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_G 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 0.032 0.000 1.102 218 A CA -0.576 51.485 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 0.699 177.018 176.300 0.031 0.000 1.151 219 D CA 0.219 54.238 54.000 0.031 0.000 1.089 219 D CB 1.417 42.236 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 4.393 3.960 -0.001 0.000 0.291 220 G HA3 0.433 4.393 3.960 -0.001 0.000 0.291 220 G C 0.883 175.798 174.900 0.024 0.000 1.345 220 G CA -0.298 44.816 45.100 0.023 0.000 1.043 220 G HN 0.205 nan 8.290 nan 0.000 0.528 221 V N 0.551 120.476 119.914 0.018 0.000 2.255 221 V HA 0.033 4.152 4.120 -0.001 0.000 0.243 221 V C 2.526 178.629 176.094 0.013 0.000 1.038 221 V CA 2.121 64.430 62.300 0.015 0.000 1.008 221 V CB -0.653 31.175 31.823 0.009 0.000 0.645 221 V HN 0.760 nan 8.190 nan 0.000 0.449 222 G N 0.751 109.558 108.800 0.011 0.000 3.530 222 G HA2 0.149 4.108 3.960 -0.001 0.000 0.269 222 G HA3 0.149 4.108 3.960 -0.001 0.000 0.269 222 G C -0.030 174.878 174.900 0.014 0.000 1.314 222 G CA 0.022 45.127 45.100 0.010 0.000 1.441 222 G HN 0.472 nan 8.290 nan 0.000 0.595 223 N N -0.018 118.694 118.700 0.020 0.000 2.519 223 N HA 0.266 5.005 4.740 -0.001 0.000 0.291 223 N C -0.058 175.474 175.510 0.038 0.000 1.107 223 N CA -0.524 52.541 53.050 0.025 0.000 0.904 223 N CB 1.404 39.904 38.487 0.022 0.000 1.500 223 N HN 0.036 nan 8.380 nan 0.000 0.510 224 S N 1.542 117.267 115.700 0.043 0.000 2.549 224 S HA 0.086 4.555 4.470 -0.001 0.000 0.286 224 S C 0.835 175.480 174.600 0.075 0.000 1.314 224 S CA -0.224 58.018 58.200 0.070 0.000 1.062 224 S CB 0.669 63.914 63.200 0.075 0.000 0.865 224 S HN 0.612 nan 8.310 nan 0.000 0.498 225 S N 1.106 116.878 115.700 0.120 0.000 2.618 225 S HA 0.581 5.050 4.470 -0.001 0.000 0.242 225 S C 0.654 175.299 174.600 0.076 0.000 0.972 225 S CA -0.254 58.014 58.200 0.113 0.000 1.004 225 S CB -0.695 62.598 63.200 0.155 0.000 0.778 225 S HN 1.543 nan 8.310 nan 0.000 0.459 226 G N 0.360 109.169 108.800 0.014 0.000 2.328 226 G HA2 0.325 4.284 3.960 -0.001 0.000 0.299 226 G HA3 0.325 4.284 3.960 -0.001 0.000 0.299 226 G C -1.900 172.900 174.900 -0.166 0.000 1.435 226 G CA -1.072 43.852 45.100 -0.293 0.000 0.865 226 G HN 0.281 nan 8.290 nan 0.000 0.601 227 N N -1.028 117.485 118.700 -0.312 0.000 2.545 227 N HA 0.466 5.205 4.740 -0.001 0.000 0.289 227 N C -1.010 174.405 175.510 -0.158 0.000 1.279 227 N CA -0.849 52.094 53.050 -0.179 0.000 0.824 227 N CB 2.208 40.518 38.487 -0.294 0.000 1.395 227 N HN 0.532 nan 8.380 nan 0.000 0.526 228 W N 2.576 123.724 121.300 -0.254 0.000 2.367 228 W HA 0.189 4.849 4.660 -0.001 0.000 0.329 228 W C -1.055 175.293 176.519 -0.284 0.000 1.066 228 W CA 0.025 