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_P DATA FIRST_RESID 217 DATA SEQUENCE GADGVGNSSG NWHCDSQWLG DRVITTSTRT WALPTYNNHL YKQISSQSGA DATA SEQUENCE SNDNHYFGYS TPWGYFDFNR FHCHFSPRDW QRLINNNWGF RPKKLSFKLF DATA SEQUENCE NIQVKEVTQN DGTTTIANNL TSTVQVFTDS EYQLPYVLGS AHQGCLPPFP DATA SEQUENCE ADVFMVPQYG YLTLNNGSQA VGRSSFYCLE YFPSQMLRTG NNFQFSYTFE DATA SEQUENCE DVPFHSSYAH SQSLDRLMNP LIDQYLYYLN RTQGTTSGTT NQSRLLFSQA DATA SEQUENCE GPQSMSLQAR NWLPGPCYRQ QRLSKTANDN NNSNFPWTAA SKYHLNGRDS DATA SEQUENCE LVNPGPAMAS HKDDEEKFFP MHGNLIFGKE GTTASNAELD NVMITDEEEI DATA SEQUENCE RTTNPVATEQ YGTVANNLQS SNTAPTTRTV NDQGALPGMV WQDRDVYLQG DATA SEQUENCE PIWAKIPHTD GHFHPSPLMG GFGLKHPPPQ IMIKNTPVPA NPPTTFSPAK DATA SEQUENCE FASFITQYST GQVSVEIEWE LQKENSKRWN PEIQYTSNYN KSVNVDFTVD DATA SEQUENCE TNGVYSEPRP IGTRYLTRNL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 217 G HA2 0.000 nan 3.960 nan 0.000 0.244 217 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 217 G C 0.000 174.926 174.900 0.044 0.000 0.946 217 G CA 0.000 45.116 45.100 0.026 0.000 0.502 218 A N 2.533 125.374 122.820 0.035 0.000 2.446 218 A HA 0.825 5.145 4.320 -0.001 0.000 0.282 218 A C -0.996 176.607 177.584 0.033 0.000 1.102 218 A CA -0.575 51.486 52.037 0.040 0.000 0.737 218 A CB 1.690 20.711 19.000 0.035 0.000 1.212 218 A HN 0.448 nan 8.150 nan 0.000 0.434 219 D N 0.603 121.026 120.400 0.038 0.000 2.808 219 D HA 0.703 5.343 4.640 -0.001 0.000 0.249 219 D C 0.700 177.019 176.300 0.031 0.000 1.151 219 D CA 0.220 54.239 54.000 0.031 0.000 1.089 219 D CB 1.416 42.235 40.800 0.032 0.000 1.295 219 D HN 0.670 nan 8.370 nan 0.000 0.631 220 G N -0.747 108.069 108.800 0.027 0.000 2.642 220 G HA2 0.433 4.392 3.960 -0.001 0.000 0.291 220 G HA3 0.433 4.392 3.960 -0.001 0.000 0.291 220 G C 0.882 175.797 174.900 0.024 0.000 1.345 220 G CA -0.298 44.816 45.100 0.023 0.000 1.043 220 G HN 0.205 nan 8.290 nan 0.000 0.528 221 V N 0.549 120.474 119.914 0.018 0.000 2.255 221 V HA 0.033 4.153 4.120 -0.001 0.000 0.243 221 V C 2.527 178.629 176.094 0.014 0.000 1.038 221 V CA 2.119 64.428 62.300 0.015 0.000 1.008 221 V CB -0.650 31.178 31.823 0.009 0.000 0.645 221 V HN 0.760 nan 8.190 nan 0.000 0.449 222 G N 0.749 109.556 108.800 0.011 0.000 3.474 222 G HA2 0.148 4.107 3.960 -0.001 0.000 0.269 222 G HA3 0.148 4.107 3.960 -0.001 0.000 0.269 222 G C -0.029 174.879 174.900 0.014 0.000 1.339 222 G CA 0.021 45.127 45.100 0.010 0.000 1.258 222 G HN 0.472 nan 8.290 nan 0.000 0.560 223 N N -0.015 118.697 118.700 0.020 0.000 2.519 223 N HA 0.266 5.005 4.740 -0.001 0.000 0.291 223 N C -0.058 175.475 175.510 0.038 0.000 1.107 223 N CA -0.524 52.541 53.050 0.025 0.000 0.904 223 N CB 1.403 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 1.542 117.268 115.700 0.043 0.000 2.549 224 S HA 0.085 4.554 4.470 -0.001 0.000 0.286 224 S C 0.834 175.479 174.600 0.076 0.000 1.314 224 S CA -0.224 58.018 58.200 0.070 0.000 1.062 224 S CB 0.665 63.910 63.200 0.075 0.000 0.865 224 S HN 0.611 nan 8.310 nan 0.000 0.498 225 S N 1.111 116.883 115.700 0.121 0.000 2.618 225 S HA 0.581 5.051 4.470 -0.001 0.000 0.242 225 S C 0.654 175.300 174.600 0.076 0.000 0.972 225 S CA -0.254 58.014 58.200 0.113 0.000 1.004 225 S CB -0.694 62.599 63.200 0.155 0.000 0.778 225 S HN 1.544 nan 8.310 nan 0.000 0.459 226 G N 0.362 109.171 108.800 0.015 0.000 2.328 226 G HA2 0.324 4.284 3.960 -0.001 0.000 0.299 226 G HA3 0.324 4.284 3.960 -0.001 0.000 0.299 226 G C -1.900 172.900 174.900 -0.166 0.000 1.435 226 G CA -1.072 43.852 45.100 -0.293 0.000 0.865 226 G HN 0.281 nan 8.290 nan 0.000 0.601 227 N N -1.030 117.483 118.700 -0.312 0.000 2.545 227 N HA 0.466 5.206 4.740 -0.001 0.000 0.289 227 N C -1.011 174.404 175.510 -0.158 0.000 1.279 227 N CA -0.849 52.094 53.050 -0.179 0.000 0.824 227 N CB 2.208 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 2.574 123.721 121.300 -0.254 0.000 2.367 228 W HA 0.190 4.850 4.660 -0.001 0.000 0.329 228 W C -1.057 175.292 176.519 -0.284 0.000 1.066 228 W CA 0.024 57.293 57.345 -0.126 0.000 1.435 228 W CB -0.085 29.345 29.460 -0.049 0.000 1.296 228 W HN 0.479 nan 8.180 nan 0.000 0.401 229 H N 5.319 124.294 119.070 -0.158 0.000 2.700 229 H HA 0.181 4.736 4.556 -0.001 0.000 0.269 229 H C -0.206 174.995 175.328 -0.211 0.000 1.222 229 H CA -0.216 55.762 56.048 -0.117 0.000 1.254 229 H CB 0.971 30.657 29.762 -0.126 0.000 1.413 229 H HN 0.166 nan 8.280 nan 0.000 0.507 230 C N 4.109 123.410 119.300 0.002 0.000 2.437 230 C HA 0.386 4.846 4.460 -0.001 0.000 0.307 230 C C -0.543 174.501 174.990 0.089 0.000 1.093 230 C CA -0.278 58.746 59.018 0.009 0.000 1.463 230 C CB -0.712 27.089 27.740 0.102 0.000 1.926 230 C HN 0.873 nan 8.230 nan 0.000 0.420 231 D N 1.919 122.346 120.400 0.046 0.000 2.665 231 D HA 0.712 5.352 4.640 -0.001 0.000 0.287 231 D C -1.288 175.013 176.300 0.002 0.000 1.266 231 D CA 0.179 54.208 54.000 0.048 0.000 0.830 231 D CB 2.296 43.135 40.800 0.066 0.000 1.356 231 D HN 0.594 nan 8.370 nan 0.000 0.437 232 S N 0.506 116.209 115.700 0.005 0.000 2.562 232 S HA 0.703 5.173 4.470 -0.001 0.000 0.274 232 S C -1.862 172.723 174.600 -0.026 0.000 1.160 232 S CA -0.811 57.347 58.200 -0.069 0.000 0.933 232 S CB 1.561 64.692 63.200 -0.115 0.000 1.100 232 S HN 0.422 nan 8.310 nan 0.000 0.468 233 Q N 1.422 121.161 119.800 -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 29.267 28.738 0.073 0.000 1.418 233 Q HN 0.743 nan 8.270 nan 0.000 0.411 234 W N 1.420 122.738 121.300 0.031 0.000 2.512 234 W HA 0.577 5.237 4.660 -0.001 0.000 0.335 234 W C -0.060 176.476 176.519 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 3.296 124.660 121.223 0.235 0.000 3.014 235 L HA 0.244 4.584 4.340 -0.001 0.000 0.263 235 L C 1.625 178.579 176.870 0.139 0.000 1.207 235 L CA 0.720 55.647 54.840 0.145 0.000 1.017 235 L CB -0.675 41.435 42.059 0.086 0.000 1.360 235 L HN 0.999 nan 8.230 nan 0.000 0.560 236 G N 1.048 109.963 108.800 0.191 0.000 2.451 236 G HA2 -0.434 3.526 3.960 -0.001 0.000 0.253 236 G HA3 -0.434 3.526 3.960 -0.001 0.000 0.253 236 G C 0.940 175.909 174.900 0.116 0.000 1.033 236 G CA 1.108 46.285 45.100 0.129 0.000 0.633 236 G HN 0.396 nan 8.290 nan 0.000 0.537 237 D N 0.022 120.493 120.400 0.118 0.000 2.449 237 D HA 0.225 4.865 4.640 -0.001 0.000 0.210 237 D C 1.099 177.489 176.300 0.150 0.000 1.094 237 D CA 0.938 55.004 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 -1.606 118.990 120.500 0.159 0.000 2.741 238 R HA 0.573 4.913 4.340 -0.001 0.000 0.276 238 R C -2.040 174.320 176.300 0.102 0.000 1.028 238 R CA -0.993 55.201 56.100 0.156 0.000 0.865 238 R CB 1.042 31.408 30.300 0.109 0.000 1.268 238 R HN -0.121 nan 8.270 nan 0.000 0.475 239 V N 1.666 121.602 119.914 0.037 0.000 2.760 239 V HA 0.594 4.713 4.120 -0.001 0.000 0.309 239 V C -1.601 174.442 176.094 -0.084 0.000 1.077 239 V CA -0.867 61.301 62.300 -0.219 0.000 0.910 239 V CB 1.939 33.318 31.823 -0.739 0.000 1.008 239 V HN 0.678 nan 8.190 nan 0.000 0.424 240 I N 5.718 126.190 120.570 -0.163 0.000 2.362 240 I HA 0.538 4.708 4.170 -0.001 0.000 0.289 240 I C 0.408 176.443 176.117 -0.137 0.000 0.994 240 I CA 0.017 61.266 61.300 -0.085 0.000 1.158 240 I CB 2.055 40.005 38.000 -0.082 0.000 1.315 240 I HN 0.792 nan 8.210 nan 0.000 0.451 241 T N 1.450 115.961 114.554 -0.071 0.000 2.771 241 T HA 0.723 5.073 4.350 -0.001 0.000 0.281 241 T C -0.124 174.554 174.700 -0.037 0.000 0.982 241 T CA -0.633 61.398 62.100 -0.115 0.000 0.978 241 T CB 1.018 69.756 68.868 -0.216 0.000 0.930 241 T HN 0.475 nan 8.240 nan 0.000 0.447 242 T N 2.445 116.972 114.554 -0.045 0.000 2.829 242 T HA 0.675 5.025 4.350 -0.001 0.000 0.280 242 T C -0.533 174.140 174.700 -0.045 0.000 0.999 242 T CA -0.807 61.269 62.100 -0.040 0.000 0.983 242 T CB 1.639 70.480 68.868 -0.045 0.000 0.968 242 T HN 0.701 nan 8.240 nan 0.000 0.446 243 S N 1.606 117.263 115.700 -0.072 0.000 2.619 243 S HA 0.661 5.131 4.470 -0.001 0.000 0.280 243 S C -0.904 173.563 174.600 -0.221 0.000 1.150 243 S CA -0.555 57.573 58.200 -0.119 0.000 0.978 243 S CB 0.974 64.123 63.200 -0.085 0.000 1.041 243 S HN 0.711 nan 8.310 nan 0.000 0.485 244 T N 5.430 119.736 114.554 -0.414 0.000 2.863 244 T HA 0.708 5.058 4.350 -0.001 0.000 0.285 244 T C -0.805 173.534 174.700 -0.602 0.000 1.009 244 T CA -0.946 60.746 62.100 -0.681 0.000 0.989 244 T CB 1.139 69.184 68.868 -1.372 0.000 1.004 244 T HN 0.486 nan 8.240 nan 0.000 0.455 245 R N 1.015 121.373 120.500 -0.236 0.000 2.774 245 R HA 0.604 4.943 4.340 -0.001 0.000 0.272 245 R C -0.920 175.567 176.300 0.311 0.000 1.000 245 R CA -0.811 55.398 56.100 0.182 0.000 0.906 245 R CB 1.650 32.145 30.300 0.326 0.000 1.227 245 R HN 0.574 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 4.893 4.350 -0.001 0.000 0.285 246 T C -0.295 174.473 174.700 0.114 0.000 0.984 246 T CA -0.560 61.636 62.100 0.159 0.000 1.049 246 T CB 0.640 69.564 68.868 0.093 0.000 0.947 246 T HN 0.462 nan 8.240 nan 0.000 0.472 247 W N 0.568 121.797 121.300 -0.119 0.000 2.864 247 W HA 0.820 5.480 4.660 -0.001 0.000 0.343 247 W C -1.443 174.900 176.519 -0.293 0.000 1.109 247 W CA -1.690 55.351 57.345 -0.508 0.000 1.192 247 W CB 1.352 30.500 29.460 -0.520 0.000 1.426 247 W HN 0.736 nan 8.180 nan 0.000 0.529 248 A N 2.948 125.766 122.820 -0.003 0.000 2.386 248 A HA 0.789 5.109 4.320 -0.001 0.000 0.311 248 A C -2.155 175.549 177.584 0.200 0.000 1.068 248 A CA -0.789 51.304 52.037 0.094 0.000 0.743 248 A CB 2.003 21.010 19.000 0.011 0.000 1.258 248 A HN 0.692 nan 8.150 nan 0.000 0.429 249 L N 3.677 125.069 121.223 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 53.385 54.840 0.169 0.000 0.836 249 L CB 2.127 44.313 42.059 0.211 0.000 1.238 249 L HN 0.451 nan 8.230 nan 0.000 0.408 250 P HA 0.382 nan 4.420 nan 0.000 0.312 250 P C -1.034 176.103 177.300 -0.271 0.000 1.308 250 P CA -0.384 62.577 63.100 -0.232 0.000 0.743 250 P CB 0.575 31.971 31.700 -0.508 0.000 1.364 251 T N 0.130 114.493 114.554 -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 -0.988 67.645 68.868 -0.391 0.000 1.036 251 T HN 0.108 nan 8.240 nan 0.000 0.502 252 Y N 2.147 122.347 120.300 -0.167 0.000 2.397 252 Y HA 0.124 4.674 4.550 -0.001 0.000 0.335 252 Y C 1.722 177.539 175.900 -0.139 0.000 1.213 252 Y CA 0.041 58.068 58.100 -0.120 0.000 1.391 252 Y CB 0.305 38.725 38.460 -0.068 0.000 1.293 252 Y HN 0.694 nan 8.280 nan 0.000 0.557 253 N N 1.726 120.484 118.700 0.096 0.000 2.690 253 N HA -0.411 4.328 4.740 -0.001 0.000 0.249 253 N C -0.192 175.309 175.510 -0.015 0.000 1.125 253 N CA 0.807 53.880 53.050 0.039 0.000 0.794 253 N CB -0.574 37.938 38.487 0.043 0.000 1.152 253 N HN 0.785 nan 8.380 nan 0.000 0.571 254 N N -0.064 118.565 118.700 -0.117 0.000 2.735 254 N HA -0.202 4.537 4.740 -0.001 0.000 0.248 254 N C -0.575 174.848 175.510 -0.147 0.000 1.083 254 N CA 2.028 54.974 53.050 -0.173 0.000 0.703 254 N CB -1.730 36.753 38.487 -0.007 0.000 1.005 254 N HN 0.764 nan 8.380 nan 0.000 0.550 255 H N -2.872 116.151 119.070 -0.078 0.000 2.899 255 H HA -0.189 4.367 4.556 -0.001 0.000 0.282 255 H C -0.180 175.148 175.328 0.000 0.000 1.198 255 H CA 1.126 57.094 56.048 -0.133 0.000 1.140 255 H CB -1.206 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 -0.154 176.809 176.870 0.156 0.000 1.002 256 L CA -1.010 53.946 54.840 0.193 0.000 0.818 256 L CB 1.215 43.382 42.059 0.180 0.000 1.298 256 L HN 0.029 nan 8.230 nan 0.000 0.420 257 Y N 2.241 122.685 120.300 0.239 0.000 2.404 257 Y HA 0.291 4.840 4.550 -0.001 0.000 0.344 257 Y C -0.004 176.038 175.900 0.235 0.000 0.995 257 Y CA -0.214 58.060 58.100 0.289 0.000 1.201 257 Y CB 0.836 39.533 38.460 0.395 0.000 1.151 257 Y HN 0.297 nan 8.280 nan 0.000 0.517 258 K N 3.003 123.584 120.400 0.300 0.000 2.292 258 K HA 0.244 4.563 4.320 -0.001 0.000 0.257 258 K C -0.685 176.000 176.600 0.142 0.000 0.940 258 K CA -1.025 55.373 56.287 0.184 0.000 0.811 258 K CB 1.876 34.429 32.500 0.089 0.000 1.120 258 K HN 0.591 nan 8.250 nan 0.000 0.428 259 Q N 4.763 124.588 119.800 0.040 0.000 2.296 259 Q HA 0.247 4.587 4.340 -0.001 0.000 0.262 259 Q C -0.646 175.117 176.000 -0.395 0.000 0.981 259 Q CA -0.307 55.291 55.803 -0.342 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 0.724 120.925 120.570 -0.616 0.000 2.740 260 I HA 0.821 4.991 4.170 -0.001 0.000 0.303 260 I C -0.654 175.061 176.117 -0.670 0.000 1.044 260 I CA -0.712 60.317 61.300 -0.453 0.000 1.064 260 I CB 2.331 40.174 38.000 -0.261 0.000 1.249 260 I HN 0.771 nan 8.210 nan 0.000 0.433 261 S N 2.166 117.540 115.700 -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 -0.653 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 57.624 58.200 0.006 0.000 1.022 262 S CB 0.554 63.904 63.200 0.250 0.000 0.940 262 S HN 0.751 nan 8.310 nan 0.000 0.525 263 Q N 1.584 121.431 119.800 0.078 0.000 2.286 263 Q HA 0.069 4.408 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 0.422 56.253 55.803 0.047 0.000 0.923 263 Q CB 0.451 29.205 28.738 0.028 0.000 1.183 263 Q HN 0.817 nan 8.270 nan 0.000 0.383 264 S N 3.097 118.827 115.700 0.050 0.000 2.945 264 S HA 0.129 4.598 4.470 -0.001 0.000 0.344 264 S C 0.835 175.471 174.600 0.060 0.000 1.066 264 S CA 0.667 58.901 58.200 0.057 0.000 1.721 264 S CB -0.931 62.286 63.200 0.029 0.000 1.330 264 S HN 0.820 nan 8.310 nan 0.000 0.623 265 G N 1.861 110.724 108.800 0.106 0.000 2.248 265 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.263 265 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.263 265 G C 0.590 175.500 174.900 0.017 0.000 1.082 265 G CA 0.086 45.233 45.100 0.079 0.000 0.863 265 G HN 0.897 nan 8.290 nan 0.000 0.495 266 A N -1.207 121.601 122.820 -0.019 0.000 1.924 266 A HA 0.766 5.085 4.320 -0.001 0.000 0.211 266 A C 1.313 178.830 177.584 -0.113 0.000 1.198 266 A CA 1.880 53.883 52.037 -0.055 0.000 0.657 266 A CB 0.491 19.466 19.000 -0.043 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 0.196 174.511 174.600 -0.476 0.000 1.150 267 S CA -0.314 57.729 58.200 -0.263 0.000 0.850 267 S CB 1.304 64.367 63.200 -0.229 0.000 1.118 267 S HN 0.464 nan 8.310 nan 0.000 0.461 268 N N 0.812 119.366 118.700 -0.243 0.000 2.508 268 N HA 0.008 4.748 4.740 -0.001 0.000 0.186 268 N C -0.020 175.515 175.510 0.040 0.000 1.034 268 N CA 0.297 53.316 53.050 -0.052 0.000 0.885 268 N CB 0.063 38.605 38.487 0.092 0.000 1.135 268 N HN 0.525 nan 8.380 nan 0.000 0.435 269 D N 0.644 121.039 120.400 -0.008 0.000 2.363 269 D HA 0.012 4.652 4.640 -0.001 0.000 0.226 269 D C 0.007 176.309 176.300 0.003 0.000 1.020 269 D CA 0.621 54.647 54.000 0.045 0.000 0.892 269 D CB -0.250 40.592 40.800 0.071 0.000 0.900 269 D HN 0.463 nan 8.370 nan 0.000 0.531 270 N N -0.587 118.074 118.700 -0.066 0.000 2.200 270 N HA -0.003 4.736 4.740 -0.001 0.000 0.224 270 N C -0.022 175.524 175.510 0.059 0.000 1.179 270 N CA -0.373 52.641 53.050 -0.060 0.000 0.877 270 N CB 0.710 39.110 38.487 -0.145 0.000 1.072 270 N HN 0.059 nan 8.380 nan 0.000 0.519 271 H N 1.311 120.466 119.070 0.141 0.000 2.928 271 H HA 0.027 4.582 4.556 -0.001 0.000 0.338 271 H C -0.469 175.042 175.328 0.306 0.000 1.047 271 H CA 0.652 56.820 56.048 0.200 0.000 1.435 271 H CB 0.176 30.003 29.762 0.108 0.000 1.428 271 H HN 0.290 nan 8.280 nan 0.000 0.590 272 Y N 1.383 121.806 120.300 0.206 0.000 2.656 272 Y HA 0.512 5.062 4.550 -0.001 0.000 0.334 272 Y C -2.160 173.859 175.900 0.198 0.000 1.179 272 Y CA -1.377 56.817 58.100 0.156 0.000 1.050 272 Y CB 1.514 40.022 38.460 0.080 0.000 1.308 272 Y HN 0.383 nan 8.280 nan 0.000 0.456 273 F N 1.154 121.034 119.950 -0.116 0.000 2.596 273 F HA 0.842 5.369 4.527 -0.001 0.000 0.311 273 F C -0.352 175.357 175.800 -0.150 0.000 1.116 273 F CA 0.002 57.845 58.000 -0.261 0.000 0.957 273 F CB 2.086 40.983 39.000 -0.172 0.000 1.250 273 F HN 1.076 nan 8.300 nan 0.000 0.444 274 G N 2.813 111.045 108.800 -0.945 0.000 2.500 274 G HA2 0.451 4.411 3.960 -0.001 0.000 0.299 274 G HA3 0.451 4.411 3.960 -0.001 0.000 0.299 274 G C -2.438 171.802 174.900 -1.099 0.000 1.242 274 G CA -0.598 44.083 45.100 -0.698 0.000 0.859 274 G HN 0.552 nan 8.290 nan 0.000 0.481 275 Y N -0.893 119.019 120.300 -0.647 0.000 2.581 275 Y HA 0.756 5.305 4.550 -0.001 0.000 0.345 275 Y C 0.143 175.831 175.900 -0.353 0.000 1.036 275 Y CA -0.768 57.073 58.100 -0.431 0.000 1.042 275 Y CB 2.656 41.008 38.460 -0.180 0.000 1.289 275 Y HN 0.557 nan 8.280 nan 0.000 0.471 276 S N 1.092 116.824 115.700 0.053 0.000 2.552 276 S HA 0.596 5.066 4.470 -0.001 0.000 0.314 276 S C -0.716 173.931 174.600 0.078 0.000 1.099 276 S CA -0.572 57.638 58.200 0.016 0.000 1.070 276 S CB 0.325 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 2.337 116.926 114.554 0.058 0.000 2.945 277 T HA 0.601 4.951 4.350 -0.001 0.000 0.286 277 T C -2.535 172.143 174.700 -0.037 0.000 1.025 277 T CA -2.098 59.954 62.100 -0.081 0.000 1.039 277 T CB 1.401 70.422 68.868 0.254 0.000 1.068 277 T HN 0.296 nan 8.240 nan 0.000 0.497 278 P HA 0.194 nan 4.420 nan 0.000 0.249 278 P C -0.861 176.431 177.300 -0.013 0.000 1.241 278 P CA -0.118 62.953 63.100 -0.049 0.000 0.781 278 P CB -0.177 31.448 31.700 -0.126 0.000 1.088 279 W N 0.423 121.731 121.300 0.014 0.000 2.438 279 W HA 0.569 5.229 4.660 -0.001 0.000 0.324 279 W C 1.041 177.580 176.519 0.032 0.000 1.119 279 W CA -0.081 57.292 57.345 0.046 0.000 1.221 279 W CB 0.984 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 1.127 110.056 108.800 0.214 0.000 2.557 280 G HA2 0.696 4.655 3.960 -0.001 0.000 0.302 280 G HA3 0.696 4.655 3.960 -0.001 0.000 0.302 280 G C -1.866 173.082 174.900 0.081 0.000 1.311 280 G CA -0.621 44.509 45.100 0.049 0.000 1.030 280 G HN 0.600 nan 8.290 nan 0.000 0.509 281 Y N -3.092 117.074 120.300 -0.224 0.000 2.641 281 Y HA 0.684 5.233 4.550 -0.001 0.000 0.333 281 Y C -1.831 173.890 175.900 -0.299 0.000 1.174 281 Y CA -2.086 55.865 58.100 -0.248 0.000 1.057 281 Y CB 0.951 39.282 38.460 -0.215 0.000 1.322 281 Y HN 0.389 nan 8.280 nan 0.000 0.457 282 F N 1.953 121.895 119.950 -0.013 0.000 2.404 282 F HA 0.502 5.028 4.527 -0.001 0.000 0.339 282 F C -0.169 175.672 175.800 0.068 0.000 1.105 282 F CA -0.000 58.029 58.000 0.048 0.000 1.087 282 F CB 1.440 40.539 39.000 0.166 0.000 1.143 282 F HN 0.586 nan 8.300 nan 0.000 0.491 283 D N 2.688 123.217 120.400 0.215 0.000 2.780 283 D HA 0.429 5.069 4.640 -0.001 0.000 0.242 283 D C -0.873 175.494 176.300 0.112 0.000 1.135 283 D CA -0.501 53.517 54.000 0.029 0.000 0.859 283 D CB 1.154 41.977 40.800 0.039 0.000 1.530 283 D HN 0.293 nan 8.370 nan 0.000 0.493 284 F N 1.059 121.104 119.950 0.158 0.000 2.608 284 F HA 0.390 4.917 4.527 -0.001 0.000 0.383 284 F C 0.247 176.126 175.800 0.132 0.000 1.371 284 F CA -0.825 57.254 58.000 0.131 0.000 1.123 284 F CB -0.918 38.237 39.000 0.258 0.000 1.207 284 F HN 0.273 nan 8.300 nan 0.000 0.512 285 N N 1.310 119.853 118.700 -0.263 0.000 2.375 285 N HA 0.181 4.920 4.740 -0.001 0.000 0.220 285 N C -0.194 175.109 175.510 -0.344 0.000 1.170 285 N CA -0.096 52.562 53.050 -0.653 0.000 0.833 285 N CB 0.258 38.160 38.487 -0.975 0.000 1.069 285 N HN 0.349 nan 8.380 nan 0.000 0.479 286 R N -0.539 119.859 120.500 -0.169 0.000 2.637 286 R HA 0.222 4.562 4.340 -0.001 0.000 0.291 286 R C 0.077 176.307 176.300 -0.117 0.000 0.963 286 R CA -0.643 55.319 56.100 -0.229 0.000 0.901 286 R CB 0.958 30.973 30.300 -0.475 0.000 1.160 286 R HN 0.121 nan 8.270 nan 0.000 0.457 287 F N 0.907 120.874 119.950 0.028 0.000 2.171 287 F HA -0.169 4.358 4.527 -0.001 0.000 0.300 287 F C 2.253 178.155 175.800 0.170 0.000 1.090 287 F CA 1.622 59.753 58.000 0.218 0.000 1.293 287 F CB -0.066 38.912 39.000 -0.036 0.000 1.013 287 F HN 0.715 nan 8.300 nan 0.000 0.486 288 H N -2.943 116.247 119.070 0.200 0.000 2.563 288 H HA -0.011 4.544 4.556 -0.001 0.000 0.272 288 H C 1.680 177.050 175.328 0.071 0.000 1.005 288 H CA 0.406 56.519 56.048 0.107 0.000 1.171 288 H CB -1.452 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 0.540 119.790 119.300 -0.082 0.000 2.448 289 C HA -0.003 4.457 4.460 -0.001 0.000 0.280 289 C C 1.734 176.481 174.990 -0.404 0.000 1.398 289 C CA 0.851 59.706 59.018 -0.272 0.000 1.774 289 C CB -0.632 26.805 27.740 -0.505 0.000 1.888 289 C HN 0.800 nan 8.230 nan 0.000 0.519 290 H N -2.930 116.239 119.070 0.164 0.000 2.545 290 H HA 0.225 4.780 4.556 -0.001 0.000 0.251 290 H C -0.040 175.212 175.328 -0.125 0.000 0.934 290 H CA 0.151 56.209 56.048 0.016 0.000 1.116 290 H CB -0.110 29.681 29.762 0.050 0.000 1.439 290 H HN 0.312 nan 8.280 nan 0.000 0.445 291 F N 3.497 123.601 119.950 0.256 0.000 2.411 291 F HA 0.209 4.736 4.527 -0.001 0.000 0.355 291 F C 1.107 176.993 175.800 0.144 0.000 1.117 291 F CA -0.805 57.309 58.000 0.189 0.000 1.139 291 F CB 1.082 40.262 39.000 0.300 0.000 1.120 291 F HN -0.019 nan 8.300 nan 0.000 0.493 292 S N 3.942 119.797 115.700 0.257 0.000 2.584 292 S HA 0.218 4.687 4.470 -0.001 0.000 0.270 292 S C -1.860 172.845 174.600 0.175 0.000 1.346 292 S CA -1.012 57.298 58.200 0.184 0.000 1.018 292 S CB 1.215 64.503 63.200 0.146 0.000 0.899 292 S HN 0.360 nan 8.310 nan 0.000 0.542 293 P HA -0.143 nan 4.420 nan 0.000 0.215 293 P C 1.736 179.022 177.300 -0.024 0.000 1.157 293 P CA 1.215 64.216 63.100 -0.165 0.000 0.874 293 P CB -0.058 31.405 31.700 -0.395 0.000 0.790 294 R N 0.399 120.929 120.500 0.051 0.000 2.103 294 R HA -0.164 4.176 4.340 -0.001 0.000 0.242 294 R C 1.774 178.151 176.300 0.127 0.000 1.142 294 R CA 1.999 58.147 56.100 0.080 0.000 0.960 294 R CB -1.657 28.703 30.300 0.101 0.000 0.858 294 R HN 0.120 nan 8.270 nan 0.000 0.439 295 D N -0.614 119.935 120.400 0.248 0.000 2.097 295 D HA -0.220 4.419 4.640 -0.001 0.000 0.195 295 D C 1.654 178.179 176.300 0.375 0.000 0.989 295 D CA 1.204 55.472 54.000 0.447 0.000 0.827 295 D CB -0.614 40.515 40.800 0.548 0.000 0.966 295 D HN 0.373 nan 8.370 nan 0.000 0.456 296 W N 2.042 123.373 121.300 0.051 0.000 2.325 296 W HA -0.242 4.418 4.660 -0.001 0.000 0.299 296 W C 2.155 178.522 176.519 -0.254 0.000 1.215 296 W CA 1.452 58.666 57.345 -0.217 0.000 1.244 296 W CB -0.096 29.192 29.460 -0.287 0.000 1.140 296 W HN 0.114 nan 8.180 nan 0.000 0.523 297 Q N 0.319 120.070 119.800 -0.083 0.000 2.084 297 Q HA -0.217 4.123 4.340 -0.001 0.000 0.202 297 Q C 2.387 178.255 176.000 -0.220 0.000 0.978 297 Q CA 1.826 57.516 55.803 -0.189 0.000 0.844 297 Q CB -0.198 28.498 28.738 -0.070 0.000 0.898 297 Q HN 0.266 nan 8.270 nan 0.000 0.426 298 R N 0.161 120.545 120.500 -0.194 0.000 2.081 298 R HA -0.125 4.215 4.340 -0.001 0.000 0.235 298 R C 2.479 178.562 176.300 -0.361 0.000 1.131 298 R CA 1.344 57.225 56.100 -0.366 0.000 0.960 298 R CB -0.482 29.414 30.300 -0.673 0.000 0.856 298 R HN 0.330 nan 8.270 nan 0.000 0.436 299 L N 0.787 121.886 121.223 -0.207 0.000 1.976 299 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 299 L C 2.146 178.800 176.870 -0.360 0.000 1.071 299 L CA 1.279 55.987 54.840 -0.220 0.000 0.746 299 L CB -0.197 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 0.629 120.866 120.570 -0.554 0.000 2.208 300 I HA -0.300 3.870 4.170 -0.001 0.000 0.245 300 I C 1.797 177.782 176.117 -0.221 0.000 1.097 300 I CA 1.462 62.480 61.300 -0.469 0.000 1.363 300 I CB -1.565 36.056 38.000 -0.631 0.000 1.051 300 I HN 0.434 nan 8.210 nan 0.000 0.413 301 N N 0.937 119.507 118.700 -0.216 0.000 2.398 301 N HA -0.025 4.714 4.740 -0.001 0.000 0.188 301 N C 0.873 176.349 175.510 -0.057 0.000 1.122 301 N CA 0.353 53.340 53.050 -0.104 0.000 0.866 301 N CB -0.027 38.391 38.487 -0.115 0.000 0.970 301 N HN 0.452 nan 8.380 nan 0.000 0.462 302 N N -0.233 118.422 118.700 -0.075 0.000 2.113 302 N HA 0.094 4.834 4.740 -0.001 0.000 0.223 302 N C -0.797 174.685 175.510 -0.046 0.000 1.310 302 N CA -0.052 52.949 53.050 -0.083 0.000 0.896 302 N CB 0.917 39.312 38.487 -0.154 0.000 1.097 302 N HN 0.111 nan 8.380 nan 0.000 0.507 303 N N -0.222 118.510 118.700 0.053 0.000 2.346 303 N HA 0.146 4.886 4.740 -0.001 0.000 0.289 303 N C 0.276 175.997 175.510 0.352 0.000 1.027 303 N CA -0.435 52.692 53.050 0.128 0.000 0.864 303 N CB 1.682 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 1.996 123.283 121.300 -0.021 0.000 2.341 304 W HA -0.130 4.530 4.660 -0.001 0.000 0.283 304 W C 1.091 177.643 176.519 0.055 0.000 1.215 304 W CA 0.229 57.548 57.345 -0.044 0.000 1.211 304 W CB 0.397 29.742 29.460 -0.190 0.000 1.131 304 W HN 0.616 nan 8.180 nan 0.000 0.552 305 G N -1.609 107.381 108.800 0.318 0.000 2.430 305 G HA2 0.432 4.392 3.960 -0.001 0.000 0.300 305 G HA3 0.432 4.392 3.960 -0.001 0.000 0.300 305 G C -1.780 173.474 174.900 0.589 0.000 1.330 305 G CA -0.572 44.743 45.100 0.359 0.000 0.813 305 G HN 0.128 nan 8.290 nan 0.000 0.487 306 F N -1.409 118.962 119.950 0.701 0.000 2.858 306 F HA 0.931 5.457 4.527 -0.001 0.000 0.319 306 F C -0.887 175.312 175.800 0.666 0.000 1.166 306 F CA -1.135 57.313 58.000 0.746 0.000 0.899 306 F CB 1.436 40.677 39.000 0.403 0.000 1.332 306 F HN 0.997 nan 8.300 nan 0.000 0.461 307 R N -0.039 120.784 120.500 0.539 0.000 2.728 307 R HA 0.725 5.064 4.340 -0.001 0.000 0.274 307 R C -3.642 172.627 176.300 -0.053 0.000 1.032 307 R CA -1.854 54.206 56.100 -0.067 0.000 0.866 307 R CB 1.742 31.719 30.300 -0.539 0.000 1.263 307 R HN 0.396 nan 8.270 nan 0.000 0.475 308 P HA 0.356 nan 4.420 nan 0.000 0.279 308 P C -0.767 176.025 177.300 -0.848 0.000 1.252 308 P CA -0.596 61.769 63.100 -1.225 0.000 0.811 308 P CB 1.220 31.592 31.700 -2.214 0.000 1.035 309 K N 0.530 120.529 120.400 -0.667 0.000 2.524 309 K HA 0.289 4.608 4.320 -0.001 0.000 0.210 309 K C 0.379 176.966 176.600 -0.022 0.000 1.340 309 K CA 0.806 56.939 56.287 -0.257 0.000 0.880 309 K CB 0.287 32.671 32.500 -0.194 0.000 1.616 309 K HN 0.360 nan 8.250 nan 0.000 0.457 310 K N 0.218 120.577 120.400 -0.067 0.000 2.378 310 K HA 0.567 4.886 4.320 -0.001 0.000 0.244 310 K C -1.344 175.288 176.600 0.053 0.000 1.039 310 K CA -0.954 55.323 56.287 -0.016 0.000 0.863 310 K CB 1.986 34.420 32.500 -0.110 0.000 1.326 310 K HN -0.071 nan 8.250 nan 0.000 0.460 311 L N -0.291 120.935 121.223 0.005 0.000 2.565 311 L HA 0.395 4.735 4.340 -0.001 0.000 0.261 311 L C -1.853 174.984 176.870 -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 44.565 42.059 0.139 0.000 1.333 311 L HN 0.513 nan 8.230 nan 0.000 0.409 312 S N 4.495 120.170 115.700 -0.041 0.000 2.605 312 S HA 0.654 5.124 4.470 -0.001 0.000 0.308 312 S C -1.248 173.390 174.600 0.064 0.000 1.113 312 S CA -0.287 57.889 58.200 -0.040 0.000 1.049 312 S CB 1.014 64.156 63.200 -0.097 0.000 1.001 312 S HN 0.497 nan 8.310 nan 0.000 0.480 313 F N 3.412 123.370 119.950 0.014 0.000 2.469 313 F HA 0.687 5.213 4.527 -0.001 0.000 0.332 313 F C -0.281 175.590 175.800 0.117 0.000 1.103 313 F CA -0.488 57.571 58.000 0.098 0.000 0.979 313 F CB 0.985 40.173 39.000 0.313 0.000 1.137 313 F HN 0.416 nan 8.300 nan 0.000 0.463 314 K N 7.289 127.316 120.400 -0.621 0.000 2.535 314 K HA 0.533 4.853 4.320 -0.001 0.000 0.251 314 K C -2.179 174.302 176.600 -0.198 0.000 0.942 314 K CA -0.606 55.547 56.287 -0.222 0.000 0.798 314 K CB 1.576 34.042 32.500 -0.057 0.000 1.267 314 K HN 0.773 nan 8.250 nan 0.000 0.434 315 L N 5.871 127.162 121.223 0.113 0.000 2.346 315 L HA 0.699 5.038 4.340 -0.001 0.000 0.276 315 L C -0.743 176.382 176.870 0.425 0.000 1.006 315 L CA -0.875 54.052 54.840 0.145 0.000 0.817 315 L CB 0.990 43.122 42.059 0.121 0.000 1.272 315 L HN 0.704 nan 8.230 nan 0.000 0.421 316 F N -0.634 119.420 119.950 0.173 0.000 2.877 316 F HA 0.367 4.893 4.527 -0.001 0.000 0.319 316 F C -0.165 175.705 175.800 0.116 0.000 1.174 316 F CA -1.468 56.610 58.000 0.129 0.000 0.903 316 F CB 1.079 40.121 39.000 0.070 0.000 1.357 316 F HN 0.484 nan 8.300 nan 0.000 0.472 317 N N 0.575 119.430 118.700 0.257 0.000 2.705 317 N HA -0.200 4.539 4.740 -0.001 0.000 0.255 317 N C -1.105 174.389 175.510 -0.027 0.000 1.008 317 N CA 0.521 53.633 53.050 0.103 0.000 0.742 317 N CB -1.069 37.484 38.487 0.109 0.000 0.906 317 N HN 0.488 nan 8.380 nan 0.000 0.541 318 I N 0.902 121.489 120.570 0.029 0.000 2.474 318 I HA 0.095 4.264 4.170 -0.001 0.000 0.287 318 I C 0.490 176.573 176.117 -0.057 0.000 1.048 318 I CA 0.117 61.414 61.300 -0.005 0.000 1.383 318 I CB 0.897 38.973 38.000 0.126 0.000 1.412 318 I HN 0.137 nan 8.210 nan 0.000 0.531 319 Q N 5.428 125.145 119.800 -0.139 0.000 2.285 319 Q HA 0.510 4.850 4.340 -0.001 0.000 0.269 319 Q C -1.402 174.483 176.000 -0.191 0.000 1.030 319 Q CA -0.759 54.955 55.803 -0.148 0.000 0.788 319 Q CB 3.138 31.770 28.738 -0.177 0.000 1.266 319 Q HN 0.391 nan 8.270 nan 0.000 0.438 320 V N 3.332 123.153 119.914 -0.155 0.000 2.347 320 V HA 0.355 4.474 4.120 -0.001 0.000 0.280 320 V C -0.325 175.621 176.094 -0.246 0.000 1.021 320 V CA -0.634 61.552 62.300 -0.191 0.000 0.847 320 V CB 1.164 32.930 31.823 -0.095 0.000 0.990 320 V HN 0.545 nan 8.190 nan 0.000 0.444 321 K N 4.200 124.333 120.400 -0.445 0.000 2.244 321 K HA 0.563 4.883 4.320 -0.001 0.000 0.260 321 K C -0.351 176.114 176.600 -0.225 0.000 0.951 321 K CA -0.605 55.445 56.287 -0.396 0.000 0.826 321 K CB 2.525 34.640 32.500 -0.641 0.000 1.108 321 K HN 0.893 nan 8.250 nan 0.000 0.433 322 E N 0.283 120.450 120.200 -0.055 0.000 2.183 322 E HA 0.496 4.845 4.350 -0.001 0.000 0.271 322 E C -0.861 175.787 176.600 0.079 0.000 0.919 322 E CA -1.010 55.411 56.400 0.036 0.000 0.781 322 E CB 1.981 31.698 29.700 0.029 0.000 1.140 322 E HN 0.134 nan 8.360 nan 0.000 0.402 323 V N 2.324 122.304 119.914 0.111 0.000 2.815 323 V HA 0.803 4.923 4.120 -0.001 0.000 0.314 323 V C -1.042 175.088 176.094 0.060 0.000 1.064 323 V CA 0.004 62.359 62.300 0.092 0.000 0.952 323 V CB 2.113 33.997 31.823 0.101 0.000 1.020 323 V HN 1.022 nan 8.190 nan 0.000 0.439 324 T N 2.807 117.387 114.554 0.043 0.000 2.928 324 T HA 0.578 4.928 4.350 -0.001 0.000 0.296 324 T C -0.924 173.789 174.700 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 2.954 122.765 119.800 0.017 0.000 2.503 325 Q HA 0.394 4.733 4.340 -0.001 0.000 0.227 325 Q C 0.860 176.866 176.000 0.010 0.000 1.109 325 Q CA -0.483 55.325 55.803 0.010 0.000 0.922 325 Q CB 0.535 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 1.138 119.844 118.700 0.009 0.000 2.132 326 N HA -0.076 4.663 4.740 -0.001 0.000 0.187 326 N C 0.097 175.611 175.510 0.005 0.000 1.038 326 N CA 1.243 54.298 53.050 0.009 0.000 0.846 326 N CB 0.416 38.909 38.487 0.009 0.000 1.012 326 N HN 0.445 nan 8.380 nan 0.000 0.429 327 D N -1.626 118.776 120.400 0.004 0.000 3.051 327 D HA 0.227 4.866 4.640 -0.001 0.000 0.216 327 D C 1.041 177.341 176.300 -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 -0.214 174.683 174.900 -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 0.526 4.875 4.350 -0.001 0.000 0.290 329 T C -0.327 174.373 174.700 -0.000 0.000 1.000 329 T CA -0.270 61.829 62.100 -0.002 0.000 0.978 329 T CB 1.362 70.230 68.868 -0.001 0.000 0.997 329 T HN 0.111 nan 8.240 nan 0.000 0.443 330 T N 2.218 116.771 114.554 -0.002 0.000 2.738 330 T HA 0.534 4.883 4.350 -0.001 0.000 0.298 330 T C 0.412 175.117 174.700 0.008 0.000 0.962 330 T CA -0.800 61.301 62.100 0.001 0.000 0.972 330 T CB 0.267 69.130 68.868 -0.008 0.000 0.928 330 T HN 0.714 nan 8.240 nan 0.000 0.474 331 T N 2.001 116.564 114.554 0.015 0.000 2.837 331 T HA 0.663 5.013 4.350 -0.001 0.000 0.285 331 T C 0.002 174.723 174.700 0.034 0.000 0.984 331 T CA -0.940 61.172 62.100 0.020 0.000 1.049 331 T CB 0.500 69.378 68.868 0.016 0.000 0.947 331 T HN 0.645 nan 8.240 nan 0.000 0.472 332 I N 2.170 122.764 120.570 0.041 0.000 2.406 332 I HA 0.670 4.839 4.170 -0.001 0.000 0.290 332 I C 0.161 176.302 176.117 0.039 0.000 0.999 332 I CA -1.039 60.301 61.300 0.066 0.000 1.124 332 I CB 1.554 39.619 38.000 0.109 0.000 1.289 332 I HN 0.914 nan 8.210 nan 0.000 0.441 333 A N 5.328 128.164 122.820 0.026 0.000 2.479 333 A HA 0.626 4.946 4.320 -0.001 0.000 0.296 333 A C -0.893 176.678 177.584 -0.022 0.000 1.121 333 A CA -0.817 51.221 52.037 0.003 0.000 0.743 333 A CB 1.343 20.347 19.000 0.007 0.000 1.323 333 A HN 0.636 nan 8.150 nan 0.000 0.415 334 N N 1.977 120.660 118.700 -0.028 0.000 2.497 334 N HA 0.127 4.867 4.740 -0.001 0.000 0.271 334 N C -0.981 174.509 175.510 -0.034 0.000 1.142 334 N CA 0.171 53.195 53.050 -0.044 0.000 0.965 334 N CB 0.762 39.227 38.487 -0.036 0.000 1.077 334 N HN 0.590 nan 8.380 nan 0.000 0.462 335 N N 3.419 122.091 118.700 -0.046 0.000 2.699 335 N HA 0.204 4.944 4.740 -0.001 0.000 0.232 335 N C 0.900 176.393 175.510 -0.028 0.000 1.027 335 N CA -0.285 52.748 53.050 -0.029 0.000 0.920 335 N CB 0.328 38.800 38.487 -0.025 0.000 1.148 335 N HN 0.454 nan 8.380 nan 0.000 0.509 336 L N 0.984 122.197 121.223 -0.017 0.000 2.156 336 L HA -0.066 4.273 4.340 -0.001 0.000 0.208 336 L C 1.985 178.853 176.870 -0.004 0.000 1.095 336 L CA 1.281 56.114 54.840 -0.012 0.000 0.770 336 L CB -0.455 41.600 42.059 -0.007 0.000 0.914 336 L HN 0.528 nan 8.230 nan 0.000 0.439 337 T N -4.377 110.176 114.554 -0.001 0.000 3.148 337 T HA 0.011 4.361 4.350 -0.001 0.000 0.253 337 T C 0.966 175.668 174.700 0.003 0.000 1.134 337 T CA -0.059 62.043 62.100 0.004 0.000 1.051 337 T CB 0.039 68.910 68.868 0.005 0.000 0.959 337 T HN 0.094 nan 8.240 nan 0.000 0.525 338 S N 1.949 117.647 115.700 -0.003 0.000 2.601 338 S HA 0.521 4.991 4.470 -0.001 0.000 0.271 338 S C 0.417 175.017 174.600 0.001 0.000 1.305 338 S CA -0.420 57.776 58.200 -0.006 0.000 1.022 338 S CB 0.703 63.894 63.200 -0.016 0.000 0.940 338 S HN 0.743 nan 8.310 nan 0.000 0.525 339 T N 0.227 114.781 114.554 0.000 0.000 2.905 339 T HA 0.794 5.144 4.350 -0.001 0.000 0.283 339 T C -0.568 174.139 174.700 0.011 0.000 1.031 339 T CA -0.786 61.323 62.100 0.015 0.000 1.002 339 T CB 1.327 70.206 68.868 0.019 0.000 1.200 339 T HN 0.609 nan 8.240 nan 0.000 0.560 340 V N 0.147 120.081 119.914 0.033 0.000 3.087 340 V HA 0.523 4.643 4.120 -0.001 0.000 0.306 340 V C -1.793 174.323 176.094 0.038 0.000 1.187 340 V CA -0.789 61.525 62.300 0.024 0.000 0.999 340 V CB 2.403 34.273 31.823 0.077 0.000 1.049 340 V HN 1.067 nan 8.190 nan 0.000 0.431 341 Q N 3.478 123.281 119.800 0.005 0.000 2.331 341 Q HA 0.765 5.104 4.340 -0.001 0.000 0.267 341 Q C -1.457 174.665 176.000 0.203 0.000 1.006 341 Q CA -0.637 