V CA -0.652 61.711 62.300 0.105 0.000 0.971 606 V CB 1.859 33.580 31.823 -0.170 0.000 1.028 606 V HN 1.125 nan 8.190 nan 0.000 0.430 607 W N 1.515 122.775 121.300 -0.067 0.000 2.959 607 W HA 0.852 5.512 4.660 -0.001 0.000 0.358 607 W C -1.298 175.194 176.519 -0.045 0.000 1.228 607 W CA -0.763 56.554 57.345 -0.047 0.000 1.183 607 W CB 1.388 30.827 29.460 -0.036 0.000 1.467 607 W HN 0.783 nan 8.180 nan 0.000 0.578 608 Q N 1.170 121.091 119.800 0.203 0.000 2.297 608 Q HA 0.456 4.796 4.340 -0.001 0.000 0.269 608 Q C -1.085 175.037 176.000 0.202 0.000 1.051 608 Q CA -0.319 55.525 55.803 0.069 0.000 0.869 608 Q CB 1.723 30.467 28.738 0.009 0.000 1.346 608 Q HN 0.379 nan 8.270 nan 0.000 0.457 609 D N 0.130 120.587 120.400 0.096 0.000 2.385 609 D HA 0.365 5.004 4.640 -0.001 0.000 0.254 609 D C -0.462 175.907 176.300 0.114 0.000 1.053 609 D CA -0.513 53.587 54.000 0.167 0.000 0.992 609 D CB 0.851 41.757 40.800 0.177 0.000 1.145 609 D HN 0.349 nan 8.370 nan 0.000 0.523 610 R N 0.565 121.156 120.500 0.150 0.000 2.679 610 R HA 0.075 4.415 4.340 -0.001 0.000 0.268 610 R C -0.131 176.260 176.300 0.152 0.000 1.044 610 R CA 0.071 56.261 56.100 0.148 0.000 1.105 610 R CB 0.334 30.735 30.300 0.168 0.000 0.989 610 R HN 0.416 nan 8.270 nan 0.000 0.447 611 D N 0.452 120.906 120.400 0.090 0.000 2.371 611 D HA 0.171 4.811 4.640 -0.001 0.000 0.242 611 D C -0.639 175.498 176.300 -0.272 0.000 1.218 611 D CA -0.189 53.785 54.000 -0.043 0.000 0.945 611 D CB 0.936 41.598 40.800 -0.231 0.000 1.137 611 D HN 0.197 nan 8.370 nan 0.000 0.464 612 V N -0.414 119.228 119.914 -0.453 0.000 2.715 612 V HA 0.616 4.736 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 61.341 62.300 -0.385 0.000 0.928 612 V CB 1.101 32.692 31.823 -0.387 0.000 1.007 612 V HN 0.456 nan 8.190 nan 0.000 0.437 613 Y N 2.333 122.701 120.300 0.113 0.000 2.509 613 Y HA 0.576 5.126 4.550 -0.001 0.000 0.341 613 Y C 0.814 176.474 175.900 -0.400 0.000 1.038 613 Y CA -0.908 57.197 58.100 0.008 0.000 1.089 613 Y CB 1.792 40.313 38.460 0.101 0.000 1.241 613 Y HN 0.627 nan 8.280 nan 0.000 0.468 614 L N 1.601 122.371 121.223 -0.755 0.000 2.151 614 L HA -0.253 4.087 4.340 -0.001 0.000 0.215 614 L C 1.721 178.336 176.870 -0.424 0.000 1.084 614 L CA 2.070 56.093 54.840 -1.361 0.000 0.764 614 L CB -0.393 40.936 42.059 -1.216 0.000 0.891 614 L HN 0.821 nan 8.230 nan 0.000 0.435 615 Q N -1.211 118.464 119.800 -0.209 0.000 2.175 615 Q HA 0.317 4.656 4.340 -0.001 0.000 0.225 615 Q C 0.590 176.602 176.000 0.020 0.000 0.837 615 Q CA 0.348 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 0.376 nan 8.270 nan 0.000 0.483 616 G N 2.044 110.981 108.800 0.228 0.000 2.522 616 G HA2 0.517 4.476 3.960 -0.001 0.000 0.304 616 G HA3 0.517 4.476 3.960 -0.001 0.000 0.304 616 G C -2.776 172.346 174.900 0.371 0.000 1.210 616 G CA -1.408 43.976 45.100 0.473 0.000 0.960 616 G HN 0.075 nan 8.290 nan 0.000 0.497 617 P HA 0.228 nan 4.420 nan 0.000 0.272 617 P C 0.457 177.802 177.300 0.075 0.000 1.223 617 P CA -0.240 62.905 63.100 0.074 0.000 0.784 617 P CB 1.134 32.873 31.700 0.065 0.000 0.923 618 I N -0.510 119.942 120.570 -0.197 0.000 2.726 618 I HA 0.167 4.337 4.170 -0.001 0.000 0.243 618 I C 0.727 177.081 176.117 0.395 0.000 1.082 618 I CA 0.634 61.885 61.300 -0.081 0.000 1.447 618 I CB -0.382 37.560 38.000 -0.098 0.000 1.250 618 I HN 0.436 nan 8.210 nan 0.000 0.453 619 W N 1.057 122.510 121.300 0.256 0.000 3.207 619 W HA 0.823 5.483 4.660 -0.001 0.000 0.326 619 W C -1.182 175.469 176.519 0.220 0.000 1.190 619 W CA -1.202 56.322 57.345 0.298 0.000 1.011 619 W CB 0.818 30.477 29.460 0.331 0.000 1.511 619 W HN -0.035 nan 8.180 nan 0.000 0.606 620 A N 1.334 124.449 122.820 0.492 0.000 2.555 620 A HA 0.465 4.785 4.320 -0.001 0.000 0.297 620 A C -1.412 176.344 177.584 0.287 0.000 1.060 620 A CA -1.116 51.122 52.037 0.334 0.000 0.710 620 A CB 1.390 20.501 19.000 0.185 0.000 1.282 620 A HN 0.723 nan 8.150 nan 0.000 0.399 621 K N 2.301 122.825 120.400 0.208 0.000 2.412 621 K HA 0.388 4.708 4.320 -0.001 0.000 0.281 621 K C -0.654 175.913 176.600 -0.055 0.000 1.027 621 K CA -0.048 56.183 56.287 -0.094 0.000 0.989 621 K CB 0.146 32.404 32.500 -0.404 0.000 0.935 621 K HN 0.579 nan 8.250 nan 0.000 0.475 622 I N 7.758 128.243 120.570 -0.141 0.000 