57.294 57.345 -0.127 0.000 1.435 228 W CB -0.087 29.343 29.460 -0.049 0.000 1.296 228 W HN 0.479 nan 8.180 nan 0.000 0.401 229 H N 5.319 124.294 119.070 -0.158 0.000 2.700 229 H HA 0.180 4.736 4.556 -0.001 0.000 0.269 229 H C -0.205 174.996 175.328 -0.211 0.000 1.222 229 H CA -0.216 55.762 56.048 -0.117 0.000 1.254 229 H CB 0.968 30.654 29.762 -0.126 0.000 1.413 229 H HN 0.165 nan 8.280 nan 0.000 0.507 230 C N 4.104 123.405 119.300 0.001 0.000 2.437 230 C HA 0.386 4.846 4.460 -0.001 0.000 0.307 230 C C -0.542 174.501 174.990 0.089 0.000 1.093 230 C CA -0.278 58.746 59.018 0.009 0.000 1.463 230 C CB -0.709 27.092 27.740 0.102 0.000 1.926 230 C HN 0.873 nan 8.230 nan 0.000 0.420 231 D N 1.919 122.346 120.400 0.046 0.000 2.665 231 D HA 0.712 5.352 4.640 -0.001 0.000 0.287 231 D C -1.289 175.013 176.300 0.002 0.000 1.266 231 D CA 0.179 54.208 54.000 0.048 0.000 0.830 231 D CB 2.295 43.134 40.800 0.066 0.000 1.356 231 D HN 0.594 nan 8.370 nan 0.000 0.437 232 S N 0.503 116.206 115.700 0.005 0.000 2.562 232 S HA 0.703 5.173 4.470 -0.001 0.000 0.274 232 S C -1.863 172.722 174.600 -0.026 0.000 1.160 232 S CA -0.811 57.348 58.200 -0.069 0.000 0.933 232 S CB 1.561 64.692 63.200 -0.115 0.000 1.100 232 S HN 0.423 nan 8.310 nan 0.000 0.468 233 Q N 1.421 121.161 119.800 -0.100 0.000 2.416 233 Q HA 0.746 5.086 4.340 -0.001 0.000 0.281 233 Q C -1.866 174.085 176.000 -0.082 0.000 1.067 233 Q CA -0.502 55.317 55.803 0.027 0.000 0.809 233 Q CB 0.485 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 1.420 122.739 121.300 0.031 0.000 2.512 234 W HA 0.578 5.237 4.660 -0.001 0.000 0.335 234 W C -0.061 176.475 176.519 0.028 0.000 1.088 234 W CA -0.777 56.590 57.345 0.035 0.000 1.236 234 W CB 1.012 30.487 29.460 0.025 0.000 1.307 234 W HN 0.487 nan 8.180 nan 0.000 0.567 235 L N 3.299 124.663 121.223 0.235 0.000 3.122 235 L HA 0.244 4.584 4.340 -0.001 0.000 0.274 235 L C 1.624 178.578 176.870 0.139 0.000 1.222 235 L CA 0.719 55.646 54.840 0.145 0.000 1.028 235 L CB -0.673 41.438 42.059 0.086 0.000 1.386 235 L HN 0.999 nan 8.230 nan 0.000 0.578 236 G N 1.049 109.964 108.800 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 46.286 45.100 0.129 0.000 0.633 236 G HN 0.396 nan 8.290 nan 0.000 0.537 237 D N 0.026 120.496 120.400 0.118 0.000 2.449 237 D HA 0.225 4.865 4.640 -0.001 0.000 0.210 237 D C 1.100 177.490 176.300 0.150 0.000 1.094 237 D CA 0.938 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 -1.606 118.989 120.500 0.159 0.000 2.741 238 R HA 0.573 4.913 4.340 -0.001 0.000 0.276 238 R C -2.040 174.321 176.300 0.102 0.000 1.028 238 R CA -0.993 55.201 56.100 0.156 0.000 0.865 238 R CB 1.044 31.410 30.300 0.109 0.000 1.268 238 R HN -0.121 nan 8.270 nan 0.000 0.475 239 V