55.233 55.803 0.112 0.000 0.818 341 Q CB 2.563 31.385 28.738 0.140 0.000 1.276 341 Q HN 0.552 nan 8.270 nan 0.000 0.450 342 V N 3.359 123.371 119.914 0.162 0.000 2.823 342 V HA 0.745 4.865 4.120 -0.001 0.000 0.312 342 V C -0.720 175.412 176.094 0.063 0.000 1.072 342 V CA -0.830 61.449 62.300 -0.035 0.000 0.937 342 V CB 1.326 32.817 31.823 -0.553 0.000 1.013 342 V HN 0.791 nan 8.190 nan 0.000 0.430 343 F N 0.321 120.121 119.950 -0.250 0.000 2.817 343 F HA 0.805 5.332 4.527 -0.001 0.000 0.317 343 F C -0.901 174.704 175.800 -0.325 0.000 1.168 343 F CA -0.686 57.189 58.000 -0.208 0.000 0.911 343 F CB 1.981 40.898 39.000 -0.139 0.000 1.337 343 F HN 0.470 nan 8.300 nan 0.000 0.464 344 T N 0.681 115.092 114.554 -0.238 0.000 2.841 344 T HA 0.286 4.635 4.350 -0.001 0.000 0.285 344 T C -1.531 172.996 174.700 -0.289 0.000 0.991 344 T CA -0.409 61.391 62.100 -0.499 0.000 0.966 344 T CB 0.907 69.370 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 0.857 176.915 176.300 -0.405 0.000 1.188 345 D CA 0.111 53.926 54.000 -0.308 0.000 1.028 345 D CB 0.062 40.646 40.800 -0.360 0.000 1.087 345 D HN 0.428 nan 8.370 nan 0.000 0.510 346 S N 2.016 117.534 115.700 -0.302 0.000 2.501 346 S HA 0.007 4.477 4.470 -0.001 0.000 0.220 346 S C 1.251 175.565 174.600 -0.477 0.000 0.997 346 S CA 0.066 58.036 58.200 -0.382 0.000 0.919 346 S CB 0.231 63.375 63.200 -0.092 0.000 0.778 346 S HN 0.536 nan 8.310 nan 0.000 0.523 347 E N 0.294 120.330 120.200 -0.273 0.000 2.474 347 E HA 0.129 4.478 4.350 -0.001 0.000 0.195 347 E C -0.887 175.737 176.600 0.039 0.000 1.039 347 E CA -0.318 56.035 56.400 -0.078 0.000 0.881 347 E CB 0.055 29.763 29.700 0.013 0.000 0.970 347 E HN 0.538 nan 8.360 nan 0.000 0.486 348 Y N 0.511 120.828 120.300 0.027 0.000 3.078 348 Y HA -0.296 4.253 4.550 -0.001 0.000 0.202 348 Y C 1.050 176.936 175.900 -0.024 0.000 1.322 348 Y CA 0.318 58.412 58.100 -0.010 0.000 1.118 348 Y CB -2.419 36.028 38.460 -0.022 0.000 1.343 348 Y HN 0.205 nan 8.280 nan 0.000 0.499 349 Q N -0.109 119.735 119.800 0.073 0.000 2.396 349 Q HA 0.259 4.599 4.340 -0.001 0.000 0.209 349 Q C 0.375 176.294 176.000 -0.135 0.000 0.906 349 Q CA 0.184 56.017 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 1.873 122.980 121.223 -0.193 0.000 2.325 350 L HA 0.382 4.722 4.340 -0.001 0.000 0.279 350 L C -2.226 174.487 176.870 -0.261 0.000 1.054 350 L CA -2.421 52.168 54.840 -0.418 0.000 0.804 350 L CB 0.963 42.751 42.059 -0.450 0.000 1.200 350 L HN -0.183 nan 8.230 nan 0.000 0.436 351 P HA -0.121 nan 4.420 nan 0.000 0.260 351 P C -1.077 176.263 177.300 0.067 0.000 1.185 351 P CA 0.165 63.218 63.100 -0.079 0.000 0.763 351 P CB -0.018 31.634 31.700 -0.080 0.000 0.776 352 Y N 4.150 124.446 120.300 -0.008 0.000 2.584 352 Y HA 0.118 4.668 4.550 -0.001 0.000 0.351 352 Y C 1.211 177.120 175.900 0.015 0.000 1.030 352 Y CA 0.287 58.394 58.100 0.011 0.000 1.332 352 Y CB 0.365 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 -0.285 0.000 3.647 353 V HA 0.128 4.248 4.120 -0.001 0.000 0.279 353 V C 0.524 176.433 176.094 -0.308 0.000 1.314 353 V CA 0.305 62.456 62.300 -0.248 0.000 1.125 353 V CB -0.610 31.018 31.823 -0.324 0.000 0.907 353 V HN 0.590 nan 8.190 nan 0.000 0.434 354 L N -0.246 120.625 121.223 -0.587 0.000 2.488 354 L HA 0.569 4.909 4.340 -0.001 0.000 0.249 354 L C 1.570 178.346 176.870 -0.158 0.000 1.151 354 L CA 0.297 54.887 54.840 -0.417 0.000 0.806 354 L CB -0.075 41.614 42.059 -0.617 0.000 1.261 354 L HN 0.283 nan 8.230 nan 0.000 0.484 355 G N 0.159 108.878 108.800 -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 0.458 175.356 174.900 -0.003 0.000 1.024 355 G CA 0.525 45.583 45.100 -0.069 0.000 0.784 355 G HN 0.528 nan 8.290 nan 0.000 0.507 356 S N -0.499 115.200 115.700 -0.002 0.000 2.754 356 S HA 0.578 5.048 4.470 -0.001 0.000 0.247 356 S C 1.481 175.936 174.600 -0.242 0.000 1.031 356 S CA 0.982 59.133 58.200 -0.081 0.000 1.014 356 S CB 0.646 63.828 63.200 -0.031 0.000 0.918 356 S HN 2.145 nan 8.310 nan 0.000 0.519 357 A N 1.598 124.350 122.820 -0.114 0.000 2.816 357 A HA -0.220 4.100 4.320 -0.001 0.000 0.270 357 A C 0.421 177.950 177.584 -0.092 0.000 1.413 357 A CA 0.898 52.888 52.037 -0.079 0.000 0.866 357 A CB -2.277 16.685 19.000 -0.064 0.000 1.032 357 A HN 0.668 nan 8.150 nan 0.000 0.642 358 H N -0.118 118.954 119.070 0.004 0.000 2.767 358 H HA 0.251 4.807 4.556 -0.001 0.000 0.380 358 H C 1.011 176.362 175.328 0.038 0.000 1.409 358 H CA 0.932 56.994 56.048 0.023 0.000 1.463 358 H CB 0.289 30.075 29.762 0.040 0.000 1.514 358 H HN 0.744 nan 8.280 nan 0.000 0.619 359 Q N -1.195 118.723 119.800 0.196 0.000 2.180 359 Q HA 0.404 4.743 4.340 -0.001 0.000 0.241 359 Q C 0.541 176.599 176.000 0.096 0.000 0.970 359 Q CA -0.232 55.646 55.803 0.126 0.000 0.919 359 Q CB 1.628 30.430 28.738 0.106 0.000 1.222 359 Q HN 0.958 nan 8.270 nan 0.000 0.482 360 G N -0.422 108.425 108.800 0.077 0.000 2.138 360 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.193 360 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.193 360 G C 0.112 175.010 174.900 -0.003 0.000 0.998 360 G CA -0.346 44.788 45.100 0.056 0.000 0.668 360 G HN 0.575 nan 8.290 nan 0.000 0.516 361 C N 0.247 119.536 119.300 -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 -0.299 0.000 1.490 361 C CA -0.650 58.314 59.018 -0.091 0.000 2.260 361 C CB -0.020 27.702 27.740 -0.031 0.000 2.103 361 C HN 0.495 nan 8.230 nan 0.000 0.641 362 L N 2.382 123.423 121.223 -0.303 0.000 2.410 362 L HA 0.216 4.555 4.340 -0.001 0.000 0.273 362 L C -2.077 174.724 176.870 -0.115 0.000 1.152 362 L CA -1.108 53.470 54.840 -0.436 0.000 0.855 362 L CB -0.097 41.822 42.059 -0.233 0.000 1.129 362 L HN 0.387 nan 8.230 nan 0.000 0.463 363 P HA 0.023 nan 4.420 nan 0.000 0.262 363 P C -2.001 175.382 177.300 0.138 0.000 1.182 363 P CA -0.855 62.308 63.100 0.105 0.000 0.761 363 P CB 0.182 31.980 31.700 0.163 0.000 0.795 364 P HA -0.151 nan 4.420 nan 0.000 0.216 364 P C 0.213 177.515 177.300 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 -0.094 0.000 0.787 365 F N -0.201 119.590 119.950 -0.264 0.000 2.411 365 F HA 0.286 4.813 4.527 -0.001 0.000 0.350 365 F C -1.697 174.056 175.800 -0.077 0.000 1.114 365 F CA -2.999 54.775 58.000 -0.376 0.000 1.135 365 F CB 1.051 39.743 39.000 -0.513 0.000 1.120 365 F HN -0.110 nan 8.300 nan 0.000 0.495 366 P HA -0.149 nan 4.420 nan 0.000 0.218 366 P C 0.998 178.272 177.300 -0.045 0.000 1.148 366 P CA 1.749 64.758 63.100 -0.151 0.000 0.822 366 P CB 0.092 31.705 31.700 -0.145 0.000 0.784 367 A N -1.036 121.612 122.820 -0.287 0.000 2.119 367 A HA -0.054 4.266 4.320 -0.001 0.000 0.217 367 A C 0.656 178.349 177.584 0.182 0.000 1.153 367 A CA 0.723 52.758 52.037 -0.004 0.000 0.692 367 A CB -0.937 18.119 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 0.379 5.018 4.640 -0.001 0.000 0.253 368 D C -0.190 176.273 176.300 0.272 0.000 1.161 368 D CA 0.141 54.299 54.000 0.263 0.000 0.876 368 D CB 1.386 42.354 40.800 0.280 0.000 1.160 368 D HN -0.020 nan 8.370 nan 0.000 0.459 369 V N 3.269 123.324 119.914 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 -0.483 61.964 62.300 0.246 0.000 1.012 369 V CB 0.505 32.399 31.823 0.117 0.000 1.006 369 V HN 0.423 nan 8.190 nan 0.000 0.477 370 F N 2.526 122.566 119.950 0.149 0.000 2.593 370 F HA 0.777 5.304 4.527 -0.001 0.000 0.320 370 F C -0.458 175.422 175.800 0.134 0.000 1.060 370 F CA -1.349 56.731 58.000 0.134 0.000 0.940 370 F CB 1.941 41.027 39.000 0.143 0.000 1.268 370 F HN 0.446 nan 8.300 nan 0.000 0.475 371 M N 3.279 122.918 119.600 0.066 0.000 2.264 371 M HA 0.526 5.006 4.480 -0.001 0.000 0.352 371 M C -1.339 174.958 176.300 -0.004 0.000 1.173 371 M CA -0.850 54.426 55.300 -0.040 0.000 1.075 371 M CB 1.539 34.165 32.600 0.043 0.000 1.621 371 M HN 0.611 nan 8.290 nan 0.000 0.457 372 V N 7.360 127.197 119.914 -0.128 0.000 2.508 372 V HA 0.249 4.369 4.120 -0.001 0.000 0.281 372 V C -2.056 173.962 176.094 -0.126 0.000 1.041 372 V CA -1.268 60.924 62.300 -0.181 0.000 1.016 372 V CB 0.458 32.034 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 -0.576 176.424 177.300 -0.500 0.000 1.215 373 P CA -0.144 62.707 63.100 -0.415 0.000 0.780 373 P CB 0.470 31.734 31.700 -0.726 0.000 0.898 374 Q N 1.281 120.761 119.800 -0.533 0.000 2.230 374 Q HA 0.239 4.578 4.340 -0.001 0.000 0.248 374 Q C -1.313 174.699 176.000 0.020 0.000 0.915 374 Q CA -0.705 54.708 55.803 -0.651 0.000 0.900 374 Q CB 0.496 28.482 28.738 -1.253 0.000 1.229 374 Q HN 0.376 nan 8.270 nan 0.000 0.439 375 Y N 1.466 121.766 120.300 -0.000 0.000 2.327 375 Y HA 0.581 5.131 4.550 -0.001 0.000 0.336 375 Y C -0.297 175.605 175.900 0.003 0.000 1.035 375 Y CA 0.142 58.261 58.100 0.030 0.000 1.165 375 Y CB 1.223 39.709 38.460 0.044 0.000 1.181 375 Y HN 0.639 nan 8.280 nan 0.000 0.494 376 G N 5.068 113.503 108.800 -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 -2.295 172.299 174.900 -0.510 0.000 1.398 376 G CA -0.823 43.993 45.100 -0.473 0.000 0.920 376 G HN 0.743 nan 8.290 nan 0.000 0.492 377 Y N -1.064 119.034 120.300 -0.337 0.000 2.615 377 Y HA 0.822 5.372 4.550 -0.001 0.000 0.341 377 Y C -1.176 174.736 175.900 0.020 0.000 1.089 377 Y CA -1.693 56.296 58.100 -0.185 0.000 1.049 377 Y CB 1.537 39.917 38.460 -0.134 0.000 1.296 377 Y HN 0.468 nan 8.280 nan 0.000 0.470 378 L N 2.006 123.363 121.223 0.223 0.000 2.334 378 L HA 0.733 5.073 4.340 -0.001 0.000 0.273 378 L C -0.221 176.859 176.870 0.350 0.000 1.013 378 L CA -0.609 54.360 54.840 0.214 0.000 0.816 378 L CB 2.407 44.587 42.059 0.202 0.000 1.278 378 L HN 0.965 nan 8.230 nan 0.000 0.431 379 T N 0.340 115.097 114.554 0.339 0.000 2.688 379 T HA 0.452 4.801 4.350 -0.001 0.000 0.249 379 T C -0.891 173.988 174.700 0.299 0.000 0.944 379 T CA -0.682 61.648 62.100 0.383 0.000 1.058 379 T CB 0.883 70.032 68.868 0.469 0.000 1.673 379 T HN 0.118 nan 8.240 nan 0.000 0.565 380 L N 2.977 124.359 121.223 0.265 0.000 2.350 380 L HA 0.578 4.917 4.340 -0.001 0.000 0.275 380 L C -0.576 176.384 176.870 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 1.286 120.052 118.700 0.110 0.000 2.331 381 N HA 0.328 5.068 4.740 -0.001 0.000 0.280 381 N C -1.377 174.139 175.510 0.010 0.000 1.155 381 N CA -0.735 52.341 53.050 0.043 0.000 0.822 381 N CB 0.944 39.504 38.487 0.122 0.000 1.619 381 N HN 0.363 nan 8.380 nan 0.000 0.476 382 N N 1.104 119.765 118.700 -0.064 0.000 2.816 382 N HA 0.435 5.175 4.740 -0.001 0.000 0.236 382 N C 0.638 176.068 175.510 -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 2.343 111.058 108.800 -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 0.792 175.485 174.900 -0.346 0.000 1.146 383 G CA 0.523 45.369 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 -0.408 0.000 2.528 384 S HA 0.301 4.770 4.470 -0.001 0.000 0.219 384 S C 1.075 175.605 174.600 -0.118 0.000 0.985 384 S CA 1.303 59.444 58.200 -0.098 0.000 0.914 384 S CB 0.232 63.426 63.200 -0.010 0.000 0.776 384 S HN 0.757 nan 8.310 nan 0.000 0.526 385 Q N 0.585 120.258 119.800 -0.211 0.000 2.237 385 Q HA 0.718 5.057 4.340 -0.001 0.000 0.219 385 Q C -0.319 175.391 176.000 -0.483 0.000 0.999 385 Q CA -0.411 55.204 55.803 -0.313 0.000 0.959 385 Q CB 1.169 29.770 28.738 -0.228 0.000 1.173 385 Q HN 0.490 nan 8.270 nan 0.000 0.527 386 A N 0.366 122.778 122.820 -0.681 0.000 2.346 386 A HA 0.703 5.023 4.320 -0.001 0.000 0.313 386 A C -0.689 176.708 177.584 -0.313 0.000 1.140 386 A CA -0.605 51.021 52.037 -0.684 0.000 0.826 386 A CB 1.000 19.251 19.000 -1.248 0.000 1.332 386 A HN 0.465 nan 8.150 nan 0.000 0.457 387 V N -0.466 119.344 119.914 -0.173 0.000 3.406 387 V HA 0.531 4.650 4.120 -0.001 0.000 0.305 387 V C 1.769 177.832 176.094 -0.052 0.000 1.136 387 V CA 0.314 62.565 62.300 -0.083 0.000 1.011 387 V CB 1.253 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 -0.431 108.354 108.800 -0.024 0.000 2.464 388 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.217 388 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.217 388 G C 1.155 176.067 174.900 0.019 0.000 1.138 388 G CA -0.020 45.076 45.100 -0.006 0.000 0.793 388 G HN 0.576 nan 8.290 nan 0.000 0.539 389 R N 0.903 121.421 120.500 0.031 0.000 2.363 389 R HA 0.214 4.554 4.340 -0.001 0.000 0.236 389 R C 0.085 176.435 176.300 0.083 0.000 0.966 389 R CA -0.176 55.956 56.100 0.052 0.000 1.100 389 R CB 0.194 30.526 30.300 0.054 0.000 1.125 389 R HN 0.133 nan 8.270 nan 0.000 0.514 390 S N 0.360 116.117 115.700 0.095 0.000 2.584 390 S HA 0.219 4.689 4.470 -0.001 0.000 0.273 390 S C 0.070 174.766 174.600 0.160 0.000 1.311 390 S CA -0.283 58.017 58.200 0.168 0.000 1.034 390 S CB 1.712 65.040 63.200 0.213 0.000 0.939 390 S HN 0.060 nan 8.310 nan 0.000 0.513 391 S N 2.318 118.122 115.700 0.174 0.000 2.437 391 S HA 0.517 4.986 4.470 -0.001 0.000 0.305 391 S C -0.919 173.627 174.600 -0.091 0.000 1.109 391 S CA -0.550 57.611 58.200 -0.066 0.000 1.099 391 S CB 0.476 63.564 63.200 -0.186 0.000 1.004 391 S HN 0.556 nan 8.310 nan 0.000 0.475 392 F N 4.043 123.747 119.950 -0.410 0.000 2.427 392 F HA 0.561 5.088 4.527 -0.001 0.000 0.346 392 F C -1.483 174.002 175.800 -0.526 0.000 1.120 392 F CA -1.459 56.295 58.000 -0.411 0.000 1.033 392 F CB 0.444 39.200 39.000 -0.407 0.000 1.126 392 F HN 0.520 nan 8.300 nan 0.000 0.462 393 Y N 5.530 125.535 120.300 -0.491 0.000 2.328 393 Y HA 0.401 4.951 4.550 -0.001 0.000 0.333 393 Y C -0.073 175.452 175.900 -0.625 0.000 0.958 393 Y CA -0.858 56.961 58.100 -0.467 0.000 1.167 393 Y CB 1.410 39.677 38.460 -0.320 0.000 1.151 393 Y HN 0.715 nan 8.280 nan 0.000 0.470 394 C N 5.785 124.814 119.300 -0.452 0.000 2.307 394 C HA 0.402 4.861 4.460 -0.001 0.000 0.340 394 C C 0.993 176.050 174.990 0.111 0.000 1.275 394 C CA -0.577 58.221 59.018 -0.367 0.000 1.811 394 C CB -0.805 26.664 27.740 -0.451 0.000 2.372 394 C HN 0.981 nan 8.230 nan 0.000 0.531 395 L N 4.410 125.758 121.223 0.208 0.000 2.554 395 L HA 0.150 4.489 4.340 -0.001 0.000 0.226 395 L C 2.260 179.185 176.870 0.092 0.000 1.137 395 L CA 1.256 56.082 54.840 -0.023 0.000 0.863 395 L CB -0.438 41.164 42.059 -0.762 0.000 0.985 395 L HN 0.690 nan 8.230 nan 0.000 0.451 396 E N -1.550 118.851 120.200 0.335 0.000 2.435 396 E HA -0.142 4.207 4.350 -0.001 0.000 0.195 396 E C 1.156 177.869 176.600 0.189 0.000 1.029 396 E CA 0.498 57.095 56.400 0.327 0.000 0.865 396 E CB -0.093 29.812 29.700 0.342 0.000 0.833 396 E HN 0.544 nan 8.360 nan 0.000 0.510 397 Y N -0.135 120.159 120.300 -0.011 0.000 2.495 397 Y HA 0.120 4.669 4.550 -0.001 0.000 0.293 397 Y C -0.394 175.274 175.900 -0.385 0.000 1.186 397 Y CA -0.320 57.677 58.100 -0.172 0.000 1.266 397 Y CB -0.005 38.320 38.460 -0.226 0.000 1.101 397 Y HN -0.229 nan 8.280 nan 0.000 0.517 398 F N 0.994 120.695 119.950 -0.415 0.000 2.495 398 F HA 0.433 4.960 4.527 -0.001 0.000 0.327 398 F C -2.172 173.285 175.800 -0.572 0.000 1.103 398 F CA -3.140 54.469 58.000 -0.651 0.000 0.949 398 F CB 0.901 39.168 39.000 -1.223 0.000 1.142 398 F HN -0.058 nan 8.300 nan 0.000 0.457 399 P HA 0.163 nan 4.420 nan 0.000 0.266 399 P C -1.054 176.178 177.300 -0.113 0.000 1.215 399 P CA -0.053 62.953 63.100 -0.156 0.000 0.763 399 P CB 0.571 32.203 31.700 -0.113 0.000 0.806 400 S N 1.694 117.390 115.700 -0.007 0.000 2.548 400 S HA 0.396 4.866 4.470 -0.001 0.000 0.286 400 S C -0.830 173.873 174.600 0.172 0.000 1.098 400 S CA -1.037 57.248 58.200 0.142 0.000 0.930 400 S CB 1.617 64.975 63.200 0.264 0.000 1.070 400 S HN 0.440 nan 8.310 nan 0.000 0.480 401 Q N 1.871 121.805 119.800 0.223 0.000 2.288 401 Q HA 0.391 4.731 4.340 -0.001 0.000 0.258 401 Q C -0.957 175.150 176.000 0.177 0.000 0.957 401 Q CA -0.168 55.761 55.803 0.211 0.000 0.919 401 Q CB 0.506 29.433 28.738 0.315 0.000 1.185 401 Q HN 0.719 nan 8.270 nan 0.000 0.408 402 M N 4.487 124.170 119.600 0.138 0.000 2.209 402 M HA 0.330 4.810 4.480 -0.001 0.000 0.355 402 M C -1.220 175.147 176.300 0.111 0.000 1.171 402 M CA -0.715 54.651 55.300 0.111 0.000 1.069 402 M CB 0.950 33.598 32.600 0.081 0.000 1.622 402 M HN 0.450 nan 8.290 nan 0.000 0.459 403 L N 2.849 124.136 121.223 0.107 0.000 2.362 403 L HA 0.591 4.931 4.340 -0.001 0.000 0.275 403 L C -0.136 176.786 176.870 0.088 0.000 0.998 403 L CA -0.336 54.574 54.840 0.115 0.000 0.820 403 L CB 1.703 43.854 42.059 0.154 0.000 1.270 403 L HN 0.598 nan 8.230 nan 0.000 0.415 404 R N -0.031 120.515 120.500 0.076 0.000 2.602 404 R HA 0.656 4.995 4.340 -0.001 0.000 0.237 404 R C -0.468 175.869 176.300 0.061 0.000 1.219 404 R CA -0.542 55.591 56.100 0.055 0.000 1.121 404 R CB 0.954 31.280 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 0.635 69.510 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 0.209 175.160 174.900 0.084 0.000 0.994 406 G CA -0.679 44.462 45.100 0.069 0.000 0.637 406 G HN 0.600 nan 8.290 nan 0.000 0.505 407 N N 1.725 120.483 118.700 0.097 0.000 2.445 407 N HA 0.564 5.303 4.740 -0.001 0.000 0.264 407 N C 0.108 175.716 175.510 0.162 0.000 1.227 407 N CA 0.389 53.509 53.050 0.117 0.000 0.963 407 N CB 0.890 39.448 38.487 0.118 0.000 1.188 407 N HN 0.760 nan 8.380 nan 0.000 