2.379 622 I HA 0.114 4.284 4.170 -0.001 0.000 0.290 622 I C -1.859 174.178 176.117 -0.134 0.000 1.063 622 I CA -2.283 58.922 61.300 -0.157 0.000 1.351 622 I CB 0.933 38.760 38.000 -0.289 0.000 1.410 622 I HN 0.521 nan 8.210 nan 0.000 0.505 623 P HA -0.111 nan 4.420 nan 0.000 0.262 623 P C -0.515 176.859 177.300 0.124 0.000 1.182 623 P CA 0.183 63.321 63.100 0.064 0.000 0.761 623 P CB 0.193 31.955 31.700 0.103 0.000 0.795 624 H N 2.472 121.564 119.070 0.036 0.000 3.216 624 H HA 0.239 4.795 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 -0.504 29.262 29.762 0.007 0.000 1.759 624 H HN 0.333 nan 8.280 nan 0.000 0.533 625 T N -0.459 114.110 114.554 0.025 0.000 2.905 625 T HA 0.151 4.501 4.350 -0.001 0.000 0.283 625 T C 0.929 175.488 174.700 -0.234 0.000 1.031 625 T CA -0.938 61.128 62.100 -0.057 0.000 1.002 625 T CB 1.294 70.141 68.868 -0.035 0.000 1.200 625 T HN 0.229 nan 8.240 nan 0.000 0.560 626 D N 0.457 120.747 120.400 -0.183 0.000 2.224 626 D HA 0.193 4.832 4.640 -0.001 0.000 0.205 626 D C 0.918 177.034 176.300 -0.308 0.000 0.965 626 D CA 1.094 54.979 54.000 -0.191 0.000 0.852 626 D CB -0.220 40.521 40.800 -0.097 0.000 0.947 626 D HN 0.812 nan 8.370 nan 0.000 0.494 627 G N -0.721 107.829 108.800 -0.416 0.000 2.682 627 G HA2 0.536 4.496 3.960 -0.001 0.000 0.300 627 G HA3 0.536 4.496 3.960 -0.001 0.000 0.300 627 G C -1.108 173.447 174.900 -0.575 0.000 1.391 627 G CA -0.608 44.237 45.100 -0.425 0.000 0.990 627 G HN 0.021 nan 8.290 nan 0.000 0.501 628 H N 0.970 120.063 119.070 0.039 0.000 2.949 628 H HA 0.552 5.108 4.556 -0.001 0.000 0.356 628 H C -0.678 174.752 175.328 0.170 0.000 1.212 628 H CA -0.650 55.440 56.048 0.071 0.000 1.136 628 H CB 2.360 32.136 29.762 0.023 0.000 1.869 628 H HN 0.419 nan 8.280 nan 0.000 0.556 629 F N 0.103 120.157 119.950 0.172 0.000 2.376 629 F HA 0.174 4.701 4.527 -0.001 0.000 0.234 629 F C 0.508 176.451 175.800 0.239 0.000 1.010 629 F CA 0.374 58.474 58.000 0.166 0.000 1.100 629 F CB 0.435 39.509 39.000 0.123 0.000 1.360 629 F HN 0.474 nan 8.300 nan 0.000 0.649 630 H N 2.173 121.262 119.070 0.031 0.000 2.643 630 H HA 0.314 4.869 4.556 -0.001 0.000 0.259 630 H C -2.127 173.263 175.328 0.103 0.000 1.298 630 H CA -1.884 54.158 56.048 -0.011 0.000 1.301 630 H CB 0.768 30.637 29.762 0.178 0.000 1.422 630 H HN 0.081 nan 8.280 nan 0.000 0.521 631 P HA -0.054 nan 4.420 nan 0.000 0.279 631 P C 0.099 177.393 177.300 -0.009 0.000 1.451 631 P CA 0.284 63.363 63.100 -0.035 0.000 0.783 631 P CB -0.231 31.382 31.700 -0.146 0.000 1.490 632 S N 1.554 117.286 115.700 0.052 0.000 2.499 632 S HA 0.322 4.792 4.470 -0.001 0.000 0.275 632 S C -2.289 172.390 174.600 0.132 0.000 1.257 632 S CA -1.704 56.559 58.200 0.105 0.000 1.050 632 S CB -0.186 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 0.031 nan 4.420 nan 0.000 0.262 633 P C 0.595 177.967 177.300 0.121 0.000 1.182 633 P CA 0.127 63.297 63.100 0.116 0.000 0.761 633 P CB 0.337 32.113 31.700 0.126 0.000 0.795 634 L N 2.248 123.537 121.223 0.110 0.000 2.201 634 L HA -0.092 4.248 4.340 -0.001 0.000 0.212 634 L C 2.018 178.957 176.870 0.115 0.000 1.105 634 L CA 1.363 56.269 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 -0.520 119.146 119.600 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 0.494 55.865 55.300 0.118 0.000 1.070 635 M CB -0.192 32.463 32.600 0.092 0.000 1.525 635 M HN 0.329 nan 8.290 nan 0.000 0.517 636 G N -0.203 108.680 108.800 0.139 0.000 2.619 636 G HA2 0.278 4.238 3.960 -0.001 0.000 0.686 636 G HA3 0.278 4.238 3.960 -0.001 0.000 0.686 636 G C -0.274 174.685 174.900 0.098 0.000 1.256 636 G CA -0.575 44.600 45.100 0.125 0.000 0.826 636 G HN 0.777 nan 8.290 nan 0.000 0.619 637 G N -1.029 107.765 108.800 -0.009 0.000 2.428 637 G HA2 0.388 4.348 3.960 -0.001 0.000 0.202 637 G HA3 0.388 4.348 3.960 -0.001 0.000 0.202 637 G C -0.445 174.332 174.900 -0.205 0.000 1.247 637 G CA 0.055 45.090 45.100 -0.108 0.000 1.020 637 G HN 1.722 nan 8.290 nan 0.000 0.529 638 F N 1.828 121.936 119.950 0.263 0.000 2.411 638 F HA 0.586 5.112 4.527 -0.001 0.000 0.352 638 F C 1.101 177.037 175.800 0.228 0.000 1.123 638 F CA 0.169 58.304 58.000 0.226 0.000 1.044 638 F CB 2.065 41.210 39.000 0.242 0.000 1.135 638 F HN 0.734 nan 8.300 nan 0.000 0.461 639 G N 4.889 