N 1.667 121.604 119.914 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 1.937 33.317 31.823 -0.739 0.000 1.008 239 V HN 0.678 nan 8.190 nan 0.000 0.424 240 I N 5.721 126.193 120.570 -0.163 0.000 2.362 240 I HA 0.538 4.708 4.170 -0.001 0.000 0.289 240 I C 0.407 176.442 176.117 -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 40.006 38.000 -0.082 0.000 1.315 240 I HN 0.792 nan 8.210 nan 0.000 0.451 241 T N 1.449 115.961 114.554 -0.071 0.000 2.771 241 T HA 0.723 5.073 4.350 -0.001 0.000 0.281 241 T C -0.124 174.553 174.700 -0.037 0.000 0.982 241 T CA -0.633 61.398 62.100 -0.115 0.000 0.978 241 T CB 1.020 69.758 68.868 -0.217 0.000 0.930 241 T HN 0.475 nan 8.240 nan 0.000 0.447 242 T N 2.442 116.969 114.554 -0.045 0.000 2.829 242 T HA 0.675 5.025 4.350 -0.001 0.000 0.280 242 T C -0.535 174.138 174.700 -0.045 0.000 0.999 242 T CA -0.807 61.269 62.100 -0.040 0.000 0.983 242 T CB 1.641 70.481 68.868 -0.045 0.000 0.968 242 T HN 0.701 nan 8.240 nan 0.000 0.446 243 S N 1.605 117.262 115.700 -0.071 0.000 2.619 243 S HA 0.662 5.131 4.470 -0.001 0.000 0.280 243 S C -0.905 173.563 174.600 -0.221 0.000 1.150 243 S CA -0.555 57.573 58.200 -0.119 0.000 0.978 243 S CB 0.975 64.124 63.200 -0.085 0.000 1.041 243 S HN 0.711 nan 8.310 nan 0.000 0.485 244 T N 5.429 119.735 114.554 -0.415 0.000 2.863 244 T HA 0.708 5.058 4.350 -0.001 0.000 0.285 244 T C -0.806 173.533 174.700 -0.602 0.000 1.009 244 T CA -0.946 60.745 62.100 -0.681 0.000 0.989 244 T CB 1.139 69.183 68.868 -1.374 0.000 1.004 244 T HN 0.487 nan 8.240 nan 0.000 0.455 245 R N 1.015 121.373 120.500 -0.237 0.000 2.774 245 R HA 0.603 4.943 4.340 -0.001 0.000 0.272 245 R C -0.921 175.566 176.300 0.311 0.000 1.000 245 R CA -0.811 55.398 56.100 0.182 0.000 0.906 245 R CB 1.650 32.145 30.300 0.326 0.000 1.227 245 R HN 0.575 nan 8.270 nan 0.000 0.468 246 T N 2.712 117.496 114.554 0.382 0.000 2.837 246 T HA 0.543 4.893 4.350 -0.001 0.000 0.285 246 T C -0.295 174.474 174.700 0.114 0.000 0.984 246 T CA -0.560 61.636 62.100 0.160 0.000 1.049 246 T CB 0.638 69.563 68.868 0.094 0.000 0.947 246 T HN 0.462 nan 8.240 nan 0.000 0.472 247 W N 0.571 121.800 121.300 -0.119 0.000 2.864 247 W HA 0.820 5.480 4.660 -0.001 0.000 0.343 247 W C -1.442 174.902 176.519 -0.293 0.000 1.109 247 W CA -1.690 55.350 57.345 -0.507 0.000 1.192 247 W CB 1.352 30.500 29.460 -0.519 0.000 1.426 247 W HN 0.736 nan 8.180 nan 0.000 0.529 248 A N 2.952 125.771 122.820 -0.002 0.000 2.386 248 A HA 0.789 5.109 4.320 -0.001 0.000 0.311 248 A C -2.154 175.550 177.584 0.200 0.000 1.068 248 A CA -0.789 51.304 52.037 0.094 0.000 0.743 248 A CB 2.002 21.008 19.000 0.011 0.000 1.258 248 A HN 0.692 nan 8.150 nan 0.000 0.429 249 L N 3.685 125.078 121.223 0.282 