0.491 408 N N -0.676 118.133 118.700 0.182 0.000 2.934 408 N HA 0.383 5.123 4.740 -0.001 0.000 0.253 408 N C -1.880 173.804 175.510 0.290 0.000 1.466 408 N CA -0.561 52.635 53.050 0.243 0.000 0.858 408 N CB 1.292 39.907 38.487 0.213 0.000 1.459 408 N HN 0.366 nan 8.380 nan 0.000 0.532 409 F N 0.123 120.161 119.950 0.146 0.000 2.529 409 F HA 0.522 5.048 4.527 -0.001 0.000 0.320 409 F C -0.741 175.147 175.800 0.148 0.000 1.118 409 F CA -0.392 57.695 58.000 0.145 0.000 0.915 409 F CB 2.040 41.138 39.000 0.164 0.000 1.161 409 F HN 0.576 nan 8.300 nan 0.000 0.445 410 Q N 5.091 124.531 119.800 -0.600 0.000 2.377 410 Q HA 0.676 5.016 4.340 -0.001 0.000 0.271 410 Q C -2.046 173.718 176.000 -0.393 0.000 1.077 410 Q CA -0.642 54.954 55.803 -0.344 0.000 0.820 410 Q CB 2.130 30.748 28.738 -0.199 0.000 1.347 410 Q HN 0.691 nan 8.270 nan 0.000 0.444 411 F N 0.656 120.468 119.950 -0.229 0.000 2.669 411 F HA 0.582 5.108 4.527 -0.001 0.000 0.315 411 F C -1.596 174.203 175.800 -0.002 0.000 1.109 411 F CA -0.239 57.699 58.000 -0.103 0.000 1.028 411 F CB 1.492 40.533 39.000 0.067 0.000 1.287 411 F HN 0.505 nan 8.300 nan 0.000 0.452 412 S N 4.593 119.800 115.700 -0.821 0.000 2.536 412 S HA 0.608 5.078 4.470 -0.001 0.000 0.287 412 S C -2.045 172.079 174.600 -0.793 0.000 1.101 412 S CA -0.625 57.197 58.200 -0.630 0.000 0.950 412 S CB 1.992 64.988 63.200 -0.341 0.000 1.056 412 S HN 0.644 nan 8.310 nan 0.000 0.481 413 Y N 0.988 120.898 120.300 -0.649 0.000 2.524 413 Y HA 0.613 5.163 4.550 -0.001 0.000 0.347 413 Y C -1.106 174.553 175.900 -0.403 0.000 1.005 413 Y CA -0.387 57.380 58.100 -0.554 0.000 1.025 413 Y CB 1.786 39.922 38.460 -0.541 0.000 1.275 413 Y HN 0.550 nan 8.280 nan 0.000 0.460 414 T N 6.533 120.372 114.554 -1.191 0.000 2.815 414 T HA 0.409 4.759 4.350 -0.001 0.000 0.289 414 T C -0.820 173.203 174.700 -1.128 0.000 1.000 414 T CA -0.403 61.191 62.100 -0.844 0.000 0.958 414 T CB 0.095 68.675 68.868 -0.479 0.000 0.944 414 T HN 0.411 nan 8.240 nan 0.000 0.442 415 F N 2.592 122.146 119.950 -0.659 0.000 2.490 415 F HA 0.229 4.755 4.527 -0.001 0.000 0.336 415 F C 1.530 177.146 175.800 -0.307 0.000 1.178 415 F CA -0.458 57.314 58.000 -0.379 0.000 1.301 415 F CB 0.573 39.425 39.000 -0.248 0.000 1.175 415 F HN 0.568 nan 8.300 nan 0.000 0.593 416 E N -0.156 120.043 120.200 -0.002 0.000 2.359 416 E HA 0.230 4.579 4.350 -0.001 0.000 0.255 416 E C -1.316 175.261 176.600 -0.039 0.000 1.191 416 E CA -0.964 55.413 56.400 -0.037 0.000 0.952 416 E CB 0.380 30.081 29.700 0.002 0.000 1.152 416 E HN 0.358 nan 8.360 nan 0.000 0.496 417 D N 0.637 121.008 120.400 -0.049 0.000 2.342 417 D HA 0.180 4.820 4.640 -0.001 0.000 0.260 417 D C -1.134 175.138 176.300 -0.046 0.000 1.278 417 D CA 0.201 54.163 54.000 -0.062 0.000 0.910 417 D CB 0.983 41.755 40.800 -0.047 0.000 1.079 417 D HN 0.219 nan 8.370 nan 0.000 0.496 418 V N 4.420 124.291 119.914 -0.072 0.000 2.577 418 V HA 0.445 4.564 4.120 -0.001 0.000 0.303 418 V C -2.454 173.633 176.094 -0.011 0.000 1.042 418 V CA -2.383 59.917 62.300 0.001 0.000 0.872 418 V CB 2.051 33.924 31.823 0.084 0.000 0.998 418 V HN 0.325 nan 8.190 nan 0.000 0.423 419 P HA 0.077 nan 4.420 nan 0.000 0.266 419 P C -0.523 176.870 177.300 0.155 0.000 1.186 419 P CA 0.332 63.481 63.100 0.080 0.000 0.767 419 P CB 0.102 31.855 31.700 0.090 0.000 0.820 420 F N 0.822 120.871 119.950 0.164 0.000 2.595 420 F HA 0.018 4.544 4.527 -0.001 0.000 0.359 420 F C 1.786 177.668 175.800 0.136 0.000 1.147 420 F CA 0.480 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 0.889 120.031 119.070 0.119 0.000 2.679 421 H HA 0.198 4.754 4.556 -0.001 0.000 0.369 421 H C -0.368 174.963 175.328 0.006 0.000 1.178 421 H CA -0.436 55.526 56.048 -0.145 0.000 1.419 421 H CB 0.688 30.132 29.762 -0.530 0.000 1.458 421 H HN 0.470 nan 8.280 nan 0.000 0.605 422 S N 2.421 117.553 115.700 -0.947 0.000 2.416 422 S HA 0.084 4.553 4.470 -0.001 0.000 0.302 422 S C 0.125 174.419 174.600 -0.510 0.000 1.120 422 S CA -0.402 57.416 58.200 -0.637 0.000 1.067 422 S CB 0.304 62.966 63.200 -0.897 0.000 1.057 422 S HN 0.592 nan 8.310 nan 0.000 0.518 423 S N 2.955 118.666 115.700 0.019 0.000 2.602 423 S HA 0.256 4.726 4.470 -0.001 0.000 0.246 423 S C -0.182 174.497 174.600 0.132 0.000 1.009 423 S CA -0.553 57.732 58.200 0.142 0.000 1.052 423 S CB -0.508 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 -1.713 118.466 120.300 -0.203 0.000 2.638 424 Y HA 0.891 5.441 4.550 -0.001 0.000 0.339 424 Y C -0.816 174.877 175.900 -0.345 0.000 1.084 424 Y CA -1.888 56.021 58.100 -0.320 0.000 1.068 424 Y CB 0.734 38.800 38.460 -0.656 0.000 1.294 424 Y HN -0.057 nan 8.280 nan 0.000 0.480 425 A N 1.083 123.750 122.820 -0.256 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 -0.199 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 0.843 nan 8.150 nan 0.000 0.418 426 H N 1.800 120.848 119.070 -0.038 0.000 2.764 426 H HA 0.123 4.679 4.556 -0.001 0.000 0.341 426 H C 1.360 176.683 175.328 -0.008 0.000 1.072 426 H CA 1.001 57.048 56.048 -0.001 0.000 1.444 426 H CB 1.348 31.104 29.762 -0.010 0.000 1.458 426 H HN 0.783 nan 8.280 nan 0.000 0.572 427 S N 2.204 117.975 115.700 0.118 0.000 2.558 427 S HA 0.040 4.509 4.470 -0.001 0.000 0.217 427 S C 0.581 175.222 174.600 0.069 0.000 0.975 427 S CA -0.090 58.155 58.200 0.076 0.000 0.912 427 S CB 0.488 63.729 63.200 0.067 0.000 0.776 427 S HN 0.595 nan 8.310 nan 0.000 0.526 428 Q N 0.385 120.232 119.800 0.077 0.000 2.486 428 Q HA 0.661 5.001 4.340 -0.001 0.000 0.274 428 Q C -1.133 174.884 176.000 0.028 0.000 1.076 428 Q CA -0.803 55.026 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 -0.371 115.334 115.700 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 0.877 64.078 63.200 0.003 0.000 1.048 429 S HN 0.717 nan 8.310 nan 0.000 0.483 430 L N 2.302 123.516 121.223 -0.015 0.000 2.137 430 L HA -0.167 4.173 4.340 -0.001 0.000 0.213 430 L C 1.919 178.808 176.870 0.030 0.000 1.085 430 L CA 2.066 56.915 54.840 0.015 0.000 0.760 430 L CB -0.224 41.850 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 0.882 177.176 176.300 -0.011 0.000 1.010 431 D CA 0.133 54.128 54.000 -0.008 0.000 0.875 431 D CB 0.030 40.815 40.800 -0.025 0.000 0.966 431 D HN 0.152 nan 8.370 nan 0.000 0.512 432 R N 1.170 121.668 120.500 -0.004 0.000 4.017 432 R HA 0.235 4.575 4.340 -0.001 0.000 0.272 432 R C 0.557 176.860 176.300 0.006 0.000 1.516 432 R CA -0.272 55.827 56.100 -0.003 0.000 1.519 432 R CB 0.445 30.745 30.300 -0.000 0.000 1.422 432 R HN 0.199 nan 8.270 nan 0.000 0.719 433 L N 0.481 121.709 121.223 0.009 0.000 2.609 433 L HA 0.224 4.564 4.340 -0.001 0.000 0.230 433 L C 0.348 177.229 176.870 0.017 0.000 1.064 433 L CA 0.854 55.708 54.840 0.023 0.000 0.873 433 L CB 0.139 42.230 42.059 0.053 0.000 1.139 433 L HN 0.196 nan 8.230 nan 0.000 0.490 434 M N -0.875 118.724 119.600 -0.001 0.000 2.116 434 M HA 0.269 4.749 4.480 -0.001 0.000 0.235 434 M C 0.418 176.713 176.300 -0.008 0.000 1.193 434 M CA -0.372 54.922 55.300 -0.011 0.000 0.959 434 M CB -0.805 31.774 32.600 -0.036 0.000 1.313 434 M HN -0.140 nan 8.290 nan 0.000 0.530 435 N N 0.764 119.456 118.700 -0.013 0.000 2.408 435 N HA 0.300 5.040 4.740 -0.001 0.000 0.257 435 N C -2.150 173.353 175.510 -0.012 0.000 1.064 435 N CA -1.703 51.343 53.050 -0.008 0.000 0.952 435 N CB 0.704 39.188 38.487 -0.005 0.000 1.093 435 N HN 0.345 nan 8.380 nan 0.000 0.490 436 P HA -0.019 nan 4.420 nan 0.000 0.225 436 P C 0.815 178.111 177.300 -0.007 0.000 1.148 436 P CA 0.640 63.736 63.100 -0.008 0.000 0.779 436 P CB 0.488 32.186 31.700 -0.003 0.000 0.780 437 L N -2.119 119.101 121.223 -0.005 0.000 2.470 437 L HA 0.140 4.480 4.340 -0.001 0.000 0.219 437 L C 1.022 177.890 176.870 -0.003 0.000 1.071 437 L CA 0.686 55.524 54.840 -0.003 0.000 0.850 437 L CB -0.286 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 -0.682 119.885 120.570 -0.006 0.000 2.607 438 I HA 0.308 4.477 4.170 -0.001 0.000 0.305 438 I C -0.526 175.579 176.117 -0.019 0.000 0.995 438 I CA -0.839 60.457 61.300 -0.006 0.000 1.148 438 I CB 1.288 39.289 38.000 0.001 0.000 1.323 438 I HN -0.062 nan 8.210 nan 0.000 0.461 439 D N 2.945 123.334 120.400 -0.019 0.000 2.253 439 D HA 0.370 5.010 4.640 -0.001 0.000 0.249 439 D C 0.188 176.450 176.300 -0.064 0.000 1.049 439 D CA -0.346 53.630 54.000 -0.040 0.000 0.929 439 D CB 0.850 41.628 40.800 -0.036 0.000 1.176 439 D HN 0.352 nan 8.370 nan 0.000 0.437 440 Q N 0.131 119.861 119.800 -0.118 0.000 2.500 440 Q HA 0.165 4.505 4.340 -0.001 0.000 0.215 440 Q C 0.134 176.035 176.000 -0.165 0.000 1.062 440 Q CA -0.218 55.455 55.803 -0.217 0.000 0.996 440 Q CB 0.464 29.043 28.738 -0.266 0.000 1.239 440 Q HN 0.692 nan 8.270 nan 0.000 0.578 441 Y N -2.013 118.252 120.300 -0.058 0.000 2.531 441 Y HA 0.433 4.983 4.550 -0.001 0.000 0.249 441 Y C -0.184 175.707 175.900 -0.013 0.000 1.168 441 Y CA -0.509 57.569 58.100 -0.037 0.000 1.226 441 Y CB 0.379 38.846 38.460 0.013 0.000 1.177 441 Y HN 0.173 nan 8.280 nan 0.000 0.527 442 L N 0.979 122.157 121.223 -0.075 0.000 2.360 442 L HA 0.430 4.770 4.340 -0.001 0.000 0.271 442 L C -1.089 175.752 176.870 -0.050 0.000 1.057 442 L CA -1.044 53.825 54.840 0.049 0.000 0.803 442 L CB 1.091 43.129 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 -0.413 175.574 175.900 0.145 0.000 1.021 443 Y CA -0.619 57.513 58.100 0.054 0.000 1.079 443 Y CB 1.854 40.295 38.460 -0.032 0.000 1.226 443 Y HN 0.393 nan 8.280 nan 0.000 0.460 444 Y N 0.433 120.882 120.300 0.248 0.000 2.602 444 Y HA 0.728 5.277 4.550 -0.001 0.000 0.342 444 Y C -1.630 174.481 175.900 0.352 0.000 1.029 444 Y CA -1.867 56.372 58.100 0.232 0.000 1.080 444 Y CB 1.149 39.671 38.460 0.103 0.000 1.284 444 Y HN 0.546 nan 8.280 nan 0.000 0.485 445 L N 3.251 124.726 121.223 0.420 0.000 2.257 445 L HA 0.411 4.750 4.340 -0.001 0.000 0.290 445 L C -0.034 176.915 176.870 0.132 0.000 1.044 445 L CA -0.079 54.844 54.840 0.139 0.000 0.810 445 L CB 0.589 42.702 42.059 0.090 0.000 1.193 445 L HN 1.045 nan 8.230 nan 0.000 0.425 446 N N 2.576 121.279 118.700 0.005 0.000 2.210 446 N HA 0.164 4.903 4.740 -0.001 0.000 0.203 446 N C -0.383 175.124 175.510 -0.005 0.000 1.175 446 N CA -0.658 52.453 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 1.050 121.489 120.500 -0.102 0.000 2.476 447 R HA 0.257 4.597 4.340 -0.001 0.000 0.305 447 R C 0.073 176.288 176.300 -0.141 0.000 0.965 447 R CA -0.318 55.721 56.100 -0.102 0.000 0.867 447 R CB 1.487 31.727 30.300 -0.101 0.000 1.176 447 R HN 0.236 nan 8.270 nan 0.000 0.447 448 T N -1.544 112.956 114.554 -0.091 0.000 3.042 448 T HA -0.063 4.287 4.350 -0.001 0.000 0.245 448 T C 1.302 175.961 174.700 -0.068 0.000 1.029 448 T CA 0.493 62.541 62.100 -0.086 0.000 1.120 448 T CB 0.360 69.197 68.868 -0.051 0.000 0.917 448 T HN 0.590 nan 8.240 nan 0.000 0.467 449 Q N 1.065 120.834 119.800 -0.052 0.000 2.577 449 Q HA 0.360 4.699 4.340 -0.001 0.000 0.242 449 Q C 1.510 177.488 176.000 -0.038 0.000 0.818 449 Q CA -0.014 55.765 55.803 -0.040 0.000 0.962 449 Q CB -0.492 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 1.741 110.521 108.800 -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 0.857 45.941 45.100 -0.028 0.000 1.080 450 G HN 0.369 nan 8.290 nan 0.000 0.405 451 T N 0.729 115.267 114.554 -0.026 0.000 2.551 451 T HA 0.332 4.681 4.350 -0.001 0.000 0.249 451 T C 0.671 175.361 174.700 -0.017 0.000 0.851 451 T CA -0.581 61.504 62.100 -0.026 0.000 1.149 451 T CB 0.610 69.462 68.868 -0.027 0.000 1.456 451 T HN 0.184 nan 8.240 nan 0.000 0.514 452 T N 2.855 117.400 114.554 -0.015 0.000 3.738 452 T HA 0.118 4.468 4.350 -0.001 0.000 0.231 452 T C 0.624 175.318 174.700 -0.010 0.000 0.967 452 T CA 0.154 62.248 62.100 -0.011 0.000 1.227 452 T CB -0.659 68.203 68.868 -0.009 0.000 1.136 452 T HN 0.533 nan 8.240 nan 0.000 0.807 453 S N 2.608 118.302 115.700 -0.010 0.000 3.829 453 S HA 0.351 4.821 4.470 -0.001 0.000 0.250 453 S C 1.245 175.840 174.600 -0.007 0.000 1.263 453 S CA -0.161 58.033 58.200 -0.009 0.000 0.955 453 S CB -0.641 62.554 63.200 -0.010 0.000 1.611 453 S HN 0.811 nan 8.310 nan 0.000 0.483 454 G N 2.003 110.798 108.800 -0.007 0.000 2.449 454 G HA2 0.293 4.253 3.960 -0.001 0.000 0.192 454 G HA3 0.293 4.253 3.960 -0.001 0.000 0.192 454 G C -0.223 174.673 174.900 -0.006 0.000 1.776 454 G CA -0.120 44.977 45.100 -0.006 0.000 0.699 454 G HN 0.512 nan 8.290 nan 0.000 0.745 455 T N 1.580 116.131 114.554 -0.006 0.000 2.824 455 T HA 0.475 4.825 4.350 -0.001 0.000 0.280 455 T C 0.286 174.983 174.700 -0.006 0.000 0.995 455 T CA 0.557 62.654 62.100 -0.005 0.000 1.009 455 T CB 1.250 70.115 68.868 -0.004 0.000 0.955 455 T HN 0.510 nan 8.240 nan 0.000 0.452 456 T N 3.282 117.833 114.554 -0.006 0.000 3.935 456 T HA -0.173 4.176 4.350 -0.001 0.000 0.346 456 T C 0.161 174.857 174.700 -0.008 0.000 0.758 456 T CA 0.580 62.676 62.100 -0.006 0.000 1.874 456 T CB -1.235 67.629 68.868 -0.005 0.000 1.875 456 T HN 0.617 nan 8.240 nan 0.000 0.802 457 N N 1.679 120.374 118.700 -0.009 0.000 2.851 457 N HA 0.126 4.866 4.740 -0.001 0.000 0.248 457 N C 1.423 176.926 175.510 -0.012 0.000 1.221 457 N CA -0.459 52.584 53.050 -0.011 0.000 0.847 457 N CB 1.287 39.767 38.487 -0.012 0.000 1.150 457 N HN 0.534 nan 8.380 nan 0.000 0.507 458 Q N 0.276 120.069 119.800 -0.012 0.000 2.036 458 Q HA 0.042 4.382 4.340 -0.001 0.000 0.195 458 Q C 0.328 176.317 176.000 -0.017 0.000 0.971 458 Q CA 0.842 56.637 55.803 -0.013 0.000 0.826 458 Q CB -0.073 28.659 28.738 -0.011 0.000 0.896 458 Q HN 0.337 nan 8.270 nan 0.000 0.449 459 S N -1.044 114.644 115.700 -0.020 0.000 2.596 459 S HA 0.787 5.256 4.470 -0.001 0.000 0.270 459 S C -1.018 173.563 174.600 -0.032 0.000 1.155 459 S CA -1.006 57.178 58.200 -0.027 0.000 0.827 459 S CB 3.083 66.269 63.200 -0.025 0.000 1.130 459 S HN 0.422 nan 8.310 nan 0.000 0.467 460 R N 0.219 120.690 120.500 -0.048 0.000 2.687 460 R HA 0.414 4.754 4.340 -0.001 0.000 0.265 460 R C -2.097 174.140 176.300 -0.105 0.000 1.048 460 R CA -0.768 55.297 56.100 -0.058 0.000 0.884 460 R CB 1.009 31.279 30.300 -0.050 0.000 1.258 460 R HN 0.781 nan 8.270 nan 0.000 0.469 461 L N 5.143 126.293 121.223 -0.123 0.000 2.259 461 L HA 0.451 4.790 4.340 -0.001 0.000 0.288 461 L C -0.676 175.944 176.870 -0.416 0.000 1.051 461 L CA -0.433 54.248 54.840 -0.264 0.000 0.824 461 L CB 0.849 42.816 42.059 -0.154 0.000 1.206 461 L HN 0.345 nan 8.230 nan 0.000 0.429 462 L N 3.667 124.559 121.223 -0.550 0.000 2.365 462 L HA 0.590 4.930 4.340 -0.001 0.000 0.273 462 L C -0.922 175.561 176.870 -0.646 0.000 1.000 462 L CA -0.459 54.116 54.840 -0.442 0.000 0.819 462 L CB 1.967 43.906 42.059 -0.199 0.000 1.284 462 L HN 0.303 nan 8.230 nan 0.000 0.418 463 F N 0.303 120.217 119.950 -0.060 0.000 2.520 463 F HA 0.518 5.044 4.527 -0.001 0.000 0.322 463 F C 0.319 176.070 175.800 -0.081 0.000 1.103 463 F CA -0.526 57.425 58.000 -0.082 0.000 0.926 463 F CB 2.229 41.204 39.000 -0.042 0.000 1.154 463 F HN 0.266 nan 8.300 nan 0.000 0.453 464 S N 1.566 117.159 115.700 -0.180 0.000 2.503 464 S HA 0.308 4.778 4.470 -0.001 0.000 0.301 464 S C -0.824 173.513 174.600 -0.439 0.000 1.087 464 S CA -0.802 57.228 58.200 -0.284 0.000 1.042 464 S CB 1.665 64.617 63.200 -0.413 0.000 1.043 464 S HN 0.658 nan 8.310 nan 0.000 0.489 465 Q N 2.378 121.959 119.800 -0.365 0.000 2.286 465 Q HA 0.529 4.869 4.340 -0.001 0.000 0.257 465 Q C -0.180 175.699 176.000 -0.202 0.000 0.941 465 Q CA -0.708 54.650 55.803 -0.741 0.000 0.912 465 Q CB 0.789 28.969 28.738 -0.931 0.000 1.192 465 Q HN 0.759 nan 8.270 nan 0.000 0.410 466 A N 3.162 125.957 122.820 -0.041 0.000 2.565 466 A HA 0.459 4.779 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 0.764 52.873 52.037 0.119 0.000 0.755 466 A CB 0.037 19.047 19.000 0.015 0.000 0.980 466 A HN 0.863 nan 8.150 nan 0.000 0.506 467 G N 1.155 109.973 108.800 0.029 0.000 2.642 467 G HA2 0.583 4.542 3.960 -0.001 0.000 0.293 467 G HA3 0.583 4.542 3.960 -0.001 0.000 0.293 467 G C -2.373 172.520 174.900 -0.011 0.000 1.341 467 G CA -1.168 43.931 45.100 -0.001 0.000 0.916 467 G HN 0.302 nan 8.290 nan 0.000 0.474 468 P HA -0.109 nan 4.420 nan 0.000 0.221 468 P C 1.578 178.871 177.300 -0.012 0.000 1.145 468 P CA 1.119 64.209 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 -0.251 119.547 119.800 -0.002 0.000 1.994 469 Q HA -0.044 4.296 4.340 -0.001 0.000 0.198 469 Q C 1.332 177.332 176.000 -0.001 0.000 0.976 469 Q CA 1.557 57.362 55.803 0.003 0.000 0.828 469 Q CB -0.773 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 0.129 4.599 4.470 -0.001 0.000 0.202 470 S C 0.994 175.545 174.600 -0.081 0.000 1.402 470 S CA -0.205 57.984 58.200 -0.019 0.000 1.072 470 S CB -0.177 63.051 63.200 0.046 0.000 1.383 470 S HN 0.246 nan 8.310 nan 0.000 0.458 471 M N 2.110 121.673 119.600 -0.062 0.000 2.319 471 M HA -0.062 4.418 4.480 -0.001 0.000 0.265 471 M C 1.639 177.885 176.300 -0.090 0.000 1.068 471 M CA 1.354 56.614 55.300 -0.067 0.000 1.118 471 M CB -0.041 32.533 32.600 -0.043 0.000 1.395 471 M HN 0.685 nan 8.290 nan 0.000 0.435 472 S N -1.144 114.495 