113.857 108.800 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 -1.014 173.957 174.900 0.119 0.000 1.126 639 G CA -0.515 44.687 45.100 0.170 0.000 0.896 639 G HN 0.570 nan 8.290 nan 0.000 0.436 640 L N 2.931 124.207 121.223 0.087 0.000 2.362 640 L HA 0.372 4.712 4.340 -0.001 0.000 0.275 640 L C 1.072 177.840 176.870 -0.171 0.000 0.998 640 L CA -1.115 53.725 54.840 0.001 0.000 0.820 640 L CB 2.333 44.420 42.059 0.046 0.000 1.270 640 L HN 0.434 nan 8.230 nan 0.000 0.415 641 K N 0.924 121.183 120.400 -0.235 0.000 2.057 641 K HA -0.031 4.289 4.320 -0.001 0.000 0.207 641 K C 0.281 176.382 176.600 -0.831 0.000 1.049 641 K CA 1.297 57.290 56.287 -0.490 0.000 0.931 641 K CB 0.062 32.294 32.500 -0.447 0.000 0.714 641 K HN 0.540 nan 8.250 nan 0.000 0.440 642 H N 0.269 119.170 119.070 -0.281 0.000 2.569 642 H HA 0.298 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 53.701 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 0.155 nan 4.420 nan 0.000 0.276 643 P C -2.599 174.440 177.300 -0.434 0.000 1.261 643 P CA -1.879 61.045 63.100 -0.293 0.000 0.800 643 P CB 0.025 31.562 31.700 -0.271 0.000 1.066 644 P HA 0.023 nan 4.420 nan 0.000 0.258 644 P C -2.099 175.029 177.300 -0.286 0.000 1.172 644 P CA -0.268 62.110 63.100 -1.204 0.000 0.762 644 P CB -1.123 29.907 31.700 -1.117 0.000 0.764 645 P HA 0.031 nan 4.420 nan 0.000 0.272 645 P C -0.486 176.734 177.300 -0.134 0.000 1.240 645 P CA -0.038 63.014 63.100 -0.079 0.000 0.791 645 P CB 0.718 32.272 31.700 -0.244 0.000 0.978 646 Q N 0.626 120.325 119.800 -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 55.326 55.803 -0.323 0.000 0.912 646 Q CB 0.216 28.710 28.738 -0.406 0.000 1.192 646 Q HN 0.329 nan 8.270 nan 0.000 0.410 647 I N 3.038 123.339 120.570 -0.448 0.000 2.337 647 I HA 0.184 4.354 4.170 -0.001 0.000 0.285 647 I C -0.508 175.377 176.117 -0.388 0.000 1.041 647 I CA -0.208 60.775 61.300 -0.529 0.000 1.199 647 I CB 0.615 38.257 38.000 -0.596 0.000 1.370 647 I HN 0.478 nan 8.210 nan 0.000 0.470 648 M N 6.591 125.765 119.600 -0.710 0.000 2.274 648 M HA 0.551 5.030 4.480 -0.001 0.000 0.344 648 M C -0.647 175.636 176.300 -0.029 0.000 1.161 648 M CA -0.248 54.770 55.300 -0.470 0.000 1.126 648 M CB 1.205 33.174 32.600 -1.052 0.000 1.522 648 M HN 0.508 nan 8.290 nan 0.000 0.461 649 I N 3.120 123.839 120.570 0.249 0.000 2.722 649 I HA 0.683 4.853 4.170 -0.001 0.000 0.292 649 I C -1.832 174.284 176.117 -0.002 0.000 1.267 649 I CA -0.293 61.085 61.300 0.131 0.000 1.036 649 I CB 1.637 39.625 38.000 -0.020 0.000 1.281 649 I HN 0.679 nan 8.210 nan 0.000 0.423 650 K N 3.967 124.220 120.400 -0.246 0.000 2.578 650 K HA 0.558 4.878 4.320 -0.001 0.000 0.269 650 K C -1.905 174.519 176.600 -0.292 0.000 0.941 650 K CA -0.666 55.372 56.287 -0.415 0.000 0.847 650 K CB 0.705 32.582 32.500 -1.038 0.000 1.397 650 K HN 0.348 nan 8.250 nan 0.000 0.422 651 N N 1.306 119.909 118.700 -0.161 0.000 2.475 651 N HA 0.154 4.894 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 -0.213 52.786 53.050 -0.085 0.000 0.947 651 N CB 0.915 39.402 38.487 0.001 0.000 1.061 651 N HN 0.683 nan 8.380 nan 0.000 0.466 652 T N 3.657 118.127 114.554 -0.139 0.000 2.888 652 T HA 0.147 4.496 4.350 -0.001 0.000 0.301 652 T C -2.178 172.361 174.700 -0.269 0.000 1.001 652 T CA -0.699 61.291 62.100 -0.184 0.000 1.147 652 T CB 0.294 69.100 68.868 -0.103 0.000 0.931 652 T HN 0.266 nan 8.240 nan 0.000 0.541 653 P HA 0.152 nan 4.420 nan 0.000 0.263 653 P C -0.919 176.206 177.300 -0.290 0.000 1.195 653 P CA -0.131 62.465 63.100 -0.841 0.000 0.762 653 P CB 0.344 31.434 31.700 -1.016 0.000 0.799 654 V N 7.064 126.927 119.914 -0.085 0.000 2.304 654 V HA 0.265 4.385 4.120 -0.001 0.000 0.278 654 V C -2.106 174.160 176.094 0.287 0.000 1.018 654 V CA -2.101 60.249 62.300 0.085 0.000 0.814 654 V CB 1.352 33.210 31.823 0.058 0.000 1.021 654 V HN 0.460 nan 8.190 nan 0.000 0.440 655 P HA 0.211 nan 4.420 nan 0.000 0.266 655 P C 0.003 177.361 177.300 0.098 0.000 1.195 655 P CA 0.415 63.514 63.100 -0.001 0.000 0.768 655 P CB 0.773 32.171 31.700 -0.504 0.000 0.838 656 A N 3.114 126.038 122.820 0.174 0.000 2.450 656 A HA 0.251 4.570 4.320 -0.001 0.000 0.281 656 A C 0.104 177.785 177.584 0.161 0.000 1.372 656 A CA -0.667 51.457 52.037 0.145 0.000 0.886 656 A CB -0.335 18.735 19.000 0.116 0.000 1.462 656 A HN 0.591 nan 8.150 nan 0.000 0.514 657 N N 1.064 119.825 118.700 0.101 0.000 2.315 657 N HA 0.164 4.903 4.740 -0.001 0.000 0.270 657 N C -2.435 173.136 175.510 0.102 0.000 1.329 657 N CA -0.432 52.669 53.050 0.084 0.000 0.860 657 N CB 0.073 38.586 38.487 0.043 0.000 1.095 657 N HN 0.333 nan 8.380 nan 0.000 0.487 658 P HA 0.346 nan 4.420 nan 0.000 0.287 658 P C -2.539 174.797 177.300 0.060 0.000 1.270 658 P CA -1.310 61.877 63.100 0.145 0.000 0.844 658 P CB 0.412 32.249 31.700 0.229 0.000 1.068 659 P HA 0.180 nan 4.420 nan 0.000 0.275 659 P C 0.609 177.935 177.300 0.043 0.000 1.227 659 P CA -0.058 63.047 63.100 0.007 0.000 0.781 659 P CB 0.215 31.895 31.700 -0.033 0.000 0.906 660 T N -0.673 113.903 114.554 0.036 0.000 2.977 660 T HA -0.056 4.293 4.350 -0.001 0.000 0.271 660 T C 0.955 175.692 174.700 0.063 0.000 1.105 660 T CA 1.309 63.437 62.100 0.047 0.000 1.116 660 T CB -0.193 68.695 68.868 0.033 0.000 0.878 660 T HN 0.476 nan 8.240 nan 0.000 0.509 661 T N 0.981 115.569 114.554 0.056 0.000 2.902 661 T HA 0.474 4.824 4.350 -0.001 0.000 0.283 661 T C -0.906 173.862 174.700 0.115 0.000 1.009 661 T CA -0.969 61.178 62.100 0.078 0.000 1.051 661 T CB 0.299 69.191 68.868 0.040 0.000 0.999 661 T HN 0.138 nan 8.240 nan 0.000 0.474 662 F N 4.625 124.582 119.950 0.011 0.000 2.506 662 F HA 0.489 5.015 4.527 -0.001 0.000 0.371 662 F C 0.299 176.105 175.800 0.010 0.000 1.078 662 F CA -0.318 57.693 58.000 0.018 0.000 1.195 662 F CB 0.353 39.366 39.000 0.022 0.000 1.099 662 F HN 0.399 nan 8.300 nan 0.000 0.548 663 S N 7.582 122.893 115.700 -0.649 0.000 2.498 663 S HA 0.503 4.972 4.470 -0.001 0.000 0.317 663 S C -1.683 172.411 174.600 -0.844 0.000 1.090 663 S CA -1.370 56.440 58.200 -0.650 0.000 1.089 663 S CB 1.285 64.292 63.200 -0.322 0.000 0.997 663 S HN 0.559 nan 8.310 nan 0.000 0.470 664 P HA 0.187 nan 4.420 nan 0.000 0.222 664 P C 0.293 177.493 177.300 -0.166 0.000 1.153 664 P CA 0.256 63.115 63.100 -0.400 0.000 0.798 664 P CB -0.109 31.464 31.700 -0.211 0.000 0.796 665 A N 0.870 123.585 122.820 -0.175 0.000 2.586 665 A HA -0.065 4.255 4.320 -0.001 0.000 0.231 665 A C 0.619 178.172 177.584 -0.051 0.000 1.055 665 A CA -0.026 51.950 52.037 -0.101 0.000 0.756 665 A CB -0.417 18.508 19.000 -0.125 0.000 0.988 665 A HN 0.091 nan 8.150 nan 0.000 0.509 666 K N 0.831 121.232 120.400 0.003 0.000 2.524 666 K HA 0.012 4.332 4.320 -0.001 0.000 0.279 666 K C -0.732 175.902 176.600 0.056 0.000 0.993 666 K CA 0.257 56.588 56.287 0.073 0.000 1.030 666 K CB 0.041 32.596 32.500 0.091 0.000 0.891 666 K HN 0.485 nan 8.250 nan 0.000 0.488 667 F N 3.016 122.970 119.950 0.007 0.000 2.467 667 F HA 0.216 4.743 4.527 -0.001 0.000 0.362 667 F C 0.704 176.430 175.800 -0.124 0.000 1.090 667 F CA 0.602 58.546 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 0.512 177.982 177.584 -0.190 0.000 1.298 668 A CA 0.081 52.078 52.037 -0.067 0.000 1.008 668 A CB -0.074 18.915 19.000 -0.019 0.000 1.217 668 A HN 0.489 nan 8.150 nan 0.000 0.553 669 S N 0.720 116.179 115.700 -0.402 0.000 2.411 669 S HA 0.640 5.109 4.470 -0.001 0.000 0.304 669 S C -0.976 173.510 174.600 -0.190 0.000 1.098 669 S CA -0.251 57.821 58.200 -0.213 0.000 1.068 669 S CB -0.619 62.450 63.200 -0.219 0.000 1.032 669 S HN 0.201 nan 8.310 nan 0.000 0.511 670 F N 3.367 123.454 119.950 0.228 0.000 2.579 670 F HA 0.554 5.081 4.527 -0.001 0.000 0.324 670 F C 0.418 176.306 175.800 0.147 0.000 1.058 670 F CA -1.195 56.931 58.000 0.209 0.000 0.944 670 F CB 1.308 40.462 39.000 0.256 0.000 1.245 670 F HN 0.296 nan 8.300 nan 0.000 0.477 671 I N 1.791 122.567 120.570 0.343 0.000 2.416 671 I HA 0.117 4.287 4.170 -0.001 0.000 0.288 671 I C 0.291 176.530 176.117 0.203 0.000 1.051 671 I CA -0.390 61.036 61.300 0.209 0.000 1.375 671 I CB 0.923 39.012 38.000 0.149 0.000 1.407 671 I HN 0.593 nan 8.210 nan 0.000 0.516 672 T N 4.395 119.038 114.554 0.149 0.000 2.834 672 T HA 0.408 4.758 4.350 -0.001 0.000 0.298 672 T C -0.368 174.398 174.700 0.111 0.000 0.966 672 T CA -0.603 61.566 62.100 0.114 0.000 1.141 672 T CB 0.913 69.826 68.868 0.074 0.000 0.905 672 T HN 0.745 nan 8.240 nan 0.000 0.535 673 Q N 2.049 121.916 119.800 0.112 0.000 2.527 673 Q HA 0.540 4.879 4.340 -0.001 0.000 0.280 673 Q C -1.709 174.381 176.000 0.151 0.000 0.977 673 Q CA -1.346 54.532 55.803 0.124 0.000 0.837 673 Q CB 1.232 30.002 28.738 0.053 0.000 1.454 673 Q HN 0.869 nan 8.270 nan 0.000 0.387 674 Y N -1.018 119.262 120.300 -0.033 0.000 2.633 674 Y HA 0.891 5.440 4.550 -0.001 0.000 0.339 674 Y C -0.790 175.099 175.900 -0.017 0.000 1.045 674 Y CA -0.719 57.356 58.100 -0.042 0.000 1.098 674 Y CB 1.978 40.396 38.460 -0.071 0.000 1.296 674 Y HN 0.871 nan 8.280 nan 0.000 0.494 675 S N 0.340 116.021 115.700 -0.032 0.000 2.599 675 S HA 0.814 5.283 4.470 -0.001 0.000 0.294 675 S C -0.875 173.666 174.600 -0.098 0.000 1.094 675 S CA -0.452 57.691 58.200 -0.095 0.000 0.931 675 S CB 1.853 65.131 63.200 0.131 0.000 1.093 675 S HN 1.113 nan 8.310 nan 0.000 0.488 676 T N -0.317 113.993 114.554 -0.407 0.000 2.932 676 T HA 0.762 5.111 4.350 -0.001 0.000 0.318 676 T C -0.326 173.672 174.700 -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 1.687 nan 8.240 nan 0.000 0.484 677 G N 2.128 109.775 108.800 -1.921 0.000 2.489 677 G HA2 0.552 4.511 3.960 -0.001 0.000 0.305 677 G HA3 0.552 4.511 3.960 -0.001 0.000 0.305 677 G C -1.987 172.224 174.900 -1.148 0.000 1.311 677 G CA -0.667 43.730 45.100 -1.172 0.000 0.813 677 G HN 0.746 nan 8.290 nan 0.000 0.480 678 Q N -1.273 118.187 119.800 -0.567 0.000 2.215 678 Q HA 0.733 5.073 4.340 -0.001 0.000 0.256 678 Q C -0.586 175.221 176.000 -0.322 0.000 0.972 678 Q CA -0.707 54.813 55.803 -0.473 0.000 0.889 678 Q CB 2.397 30.732 28.738 -0.671 0.000 1.281 678 Q HN 0.786 nan 8.270 nan 0.000 0.456 679 V N 0.289 120.142 119.914 -0.102 0.000 2.709 679 V HA 0.798 4.918 4.120 -0.001 0.000 0.308 679 V C -1.413 174.589 176.094 -0.154 0.000 1.062 679 V CA -0.290 61.912 62.300 -0.163 0.000 0.901 679 V CB 2.267 34.099 31.823 0.015 0.000 1.003 679 V HN 0.696 nan 8.190 nan 0.000 0.425 680 S N 4.145 119.760 115.700 -0.142 0.000 2.526 680 S HA 0.878 5.348 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 -0.092 0.000 0.980 680 S CB 1.709 64.971 63.200 0.104 0.000 1.048 680 S HN 0.852 nan 8.310 nan 0.000 0.483 681 V N 4.373 124.188 119.914 -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 1.591 33.212 31.823 -0.337 0.000 1.004 681 V HN 0.897 nan 8.190 nan 0.000 0.426 682 E N 5.343 125.496 120.200 -0.080 0.000 2.145 682 E HA 0.665 5.014 4.350 -0.001 0.000 0.270 682 E C -1.459 175.089 176.600 -0.087 0.000 0.906 682 E CA -0.509 55.847 56.400 -0.073 0.000 0.761 682 E CB 1.466 31.104 29.700 -0.104 0.000 1.116 682 E HN 0.659 nan 8.360 nan 0.000 0.408 683 I N 3.393 123.901 120.570 -0.104 0.000 2.509 683 I HA 0.284 4.454 4.170 -0.001 0.000 0.293 683 I C -0.241 175.668 176.117 -0.347 0.000 1.020 683 I CA -0.818 60.320 61.300 -0.270 0.000 1.088 683 I CB 2.082 39.810 38.000 -0.453 0.000 1.267 683 I HN 0.538 nan 8.210 nan 0.000 0.430 684 E N 5.391 125.336 120.200 -0.424 0.000 2.175 684 E HA 0.353 4.703 4.350 -0.001 0.000 0.278 684 E C -1.945 174.386 176.600 -0.448 0.000 0.969 684 E CA -0.616 55.609 56.400 -0.292 0.000 0.796 684 E CB 1.200 30.798 29.700 -0.169 0.000 1.104 684 E HN 0.393 nan 8.360 nan 0.000 0.395 685 W N 2.886 124.142 121.300 -0.073 0.000 2.587 685 W HA 0.305 4.965 4.660 -0.001 0.000 0.324 685 W C -0.091 176.465 176.519 0.063 0.000 1.040 685 W CA -0.756 56.592 57.345 0.006 0.000 1.222 685 W CB 1.207 30.727 29.460 0.101 0.000 1.381 685 W HN 0.462 nan 8.180 nan 0.000 0.483 686 E N 3.352 123.732 120.200 0.300 0.000 2.227 686 E HA 0.464 4.813 4.350 -0.001 0.000 0.282 686 E C -0.987 175.959 176.600 0.577 0.000 1.015 686 E CA -0.400 56.201 56.400 0.335 0.000 0.823 686 E CB 0.773 30.611 29.700 0.230 0.000 1.081 686 E HN 0.458 nan 8.360 nan 0.000 0.396 687 L N 3.678 125.178 121.223 0.462 0.000 2.325 687 L HA 0.361 4.701 4.340 -0.001 0.000 0.278 687 L C -0.062 176.919 176.870 0.185 0.000 1.023 687 L CA -0.742 54.344 54.840 0.409 0.000 0.811 687 L CB 1.673 43.906 42.059 0.292 0.000 1.249 687 L HN 0.548 nan 8.230 nan 0.000 0.431 688 Q N 3.217 122.992 119.800 -0.041 0.000 2.368 688 Q HA 0.227 4.566 4.340 -0.001 0.000 0.256 688 Q C -0.820 175.111 176.000 -0.117 0.000 0.980 688 Q CA -0.780 54.824 55.803 -0.332 0.000 0.887 688 Q CB 1.119 29.419 28.738 -0.730 0.000 1.221 688 Q HN 0.341 nan 8.270 nan 0.000 0.458 689 K N 2.329 122.636 120.400 -0.155 0.000 