0.000 2.404 249 L HA 0.671 5.011 4.340 -0.001 0.000 0.272 249 L C -2.645 174.278 176.870 0.089 0.000 0.980 249 L CA -1.557 53.385 54.840 0.170 0.000 0.836 249 L CB 2.127 44.313 42.059 0.212 0.000 1.238 249 L HN 0.451 nan 8.230 nan 0.000 0.408 250 P HA 0.381 nan 4.420 nan 0.000 0.312 250 P C -1.033 176.105 177.300 -0.270 0.000 1.308 250 P CA -0.383 62.578 63.100 -0.232 0.000 0.743 250 P CB 0.573 31.969 31.700 -0.508 0.000 1.364 251 T N 0.130 114.494 114.554 -0.317 0.000 2.929 251 T HA 0.355 4.705 4.350 -0.001 0.000 0.331 251 T C -0.492 173.991 174.700 -0.363 0.000 1.120 251 T CA -0.041 61.864 62.100 -0.325 0.000 0.973 251 T CB -0.990 67.643 68.868 -0.391 0.000 1.036 251 T HN 0.108 nan 8.240 nan 0.000 0.502 252 Y N 2.145 122.345 120.300 -0.166 0.000 2.397 252 Y HA 0.124 4.674 4.550 -0.001 0.000 0.335 252 Y C 1.721 177.538 175.900 -0.139 0.000 1.213 252 Y CA 0.038 58.066 58.100 -0.120 0.000 1.391 252 Y CB 0.306 38.725 38.460 -0.068 0.000 1.293 252 Y HN 0.693 nan 8.280 nan 0.000 0.557 253 N N 1.728 120.486 118.700 0.096 0.000 2.690 253 N HA -0.411 4.328 4.740 -0.001 0.000 0.249 253 N C -0.193 175.308 175.510 -0.015 0.000 1.125 253 N CA 0.806 53.880 53.050 0.039 0.000 0.794 253 N CB -0.575 37.938 38.487 0.043 0.000 1.152 253 N HN 0.784 nan 8.380 nan 0.000 0.571 254 N N -0.062 118.567 118.700 -0.117 0.000 2.735 254 N HA -0.203 4.537 4.740 -0.001 0.000 0.248 254 N C -0.575 174.847 175.510 -0.147 0.000 1.083 254 N CA 2.029 54.975 53.050 -0.173 0.000 0.703 254 N CB -1.730 36.753 38.487 -0.007 0.000 1.005 254 N HN 0.764 nan 8.380 nan 0.000 0.550 255 H N -2.874 116.149 119.070 -0.078 0.000 2.899 255 H HA -0.189 4.367 4.556 -0.001 0.000 0.282 255 H C -0.181 175.148 175.328 0.000 0.000 1.198 255 H CA 1.125 57.093 56.048 -0.133 0.000 1.140 255 H CB -1.205 28.341 29.762 -0.361 0.000 1.317 255 H HN 0.302 nan 8.280 nan 0.000 0.375 256 L N 0.400 121.693 121.223 0.117 0.000 2.362 256 L HA 0.445 4.785 4.340 -0.001 0.000 0.271 256 L C -0.157 176.807 176.870 0.156 0.000 1.002 256 L CA -1.010 53.946 54.840 0.194 0.000 0.818 256 L CB 1.219 43.386 42.059 0.180 0.000 1.298 256 L HN 0.029 nan 8.230 nan 0.000 0.420 257 Y N 2.236 122.679 120.300 0.239 0.000 2.404 257 Y HA 0.291 4.841 4.550 -0.001 0.000 0.344 257 Y C -0.005 176.036 175.900 0.235 0.000 0.995 257 Y CA -0.214 58.059 58.100 0.288 0.000 1.201 257 Y CB 0.842 39.539 38.460 0.394 0.000 1.151 257 Y HN 0.297 nan 8.280 nan 0.000 0.517 258 K N 3.003 123.583 120.400 0.300 0.000 2.292 258 K HA 0.244 4.563 4.320 -0.001 0.000 0.257 258 K C -0.686 175.999 176.600 0.142 0.000 0.940 258 K CA -1.025 55.373 56.287 0.184 0.000 0.811 258 K CB 1.875 34.428 32.500 0.089 0.000 1.120 258 K HN 0.591 nan 8.250 nan 0.000 0.428 259 Q N 4.764 124.588 