115.700 -0.101 0.000 2.574 472 S HA 0.260 4.729 4.470 -0.001 0.000 0.242 472 S C 0.841 175.344 174.600 -0.162 0.000 0.982 472 S CA -0.543 57.592 58.200 -0.109 0.000 0.977 472 S CB -0.159 62.993 63.200 -0.081 0.000 0.814 472 S HN 0.545 nan 8.310 nan 0.000 0.464 473 L N -0.228 120.847 121.223 -0.247 0.000 2.840 473 L HA 0.314 4.654 4.340 -0.001 0.000 0.249 473 L C 0.633 177.219 176.870 -0.474 0.000 1.119 473 L CA -0.230 54.357 54.840 -0.422 0.000 0.930 473 L CB 0.096 41.749 42.059 -0.677 0.000 1.295 473 L HN 0.264 nan 8.230 nan 0.000 0.534 474 Q N 1.352 120.963 119.800 -0.315 0.000 2.428 474 Q HA 0.277 4.616 4.340 -0.001 0.000 0.276 474 Q C 0.509 176.411 176.000 -0.164 0.000 1.059 474 Q CA -0.093 55.580 55.803 -0.217 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 2.078 124.825 122.820 -0.122 0.000 2.531 475 A HA 0.154 4.474 4.320 -0.001 0.000 0.236 475 A C 0.037 177.546 177.584 -0.124 0.000 1.062 475 A CA 0.264 52.239 52.037 -0.103 0.000 0.760 475 A CB 0.282 19.228 19.000 -0.090 0.000 0.995 475 A HN 0.604 nan 8.150 nan 0.000 0.501 476 R N 0.322 120.748 120.500 -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 1.043 31.288 30.300 -0.092 0.000 1.185 476 R HN 0.732 nan 8.270 nan 0.000 0.484 477 N N -0.455 118.022 118.700 -0.371 0.000 2.332 477 N HA 0.175 4.914 4.740 -0.001 0.000 0.190 477 N C -0.969 173.993 175.510 -0.914 0.000 1.117 477 N CA 0.344 52.924 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 0.163 121.465 121.300 0.004 0.000 3.029 478 W HA 0.590 5.250 4.660 -0.001 0.000 0.339 478 W C -0.608 175.927 176.519 0.027 0.000 1.198 478 W CA -0.816 56.541 57.345 0.019 0.000 1.148 478 W CB 0.831 30.295 29.460 0.007 0.000 1.451 478 W HN -0.355 nan 8.180 nan 0.000 0.564 479 L N 1.934 123.350 121.223 0.323 0.000 2.322 479 L HA 0.626 4.966 4.340 -0.001 0.000 0.269 479 L C -2.104 174.894 176.870 0.213 0.000 1.012 479 L CA -2.806 52.164 54.840 0.217 0.000 0.815 479 L CB 0.579 42.770 42.059 0.218 0.000 1.295 479 L HN 0.049 nan 8.230 nan 0.000 0.438 480 P HA 0.223 nan 4.420 nan 0.000 0.275 480 P C -0.069 177.378 177.300 0.245 0.000 1.266 480 P CA -0.344 62.851 63.100 0.158 0.000 0.793 480 P CB 0.441 32.177 31.700 0.060 0.000 1.074 481 G N 0.590 109.535 108.800 0.241 0.000 2.683 481 G HA2 0.301 4.261 3.960 -0.001 0.000 0.260 481 G HA3 0.301 4.261 3.960 -0.001 0.000 0.260 481 G C -2.297 172.651 174.900 0.079 0.000 1.238 481 G CA -0.931 44.274 45.100 0.175 0.000 0.934 481 G HN 0.363 nan 8.290 nan 0.000 0.534 482 P HA 0.262 nan 4.420 nan 0.000 0.274 482 P C -0.041 177.200 177.300 -0.099 0.000 1.260 482 P CA -0.113 62.865 63.100 -0.204 0.000 0.793 482 P CB 0.830 32.315 31.700 -0.358 0.000 1.048 483 C N -0.811 118.418 119.300 -0.118 0.000 3.239 483 C HA 0.694 5.153 4.460 -0.001 0.000 0.317 483 C C -1.677 173.346 174.990 0.056 0.000 1.310 483 C CA -0.732 58.288 59.018 0.003 0.000 1.371 483 C CB 0.695 28.501 27.740 0.110 0.000 1.714 483 C HN 0.618 nan 8.230 nan 0.000 0.473 484 Y N 1.928 122.199 120.300 -0.049 0.000 2.484 484 Y HA 0.484 5.033 4.550 -0.001 0.000 0.348 484 Y C 0.417 176.311 175.900 -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 3.695 124.108 120.500 -0.146 0.000 2.500 485 R HA -0.001 4.339 4.340 -0.001 0.000 0.281 485 R C -0.382 175.872 176.300 -0.076 0.000 0.953 485 R CA 0.785 56.829 56.100 -0.093 0.000 1.108 485 R CB 0.502 30.730 30.300 -0.120 0.000 0.901 485 R HN 0.614 nan 8.270 nan 0.000 0.410 486 Q N 2.159 121.940 119.800 -0.032 0.000 2.241 486 Q HA 0.134 4.473 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 -0.857 54.914 55.803 -0.055 0.000 0.885 486 Q CB 1.624 30.316 28.738 -0.076 0.000 1.311 486 Q HN 0.504 nan 8.270 nan 0.000 0.461 487 Q N 1.139 120.895 119.800 -0.074 0.000 2.340 487 Q HA 0.151 4.491 4.340 -0.001 0.000 0.249 487 Q C -0.816 175.150 176.000 -0.058 0.000 0.957 487 Q CA 0.161 55.945 55.803 -0.031 0.000 0.882 487 Q CB 0.763 29.540 28.738 0.065 0.000 1.235 487 Q HN 0.381 nan 8.270 nan 0.000 0.439 488 R N 3.005 123.479 120.500 -0.043 0.000 2.308 488 R HA 0.445 4.785 4.340 -0.001 0.000 0.305 488 R C -1.186 175.097 176.300 -0.030 0.000 1.053 488 R CA -0.447 55.618 56.100 -0.058 0.000 0.957 488 R CB 0.356 30.599 30.300 -0.096 0.000 1.022 488 R HN 0.526 nan 8.270 nan 0.000 0.461 489 L N 1.777 122.888 121.223 -0.186 0.000 2.341 489 L HA 0.434 4.773 4.340 -0.001 0.000 0.267 489 L C -0.251 176.514 176.870 -0.176 0.000 1.009 489 L CA -0.183 54.486 54.840 -0.285 0.000 0.819 489 L CB 2.021 43.578 42.059 -0.835 0.000 1.323 489 L HN 0.574 nan 8.230 nan 0.000 0.425 490 S N 0.097 115.763 115.700 -0.057 0.000 2.537 490 S HA 0.455 4.925 4.470 -0.001 0.000 0.301 490 S C 0.743 175.342 174.600 -0.002 0.000 1.092 490 S CA -0.570 57.522 58.200 -0.181 0.000 1.048 490 S CB 1.107 64.141 63.200 -0.277 0.000 1.053 490 S HN 0.641 nan 8.310 nan 0.000 0.501 491 K N 1.112 121.516 120.400 0.007 0.000 2.296 491 K HA 0.031 4.351 4.320 -0.001 0.000 0.200 491 K C 0.195 176.803 176.600 0.012 0.000 1.048 491 K CA 0.731 57.070 56.287 0.086 0.000 0.966 491 K CB -0.203 32.317 32.500 0.034 0.000 0.754 491 K HN 0.541 nan 8.250 nan 0.000 0.466 492 T N 1.750 116.276 114.554 -0.048 0.000 2.727 492 T HA 0.215 4.565 4.350 -0.001 0.000 0.295 492 T C 0.496 175.196 174.700 -0.000 0.000 0.915 492 T CA -0.366 61.714 62.100 -0.033 0.000 1.066 492 T CB 1.297 70.129 68.868 -0.060 0.000 0.891 492 T HN 0.118 nan 8.240 nan 0.000 0.516 493 A N 3.937 126.768 122.820 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 -0.084 51.975 52.037 0.037 0.000 1.288 493 A CB -0.801 18.221 19.000 0.035 0.000 0.833 493 A HN 0.956 nan 8.150 nan 0.000 0.564 494 N N -2.555 116.163 118.700 0.030 0.000 1.952 494 N HA -0.033 4.706 4.740 -0.001 0.000 0.228 494 N C -0.516 175.015 175.510 0.036 0.000 1.398 494 N CA 0.181 53.249 53.050 0.031 0.000 0.817 494 N CB 0.111 38.609 38.487 0.019 0.000 1.101 494 N HN 0.141 nan 8.380 nan 0.000 0.498 495 D N 0.854 121.279 120.400 0.041 0.000 2.323 495 D HA 0.092 4.731 4.640 -0.001 0.000 0.209 495 D C 0.097 176.447 176.300 0.083 0.000 0.973 495 D CA 0.540 54.579 54.000 0.066 0.000 0.874 495 D CB 0.050 40.897 40.800 0.078 0.000 0.930 495 D HN 0.251 nan 8.370 nan 0.000 0.521 496 N N 1.061 119.813 118.700 0.087 0.000 2.463 496 N HA 0.033 4.773 4.740 -0.001 0.000 0.270 496 N C 0.069 175.616 175.510 0.060 0.000 1.205 496 N CA -0.332 52.782 53.050 0.107 0.000 0.974 496 N CB 0.441 39.039 38.487 0.185 0.000 1.197 496 N HN -0.001 nan 8.380 nan 0.000 0.504 497 N N 0.753 119.451 118.700 -0.003 0.000 2.492 497 N HA -0.099 4.641 4.740 -0.001 0.000 0.262 497 N C -0.166 175.364 175.510 0.033 0.000 1.202 497 N CA 0.278 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 1.637 120.352 118.700 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 -0.276 52.806 53.050 0.054 0.000 1.202 498 N CB -0.031 38.475 38.487 0.032 0.000 1.475 498 N HN 0.475 nan 8.380 nan 0.000 0.554 499 S N 0.038 115.812 115.700 0.124 0.000 2.661 499 S HA 0.294 4.764 4.470 -0.001 0.000 0.285 499 S C -0.773 174.022 174.600 0.324 0.000 1.138 499 S CA -1.076 57.223 58.200 0.164 0.000 0.855 499 S CB 1.604 64.860 63.200 0.094 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 5.160 4.740 -0.001 0.000 0.232 500 N C -0.602 175.062 175.510 0.257 0.000 1.027 500 N CA -1.036 52.141 53.050 0.212 0.000 0.920 500 N CB -0.285 38.268 38.487 0.110 0.000 1.148 500 N HN 0.678 nan 8.380 nan 0.000 0.509 501 F N 1.161 121.153 119.950 0.070 0.000 2.791 501 F HA 0.573 5.100 4.527 -0.001 0.000 0.308 501 F C -1.842 174.021 175.800 0.105 0.000 1.138 501 F CA -1.608 56.438 58.000 0.077 0.000 1.294 501 F CB 0.667 39.691 39.000 0.039 0.000 0.975 501 F HN 0.190 nan 8.300 nan 0.000 0.512 502 P HA -0.076 nan 4.420 nan 0.000 0.242 502 P C 0.778 178.185 177.300 0.178 0.000 1.197 502 P CA 1.107 64.160 63.100 -0.078 0.000 0.765 502 P CB -0.053 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 0.907 177.461 176.519 0.057 0.000 1.098 503 W CA 0.844 58.204 57.345 0.025 0.000 1.657 503 W CB -0.116 29.344 29.460 -0.000 0.000 0.773 503 W HN -0.099 nan 8.180 nan 0.000 0.836 504 T N -0.484 114.129 114.554 0.099 0.000 3.055 504 T HA 0.224 4.573 4.350 -0.001 0.000 0.265 504 T C 1.354 176.049 174.700 -0.008 0.000 1.111 504 T CA 1.129 63.226 62.100 -0.005 0.000 1.118 504 T CB 0.044 68.988 68.868 0.126 0.000 0.909 504 T HN 0.087 nan 8.240 nan 0.000 0.501 505 A N 0.233 123.107 122.820 0.090 0.000 2.545 505 A HA 0.835 5.154 4.320 -0.001 0.000 0.263 505 A C 0.998 178.647 177.584 0.108 0.000 1.202 505 A CA -0.073 52.038 52.037 0.124 0.000 0.959 505 A CB 0.098 19.264 19.000 0.276 0.000 1.124 505 A HN 0.633 nan 8.150 nan 0.000 0.543 506 A N -0.007 122.849 122.820 0.060 0.000 2.279 506 A HA 0.670 4.990 4.320 -0.001 0.000 0.303 506 A C 0.376 177.996 177.584 0.061 0.000 1.108 506 A CA -0.244 51.856 52.037 0.106 0.000 0.830 506 A CB 0.380 19.525 19.000 0.241 0.000 1.106 506 A HN 0.239 nan 8.150 nan 0.000 0.493 507 S N 0.791 116.582 115.700 0.152 0.000 2.549 507 S HA 0.452 4.922 4.470 -0.001 0.000 0.279 507 S C 0.007 174.737 174.600 0.216 0.000 1.321 507 S CA -0.219 58.100 58.200 0.198 0.000 1.054 507 S CB 0.173 63.553 63.200 0.300 0.000 0.899 507 S HN 0.668 nan 8.310 nan 0.000 0.497 508 K N 1.139 121.644 120.400 0.175 0.000 2.571 508 K HA 0.581 4.900 4.320 -0.001 0.000 0.289 508 K C -1.611 175.076 176.600 0.144 0.000 1.028 508 K CA -1.049 55.261 56.287 0.039 0.000 0.895 508 K CB 1.159 33.526 32.500 -0.222 0.000 1.534 508 K HN 0.582 nan 8.250 nan 0.000 0.421 509 Y N -1.676 118.648 120.300 0.041 0.000 2.638 509 Y HA 0.620 5.170 4.550 -0.001 0.000 0.339 509 Y C -1.097 174.877 175.900 0.123 0.000 1.084 509 Y CA -1.062 57.073 58.100 0.059 0.000 1.068 509 Y CB 1.641 40.084 38.460 -0.028 0.000 1.294 509 Y HN 0.749 nan 8.280 nan 0.000 0.480 510 H N 1.951 121.175 119.070 0.256 0.000 2.877 510 H HA 0.549 5.105 4.556 -0.001 0.000 0.347 510 H C -2.367 173.099 175.328 0.229 0.000 1.042 510 H CA -1.049 55.092 56.048 0.153 0.000 1.276 510 H CB 1.573 31.379 29.762 0.073 0.000 1.681 510 H HN 0.880 nan 8.280 nan 0.000 0.521 511 L N 4.178 125.485 121.223 0.141 0.000 2.305 511 L HA 0.184 4.523 4.340 -0.001 0.000 0.284 511 L C 0.399 177.339 176.870 0.117 0.000 1.013 511 L CA -0.645 54.234 54.840 0.065 0.000 0.819 511 L CB 1.072 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 4.566 4.740 -0.001 0.000 0.248 512 N C 0.640 176.266 175.510 0.194 0.000 1.076 512 N CA 1.114 54.240 53.050 0.125 0.000 0.696 512 N CB -0.767 37.782 38.487 0.104 0.000 0.979 512 N HN 1.059 nan 8.380 nan 0.000 0.550 513 G N 0.006 109.018 108.800 0.354 0.000 2.273 513 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.280 513 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.280 513 G C -0.106 174.928 174.900 0.224 0.000 1.047 513 G CA 0.595 45.875 45.100 0.300 0.000 0.869 513 G HN 0.750 nan 8.290 nan 0.000 0.502 514 R N 0.397 121.064 120.500 0.278 0.000 2.507 514 R HA 0.279 4.619 4.340 -0.001 0.000 0.298 514 R C -1.118 175.293 176.300 0.185 0.000 1.087 514 R CA -0.835 55.383 56.100 0.197 0.000 0.917 514 R CB 0.794 31.195 30.300 0.169 0.000 1.173 514 R HN 0.133 nan 8.270 nan 0.000 0.472 515 D N 1.972 122.476 120.400 0.173 0.000 2.417 515 D HA 0.097 4.737 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 1.635 117.158 115.700 -0.295 0.000 2.521 516 S HA 0.301 4.770 4.470 -0.001 0.000 0.295 516 S C -0.376 173.954 174.600 -0.450 0.000 1.098 516 S CA -0.763 57.189 58.200 -0.412 0.000 0.999 516 S CB 1.812 64.573 63.200 -0.731 0.000 1.034 516 S HN 0.295 nan 8.310 nan 0.000 0.483 517 L N 4.056 125.188 121.223 -0.152 0.000 2.418 517 L HA 0.307 4.646 4.340 -0.001 0.000 0.274 517 L C -0.239 176.575 176.870 -0.093 0.000 1.135 517 L CA 0.179 54.943 54.840 -0.127 0.000 0.870 517 L CB 0.528 42.533 42.059 -0.091 0.000 1.154 517 L HN 0.506 nan 8.230 nan 0.000 0.462 518 V N 6.866 126.793 119.914 0.022 0.000 2.070 518 V HA -0.003 4.116 4.120 -0.001 0.000 0.239 518 V C 1.369 177.557 176.094 0.156 0.000 1.472 518 V CA 0.121 62.517 62.300 0.159 0.000 1.453 518 V CB -0.962 30.977 31.823 0.195 0.000 1.503 518 V HN 0.914 nan 8.190 nan 0.000 0.501 519 N N 5.274 123.987 118.700 0.021 0.000 2.030 519 N HA -0.027 4.713 4.740 -0.001 0.000 0.194 519 N C -1.897 173.768 175.510 0.259 0.000 1.074 519 N CA 1.074 54.148 53.050 0.041 0.000 0.860 519 N CB -0.435 38.025 38.487 -0.046 0.000 1.055 519 N HN 0.357 nan 8.380 nan 0.000 0.429 520 P HA 0.277 nan 4.420 nan 0.000 0.291 520 P C -0.455 176.922 177.300 0.127 0.000 1.340 520 P CA -0.346 62.842 63.100 0.148 0.000 0.799 520 P CB 1.218 32.984 31.700 0.110 0.000 0.917 521 G N 4.836 113.717 108.800 0.135 0.000 2.509 521 G HA2 0.417 4.377 3.960 -0.001 0.000 0.269 521 G HA3 0.417 4.377 3.960 -0.001 0.000 0.269 521 G C -2.419 172.517 174.900 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 63.259 63.100 -0.004 0.000 0.780 522 P CB 0.321 31.984 31.700 -0.061 0.000 0.858 523 A N 3.467 126.314 122.820 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 52.600 52.037 0.088 0.000 0.805 523 A CB -1.038 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 2.246 121.894 119.600 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 1.105 123.953 122.820 0.047 0.000 2.445 525 A HA 0.329 4.648 4.320 -0.001 0.000 0.242 525 A C 0.770 178.374 177.584 0.033 0.000 1.075 525 A CA -0.171 51.877 52.037 0.018 0.000 0.777 525 A CB 0.220 19.204 19.000 -0.026 0.000 1.013 525 A HN 0.935 nan 8.150 nan 0.000 0.493 526 S N 0.459 116.180 115.700 0.035 0.000 2.395 526 S HA 0.040 4.509 4.470 -0.001 0.000 0.225 526 S C 0.679 175.402 174.600 0.205 0.000 1.027 526 S CA 1.280 59.566 58.200 0.143 0.000 0.965 526 S CB -0.260 63.084 63.200 0.240 0.000 0.812 526 S HN 0.951 nan 8.310 nan 0.000 0.482 527 H N 0.251 119.385 119.070 0.107 0.000 3.037 527 H HA 0.499 5.054 4.556 -0.001 0.000 0.355 527 H C -1.212 174.161 175.328 0.075 0.000 1.263 527 H CA -1.188 54.924 56.048 0.107 0.000 1.129 527 H CB 0.972 30.828 29.762 0.156 0.000 1.861 527 H HN 0.087 nan 8.280 nan 0.000 0.546 528 K N 0.769 121.267 120.400 0.162 0.000 2.179 528 K HA 0.224 4.544 4.320 -0.001 0.000 0.238 528 K C -0.602 176.101 176.600 0.172 0.000 1.033 528 K CA -0.775 55.564 56.287 0.086 0.000 0.926 528 K CB 0.650 33.179 32.500 0.048 0.000 1.151 528 K HN 0.326 nan 8.250 nan 0.000 0.492 529 D N 1.269 121.729 120.400 0.100 0.000 2.449 529 D HA -0.016 4.623 4.640 -0.001 0.000 0.236 529 D C -0.425 175.952 176.300 0.128 0.000 1.149 529 D CA 0.938 55.005 54.000 0.112 0.000 0.878 529 D CB 0.072 40.908 40.800 0.061 0.000 1.198 529 D HN 0.568 nan 8.370 nan 0.000 0.446 530 D N 1.470 121.945 120.400 0.125 0.000 2.699 530 D HA -0.171 4.469 4.640 -0.001 0.000 0.239 530 D C 0.551 176.918 176.300 0.112 0.000 1.136 530 D CA 0.919 54.978 54.000 0.097 0.000 0.668 530 D CB -0.447 40.395 40.800 0.070 0.000 1.060 530 D HN 0.588 nan 8.370 nan 0.000 0.429 531 E N -0.719 119.559 120.200 0.129 0.000 3.470 531 E HA 0.092 4.441 4.350 -0.001 0.000 0.220 531 E C 0.645 177.203 176.600 -0.071 0.000 1.260 531 E CA -0.085 56.383 56.400 0.115 0.000 1.240 531 E CB 0.406 30.257 29.700 0.252 0.000 2.780 531 E HN 0.049 nan 8.360 nan 0.000 0.573 532 E N 0.757 120.713 120.200 -0.407 0.000 3.916 532 E HA -0.264 4.085 4.350 -0.001 0.000 0.331 532 E C 0.769 177.153 176.600 -0.361 0.000 0.729 532 E CA 1.786 57.716 56.400 -0.783 0.000 1.222 532 E CB -1.044 28.456 29.700 -0.333 0.000 1.633 532 E HN 0.318 nan 8.360 nan 0.000 0.437 533 K N -0.982 119.284 120.400 -0.224 0.000 2.399 533 K HA 0.176 4.496 4.320 -0.001 0.000 0.196 533 K C 0.133 176.593 176.600 -0.234 0.000 1.103 533 K CA 0.115 56.260 56.287 -0.237 0.000 0.986 533 K CB 0.262 32.554 32.500 -0.347 0.000 0.952 533 K HN 0.054 nan 8.250 nan 0.000 0.541 534 F N 3.010 122.971 119.950 0.019 0.000 2.404 534 F HA 0.313 4.840 4.527 -0.001 0.000 0.358 534 F C -0.170 175.706 175.800 0.127 0.000 1.120 534 F CA -1.336 56.687 58.000 0.038 0.000 1.144 534 F CB 0.668 39.674 39.000 0.010 0.000 1.133 534 F HN -0.000 nan 8.300 nan 0.000 0.495 535 F N 3.256 123.314 119.950 0.180 0.000 2.508 535 F HA 0.801 5.327 4.527 -0.001 0.000 0.325 535 F C -3.116 172.751 175.800 0.113 0.000 1.090 535 F CA -3.845 54.238 58.000 0.137 0.000 0.945 535 F CB 0.769 39.814 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 0.638 32.373 31.700 0.058 0.000 0.842 537 M N 5.646 125.112 119.600 -0.223 0.000 2.734 537 M HA -0.072 4.408 4.480 -0.001 0.000 0.356 537 M C 1.083 177.095 176.300 -0.480 0.000 1.790 537 M CA 0.812 55.958 55.300 -0.257 0.000 1.231 537 M CB -1.405 31.039 32.600 -0.260 0.000 2.102 537 M HN 0.604 nan 8.290 nan 0.000 0.463 538 H N 0.848 120.036 119.070 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 0.585 56.722 56.048 0.149 0.000 1.158 538 H CB -2.175 27.643 29.762 0.094 0.000 1.325 538 H HN 0.880 nan 8.280 nan 0.000 0.366 539 G N 0.919 109.755 108.800 0.060 0.000 3.155 539 G HA2 0.074 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 0.417 175.405 174.900 0.147 0.000 1.196 539 G CA 0.409 45.565 45.100 0.094 0.000 0.846 539 G HN 0.918 nan 8.290 nan 