2.258 689 K HA 0.065 4.385 4.320 -0.001 0.000 0.264 689 K C -0.160 176.145 176.600 -0.492 0.000 1.007 689 K CA -0.090 56.067 56.287 -0.217 0.000 0.941 689 K CB 0.928 33.322 32.500 -0.176 0.000 0.966 689 K HN 0.674 nan 8.250 nan 0.000 0.480 690 E N 2.219 122.036 120.200 -0.638 0.000 2.316 690 E HA -0.034 4.316 4.350 -0.001 0.000 0.275 690 E C -0.879 175.119 176.600 -1.004 0.000 1.029 690 E CA -0.004 55.608 56.400 -1.314 0.000 0.871 690 E CB 0.445 29.571 29.700 -0.957 0.000 1.022 690 E HN 0.412 nan 8.360 nan 0.000 0.418 691 N N 2.985 120.984 118.700 -1.168 0.000 2.750 691 N HA 0.100 4.839 4.740 -0.001 0.000 0.253 691 N C -1.921 173.470 175.510 -0.199 0.000 1.408 691 N CA -0.282 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 1.036 116.644 115.700 -0.152 0.000 2.503 692 S HA 0.462 4.931 4.470 -0.001 0.000 0.301 692 S C 0.174 174.803 174.600 0.048 0.000 1.087 692 S CA -0.591 57.658 58.200 0.081 0.000 1.042 692 S CB 0.700 64.026 63.200 0.210 0.000 1.043 692 S HN 0.302 nan 8.310 nan 0.000 0.489 693 K N 2.154 122.609 120.400 0.092 0.000 2.440 693 K HA 0.150 4.470 4.320 -0.001 0.000 0.206 693 K C 0.268 176.950 176.600 0.137 0.000 1.025 693 K CA -0.249 56.095 56.287 0.095 0.000 1.135 693 K CB -0.063 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 0.986 121.567 120.500 0.135 0.000 2.502 694 R HA -0.110 4.230 4.340 -0.001 0.000 0.292 694 R C 1.070 177.471 176.300 0.168 0.000 0.998 694 R CA 0.246 56.439 56.100 0.154 0.000 1.056 694 R CB 0.039 30.422 30.300 0.138 0.000 0.939 694 R HN 0.287 nan 8.270 nan 0.000 0.411 695 W N 5.811 127.130 121.300 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 0.952 58.310 57.345 0.021 0.000 1.327 695 W CB -0.115 29.356 29.460 0.018 0.000 1.128 695 W HN 0.748 nan 8.180 nan 0.000 0.522 696 N N 1.947 120.761 118.700 0.190 0.000 2.503 696 N HA 0.147 4.886 4.740 -0.001 0.000 0.267 696 N C -2.738 172.778 175.510 0.011 0.000 1.214 696 N CA -1.298 51.802 53.050 0.084 0.000 0.959 696 N CB -0.392 38.191 38.487 0.160 0.000 1.142 696 N HN -0.133 nan 8.380 nan 0.000 0.455 697 P HA 0.059 nan 4.420 nan 0.000 0.267 697 P C -0.244 177.077 177.300 0.035 0.000 1.200 697 P CA 0.314 63.408 63.100 -0.010 0.000 0.772 697 P CB 0.550 32.241 31.700 -0.014 0.000 0.855 698 E N 1.212 121.441 120.200 0.050 0.000 2.254 698 E HA 0.381 4.731 4.350 -0.001 0.000 0.261 698 E C 0.234 176.891 176.600 0.093 0.000 1.051 698 E CA -1.056 55.394 56.400 0.084 0.000 0.902 698 E CB 0.922 30.692 29.700 0.117 0.000 1.168 698 E HN 0.441 nan 8.360 nan 0.000 0.423 699 I N -0.952 119.685 120.570 0.113 0.000 2.529 699 I HA 0.155 4.324 4.170 -0.001 0.000 0.284 699 I C -0.349 175.926 176.117 0.264 0.000 1.082 699 I CA -0.364 61.022 61.300 0.142 0.000 1.406 699 I CB 0.535 38.592 38.000 0.094 0.000 1.405 699 I HN 0.181 nan 8.210 nan 0.000 0.548 700 Q N 4.875 124.834 119.800 0.265 0.000 2.387 700 Q HA 0.306 4.646 4.340 -0.001 0.000 0.273 700 Q C -1.343 174.843 176.000 0.310 0.000 1.089 700 Q CA -0.807 55.158 55.803 0.270 0.000 0.824 700 Q CB 2.670 31.472 28.738 0.106 0.000 1.367 700 Q HN 0.796 nan 8.270 nan 0.000 0.443 701 Y N 0.833 121.087 120.300 -0.077 0.000 2.346 701 Y HA 0.300 4.850 4.550 -0.001 0.000 0.330 701 Y C -0.117 175.787 175.900 0.007 0.000 1.178 701 Y CA 0.849 58.908 58.100 -0.069 0.000 1.331 701 Y CB 0.970 39.168 38.460 -0.437 0.000 1.253 701 Y HN 0.620 nan 8.280 nan 0.000 0.529 702 T N 3.610 117.799 114.554 -0.608 0.000 2.840 702 T HA 0.444 4.793 4.350 -0.001 0.000 0.317 702 T C -1.223 173.238 174.700 -0.398 0.000 1.401 702 T CA -0.746 61.178 62.100 -0.293 0.000 1.028 702 T CB 0.844 69.659 68.868 -0.088 0.000 1.317 702 T HN 0.625 nan 8.240 nan 0.000 0.495 703 S N 1.860 117.507 115.700 -0.088 0.000 2.632 703 S HA 0.407 4.877 4.470 -0.001 0.000 0.271 703 S C 0.054 174.674 174.600 0.034 0.000 1.260 703 S CA -0.699 57.502 58.200 0.002 0.000 1.010 703 S CB 0.282 63.550 63.200 0.112 0.000 0.965 703 S HN 0.732 nan 8.310 nan 0.000 0.534 704 N N 1.714 120.430 118.700 0.027 0.000 2.416 704 N HA 0.072 4.812 4.740 -0.001 0.000 0.265 704 N C 0.608 176.130 175.510 0.019 0.000 1.195 704 N CA -0.155 52.902 53.050 0.011 0.000 0.943 704 N CB 0.183 38.637 38.487 -0.056 0.000 1.115 704 N HN 0.738 nan 8.380 nan 0.000 0.481 705 Y N 1.012 121.312 120.300 -0.000 0.000 