119.800 0.040 0.000 2.296 259 Q HA 0.247 4.586 4.340 -0.001 0.000 0.262 259 Q C -0.645 175.117 176.000 -0.395 0.000 0.981 259 Q CA -0.306 55.292 55.803 -0.342 0.000 0.905 259 Q CB 0.419 28.980 28.738 -0.294 0.000 1.186 259 Q HN 0.631 nan 8.270 nan 0.000 0.399 260 I N 0.726 120.926 120.570 -0.616 0.000 2.740 260 I HA 0.821 4.991 4.170 -0.001 0.000 0.303 260 I C -0.655 175.060 176.117 -0.670 0.000 1.044 260 I CA -0.712 60.316 61.300 -0.453 0.000 1.064 260 I CB 2.332 40.174 38.000 -0.262 0.000 1.249 260 I HN 0.770 nan 8.210 nan 0.000 0.433 261 S N 2.163 117.536 115.700 -0.545 0.000 2.724 261 S HA 0.529 4.999 4.470 -0.001 0.000 0.278 261 S C -0.567 173.644 174.600 -0.648 0.000 1.190 261 S CA -0.332 57.440 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 1.052 nan 8.310 nan 0.000 0.507 262 S N 0.961 116.411 115.700 -0.416 0.000 2.601 262 S HA 0.472 4.941 4.470 -0.001 0.000 0.271 262 S C -0.081 174.556 174.600 0.062 0.000 1.305 262 S CA -0.580 57.628 58.200 0.013 0.000 1.022 262 S CB 0.547 63.900 63.200 0.254 0.000 0.940 262 S HN 0.751 nan 8.310 nan 0.000 0.525 263 Q N 1.591 121.439 119.800 0.080 0.000 2.286 263 Q HA 0.065 4.405 4.340 -0.001 0.000 0.290 263 Q C -0.311 175.727 176.000 0.064 0.000 1.049 263 Q CA 0.428 56.260 55.803 0.048 0.000 0.923 263 Q CB 0.437 29.192 28.738 0.029 0.000 1.183 263 Q HN 0.817 nan 8.270 nan 0.000 0.383 264 S N 3.101 118.831 115.700 0.050 0.000 2.945 264 S HA 0.128 4.598 4.470 -0.001 0.000 0.344 264 S C 0.837 175.474 174.600 0.060 0.000 1.066 264 S CA 0.664 58.898 58.200 0.057 0.000 1.721 264 S CB -0.925 62.293 63.200 0.029 0.000 1.330 264 S HN 0.819 nan 8.310 nan 0.000 0.623 265 G N 1.859 110.722 108.800 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 0.591 175.501 174.900 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 -1.206 121.603 122.820 -0.019 0.000 1.924 266 A HA 0.765 5.085 4.320 -0.001 0.000 0.211 266 A C 1.314 178.831 177.584 -0.113 0.000 1.198 266 A CA 1.881 53.885 52.037 -0.055 0.000 0.657 266 A CB 0.489 19.464 19.000 -0.043 0.000 0.852 266 A HN 1.502 nan 8.150 nan 0.000 0.454 267 S N -2.513 113.058 115.700 -0.215 0.000 2.547 267 S HA 0.347 4.816 4.470 -0.001 0.000 0.270 267 S C 0.198 174.511 174.600 -0.477 0.000 1.150 267 S CA -0.314 57.728 58.200 -0.263 0.000 0.850 267 S CB 1.306 64.368 63.200 -0.229 0.000 1.118 267 S HN 0.464 nan 8.310 nan 0.000 0.461 268 N N 0.810 119.364 118.700 -0.243 0.000 2.508 268 N HA 0.009 4.748 4.740 -0.001 0.000 0.186 268 N C -0.021 175.513 175.510 0.040 0.000 1.034 268 N CA 0.295 53.314 53.050 -0.052 0.000 0.885 268 N CB 0.063 38.606 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 0.013 4.652 4.640 -0.001 0.000 0.226 269 D C 0.006 176.308 176.300 0.003 0.000 1.020 