0.000 0.516 540 N N -1.206 117.586 118.700 0.153 0.000 3.046 540 N HA 0.243 4.983 4.740 -0.001 0.000 0.243 540 N C -1.616 173.913 175.510 0.031 0.000 1.452 540 N CA -0.872 52.244 53.050 0.110 0.000 0.882 540 N CB 0.942 39.498 38.487 0.116 0.000 1.425 540 N HN -0.189 nan 8.380 nan 0.000 0.517 541 L N 0.397 121.597 121.223 -0.037 0.000 2.371 541 L HA 0.521 4.860 4.340 -0.001 0.000 0.272 541 L C 0.016 176.645 176.870 -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 2.797 123.068 120.570 -0.498 0.000 2.499 542 I HA 0.358 4.527 4.170 -0.001 0.000 0.288 542 I C -0.999 174.806 176.117 -0.520 0.000 1.048 542 I CA -0.386 60.659 61.300 -0.425 0.000 1.062 542 I CB 1.474 39.338 38.000 -0.228 0.000 1.238 542 I HN 0.295 nan 8.210 nan 0.000 0.426 543 F N 2.918 122.820 119.950 -0.079 0.000 2.443 543 F HA 0.618 5.144 4.527 -0.001 0.000 0.335 543 F C 0.992 176.757 175.800 -0.058 0.000 1.104 543 F CA -0.737 57.232 58.000 -0.053 0.000 1.013 543 F CB 1.852 40.823 39.000 -0.048 0.000 1.136 543 F HN 0.409 nan 8.300 nan 0.000 0.470 544 G N 2.754 111.639 108.800 0.141 0.000 2.353 544 G HA2 0.342 4.301 3.960 -0.001 0.000 0.284 544 G HA3 0.342 4.301 3.960 -0.001 0.000 0.284 544 G C -0.502 174.420 174.900 0.036 0.000 1.172 544 G CA -0.716 44.417 45.100 0.055 0.000 0.854 544 G HN 0.559 nan 8.290 nan 0.000 0.485 545 K N 0.696 121.093 120.400 -0.004 0.000 2.285 545 K HA 0.031 4.351 4.320 -0.001 0.000 0.255 545 K C 0.306 176.882 176.600 -0.040 0.000 1.000 545 K CA -0.075 56.188 56.287 -0.040 0.000 0.887 545 K CB 0.547 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 0.535 120.693 120.200 -0.069 0.000 2.351 546 E HA 0.100 4.449 4.350 -0.001 0.000 0.266 546 E C -0.296 176.278 176.600 -0.043 0.000 1.031 546 E CA 0.974 57.339 56.400 -0.058 0.000 0.911 546 E CB 0.116 29.760 29.700 -0.093 0.000 0.986 546 E HN 0.630 nan 8.360 nan 0.000 0.446 547 G N 3.686 112.472 108.800 -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 45.183 45.100 -0.019 0.000 1.252 547 G HN 0.629 nan 8.290 nan 0.000 0.483 548 T N 1.403 115.950 114.554 -0.012 0.000 3.578 548 T HA 0.459 4.809 4.350 -0.001 0.000 0.343 548 T C 0.348 175.043 174.700 -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 70.035 68.868 -0.017 0.000 1.160 548 T HN 0.795 nan 8.240 nan 0.000 0.469 549 T N 2.509 117.056 114.554 -0.011 0.000 2.939 549 T HA 0.168 4.518 4.350 -0.001 0.000 0.312 549 T C 1.630 176.324 174.700 -0.010 0.000 1.064 549 T CA 0.279 62.373 62.100 -0.010 0.000 1.136 549 T CB 0.474 69.335 68.868 -0.012 0.000 1.035 549 T HN 0.768 nan 8.240 nan 0.000 0.538 550 A N 2.515 125.330 122.820 -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 0.262 52.292 52.037 -0.011 0.000 0.761 550 A CB 0.163 19.159 19.000 -0.007 0.000 0.801 550 A HN 0.608 nan 8.150 nan 0.000 0.473 551 S N 0.144 115.833 115.700 -0.018 0.000 2.530 551 S HA 0.417 4.887 4.470 -0.001 0.000 0.322 551 S C -0.461 174.127 174.600 -0.020 0.000 1.085 551 S CA -0.702 57.484 58.200 -0.022 0.000 1.096 551 S CB -0.303 62.883 63.200 -0.022 0.000 0.988 551 S HN 0.539 nan 8.310 nan 0.000 0.466 552 N N 2.265 120.952 118.700 -0.022 0.000 2.620 552 N HA -0.202 4.537 4.740 -0.001 0.000 0.293 552 N C -0.499 175.001 175.510 -0.017 0.000 1.178 552 N CA 0.660 53.699 53.050 -0.018 0.000 0.750 552 N CB -0.420 38.057 38.487 -0.017 0.000 0.949 552 N HN 0.670 nan 8.380 nan 0.000 0.555 553 A N 1.213 124.022 122.820 -0.018 0.000 2.306 553 A HA 0.577 4.897 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 0.120 120.308 120.200 -0.020 0.000 2.408 554 E HA 0.179 4.529 4.350 -0.001 0.000 0.259 554 E C 0.884 177.467 176.600 -0.029 0.000 1.110 554 E CA -0.171 56.217 56.400 -0.020 0.000 0.929 554 E CB 0.572 30.261 29.700 -0.019 0.000 0.971 554 E HN 0.554 nan 8.360 nan 0.000 0.438 555 L N 2.438 123.645 121.223 -0.027 0.000 2.265 555 L HA -0.106 4.234 4.340 -0.001 0.000 0.215 555 L C 0.762 177.600 176.870 -0.053 0.000 1.117 555 L CA 1.799 56.612 54.840 -0.044 0.000 0.782 555 L CB -0.092 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 -0.706 119.670 120.400 -0.041 0.000 2.349 556 D HA -0.038 4.602 4.640 -0.001 0.000 0.224 556 D C 0.920 177.193 176.300 -0.045 0.000 1.029 556 D CA 0.328 54.302 54.000 -0.043 0.000 0.879 556 D CB -0.008 40.771 40.800 -0.036 0.000 0.906 556 D HN 0.413 nan 8.370 nan 0.000 0.528 557 N N 0.051 118.725 118.700 -0.044 0.000 2.205 557 N HA 0.025 4.765 4.740 -0.001 0.000 0.201 557 N C 0.241 175.726 175.510 -0.041 0.000 1.128 557 N CA 0.068 53.094 53.050 -0.041 0.000 0.867 557 N CB 1.609 40.076 38.487 -0.033 0.000 0.996 557 N HN 0.098 nan 8.380 nan 0.000 0.503 558 V N -2.115 117.768 119.914 -0.051 0.000 3.113 558 V HA 0.661 4.780 4.120 -0.001 0.000 0.316 558 V C -0.374 175.685 176.094 -0.058 0.000 1.125 558 V CA -0.979 61.290 62.300 -0.051 0.000 1.026 558 V CB 2.446 34.225 31.823 -0.072 0.000 1.080 558 V HN -0.185 nan 8.190 nan 0.000 0.444 559 M N 2.843 122.423 119.600 -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 55.153 55.300 -0.022 0.000 0.918 559 M CB 1.675 34.301 32.600 0.043 0.000 1.504 559 M HN 0.554 nan 8.290 nan 0.000 0.420 560 I N 2.353 122.850 120.570 -0.122 0.000 2.428 560 I HA 0.370 4.540 4.170 -0.001 0.000 0.296 560 I C 0.586 176.640 176.117 -0.105 0.000 0.985 560 I CA -0.681 60.511 61.300 -0.179 0.000 1.260 560 I CB 1.801 39.601 38.000 -0.333 0.000 1.389 560 I HN 0.605 nan 8.210 nan 0.000 0.484 561 T N 0.295 114.782 114.554 -0.111 0.000 2.767 561 T HA 0.308 4.657 4.350 -0.001 0.000 0.288 561 T C -0.554 174.181 174.700 0.059 0.000 0.963 561 T CA -0.848 61.202 62.100 -0.085 0.000 1.019 561 T CB 1.463 70.162 68.868 -0.281 0.000 0.923 561 T HN 0.372 nan 8.240 nan 0.000 0.468 562 D N 2.173 122.651 120.400 0.131 0.000 2.274 562 D HA 0.204 4.843 4.640 -0.001 0.000 0.239 562 D C -0.085 176.339 176.300 0.207 0.000 1.104 562 D CA -0.421 53.698 54.000 0.198 0.000 0.840 562 D CB 0.930 41.868 40.800 0.230 0.000 1.100 562 D HN 0.454 nan 8.370 nan 0.000 0.477 563 E N 3.265 123.569 120.200 0.172 0.000 2.360 563 E HA 0.062 4.411 4.350 -0.001 0.000 0.253 563 E C 0.072 176.690 176.600 0.031 0.000 1.189 563 E CA -0.045 56.434 56.400 0.132 0.000 1.252 563 E CB 0.326 30.110 29.700 0.140 0.000 1.408 563 E HN 0.651 nan 8.360 nan 0.000 0.464 564 E N -0.358 119.843 120.200 0.003 0.000 2.501 564 E HA 0.099 4.448 4.350 -0.001 0.000 0.200 564 E C 0.302 176.870 176.600 -0.054 0.000 1.016 564 E CA 0.035 56.376 56.400 -0.098 0.000 0.921 564 E CB 0.297 29.903 29.700 -0.156 0.000 1.034 564 E HN -0.002 nan 8.360 nan 0.000 0.468 565 E N 1.084 121.265 120.200 -0.032 0.000 2.340 565 E HA 0.081 4.431 4.350 -0.001 0.000 0.194 565 E C 1.704 178.277 176.600 -0.044 0.000 0.996 565 E CA 0.414 56.783 56.400 -0.052 0.000 0.869 565 E CB 0.113 29.764 29.700 -0.082 0.000 0.835 565 E HN 0.533 nan 8.360 nan 0.000 0.493 566 I N -1.892 118.664 120.570 -0.024 0.000 3.855 566 I HA 0.249 4.418 4.170 -0.001 0.000 0.327 566 I C 1.037 177.165 176.117 0.019 0.000 1.359 566 I CA -0.125 61.179 61.300 0.007 0.000 1.142 566 I CB 0.113 38.126 38.000 0.022 0.000 1.041 566 I HN -0.127 nan 8.210 nan 0.000 0.403 567 R N 1.492 121.988 120.500 -0.006 0.000 2.249 567 R HA -0.093 4.247 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 1.910 58.002 56.100 -0.013 0.000 0.997 567 R CB -0.363 29.917 30.300 -0.035 0.000 0.867 567 R HN 0.655 nan 8.270 nan 0.000 0.465 568 T N -3.818 110.750 114.554 0.024 0.000 3.057 568 T HA 0.017 4.367 4.350 -0.001 0.000 0.254 568 T C 1.680 176.386 174.700 0.009 0.000 1.094 568 T CA 0.939 63.051 62.100 0.020 0.000 1.088 568 T CB 0.379 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 -1.598 112.978 114.554 0.036 0.000 2.964 569 T HA 0.316 4.665 4.350 -0.001 0.000 0.250 569 T C 0.321 175.077 174.700 0.093 0.000 0.982 569 T CA -0.475 61.653 62.100 0.047 0.000 0.959 569 T CB -0.251 68.651 68.868 0.057 0.000 1.141 569 T HN 0.339 nan 8.240 nan 0.000 0.494 570 N N 2.181 120.930 118.700 0.082 0.000 2.319 570 N HA 0.608 5.348 4.740 -0.001 0.000 0.305 570 N C -3.104 172.439 175.510 0.054 0.000 1.103 570 N CA -1.898 51.207 53.050 0.092 0.000 0.815 570 N CB 1.781 40.327 38.487 0.099 0.000 1.288 570 N HN 0.059 nan 8.380 nan 0.000 0.493 571 P HA 0.055 nan 4.420 nan 0.000 0.272 571 P C -0.698 176.626 177.300 0.040 0.000 1.230 571 P CA -0.385 62.740 63.100 0.041 0.000 0.788 571 P CB 0.560 32.334 31.700 0.125 0.000 0.949 572 V N 1.386 121.311 119.914 0.018 0.000 2.614 572 V HA 0.184 4.303 4.120 -0.001 0.000 0.291 572 V C 1.637 177.751 176.094 0.034 0.000 1.049 572 V CA 0.438 62.750 62.300 0.019 0.000 1.038 572 V CB 0.234 32.059 31.823 0.004 0.000 0.980 572 V HN 0.710 nan 8.190 nan 0.000 0.481 573 A N 3.797 126.643 122.820 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 2.323 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 -2.565 111.991 114.554 0.004 0.000 3.014 574 T HA 0.068 4.417 4.350 -0.001 0.000 0.263 574 T C 0.763 175.437 174.700 -0.044 0.000 1.078 574 T CA 0.427 62.509 62.100 -0.029 0.000 1.135 574 T CB -0.160 68.684 68.868 -0.040 0.000 0.895 574 T HN 0.379 nan 8.240 nan 0.000 0.480 575 E N 2.393 122.574 120.200 -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 0.478 30.156 29.700 -0.036 0.000 1.057 575 E HN 0.758 nan 8.360 nan 0.000 0.479 576 Q N -0.328 119.460 119.800 -0.020 0.000 2.700 576 Q HA -0.014 4.326 4.340 -0.001 0.000 0.191 576 Q C 0.655 176.691 176.000 0.059 0.000 1.134 576 Q CA 0.044 55.853 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 -1.290 118.985 120.300 -0.041 0.000 2.351 577 Y HA 0.411 4.961 4.550 -0.001 0.000 0.291 577 Y C 0.635 176.521 175.900 -0.024 0.000 1.153 577 Y CA 1.152 59.234 58.100 -0.030 0.000 1.193 577 Y CB 0.832 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 -1.192 107.637 108.800 0.049 0.000 2.588 578 G HA2 0.400 4.359 3.960 -0.001 0.000 0.281 578 G HA3 0.400 4.359 3.960 -0.001 0.000 0.281 578 G C -1.456 173.465 174.900 0.035 0.000 1.223 578 G CA -0.364 44.711 45.100 -0.041 0.000 0.871 578 G HN -0.066 nan 8.290 nan 0.000 0.492 579 T N 0.175 114.745 114.554 0.027 0.000 2.879 579 T HA 0.613 4.963 4.350 -0.001 0.000 0.290 579 T C -0.855 173.865 174.700 0.034 0.000 0.993 579 T CA -0.229 61.885 62.100 0.022 0.000 0.975 579 T CB 1.660 70.527 68.868 -0.001 0.000 0.981 579 T HN 0.616 nan 8.240 nan 0.000 0.439 580 V N 2.166 122.099 119.914 0.031 0.000 2.628 580 V HA 0.851 4.971 4.120 -0.001 0.000 0.306 580 V C 0.349 176.452 176.094 0.016 0.000 1.045 580 V CA -1.203 61.114 62.300 0.028 0.000 0.905 580 V CB 1.727 33.567 31.823 0.028 0.000 0.997 580 V HN 1.063 nan 8.190 nan 0.000 0.436 581 A N 3.165 125.994 122.820 0.015 0.000 2.322 581 A HA 0.676 4.996 4.320 -0.001 0.000 0.269 581 A C 0.424 178.013 177.584 0.008 0.000 1.094 581 A CA -0.380 51.663 52.037 0.011 0.000 0.807 581 A CB 0.179 19.187 19.000 0.013 0.000 1.047 581 A HN 1.061 nan 8.150 nan 0.000 0.487 582 N N 1.137 119.840 118.700 0.005 0.000 2.604 582 N HA 0.122 4.862 4.740 -0.001 0.000 0.284 582 N C -1.200 174.311 175.510 0.002 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 0.000 0.000 1.403 582 N HN 0.740 nan 8.380 nan 0.000 0.501 583 N N -0.208 118.495 118.700 0.004 0.000 3.355 583 N HA 0.202 4.942 4.740 -0.001 0.000 0.238 583 N C -1.729 173.784 175.510 0.006 0.000 1.466 583 N CA -0.583 52.469 53.050 0.004 0.000 0.882 583 N CB 0.719 39.208 38.487 0.002 0.000 1.406 583 N HN 0.047 nan 8.380 nan 0.000 0.500 584 L N 1.404 122.630 121.223 0.005 0.000 2.417 584 L HA 0.273 4.613 4.340 -0.001 0.000 0.258 584 L C 0.118 176.992 176.870 0.006 0.000 1.088 584 L CA -0.851 53.993 54.840 0.007 0.000 0.975 584 L CB 0.509 42.572 42.059 0.007 0.000 1.341 584 L HN 0.601 nan 8.230 nan 0.000 0.431 585 Q N 2.012 121.816 119.800 0.006 0.000 2.349 585 Q HA 0.407 4.747 4.340 -0.001 0.000 0.287 585 Q C 0.040 176.043 176.000 0.004 0.000 1.044 585 Q CA -0.004 55.802 55.803 0.004 0.000 0.918 585 Q CB 1.139 29.880 28.738 0.004 0.000 1.242 585 Q HN 0.558 nan 8.270 nan 0.000 0.405 586 S N 0.472 116.174 115.700 0.002 0.000 2.757 586 S HA 0.429 4.899 4.470 -0.001 0.000 0.285 586 S C 0.449 175.049 174.600 -0.000 0.000 1.196 586 S CA -0.308 57.893 58.200 0.002 0.000 0.856 586 S CB 0.324 63.526 63.200 0.003 0.000 1.212 586 S HN 0.858 nan 8.310 nan 0.000 0.516 587 S N 1.228 116.927 115.700 -0.001 0.000 2.399 587 S HA -0.092 4.378 4.470 -0.001 0.000 0.231 587 S C 1.254 175.853 174.600 -0.002 0.000 1.022 587 S CA 1.110 59.309 58.200 -0.002 0.000 0.983 587 S CB -0.875 62.324 63.200 -0.002 0.000 0.803 587 S HN 0.646 nan 8.310 nan 0.000 0.480 588 N N 1.536 120.235 118.700 -0.001 0.000 2.300 588 N HA 0.044 4.783 4.740 -0.001 0.000 0.179 588 N C -0.053 175.456 175.510 -0.002 0.000 1.016 588 N CA 0.926 53.975 53.050 -0.001 0.000 0.876 588 N CB -0.136 38.351 38.487 -0.001 0.000 0.979 588 N HN 0.424 nan 8.380 nan 0.000 0.432 589 T N 0.414 114.967 114.554 -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 61.292 62.100 -0.001 0.000 0.970 589 T CB 2.418 71.286 68.868 -0.000 0.000 0.950 589 T HN 0.104 nan 8.240 nan 0.000 0.441 590 A N 4.939 127.758 122.820 -0.003 0.000 2.328 590 A HA 0.624 4.944 4.320 -0.001 0.000 0.284 590 A C -2.158 175.425 177.584 -0.002 0.000 1.160 590 A CA -1.662 50.373 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 0.276 31.977 31.700 0.001 0.000 0.785 592 T N 2.561 117.115 114.554 -0.001 0.000 2.867 592 T HA 0.409 4.758 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 0.958 69.824 68.868 -0.003 0.000 0.973 592 T HN 0.234 nan 8.240 nan 0.000 0.465 593 T N 3.357 117.909 114.554 -0.004 0.000 2.824 593 T HA 0.527 4.877 4.350 -0.001 0.000 0.282 593 T C -0.469 174.229 174.700 -0.005 0.000 0.993 593 T CA -0.761 61.338 62.100 -0.003 0.000 0.967 593 T CB 1.114 69.979 68.868 -0.005 0.000 0.960 593 T HN 0.281 nan 8.240 nan 0.000 0.441 594 R N 2.290 122.789 120.500 -0.002 0.000 2.480 594 R HA 0.389 4.729 4.340 -0.001 0.000 0.306 594 R C -0.839 175.461 176.300 0.001 0.000 0.958 594 R CA -0.473 55.624 56.100 -0.004 0.000 0.861 594 R CB 1.460 31.758 30.300 -0.004 0.000 1.171 594 R HN 0.600 nan 8.270 nan 0.000 0.445 595 T N 3.377 117.928 114.554 -0.005 0.000 2.779 595 T HA 0.067 4.416 4.350 -0.001 0.000 0.296 595 T C -0.172 174.531 174.700 0.006 0.000 0.938 595 T CA -0.034 62.066 62.100 0.000 0.000 1.119 595 T CB 0.649 69.510 68.868 -0.012 0.000 0.891 595 T HN 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.845 125.781 119.914 0.036 0.000 2.408 596 V HA 0.272 4.391 4.120 -0.001 0.000 0.267 596 V C 0.604 176.717 176.094 0.033 0.000 1.047 596 V CA -0.343 61.977 62.300 0.034 0.000 0.937 596 V CB 0.457 32.326 31.823 0.075 0.000 0.999 596 V HN 0.833 nan 8.190 nan 0.000 0.472 597 N N 4.464 123.143 118.700 -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 53.165 53.050 -0.067 0.000 0.869 597 N CB 0.613 39.039 38.487 -0.102 0.000 0.983 597 N HN 0.787 nan 8.380 nan 0.000 0.487 598 D N 0.650 120.963 120.400 -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 -0.177 0.000 0.918 598 D CB 1.527 42.225 40.800 -0.170 0.000 1.462 598 D HN -0.254 nan 8.370 nan 0.000 0.559 599 Q N 2.586 122.207 119.800 -0.298 0.000 2.309 599 Q HA 0.657 4.996 4.340 -0.001 0.000 0.270 599 Q C 0.097 175.918 176.000 -0.298 0.000 1.023 599 Q CA -0.710 54.834 55.803 -0.432 0.000 0.758 599 Q CB 1.673 29.799 28.738 -1.020 0.000 1.247 599 Q HN 0.529 nan 8.270 nan 0.000 0.455 600 G N 1.996 110.661 108.800 -0.226 0.000 2.441 600 G HA2 0.489 4.449 3.960 -0.001 0.000 0.258 600 G HA3 0.489 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 44.924 45.100 -0.218 0.000 1.058 600 G HN 0.793 nan 8.290 nan 0.000 0.552 601 A N -1.269 121.403 122.820 -0.245 0.000 2.306 601 A HA 0.746 5.066 4.320 -0.001 0.000 0.314 601 A C -0.606 176.948 177.584 -0.050 0.000 1.164 601 A CA -0.405 51.519 52.037 -0.190 0.000 0.822 601 A CB 0.788 19.594 19.000 -0.323 0.000 1.130 601 A HN 0.512 nan 8.150 nan 0.000 0.496 602 L N 2.096 123.347 121.223 0.046 0.000 2.422 602 L HA 0.413 4.753 4.340 -0.001 0.000 0.264 602 L C -2.535 174.433 176.870 0.163 0.000 0.984 602 L CA -2.016 52.877 54.840 0.089 0.000 0.819 602 L CB 2.673 44.781 42.059 0.082 0.000 1.330 602 L HN 0.439 nan 8.230 nan 0.000 0.410 603 P HA 0.169 nan 4.420 nan 0.000 0.262 603 P C 0.680 178.103 177.300 0.204 0.000 1.199 603 P CA 0.678 63.883 63.100 0.175 0.000 0.763 603 P CB 0.723 32.501 31.700 0.130 0.000 0.790 604 G N 2.478 111.444 108.800 0.277 0.000 2.253 604 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.209 604 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.209 604 G C 0.223 175.361 174.900 0.397 0.000 0.997 604 G CA -0.529 44.804 45.100 0.389 0.000 0.640 604 G HN 0.437 nan 8.290 nan 0.000 0.496 605 M N 1.504 121.300 119.600 0.327 0.000 2.239 605 M HA 0.478 4.957 4.480 -0.001 0.000 0.348 605 M C 0.696 177.215 176.300 0.365 0.000 1.239 605 M CA 0.214 55.726 55.300 0.353 0.000 1.114 605 M CB 1.276 34.088 32.600 0.353 0.000 1.641 605 M HN 0.590 nan 8.290 nan 0.000 0.453 606 V N 1.208 121.304 119.914 0.303 0.000 2.962 606 V HA 0.949 5.069 4.120 -0.001 0.000 0.313 606 V C -1.534 