2.574 705 Y HA 0.050 4.600 4.550 -0.001 0.000 0.294 705 Y C 0.063 175.967 175.900 0.007 0.000 1.142 705 Y CA -0.407 57.697 58.100 0.006 0.000 1.314 705 Y CB -0.235 38.227 38.460 0.003 0.000 0.991 705 Y HN 0.314 nan 8.280 nan 0.000 0.555 706 N N 2.824 121.155 118.700 -0.615 0.000 2.441 706 N HA -0.064 4.675 4.740 -0.001 0.000 0.251 706 N C -0.365 175.025 175.510 -0.200 0.000 1.242 706 N CA -0.000 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 -0.138 0.000 2.437 707 K HA -0.036 4.284 4.320 -0.001 0.000 0.277 707 K C -0.222 176.338 176.600 -0.067 0.000 1.073 707 K CA 0.422 56.667 56.287 -0.069 0.000 1.105 707 K CB 0.168 32.639 32.500 -0.048 0.000 0.881 707 K HN 0.441 nan 8.250 nan 0.000 0.475 708 S N 2.746 118.419 115.700 -0.046 0.000 2.634 708 S HA 0.352 4.821 4.470 -0.001 0.000 0.296 708 S C 0.860 175.443 174.600 -0.030 0.000 1.104 708 S CA -1.044 57.130 58.200 -0.042 0.000 0.920 708 S CB 1.570 64.747 63.200 -0.039 0.000 1.111 708 S HN 0.359 nan 8.310 nan 0.000 0.493 709 V N 2.709 122.603 119.914 -0.033 0.000 2.238 709 V HA 0.022 4.142 4.120 -0.001 0.000 0.235 709 V C 0.721 176.799 176.094 -0.026 0.000 1.037 709 V CA 1.385 63.667 62.300 -0.030 0.000 0.991 709 V CB -0.831 30.970 31.823 -0.036 0.000 0.638 709 V HN 0.825 nan 8.190 nan 0.000 0.457 710 N N -0.749 117.931 118.700 -0.034 0.000 2.466 710 N HA 0.479 5.219 4.740 -0.001 0.000 0.294 710 N C -1.032 174.465 175.510 -0.023 0.000 1.129 710 N CA -0.613 52.417 53.050 -0.033 0.000 0.931 710 N CB 2.061 40.514 38.487 -0.056 0.000 1.193 710 N HN 0.079 nan 8.380 nan 0.000 0.500 711 V N 1.392 121.304 119.914 -0.003 0.000 2.583 711 V HA 0.042 4.162 4.120 -0.001 0.000 0.287 711 V C -0.071 176.040 176.094 0.029 0.000 1.051 711 V CA -0.400 61.918 62.300 0.031 0.000 1.010 711 V CB 0.830 32.691 31.823 0.062 0.000 0.988 711 V HN 0.610 nan 8.190 nan 0.000 0.478 712 D N 4.247 124.687 120.400 0.068 0.000 2.493 712 D HA 0.183 4.823 4.640 -0.001 0.000 0.240 712 D C 0.109 176.543 176.300 0.223 0.000 1.142 712 D CA 0.596 54.637 54.000 0.069 0.000 0.872 712 D CB -0.050 40.877 40.800 0.211 0.000 1.173 712 D HN 0.476 nan 8.370 nan 0.000 0.467 713 F N -0.150 119.762 119.950 -0.064 0.000 2.781 713 F HA -0.263 4.264 4.527 -0.001 0.000 0.350 713 F C 0.322 176.149 175.800 0.046 0.000 1.048 713 F CA 0.344 58.289 58.000 -0.092 0.000 1.134 713 F CB -1.765 37.297 39.000 0.103 0.000 1.440 713 F HN 0.162 nan 8.300 nan 0.000 0.799 714 T N -0.838 113.680 114.554 -0.060 0.000 2.792 714 T HA 0.686 5.036 4.350 -0.001 0.000 0.303 714 T C -0.180 174.471 174.700 -0.081 0.000 1.310 714 T CA -0.427 61.715 62.100 0.070 0.000 1.007 714 T CB 2.146 71.049 68.868 0.060 0.000 1.335 714 T HN 0.363 nan 8.240 nan 0.000 0.504 715 V N 0.385 120.256 119.914 -0.071 0.000 2.953 715 V HA 0.705 4.825 4.120 -0.001 0.000 0.304 715 V C 0.038 176.084 176.094 -0.080 0.000 1.073 715 V CA -0.630 61.593 62.300 -0.127 0.000 1.064 715 V CB 0.646 32.368 31.823 -0.168 0.000 1.047 715 V HN 0.990 nan 8.190 nan 0.000 0.478 716 D N 0.997 121.350 120.400 -0.077 0.000 2.589 716 D HA 0.293 4.932 4.640 -0.001 0.000 0.268 716 D C 1.420 177.699 176.300 -0.036 0.000 1.182 716 D CA 0.256 54.221 54.000 -0.057 0.000 1.087 716 D CB -0.007 40.752 40.800 -0.067 0.000 1.186 716 D HN 0.670 nan 8.370 nan 0.000 0.620 717 T N -2.147 112.389 114.554 -0.030 0.000 2.737 717 T HA -0.243 4.107 4.350 -0.001 0.000 0.269 717 T C 0.827 175.517 174.700 -0.015 0.000 1.040 717 T CA 1.667 63.755 62.100 -0.019 0.000 1.142 717 T CB -0.977 67.880 68.868 -0.019 0.000 0.861 717 T HN 0.605 nan 8.240 nan 0.000 0.456 718 N N 0.861 119.549 118.700 -0.019 0.000 2.380 718 N HA 0.440 5.180 4.740 -0.001 0.000 0.255 718 N C 0.688 176.190 175.510 -0.013 0.000 1.158 718 N CA -0.085 52.957 53.050 -0.013 0.000 0.878 718 N CB 0.083 38.563 38.487 -0.013 0.000 1.138 718 N HN 0.576 nan 8.380 nan 0.000 0.509 719 G N 0.019 108.808 108.800 -0.019 0.000 2.381 719 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.281 719 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.281 719 G C -0.761 174.123 174.900 -0.028 0.000 0.984 719 G CA 0.132 45.219 45.100 -0.021 0.000 1.339 719 G HN 0.355 nan 8.290 nan 0.000 0.485 720 V N 2.852 122.734 119.914 -0.054 0.000 2.532 720 V HA 0.365 4.485 4.120 -0.001 0.000 0.294 720 