269 D CA 0.619 54.645 54.000 0.045 0.000 0.892 269 D CB -0.250 40.593 40.800 0.071 0.000 0.900 269 D HN 0.462 nan 8.370 nan 0.000 0.531 270 N N -0.587 118.073 118.700 -0.066 0.000 2.200 270 N HA -0.003 4.736 4.740 -0.001 0.000 0.224 270 N C -0.022 175.524 175.510 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 39.109 38.487 -0.146 0.000 1.072 270 N HN 0.059 nan 8.380 nan 0.000 0.519 271 H N 1.312 120.466 119.070 0.141 0.000 2.928 271 H HA 0.027 4.582 4.556 -0.001 0.000 0.338 271 H C -0.470 175.042 175.328 0.306 0.000 1.047 271 H CA 0.651 56.819 56.048 0.201 0.000 1.435 271 H CB 0.174 30.001 29.762 0.108 0.000 1.428 271 H HN 0.290 nan 8.280 nan 0.000 0.590 272 Y N 1.389 121.812 120.300 0.205 0.000 2.656 272 Y HA 0.513 5.062 4.550 -0.001 0.000 0.334 272 Y C -2.159 173.860 175.900 0.198 0.000 1.179 272 Y CA -1.377 56.816 58.100 0.156 0.000 1.050 272 Y CB 1.516 40.024 38.460 0.080 0.000 1.308 272 Y HN 0.382 nan 8.280 nan 0.000 0.456 273 F N 1.150 121.029 119.950 -0.119 0.000 2.596 273 F HA 0.842 5.369 4.527 -0.001 0.000 0.311 273 F C -0.353 175.356 175.800 -0.152 0.000 1.116 273 F CA 0.001 57.844 58.000 -0.263 0.000 0.957 273 F CB 2.086 40.982 39.000 -0.173 0.000 1.250 273 F HN 1.076 nan 8.300 nan 0.000 0.444 274 G N 2.812 111.044 108.800 -0.947 0.000 2.500 274 G HA2 0.451 4.410 3.960 -0.001 0.000 0.299 274 G HA3 0.451 4.410 3.960 -0.001 0.000 0.299 274 G C -2.439 171.801 174.900 -1.100 0.000 1.242 274 G CA -0.599 44.082 45.100 -0.699 0.000 0.859 274 G HN 0.551 nan 8.290 nan 0.000 0.481 275 Y N -0.891 119.021 120.300 -0.648 0.000 2.581 275 Y HA 0.756 5.305 4.550 -0.001 0.000 0.345 275 Y C 0.145 175.832 175.900 -0.354 0.000 1.036 275 Y CA -0.768 57.072 58.100 -0.432 0.000 1.042 275 Y CB 2.658 41.009 38.460 -0.181 0.000 1.289 275 Y HN 0.557 nan 8.280 nan 0.000 0.471 276 S N 1.096 116.827 115.700 0.052 0.000 2.552 276 S HA 0.596 5.066 4.470 -0.001 0.000 0.314 276 S C -0.713 173.933 174.600 0.078 0.000 1.099 276 S CA -0.572 57.638 58.200 0.015 0.000 1.070 276 S CB 0.325 63.519 63.200 -0.010 0.000 0.998 276 S HN 0.702 nan 8.310 nan 0.000 0.474 277 T N 2.338 116.926 114.554 0.057 0.000 2.945 277 T HA 0.601 4.951 4.350 -0.001 0.000 0.286 277 T C -2.536 172.142 174.700 -0.037 0.000 1.025 277 T CA -2.098 59.954 62.100 -0.081 0.000 1.039 277 T CB 1.402 70.421 68.868 0.252 0.000 1.068 277 T HN 0.296 nan 8.240 nan 0.000 0.497 278 P HA 0.195 nan 4.420 nan 0.000 0.249 278 P C -0.862 176.430 177.300 -0.013 0.000 1.241 278 P CA -0.119 62.952 63.100 -0.049 0.000 0.781 278 P CB -0.178 31.447 31.700 -0.126 0.000 1.088 279 W N 0.421 121.730 121.300 0.014 0.000 2.438 279 W HA 0.570 5.229 4.660 -0.001 0.000 0.324 279 W C 1.040 177.579 176.519 0.032 0.000 1.119 279 W CA -0.080 