174.742 176.094 0.303 0.000 1.099 606 V CA -0.653 61.711 62.300 0.106 0.000 0.971 606 V CB 1.860 33.581 31.823 -0.170 0.000 1.028 606 V HN 1.125 nan 8.190 nan 0.000 0.430 607 W N 1.505 122.765 121.300 -0.067 0.000 2.959 607 W HA 0.852 5.511 4.660 -0.001 0.000 0.358 607 W C -1.299 175.193 176.519 -0.045 0.000 1.228 607 W CA -0.762 56.555 57.345 -0.047 0.000 1.183 607 W CB 1.389 30.827 29.460 -0.036 0.000 1.467 607 W HN 0.783 nan 8.180 nan 0.000 0.578 608 Q N 1.172 121.094 119.800 0.203 0.000 2.297 608 Q HA 0.456 4.795 4.340 -0.001 0.000 0.269 608 Q C -1.083 175.039 176.000 0.202 0.000 1.051 608 Q CA -0.319 55.526 55.803 0.069 0.000 0.869 608 Q CB 1.722 30.466 28.738 0.010 0.000 1.346 608 Q HN 0.379 nan 8.270 nan 0.000 0.457 609 D N 0.131 120.589 120.400 0.096 0.000 2.440 609 D HA 0.365 5.004 4.640 -0.001 0.000 0.258 609 D C -0.461 175.908 176.300 0.115 0.000 1.092 609 D CA -0.513 53.588 54.000 0.168 0.000 1.016 609 D CB 0.850 41.757 40.800 0.178 0.000 1.141 609 D HN 0.349 nan 8.370 nan 0.000 0.552 610 R N 0.563 121.154 120.500 0.151 0.000 2.679 610 R HA 0.076 4.416 4.340 -0.001 0.000 0.268 610 R C -0.132 176.260 176.300 0.152 0.000 1.044 610 R CA 0.070 56.259 56.100 0.149 0.000 1.105 610 R CB 0.335 30.736 30.300 0.168 0.000 0.989 610 R HN 0.416 nan 8.270 nan 0.000 0.447 611 D N 0.449 120.903 120.400 0.090 0.000 2.371 611 D HA 0.171 4.811 4.640 -0.001 0.000 0.242 611 D C -0.640 175.496 176.300 -0.273 0.000 1.218 611 D CA -0.190 53.784 54.000 -0.043 0.000 0.945 611 D CB 0.937 41.599 40.800 -0.230 0.000 1.137 611 D HN 0.196 nan 8.370 nan 0.000 0.464 612 V N -0.411 119.231 119.914 -0.454 0.000 2.715 612 V HA 0.615 4.735 4.120 -0.001 0.000 0.310 612 V C -1.145 174.666 176.094 -0.471 0.000 1.054 612 V CA -0.728 61.341 62.300 -0.386 0.000 0.928 612 V CB 1.099 32.689 31.823 -0.387 0.000 1.007 612 V HN 0.455 nan 8.190 nan 0.000 0.437 613 Y N 2.341 122.709 120.300 0.113 0.000 2.509 613 Y HA 0.576 5.125 4.550 -0.001 0.000 0.341 613 Y C 0.814 176.474 175.900 -0.401 0.000 1.038 613 Y CA -0.908 57.197 58.100 0.008 0.000 1.089 613 Y CB 1.792 40.313 38.460 0.101 0.000 1.241 613 Y HN 0.627 nan 8.280 nan 0.000 0.468 614 L N 1.603 122.372 121.223 -0.756 0.000 2.151 614 L HA -0.253 4.087 4.340 -0.001 0.000 0.215 614 L C 1.723 178.339 176.870 -0.424 0.000 1.084 614 L CA 2.071 56.094 54.840 -1.362 0.000 0.764 614 L CB -0.394 40.935 42.059 -1.216 0.000 0.891 614 L HN 0.822 nan 8.230 nan 0.000 0.435 615 Q N -1.211 118.464 119.800 -0.209 0.000 2.175 615 Q HA 0.316 4.656 4.340 -0.001 0.000 0.225 615 Q C 0.592 176.604 176.000 0.020 0.000 0.837 615 Q CA 0.349 56.168 55.803 0.027 0.000 1.032 615 Q CB -0.327 28.345 28.738 -0.110 0.000 1.137 615 Q HN 0.377 nan 8.270 nan 0.000 0.483 616 G N 2.047 110.983 108.800 0.228 0.000 2.522 616 G HA2 0.516 4.476 3.960 -0.001 0.000 0.304 616 G HA3 0.516 4.476 3.960 -0.001 0.000 0.304 616 G C -2.776 172.347 174.900 0.371 0.000 1.210 616 G CA -1.407 43.977 45.100 0.473 0.000 0.960 616 G HN 0.076 nan 8.290 nan 0.000 0.497 617 P HA 0.227 nan 4.420 nan 0.000 0.272 617 P C 0.458 177.803 177.300 0.075 0.000 1.223 617 P CA -0.239 62.905 63.100 0.074 0.000 0.784 617 P CB 1.134 32.873 31.700 0.065 0.000 0.923 618 I N -0.508 119.944 120.570 -0.197 0.000 2.726 618 I HA 0.167 4.337 4.170 -0.001 0.000 0.243 618 I C 0.728 177.081 176.117 0.395 0.000 1.082 618 I CA 0.636 61.887 61.300 -0.082 0.000 1.447 618 I CB -0.382 37.560 38.000 -0.096 0.000 1.250 618 I HN 0.436 nan 8.210 nan 0.000 0.453 619 W N 1.057 122.511 121.300 0.256 0.000 3.207 619 W HA 0.823 5.483 4.660 -0.001 0.000 0.326 619 W C -1.183 175.468 176.519 0.220 0.000 1.190 619 W CA -1.202 56.322 57.345 0.298 0.000 1.011 619 W CB 0.816 30.475 29.460 0.332 0.000 1.511 619 W HN -0.035 nan 8.180 nan 0.000 0.606 620 A N 1.331 124.445 122.820 0.491 0.000 2.555 620 A HA 0.465 4.785 4.320 -0.001 0.000 0.297 620 A C -1.413 176.343 177.584 0.287 0.000 1.060 620 A CA -1.116 51.121 52.037 0.334 0.000 0.710 620 A CB 1.391 20.502 19.000 0.185 0.000 1.282 620 A HN 0.723 nan 8.150 nan 0.000 0.399 621 K N 2.295 122.820 120.400 0.208 0.000 2.412 621 K HA 0.389 4.709 4.320 -0.001 0.000 0.281 621 K C -0.656 175.910 176.600 -0.055 0.000 1.027 621 K CA -0.049 56.182 56.287 -0.093 0.000 0.989 621 K CB 0.147 32.404 32.500 -0.404 0.000 0.935 621 K HN 0.578 nan 8.250 nan 0.000 0.475 622 I N 7.753 128.238 120.570 -0.142 0.000 2.379 622 I HA 0.115 4.284 4.170 -0.001 0.000 0.290 622 I C -1.860 174.177 176.117 -0.134 0.000 1.063 622 I CA -2.285 58.920 61.300 -0.157 0.000 1.351 622 I CB 0.937 38.764 38.000 -0.289 0.000 1.410 622 I HN 0.520 nan 8.210 nan 0.000 0.505 623 P HA -0.110 nan 4.420 nan 0.000 0.262 623 P C -0.515 176.859 177.300 0.124 0.000 1.182 623 P CA 0.182 63.320 63.100 0.064 0.000 0.761 623 P CB 0.193 31.955 31.700 0.103 0.000 0.795 624 H N 2.474 121.565 119.070 0.036 0.000 3.216 624 H HA 0.238 4.794 4.556 -0.001 0.000 0.263 624 H C 0.273 175.655 175.328 0.090 0.000 1.601 624 H CA 0.084 56.168 56.048 0.060 0.000 1.509 624 H CB -0.505 29.261 29.762 0.007 0.000 1.759 624 H HN 0.333 nan 8.280 nan 0.000 0.533 625 T N -0.462 114.107 114.554 0.025 0.000 2.905 625 T HA 0.151 4.501 4.350 -0.001 0.000 0.283 625 T C 0.930 175.490 174.700 -0.234 0.000 1.031 625 T CA -0.937 61.129 62.100 -0.057 0.000 1.002 625 T CB 1.293 70.140 68.868 -0.035 0.000 1.200 625 T HN 0.229 nan 8.240 nan 0.000 0.560 626 D N 0.458 120.748 120.400 -0.183 0.000 2.224 626 D HA 0.193 4.832 4.640 -0.001 0.000 0.205 626 D C 0.919 177.034 176.300 -0.308 0.000 0.965 626 D CA 1.096 54.981 54.000 -0.191 0.000 0.852 626 D CB -0.221 40.520 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 -1.108 173.448 174.900 -0.575 0.000 1.391 627 G CA -0.608 44.237 45.100 -0.425 0.000 0.990 627 G HN 0.021 nan 8.290 nan 0.000 0.501 628 H N 0.969 120.062 119.070 0.039 0.000 2.949 628 H HA 0.553 5.109 4.556 -0.001 0.000 0.356 628 H C -0.677 174.753 175.328 0.170 0.000 1.212 628 H CA -0.651 55.440 56.048 0.071 0.000 1.136 628 H CB 2.359 32.135 29.762 0.023 0.000 1.869 628 H HN 0.419 nan 8.280 nan 0.000 0.556 629 F N 0.100 120.153 119.950 0.172 0.000 2.376 629 F HA 0.174 4.701 4.527 -0.001 0.000 0.234 629 F C 0.507 176.451 175.800 0.239 0.000 1.010 629 F CA 0.374 58.474 58.000 0.166 0.000 1.100 629 F CB 0.438 39.512 39.000 0.123 0.000 1.360 629 F HN 0.474 nan 8.300 nan 0.000 0.649 630 H N 2.172 121.262 119.070 0.032 0.000 2.643 630 H HA 0.314 4.869 4.556 -0.001 0.000 0.259 630 H C -2.127 173.263 175.328 0.103 0.000 1.298 630 H CA -1.883 54.159 56.048 -0.010 0.000 1.301 630 H CB 0.767 30.637 29.762 0.180 0.000 1.422 630 H HN 0.081 nan 8.280 nan 0.000 0.521 631 P HA -0.055 nan 4.420 nan 0.000 0.279 631 P C 0.101 177.395 177.300 -0.009 0.000 1.451 631 P CA 0.285 63.364 63.100 -0.035 0.000 0.783 631 P CB -0.230 31.382 31.700 -0.146 0.000 1.490 632 S N 1.554 117.285 115.700 0.052 0.000 2.499 632 S HA 0.322 4.791 4.470 -0.001 0.000 0.275 632 S C -2.288 172.391 174.600 0.132 0.000 1.257 632 S CA -1.703 56.560 58.200 0.105 0.000 1.050 632 S CB -0.187 63.129 63.200 0.193 0.000 0.937 632 S HN -0.057 nan 8.310 nan 0.000 0.490 633 P HA 0.030 nan 4.420 nan 0.000 0.262 633 P C 0.595 177.968 177.300 0.121 0.000 1.182 633 P CA 0.129 63.299 63.100 0.116 0.000 0.761 633 P CB 0.336 32.112 31.700 0.126 0.000 0.795 634 L N 2.249 123.538 121.223 0.110 0.000 2.201 634 L HA -0.092 4.247 4.340 -0.001 0.000 0.212 634 L C 2.018 178.957 176.870 0.115 0.000 1.105 634 L CA 1.363 56.270 54.840 0.111 0.000 0.775 634 L CB -0.474 41.638 42.059 0.087 0.000 0.913 634 L HN 0.472 nan 8.230 nan 0.000 0.440 635 M N -0.520 119.145 119.600 0.109 0.000 2.659 635 M HA 0.151 4.631 4.480 -0.001 0.000 0.243 635 M C 0.814 177.206 176.300 0.153 0.000 1.111 635 M CA 0.494 55.865 55.300 0.118 0.000 1.070 635 M CB -0.192 32.464 32.600 0.092 0.000 1.525 635 M HN 0.329 nan 8.290 nan 0.000 0.517 636 G N -0.202 108.681 108.800 0.139 0.000 2.619 636 G HA2 0.278 4.237 3.960 -0.001 0.000 0.686 636 G HA3 0.278 4.237 3.960 -0.001 0.000 0.686 636 G C -0.273 174.685 174.900 0.097 0.000 1.256 636 G CA -0.574 44.600 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 -0.010 0.000 2.428 637 G HA2 0.389 4.348 3.960 -0.001 0.000 0.202 637 G HA3 0.389 4.348 3.960 -0.001 0.000 0.202 637 G C -0.445 174.332 174.900 -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 1.825 121.933 119.950 0.263 0.000 2.411 638 F HA 0.586 5.113 4.527 -0.001 0.000 0.352 638 F C 1.100 177.036 175.800 0.228 0.000 1.123 638 F CA 0.168 58.303 58.000 0.226 0.000 1.044 638 F CB 2.067 41.212 39.000 0.242 0.000 1.135 638 F HN 0.734 nan 8.300 nan 0.000 0.461 639 G N 4.883 113.850 108.800 0.278 0.000 2.320 639 G HA2 0.610 4.570 3.960 -0.001 0.000 0.300 639 G HA3 0.610 4.570 3.960 -0.001 0.000 0.300 639 G C -1.015 173.956 174.900 0.119 0.000 1.126 639 G CA -0.516 44.686 45.100 0.170 0.000 0.896 639 G HN 0.570 nan 8.290 nan 0.000 0.436 640 L N 2.928 124.204 121.223 0.087 0.000 2.362 640 L HA 0.372 4.712 4.340 -0.001 0.000 0.275 640 L C 1.071 177.839 176.870 -0.171 0.000 0.998 640 L CA -1.115 53.725 54.840 0.001 0.000 0.820 640 L CB 2.334 44.420 42.059 0.046 0.000 1.270 640 L HN 0.434 nan 8.230 nan 0.000 0.415 641 K N 0.922 121.181 120.400 -0.235 0.000 2.057 641 K HA -0.030 4.289 4.320 -0.001 0.000 0.207 641 K C 0.280 176.381 176.600 -0.831 0.000 1.049 641 K CA 1.296 57.289 56.287 -0.491 0.000 0.931 641 K CB 0.062 32.295 32.500 -0.446 0.000 0.714 641 K HN 0.540 nan 8.250 nan 0.000 0.440 642 H N 0.266 119.168 119.070 -0.281 0.000 2.569 642 H HA 0.297 4.853 4.556 -0.001 0.000 0.247 642 H C -2.457 172.796 175.328 -0.126 0.000 1.346 642 H CA -2.121 53.702 56.048 -0.374 0.000 1.502 642 H CB 1.173 30.890 29.762 -0.074 0.000 1.512 642 H HN 0.029 nan 8.280 nan 0.000 0.502 643 P HA 0.155 nan 4.420 nan 0.000 0.276 643 P C -2.599 174.440 177.300 -0.434 0.000 1.261 643 P CA -1.878 61.045 63.100 -0.293 0.000 0.800 643 P CB 0.024 31.562 31.700 -0.270 0.000 1.066 644 P HA 0.023 nan 4.420 nan 0.000 0.258 644 P C -2.099 175.029 177.300 -0.286 0.000 1.172 644 P CA -0.270 62.108 63.100 -1.203 0.000 0.762 644 P CB -1.124 29.907 31.700 -1.115 0.000 0.764 645 P HA 0.030 nan 4.420 nan 0.000 0.272 645 P C -0.485 176.735 177.300 -0.134 0.000 1.240 645 P CA -0.036 63.016 63.100 -0.080 0.000 0.791 645 P CB 0.717 32.271 31.700 -0.244 0.000 0.978 646 Q N 0.629 120.327 119.800 -0.170 0.000 2.286 646 Q HA 0.331 4.671 4.340 -0.001 0.000 0.257 646 Q C -0.453 175.239 176.000 -0.514 0.000 0.941 646 Q CA -0.285 55.325 55.803 -0.322 0.000 0.912 646 Q CB 0.217 28.711 28.738 -0.406 0.000 1.192 646 Q HN 0.329 nan 8.270 nan 0.000 0.410 647 I N 3.040 123.341 120.570 -0.448 0.000 2.337 647 I HA 0.184 4.353 4.170 -0.001 0.000 0.285 647 I C -0.507 175.377 176.117 -0.387 0.000 1.041 647 I CA -0.207 60.776 61.300 -0.528 0.000 1.199 647 I CB 0.612 38.255 38.000 -0.594 0.000 1.370 647 I HN 0.478 nan 8.210 nan 0.000 0.470 648 M N 6.586 125.760 119.600 -0.710 0.000 2.250 648 M HA 0.549 5.029 4.480 -0.001 0.000 0.344 648 M C -0.645 175.638 176.300 -0.029 0.000 1.150 648 M CA -0.243 54.775 55.300 -0.470 0.000 1.147 648 M CB 1.199 33.167 32.600 -1.053 0.000 1.498 648 M HN 0.508 nan 8.290 nan 0.000 0.461 649 I N 3.123 123.842 120.570 0.249 0.000 2.722 649 I HA 0.683 4.853 4.170 -0.001 0.000 0.292 649 I C -1.831 174.285 176.117 -0.001 0.000 1.267 649 I CA -0.294 61.085 61.300 0.132 0.000 1.036 649 I CB 1.638 39.626 38.000 -0.020 0.000 1.281 649 I HN 0.679 nan 8.210 nan 0.000 0.423 650 K N 3.964 124.217 120.400 -0.246 0.000 2.578 650 K HA 0.558 4.878 4.320 -0.001 0.000 0.269 650 K C -1.906 174.519 176.600 -0.292 0.000 0.941 650 K CA -0.667 55.371 56.287 -0.415 0.000 0.847 650 K CB 0.704 32.581 32.500 -1.038 0.000 1.397 650 K HN 0.347 nan 8.250 nan 0.000 0.422 651 N N 1.301 119.904 118.700 -0.161 0.000 2.475 651 N HA 0.155 4.895 4.740 -0.001 0.000 0.267 651 N C -0.743 174.682 175.510 -0.142 0.000 1.169 651 N CA -0.215 52.784 53.050 -0.085 0.000 0.947 651 N CB 0.918 39.406 38.487 0.001 0.000 1.061 651 N HN 0.683 nan 8.380 nan 0.000 0.466 652 T N 3.652 118.122 114.554 -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 -0.697 61.293 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 0.153 nan 4.420 nan 0.000 0.263 653 P C -0.920 176.206 177.300 -0.290 0.000 1.195 653 P CA -0.132 62.464 63.100 -0.840 0.000 0.762 653 P CB 0.345 31.435 31.700 -1.016 0.000 0.799 654 V N 7.061 126.924 119.914 -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 -2.100 60.251 62.300 0.085 0.000 0.814 654 V CB 1.349 33.207 31.823 0.058 0.000 1.021 654 V HN 0.460 nan 8.190 nan 0.000 0.440 655 P HA 0.210 nan 4.420 nan 0.000 0.266 655 P C 0.003 177.362 177.300 0.098 0.000 1.195 655 P CA 0.415 63.514 63.100 -0.002 0.000 0.768 655 P CB 0.773 32.171 31.700 -0.504 0.000 0.838 656 A N 3.113 126.037 122.820 0.174 0.000 2.450 656 A HA 0.251 4.571 4.320 -0.001 0.000 0.281 656 A C 0.104 177.785 177.584 0.161 0.000 1.372 656 A CA -0.667 51.457 52.037 0.145 0.000 0.886 656 A CB -0.334 18.736 19.000 0.116 0.000 1.462 656 A HN 0.591 nan 8.150 nan 0.000 0.514 657 N N 1.066 119.826 118.700 0.101 0.000 2.315 657 N HA 0.164 4.904 4.740 -0.001 0.000 0.270 657 N C -2.435 173.136 175.510 0.102 0.000 1.329 657 N CA -0.434 52.666 53.050 0.084 0.000 0.860 657 N CB 0.074 38.587 38.487 0.043 0.000 1.095 657 N HN 0.333 nan 8.380 nan 0.000 0.487 658 P HA 0.345 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 0.409 32.247 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 -0.057 63.047 63.100 0.007 0.000 0.781 659 P CB 0.214 31.894 31.700 -0.033 0.000 0.906 660 T N -0.674 113.901 114.554 0.036 0.000 2.977 660 T HA -0.056 4.293 4.350 -0.001 0.000 0.271 660 T C 0.954 175.692 174.700 0.063 0.000 1.105 660 T CA 1.308 63.436 62.100 0.047 0.000 1.116 660 T CB -0.193 68.694 68.868 0.033 0.000 0.878 660 T HN 0.476 nan 8.240 nan 0.000 0.509 661 T N 0.982 115.570 114.554 0.056 0.000 2.867 661 T HA 0.474 4.824 4.350 -0.001 0.000 0.282 661 T C -0.907 173.862 174.700 0.115 0.000 1.000 661 T CA -0.969 61.178 62.100 0.078 0.000 1.042 661 T CB 0.299 69.191 68.868 0.040 0.000 0.973 661 T HN 0.138 nan 8.240 nan 0.000 0.465 662 F N 4.631 124.587 119.950 0.011 0.000 2.506 662 F HA 0.488 5.015 4.527 -0.001 0.000 0.371 662 F C 0.300 176.106 175.800 0.010 0.000 1.078 662 F CA -0.317 57.694 58.000 0.018 0.000 1.195 662 F CB 0.351 39.364 39.000 0.022 0.000 1.099 662 F HN 0.400 nan 8.300 nan 0.000 0.548 663 S N 7.583 122.894 115.700 -0.649 0.000 2.498 663 S HA 0.503 4.972 4.470 -0.001 0.000 0.317 663 S C -1.683 172.410 174.600 -0.845 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 0.188 nan 4.420 nan 0.000 0.222 664 P C 0.292 177.492 177.300 -0.166 0.000 1.153 664 P CA 0.254 63.114 63.100 -0.400 0.000 0.798 664 P CB -0.109 31.465 31.700 -0.211 0.000 0.796 665 A N 0.871 123.586 122.820 -0.175 0.000 2.586 665 A HA -0.064 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 -0.027 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 0.832 121.233 120.400 0.003 0.000 2.524 666 K HA 0.011 4.331 4.320 -0.001 0.000 0.279 666 K C -0.731 175.903 176.600 0.056 0.000 0.993 666 K CA 0.258 56.589 56.287 0.073 0.000 1.030 666 K CB 0.040 32.595 32.500 0.091 0.000 0.891 666 K HN 0.485 nan 8.250 nan 0.000 0.488 667 F N 3.017 122.971 119.950 0.007 0.000 2.467 667 F HA 0.216 4.742 4.527 -0.001 0.000 0.362 667 F C 0.705 176.432 175.800 -0.123 0.000 1.090 667 F CA 0.605 58.550 58.000 -0.092 0.000 1.202 667 F CB 1.179 40.117 39.000 -0.104 0.000 1.113 667 F HN 0.667 nan 8.300 nan 0.000 0.541 668 A N 3.034 125.721 122.820 -0.221 0.000 2.474 668 A HA 0.156 4.476 4.320 -0.001 0.000 0.221 668 A C 0.510 177.981 177.584 -0.189 0.000 1.298 668 A CA 0.080 52.078 52.037 -0.066 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 -0.401 0.000 2.411 669 S HA 0.640 5.110 4.470 -0.001 0.000 0.304 669 S C -0.975 173.510 174.600 -0.191 0.000 1.098 669 S CA -0.250 57.822 58.200 -0.213 0.000 1.068 669 S CB -0.618 62.451 63.200 -0.219 0.000 1.032 669 S HN 0.201 nan 8.310 nan 0.000 0.511 670 F N 3.362 123.449 119.950 0.228 0.000 2.579 670 F HA 0.554 5.081 4.527 -0.001 0.000 0.324 670 F C 0.416 176.305 175.800 0.148 0.000 1.058 670 F CA -1.194 56.931 58.000 0.209 0.000 0.944 670 F CB 1.307 40.461 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 0.290 176.529 176.117 0.203 0.000 1.051 671 I CA -0.391 61.035 61.300 0.209 0.000 1.375 671 I CB 0.921 39.011 38.000 0.149 0.000 1.407 671 I HN 0.593 nan 8.210 nan 0.000 0.516 672 T N 4.400 119.043 114.554 0.149 0.000 2.834 672 T HA 0.406 4.755 4.350 -0.001 0.000 0.298 672 T C -0.366 174.400 174.700 0.111 0.000 0.966 672 T CA -0.601 61.567 62.100 0.114 0.000 1.141 672 T CB 0.906 69.818 68.868 0.074 0.000 0.905 672 T HN 0.745 nan 8.240 nan 0.000 0.535 673 Q N 2.057 121.925 119.800 0.112 0.000 2.527 673 Q HA 0.541 4.880 4.340 -0.001 0.000 0.280 673 Q C -1.707 174.383 176.000 0.150 0.000 0.977 673 Q CA -1.346 54.531 55.803 0.124 0.000 0.837 673 Q CB 1.237 30.006 28.738 0.052 0.000 1.454 673 Q HN 0.868 