V C -0.039 176.005 176.094 -0.084 0.000 1.036 720 V CA -1.329 60.943 62.300 -0.047 0.000 0.876 720 V CB 1.515 33.314 31.823 -0.040 0.000 1.012 720 V HN 0.609 nan 8.190 nan 0.000 0.432 721 Y N 4.512 124.669 120.300 -0.238 0.000 2.511 721 Y HA 0.491 5.041 4.550 -0.001 0.000 0.332 721 Y C 0.687 176.488 175.900 -0.165 0.000 1.177 721 Y CA 0.309 58.232 58.100 -0.294 0.000 1.422 721 Y CB 1.056 39.276 38.460 -0.401 0.000 1.271 721 Y HN 0.734 nan 8.280 nan 0.000 0.550 722 S N 4.401 119.591 115.700 -0.850 0.000 2.572 722 S HA 0.442 4.911 4.470 -0.001 0.000 0.274 722 S C -1.599 172.501 174.600 -0.834 0.000 1.150 722 S CA -1.189 56.627 58.200 -0.640 0.000 0.944 722 S CB 1.372 64.346 63.200 -0.376 0.000 1.071 722 S HN 0.683 nan 8.310 nan 0.000 0.479 723 E N 2.998 122.812 120.200 -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 0.736 30.283 29.700 -0.255 0.000 1.078 723 E HN 0.369 nan 8.360 nan 0.000 0.396 724 P HA -0.168 nan 4.420 nan 0.000 0.214 724 P C -0.010 177.125 177.300 -0.275 0.000 1.162 724 P CA 1.321 64.120 63.100 -0.502 0.000 0.879 724 P CB 0.227 31.633 31.700 -0.490 0.000 0.786 725 R N -2.015 118.366 120.500 -0.199 0.000 2.808 725 R HA 0.589 4.929 4.340 -0.001 0.000 0.272 725 R C -3.217 173.133 176.300 0.083 0.000 0.995 725 R CA -2.368 53.735 56.100 0.005 0.000 0.917 725 R CB 0.433 30.802 30.300 0.114 0.000 1.217 725 R HN -0.230 nan 8.270 nan 0.000 0.471 726 P HA 0.171 nan 4.420 nan 0.000 0.271 726 P C -0.596 176.833 177.300 0.214 0.000 1.216 726 P CA -0.259 62.867 63.100 0.044 0.000 0.771 726 P CB 0.482 32.177 31.700 -0.008 0.000 0.864 727 I N 2.690 123.408 120.570 0.247 0.000 2.339 727 I HA 0.310 4.479 4.170 -0.001 0.000 0.290 727 I C 1.272 177.747 176.117 0.596 0.000 0.994 727 I CA -0.265 61.242 61.300 0.345 0.000 1.191 727 I CB 0.855 38.910 38.000 0.091 0.000 1.343 727 I HN 0.415 nan 8.210 nan 0.000 0.458 728 G N 3.629 112.814 108.800 0.641 0.000 2.468 728 G HA2 0.243 4.203 3.960 -0.001 0.000 0.264 728 G HA3 0.243 4.203 3.960 -0.001 0.000 0.264 728 G C 0.511 175.637 174.900 0.378 0.000 1.460 728 G CA 0.302 45.683 45.100 0.468 0.000 1.060 728 G HN 0.572 nan 8.290 nan 0.000 0.543 729 T N -1.615 113.092 114.554 0.255 0.000 3.073 729 T HA 0.170 4.520 4.350 -0.001 0.000 0.264 729 T C 0.797 175.636 174.700 0.231 0.000 0.893 729 T CA -0.283 61.914 62.100 0.161 0.000 0.863 729 T CB 0.108 69.038 68.868 0.103 0.000 1.247 729 T HN 0.320 nan 8.240 nan 0.000 0.546 730 R N 1.290 121.915 120.500 0.209 0.000 2.825 730 R HA 0.341 4.681 4.340 -0.001 0.000 0.261 730 R C -0.347 176.005 176.300 0.087 0.000 1.341 730 R CA -0.168 55.978 56.100 0.077 0.000 1.353 730 R CB 0.199 30.442 30.300 -0.094 0.000 1.191 730 R HN 0.337 nan 8.270 nan 0.000 0.590 731 Y N 0.217 120.543 120.300 0.044 0.000 2.559 731 Y HA 0.181 4.731 4.550 -0.001 0.000 0.279 731 Y C 0.953 176.903 175.900 0.084 0.000 1.117 731 Y CA 0.018 58.162 58.100 0.073 0.000 1.263 731 Y CB 0.583 39.098 38.460 0.092 0.000 1.230 731 Y HN 0.210 nan 8.280 nan 0.000 0.528 732 L N 0.841 122.229 121.223 0.274 0.000 2.439 732 L HA 0.320 4.660 4.340 -0.001 0.000 0.261 732 L C 0.443 177.388 176.870 0.125 0.000 1.153 732 L CA -0.398 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 -0.032 114.589 114.554 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 -0.195 0.000 0.999 733 T CA -0.898 61.182 62.100 -0.032 0.000 0.983 733 T CB 2.209 71.106 68.868 0.048 0.000 0.968 733 T HN 0.643 nan 8.240 nan 0.000 0.446 734 R N 2.077 122.379 120.500 -0.330 0.000 2.854 734 R HA 0.511 4.851 4.340 -0.001 0.000 0.271 734 R C -0.882 175.372 176.300 -0.077 0.000 0.994 734 R CA -0.699 55.160 56.100 -0.401 0.000 0.945 734 R CB 1.396 31.072 30.300 -1.040 0.000 1.194 734 R HN 0.761 nan 8.270 nan 0.000 0.476 735 N N 1.032 119.724 118.700 -0.013 0.000 2.463 735 N HA 0.284 5.023 4.740 -0.001 0.000 0.270 735 N C -0.137 175.438 175.510 0.107 0.000 1.205 735 N CA -0.392 52.698 53.050 0.066 0.000 0.974 735 N CB 0.574 39.090 38.487 0.047 0.000 1.197 735 N HN 0.364 nan 8.380 nan 0.000 0.504 736 L N 0.000 121.254 121.223 0.052 0.000 2.949 736 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 736 L CA 0.000 54.793 54.840 -0.078 0.000 0.813 736 L CB 0.000 41.947 42.059 -0.186 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502