nan 8.270 nan 0.000 0.387 674 Y N -1.021 119.259 120.300 -0.033 0.000 2.633 674 Y HA 0.890 5.440 4.550 -0.001 0.000 0.339 674 Y C -0.791 175.098 175.900 -0.017 0.000 1.045 674 Y CA -0.719 57.355 58.100 -0.042 0.000 1.098 674 Y CB 1.977 40.395 38.460 -0.071 0.000 1.296 674 Y HN 0.871 nan 8.280 nan 0.000 0.494 675 S N 0.339 116.020 115.700 -0.032 0.000 2.599 675 S HA 0.813 5.283 4.470 -0.001 0.000 0.294 675 S C -0.876 173.666 174.600 -0.097 0.000 1.094 675 S CA -0.451 57.692 58.200 -0.095 0.000 0.931 675 S CB 1.852 65.131 63.200 0.131 0.000 1.093 675 S HN 1.113 nan 8.310 nan 0.000 0.488 676 T N -0.315 113.995 114.554 -0.406 0.000 2.932 676 T HA 0.762 5.111 4.350 -0.001 0.000 0.318 676 T C -0.326 173.673 174.700 -1.169 0.000 1.265 676 T CA 0.237 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 2.127 109.774 108.800 -1.922 0.000 2.489 677 G HA2 0.552 4.511 3.960 -0.001 0.000 0.305 677 G HA3 0.552 4.511 3.960 -0.001 0.000 0.305 677 G C -1.988 172.221 174.900 -1.151 0.000 1.311 677 G CA -0.667 43.728 45.100 -1.174 0.000 0.813 677 G HN 0.746 nan 8.290 nan 0.000 0.480 678 Q N -1.272 118.187 119.800 -0.569 0.000 2.215 678 Q HA 0.733 5.072 4.340 -0.001 0.000 0.256 678 Q C -0.588 175.218 176.000 -0.324 0.000 0.972 678 Q CA -0.706 54.812 55.803 -0.475 0.000 0.889 678 Q CB 2.399 30.733 28.738 -0.674 0.000 1.281 678 Q HN 0.785 nan 8.270 nan 0.000 0.456 679 V N 0.299 120.152 119.914 -0.101 0.000 2.709 679 V HA 0.798 4.918 4.120 -0.001 0.000 0.308 679 V C -1.412 174.591 176.094 -0.152 0.000 1.062 679 V CA -0.290 61.912 62.300 -0.163 0.000 0.901 679 V CB 2.265 34.097 31.823 0.015 0.000 1.003 679 V HN 0.696 nan 8.190 nan 0.000 0.425 680 S N 4.150 119.766 115.700 -0.140 0.000 2.526 680 S HA 0.877 5.347 4.470 -0.001 0.000 0.293 680 S C -1.413 173.055 174.600 -0.221 0.000 1.092 680 S CA -0.469 57.676 58.200 -0.091 0.000 0.980 680 S CB 1.708 64.971 63.200 0.105 0.000 1.048 680 S HN 0.851 nan 8.310 nan 0.000 0.483 681 V N 4.379 124.194 119.914 -0.165 0.000 2.524 681 V HA 0.476 4.596 4.120 -0.001 0.000 0.297 681 V C -0.495 175.550 176.094 -0.083 0.000 1.035 681 V CA -0.663 61.538 62.300 -0.165 0.000 0.867 681 V CB 1.590 33.211 31.823 -0.336 0.000 1.004 681 V HN 0.897 nan 8.190 nan 0.000 0.426 682 E N 5.348 125.500 120.200 -0.080 0.000 2.145 682 E HA 0.663 5.013 4.350 -0.001 0.000 0.270 682 E C -1.456 175.092 176.600 -0.087 0.000 0.906 682 E CA -0.508 55.848 56.400 -0.073 0.000 0.761 682 E CB 1.461 31.098 29.700 -0.104 0.000 1.116 682 E HN 0.658 nan 8.360 nan 0.000 0.408 683 I N 3.399 123.906 120.570 -0.104 0.000 2.509 683 I HA 0.284 4.453 4.170 -0.001 0.000 0.293 683 I C -0.238 175.671 176.117 -0.347 0.000 1.020 683 I CA -0.817 60.321 61.300 -0.270 0.000 1.088 683 I CB 2.080 39.809 38.000 -0.453 0.000 1.267 683 I HN 0.538 nan 8.210 nan 0.000 0.430 684 E N 5.396 125.342 120.200 -0.424 0.000 2.175 684 E HA 0.353 4.702 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 1.198 30.797 29.700 -0.169 0.000 1.104 684 E HN 0.392 nan 8.360 nan 0.000 0.395 685 W N 2.885 124.141 121.300 -0.073 0.000 2.587 685 W HA 0.305 4.965 4.660 -0.001 0.000 0.324 685 W C -0.092 176.465 176.519 0.063 0.000 1.040 685 W CA -0.756 56.592 57.345 0.006 0.000 1.222 685 W CB 1.207 30.728 29.460 0.101 0.000 1.381 685 W HN 0.462 nan 8.180 nan 0.000 0.483 686 E N 3.352 123.732 120.200 0.301 0.000 2.227 686 E HA 0.463 4.812 4.350 -0.001 0.000 0.282 686 E C -0.986 175.961 176.600 0.578 0.000 1.015 686 E CA -0.399 56.202 56.400 0.336 0.000 0.823 686 E CB 0.772 30.610 29.700 0.230 0.000 1.081 686 E HN 0.458 nan 8.360 nan 0.000 0.396 687 L N 3.679 125.180 121.223 0.463 0.000 2.325 687 L HA 0.361 4.700 4.340 -0.001 0.000 0.278 687 L C -0.060 176.921 176.870 0.184 0.000 1.023 687 L CA -0.741 54.345 54.840 0.409 0.000 0.811 687 L CB 1.670 43.904 42.059 0.292 0.000 1.249 687 L HN 0.548 nan 8.230 nan 0.000 0.431 688 Q N 3.218 122.993 119.800 -0.042 0.000 2.368 688 Q HA 0.226 4.566 4.340 -0.001 0.000 0.256 688 Q C -0.818 175.111 176.000 -0.117 0.000 0.980 688 Q CA -0.780 54.823 55.803 -0.333 0.000 0.887 688 Q CB 1.116 29.415 28.738 -0.732 0.000 1.221 688 Q HN 0.341 nan 8.270 nan 0.000 0.458 689 K N 2.328 122.635 120.400 -0.156 0.000 2.258 689 K HA 0.065 4.384 4.320 -0.001 0.000 0.264 689 K C -0.159 176.146 176.600 -0.493 0.000 1.007 689 K CA -0.087 56.070 56.287 -0.217 0.000 0.941 689 K CB 0.925 33.319 32.500 -0.177 0.000 0.966 689 K HN 0.674 nan 8.250 nan 0.000 0.480 690 E N 2.218 122.035 120.200 -0.639 0.000 2.316 690 E HA -0.033 4.317 4.350 -0.001 0.000 0.275 690 E C -0.880 175.118 176.600 -1.004 0.000 1.029 690 E CA -0.007 55.604 56.400 -1.316 0.000 0.871 690 E CB 0.447 29.573 29.700 -0.958 0.000 1.022 690 E HN 0.412 nan 8.360 nan 0.000 0.418 691 N N 2.983 120.981 118.700 -1.170 0.000 2.750 691 N HA 0.100 4.839 4.740 -0.001 0.000 0.253 691 N C -1.922 173.469 175.510 -0.199 0.000 1.408 691 N CA -0.281 52.483 53.050 -0.476 0.000 0.780 691 N CB 0.962 39.278 38.487 -0.285 0.000 1.191 691 N HN 0.203 nan 8.380 nan 0.000 0.511 692 S N 1.035 116.644 115.700 -0.152 0.000 2.503 692 S HA 0.462 4.932 4.470 -0.001 0.000 0.301 692 S C 0.174 174.802 174.600 0.048 0.000 1.087 692 S CA -0.590 57.658 58.200 0.081 0.000 1.042 692 S CB 0.701 64.028 63.200 0.211 0.000 1.043 692 S HN 0.302 nan 8.310 nan 0.000 0.489 693 K N 2.150 122.605 120.400 0.092 0.000 2.440 693 K HA 0.151 4.470 4.320 -0.001 0.000 0.206 693 K C 0.267 176.949 176.600 0.137 0.000 1.025 693 K CA -0.250 56.094 56.287 0.095 0.000 1.135 693 K CB -0.061 32.493 32.500 0.092 0.000 0.856 693 K HN 0.548 nan 8.250 nan 0.000 0.502 694 R N 0.986 121.567 120.500 0.135 0.000 2.502 694 R HA -0.110 4.230 4.340 -0.001 0.000 0.292 694 R C 1.070 177.471 176.300 0.168 0.000 0.998 694 R CA 0.248 56.441 56.100 0.154 0.000 1.056 694 R CB 0.039 30.421 30.300 0.138 0.000 0.939 694 R HN 0.287 nan 8.270 nan 0.000 0.411 695 W N 5.811 127.130 121.300 0.031 0.000 2.441 695 W HA -0.076 4.584 4.660 -0.001 0.000 0.302 695 W C -0.255 176.277 176.519 0.022 0.000 1.191 695 W CA 0.949 58.307 57.345 0.021 0.000 1.327 695 W CB -0.114 29.357 29.460 0.018 0.000 1.128 695 W HN 0.748 nan 8.180 nan 0.000 0.522 696 N N 1.947 120.760 118.700 0.189 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 -1.297 51.803 53.050 0.083 0.000 0.959 696 N CB -0.397 38.185 38.487 0.159 0.000 1.142 696 N HN -0.133 nan 8.380 nan 0.000 0.455 697 P HA 0.060 nan 4.420 nan 0.000 0.267 697 P C -0.244 177.077 177.300 0.035 0.000 1.200 697 P CA 0.312 63.406 63.100 -0.010 0.000 0.772 697 P CB 0.550 32.242 31.700 -0.014 0.000 0.855 698 E N 1.212 121.442 120.200 0.050 0.000 2.254 698 E HA 0.381 4.731 4.350 -0.001 0.000 0.261 698 E C 0.235 176.891 176.600 0.094 0.000 1.051 698 E CA -1.055 55.395 56.400 0.084 0.000 0.902 698 E CB 0.922 30.692 29.700 0.117 0.000 1.168 698 E HN 0.440 nan 8.360 nan 0.000 0.423 699 I N -0.955 119.683 120.570 0.113 0.000 2.529 699 I HA 0.155 4.325 4.170 -0.001 0.000 0.284 699 I C -0.349 175.927 176.117 0.264 0.000 1.082 699 I CA -0.365 61.021 61.300 0.142 0.000 1.406 699 I CB 0.536 38.593 38.000 0.094 0.000 1.405 699 I HN 0.181 nan 8.210 nan 0.000 0.548 700 Q N 4.871 124.830 119.800 0.265 0.000 2.387 700 Q HA 0.307 4.646 4.340 -0.001 0.000 0.273 700 Q C -1.343 174.843 176.000 0.310 0.000 1.089 700 Q CA -0.807 55.158 55.803 0.270 0.000 0.824 700 Q CB 2.671 31.472 28.738 0.106 0.000 1.367 700 Q HN 0.796 nan 8.270 nan 0.000 0.443 701 Y N 0.833 121.087 120.300 -0.077 0.000 2.346 701 Y HA 0.301 4.851 4.550 -0.001 0.000 0.330 701 Y C -0.117 175.787 175.900 0.007 0.000 1.178 701 Y CA 0.848 58.907 58.100 -0.069 0.000 1.331 701 Y CB 0.971 39.169 38.460 -0.438 0.000 1.253 701 Y HN 0.621 nan 8.280 nan 0.000 0.529 702 T N 3.605 117.794 114.554 -0.610 0.000 2.840 702 T HA 0.444 4.793 4.350 -0.001 0.000 0.317 702 T C -1.225 173.236 174.700 -0.399 0.000 1.401 702 T CA -0.746 61.178 62.100 -0.293 0.000 1.028 702 T CB 0.843 69.658 68.868 -0.088 0.000 1.317 702 T HN 0.625 nan 8.240 nan 0.000 0.495 703 S N 1.859 117.507 115.700 -0.088 0.000 2.632 703 S HA 0.408 4.877 4.470 -0.001 0.000 0.271 703 S C 0.054 174.674 174.600 0.034 0.000 1.260 703 S CA -0.699 57.502 58.200 0.002 0.000 1.010 703 S CB 0.283 63.550 63.200 0.112 0.000 0.965 703 S HN 0.731 nan 8.310 nan 0.000 0.534 704 N N 1.716 120.432 118.700 0.027 0.000 2.416 704 N HA 0.072 4.811 4.740 -0.001 0.000 0.265 704 N C 0.609 176.131 175.510 0.019 0.000 1.195 704 N CA -0.154 52.903 53.050 0.011 0.000 0.943 704 N CB 0.184 38.637 38.487 -0.056 0.000 1.115 704 N HN 0.738 nan 8.380 nan 0.000 0.481 705 Y N 1.014 121.314 120.300 -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 2.825 121.155 118.700 -0.616 0.000 2.441 706 N HA -0.065 4.675 4.740 -0.001 0.000 0.251 706 N C -0.365 175.025 175.510 -0.200 0.000 1.242 706 N CA 0.001 52.748 53.050 -0.505 0.000 0.898 706 N CB 0.556 38.787 38.487 -0.428 0.000 1.100 706 N HN 0.367 nan 8.380 nan 0.000 0.443 707 K N 0.873 121.190 120.400 -0.138 0.000 2.437 707 K HA -0.035 4.285 4.320 -0.001 0.000 0.277 707 K C -0.222 176.337 176.600 -0.067 0.000 1.073 707 K CA 0.419 56.665 56.287 -0.069 0.000 1.105 707 K CB 0.169 32.640 32.500 -0.048 0.000 0.881 707 K HN 0.442 nan 8.250 nan 0.000 0.475 708 S N 2.747 118.419 115.700 -0.046 0.000 2.634 708 S HA 0.352 4.821 4.470 -0.001 0.000 0.296 708 S C 0.859 175.441 174.600 -0.030 0.000 1.104 708 S CA -1.044 57.131 58.200 -0.042 0.000 0.920 708 S CB 1.569 64.746 63.200 -0.039 0.000 1.111 708 S HN 0.359 nan 8.310 nan 0.000 0.493 709 V N 2.706 122.600 119.914 -0.033 0.000 2.238 709 V HA 0.022 4.142 4.120 -0.001 0.000 0.235 709 V C 0.722 176.800 176.094 -0.026 0.000 1.037 709 V CA 1.386 63.668 62.300 -0.030 0.000 0.991 709 V CB -0.831 30.970 31.823 -0.036 0.000 0.638 709 V HN 0.825 nan 8.190 nan 0.000 0.457 710 N N -0.748 117.932 118.700 -0.034 0.000 2.466 710 N HA 0.479 5.218 4.740 -0.001 0.000 0.294 710 N C -1.031 174.466 175.510 -0.023 0.000 1.129 710 N CA -0.613 52.417 53.050 -0.033 0.000 0.931 710 N CB 2.059 40.513 38.487 -0.056 0.000 1.193 710 N HN 0.079 nan 8.380 nan 0.000 0.500 711 V N 1.391 121.303 119.914 -0.003 0.000 2.583 711 V HA 0.042 4.161 4.120 -0.001 0.000 0.287 711 V C -0.071 176.040 176.094 0.028 0.000 1.051 711 V CA -0.399 61.919 62.300 0.030 0.000 1.010 711 V CB 0.831 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 4.243 124.684 120.400 0.068 0.000 2.493 712 D HA 0.184 4.824 4.640 -0.001 0.000 0.240 712 D C 0.107 176.541 176.300 0.223 0.000 1.142 712 D CA 0.596 54.637 54.000 0.069 0.000 0.872 712 D CB -0.051 40.876 40.800 0.211 0.000 1.173 712 D HN 0.476 nan 8.370 nan 0.000 0.467 713 F N -0.148 119.763 119.950 -0.064 0.000 2.781 713 F HA -0.263 4.264 4.527 -0.001 0.000 0.350 713 F C 0.320 176.147 175.800 0.045 0.000 1.048 713 F CA 0.343 58.287 58.000 -0.093 0.000 1.134 713 F CB -1.764 37.298 39.000 0.103 0.000 1.440 713 F HN 0.163 nan 8.300 nan 0.000 0.799 714 T N -0.834 113.684 114.554 -0.060 0.000 2.792 714 T HA 0.686 5.036 4.350 -0.001 0.000 0.303 714 T C -0.181 174.471 174.700 -0.081 0.000 1.310 714 T CA -0.427 61.714 62.100 0.069 0.000 1.007 714 T CB 2.147 71.050 68.868 0.059 0.000 1.335 714 T HN 0.364 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 4.824 4.120 -0.001 0.000 0.304 715 V C 0.038 176.085 176.094 -0.080 0.000 1.073 715 V CA -0.631 61.593 62.300 -0.128 0.000 1.064 715 V CB 0.646 32.368 31.823 -0.168 0.000 1.047 715 V HN 0.989 nan 8.190 nan 0.000 0.478 716 D N 1.002 121.356 120.400 -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 40.753 40.800 -0.067 0.000 1.186 716 D HN 0.671 nan 8.370 nan 0.000 0.620 717 T N -2.145 112.391 114.554 -0.030 0.000 2.737 717 T HA -0.243 4.107 4.350 -0.001 0.000 0.269 717 T C 0.828 175.519 174.700 -0.015 0.000 1.040 717 T CA 1.667 63.755 62.100 -0.019 0.000 1.142 717 T CB -0.977 67.879 68.868 -0.019 0.000 0.861 717 T HN 0.605 nan 8.240 nan 0.000 0.456 718 N N 0.865 119.553 118.700 -0.019 0.000 2.380 718 N HA 0.440 5.179 4.740 -0.001 0.000 0.255 718 N C 0.689 176.191 175.510 -0.013 0.000 1.158 718 N CA -0.084 52.959 53.050 -0.013 0.000 0.878 718 N CB 0.079 38.558 38.487 -0.013 0.000 1.138 718 N HN 0.577 nan 8.380 nan 0.000 0.509 719 G N 0.019 108.808 108.800 -0.019 0.000 2.381 719 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.281 719 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.281 719 G C -0.761 174.123 174.900 -0.028 0.000 0.984 719 G CA 0.133 45.220 45.100 -0.021 0.000 1.339 719 G HN 0.355 nan 8.290 nan 0.000 0.485 720 V N 2.859 122.741 119.914 -0.054 0.000 2.532 720 V HA 0.366 4.485 4.120 -0.001 0.000 0.294 720 V C -0.042 176.002 176.094 -0.083 0.000 1.036 720 V CA -1.329 60.943 62.300 -0.047 0.000 0.876 720 V CB 1.518 33.317 31.823 -0.040 0.000 1.012 720 V HN 0.610 nan 8.190 nan 0.000 0.432 721 Y N 4.510 124.667 120.300 -0.238 0.000 2.511 721 Y HA 0.493 5.043 4.550 -0.001 0.000 0.332 721 Y C 0.685 176.486 175.900 -0.165 0.000 1.177 721 Y CA 0.305 58.229 58.100 -0.294 0.000 1.422 721 Y CB 1.062 39.282 38.460 -0.401 0.000 1.271 721 Y HN 0.734 nan 8.280 nan 0.000 0.550 722 S N 4.394 119.584 115.700 -0.849 0.000 2.572 722 S HA 0.441 4.911 4.470 -0.001 0.000 0.274 722 S C -1.601 172.498 174.600 -0.835 0.000 1.150 722 S CA -1.189 56.627 58.200 -0.640 0.000 0.944 722 S CB 1.370 64.345 63.200 -0.376 0.000 1.071 722 S HN 0.683 nan 8.310 nan 0.000 0.479 723 E N 2.998 122.812 120.200 -0.644 0.000 2.130 723 E HA 0.255 4.604 4.350 -0.001 0.000 0.284 723 E C -1.906 174.289 176.600 -0.675 0.000 1.018 723 E CA -2.087 53.871 56.400 -0.737 0.000 0.817 723 E CB 0.733 30.281 29.700 -0.255 0.000 1.078 723 E HN 0.369 nan 8.360 nan 0.000 0.396 724 P HA -0.168 nan 4.420 nan 0.000 0.214 724 P C -0.010 177.125 177.300 -0.275 0.000 1.162 724 P CA 1.321 64.121 63.100 -0.501 0.000 0.879 724 P CB 0.227 31.633 31.700 -0.490 0.000 0.786 725 R N -2.021 118.360 120.500 -0.198 0.000 2.808 725 R HA 0.589 4.928 4.340 -0.001 0.000 0.272 725 R C -3.218 173.132 176.300 0.083 0.000 0.995 725 R CA -2.368 53.735 56.100 0.006 0.000 0.917 725 R CB 0.432 30.800 30.300 0.114 0.000 1.217 725 R HN -0.230 nan 8.270 nan 0.000 0.471 726 P HA 0.171 nan 4.420 nan 0.000 0.271 726 P C -0.595 176.833 177.300 0.214 0.000 1.216 726 P CA -0.259 62.867 63.100 0.044 0.000 0.771 726 P CB 0.482 32.177 31.700 -0.008 0.000 0.864 727 I N 2.687 123.405 120.570 0.246 0.000 2.339 727 I HA 0.310 4.479 4.170 -0.001 0.000 0.290 727 I C 1.272 177.746 176.117 0.595 0.000 0.994 727 I CA -0.265 61.242 61.300 0.345 0.000 1.191 727 I CB 0.855 38.909 38.000 0.091 0.000 1.343 727 I HN 0.415 nan 8.210 nan 0.000 0.458 728 G N 3.629 112.813 108.800 0.641 0.000 2.468 728 G HA2 0.243 4.203 3.960 -0.001 0.000 0.264 728 G HA3 0.243 4.203 3.960 -0.001 0.000 0.264 728 G C 0.511 175.638 174.900 0.378 0.000 1.460 728 G CA 0.301 45.682 45.100 0.469 0.000 1.060 728 G HN 0.572 nan 8.290 nan 0.000 0.543 729 T N -1.614 113.093 114.554 0.255 0.000 3.073 729 T HA 0.171 4.520 4.350 -0.001 0.000 0.264 729 T C 0.798 175.637 174.700 0.232 0.000 0.893 729 T CA -0.282 61.915 62.100 0.162 0.000 0.863 729 T CB 0.108 69.038 68.868 0.104 0.000 1.247 729 T HN 0.320 nan 8.240 nan 0.000 0.546 730 R N 1.288 121.914 120.500 0.210 0.000 2.825 730 R HA 0.341 4.681 4.340 -0.001 0.000 0.261 730 R C -0.348 176.005 176.300 0.087 0.000 1.341 730 R CA -0.169 55.978 56.100 0.078 0.000 1.353 730 R CB 0.201 30.444 30.300 -0.094 0.000 1.191 730 R HN 0.337 nan 8.270 nan 0.000 0.590 731 Y N 0.217 120.543 120.300 0.044 0.000 2.559 731 Y HA 0.181 4.731 4.550 -0.001 0.000 0.279 731 Y C 0.953 176.904 175.900 0.084 0.000 1.117 731 Y CA 0.018 58.163 58.100 0.073 0.000 1.263 731 Y CB 0.582 39.097 38.460 0.092 0.000 1.230 731 Y HN 0.210 nan 8.280 nan 0.000 0.528 732 L N 0.845 122.233 121.223 0.275 0.000 2.439 732 L HA 0.319 4.659 4.340 -0.001 0.000 0.261 732 L C 0.444 177.389 176.870 0.125 0.000 1.153 732 L CA -0.397 54.614 54.840 0.286 0.000 0.808 732 L CB 0.915 43.297 42.059 0.538 0.000 1.126 732 L HN 0.082 nan 8.230 nan 0.000 0.460 733 T N -0.027 114.594 114.554 0.112 0.000 2.829 733 T HA 0.553 4.902 4.350 -0.001 0.000 0.280 733 T C -0.513 174.070 174.700 -0.196 0.000 0.999 733 T CA -0.899 61.182 62.100 -0.033 0.000 0.983 733 T CB 2.211 71.107 68.868 0.047 0.000 0.968 733 T HN 0.643 nan 8.240 nan 0.000 0.446 734 R N 2.074 122.375 120.500 -0.331 0.000 2.854 734 R HA 0.511 4.851 4.340 -0.001 0.000 0.271 734 R C -0.883 175.370 176.300 -0.077 0.000 0.994 734 R CA -0.700 55.159 56.100 -0.402 0.000 0.945 734 R CB 1.397 31.072 30.300 -1.042 0.000 1.194 734 R HN 0.761 nan 8.270 nan 0.000 0.476 735 N N 1.026 119.718 118.700 -0.013 0.000 2.463 735 N HA 0.285 5.024 4.740 -0.001 0.000 0.270 735 N C -0.138 175.436 175.510 0.107 0.000 1.205 735 N CA -0.393 52.696 53.050 0.066 0.000 0.974 735 N CB 0.575 39.090 38.487 0.047 0.000 1.197 735 N HN 0.364 nan 8.380 nan 0.000 0.504 736 L N 0.000 121.254 121.223 0.052 0.000 2.949 736 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 736 L CA 0.000 54.793 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