57.292 57.345 0.046 0.000 1.221 279 W CB 0.985 30.468 29.460 0.038 0.000 1.253 279 W HN -0.157 nan 8.180 nan 0.000 0.555 280 G N 1.122 110.050 108.800 0.214 0.000 2.557 280 G HA2 0.697 4.656 3.960 -0.001 0.000 0.302 280 G HA3 0.697 4.656 3.960 -0.001 0.000 0.302 280 G C -1.868 173.080 174.900 0.080 0.000 1.311 280 G CA -0.622 44.508 45.100 0.049 0.000 1.030 280 G HN 0.600 nan 8.290 nan 0.000 0.509 281 Y N -3.088 117.077 120.300 -0.224 0.000 2.641 281 Y HA 0.684 5.233 4.550 -0.001 0.000 0.333 281 Y C -1.831 173.890 175.900 -0.299 0.000 1.174 281 Y CA -2.088 55.863 58.100 -0.248 0.000 1.057 281 Y CB 0.949 39.280 38.460 -0.215 0.000 1.322 281 Y HN 0.389 nan 8.280 nan 0.000 0.457 282 F N 1.956 121.898 119.950 -0.013 0.000 2.404 282 F HA 0.502 5.028 4.527 -0.001 0.000 0.339 282 F C -0.167 175.674 175.800 0.068 0.000 1.105 282 F CA 0.003 58.031 58.000 0.047 0.000 1.087 282 F CB 1.438 40.537 39.000 0.165 0.000 1.143 282 F HN 0.586 nan 8.300 nan 0.000 0.491 283 D N 2.685 123.214 120.400 0.215 0.000 2.780 283 D HA 0.429 5.068 4.640 -0.001 0.000 0.242 283 D C -0.873 175.494 176.300 0.111 0.000 1.135 283 D CA -0.500 53.517 54.000 0.029 0.000 0.859 283 D CB 1.154 41.977 40.800 0.038 0.000 1.530 283 D HN 0.293 nan 8.370 nan 0.000 0.493 284 F N 1.060 121.105 119.950 0.158 0.000 2.608 284 F HA 0.390 4.917 4.527 -0.001 0.000 0.383 284 F C 0.246 176.124 175.800 0.131 0.000 1.371 284 F CA -0.824 57.254 58.000 0.131 0.000 1.123 284 F CB -0.919 38.236 39.000 0.257 0.000 1.207 284 F HN 0.273 nan 8.300 nan 0.000 0.512 285 N N 1.313 119.855 118.700 -0.264 0.000 2.375 285 N HA 0.181 4.921 4.740 -0.001 0.000 0.220 285 N C -0.196 175.107 175.510 -0.345 0.000 1.170 285 N CA -0.096 52.562 53.050 -0.653 0.000 0.833 285 N CB 0.257 38.159 38.487 -0.976 0.000 1.069 285 N HN 0.349 nan 8.380 nan 0.000 0.479 286 R N -0.540 119.858 120.500 -0.170 0.000 2.637 286 R HA 0.223 4.562 4.340 -0.001 0.000 0.291 286 R C 0.076 176.306 176.300 -0.117 0.000 0.963 286 R CA -0.643 55.319 56.100 -0.230 0.000 0.901 286 R CB 0.958 30.973 30.300 -0.476 0.000 1.160 286 R HN 0.121 nan 8.270 nan 0.000 0.457 287 F N 0.906 120.873 119.950 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 1.621 59.752 58.000 0.218 0.000 1.293 287 F CB -0.066 38.912 39.000 -0.037 0.000 1.013 287 F HN 0.714 nan 8.300 nan 0.000 0.486 288 H N -2.945 116.245 119.070 0.200 0.000 2.563 288 H HA -0.011 4.545 4.556 -0.001 0.000 0.272 288 H C 1.679 177.050 175.328 0.071 0.000 1.005 288 H CA 0.404 56.516 56.048 0.107 0.000 1.171 288 H CB -1.451 28.336 29.762 0.042 0.000 1.351 288 H HN 0.236 nan 8.280 nan 0.000 0.602 289 C N 0.541 119.791 119.300 -0.083 0.000 2.448 289 C HA -0.002 4.457 4.460 -0.001 0.000 0.280 289 C C 1.733 176.481 174.990 -0.403 0.000 1.398 289 C CA 0.849 59.704 59.018 -0.272 0.000 1.774 289 C CB -0.633 26.803 27.740 -0.505 0.000 1.888 289 C HN 0.800 nan 8.230 nan 0.000 0.519 290 H N -2.923 116.245 119.070 0.164 0.000 2.545 290 H HA 0.225 4.780 4.556 -0.001 0.000 0.251 290 H C -0.041 175.213 175.328 -0.124 0.000 0.934 290 H CA 0.153 56.211 56.048 0.017 0.000 1.116 290 H CB -0.112 29.681 29.762 0.051 0.000 1.439 290 H HN 0.312 nan 8.280 nan 0.000 0.445 291 F N 3.499 123.603 119.950 0.257 0.000 2.411 291 F HA 0.209 4.736 4.527 -0.001 0.000 0.355 291 F C 1.107 176.993 175.800 0.144 0.000 1.117 291 F CA -0.805 57.309 58.000 0.190 0.000 1.139 291 F CB 1.080 40.260 39.000 0.300 0.000 1.120 291 F HN -0.019 nan 8.300 nan 0.000 0.493 292 S N 3.943 119.798 115.700 0.258 0.000 2.584 292 S HA 0.218 4.687 4.470 -0.001 0.000 0.270 292 S C -1.859 172.846 174.600 0.175 0.000 1.346 292 S CA -1.012 57.299 58.200 0.184 0.000 1.018 292 S CB 1.214 64.502 63.200 0.146 0.000 0.899 292 S HN 0.360 nan 8.310 nan 0.000 0.542 293 P HA -0.142 nan 4.420 nan 0.000 0.215 293 P C 1.736 179.022 177.300 -0.024 0.000 1.157 293 P CA 1.214 64.215 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 0.402 120.933 120.500 0.051 0.000 2.103 294 R HA -0.164 4.175 4.340 -0.001 0.000 0.242 294 R C 1.775 178.151 176.300 0.127 0.000 1.142 294 R CA 2.002 58.150 56.100 0.080 0.000 0.960 294 R CB -1.658 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 -0.615 119.934 120.400 0.248 0.000 2.097 295 D HA -0.221 4.419 4.640 -0.001 0.000 0.195 295 D C 1.654 178.179 176.300 0.375 0.000 0.989 295 D CA 1.206 55.474 54.000 0.447 0.000 0.827 295 D CB -0.614 40.514 40.800 0.548 0.000 0.966 295 D HN 0.374 nan 8.370 nan 0.000 0.456 296 W N 2.041 123.372 121.300 0.051 0.000 2.325 296 W HA -0.241 4.419 4.660 -0.001 0.000 0.299 296 W C 2.154 178.521 176.519 -0.254 0.000 1.215 296 W CA 1.446 58.661 57.345 -0.217 0.000 1.244 296 W CB -0.094 29.194 29.460 -0.287 0.000 1.140 296 W HN 0.114 nan 8.180 nan 0.000 0.523 297 Q N 0.321 120.072 119.800 -0.083 0.000 2.084 297 Q HA -0.217 4.123 4.340 -0.001 0.000 0.202 297 Q C 2.388 178.256 176.000 -0.220 0.000 0.978 297 Q CA 1.829 57.519 55.803 -0.188 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 -0.193 0.000 2.081 298 R HA -0.125 4.214 4.340 -0.001 0.000 0.235 298 R C 2.480 178.563 176.300 -0.361 0.000 1.131 298 R CA 1.346 57.226 56.100 -0.366 0.000 0.960 298 R CB -0.483 29.413 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 2.147 178.801 176.870 -0.360 0.000 1.071 299 L CA 1.280 55.988 54.840 -0.220 0.000 0.746 299 L CB -0.198 41.562 42.059 -0.499 0.000 0.890 299 L HN 0.134 nan 8.230 nan 0.000 0.432 300 I N 0.627 120.864 120.570 -0.554 0.000 2.208 300 I HA -0.300 3.869 4.170 -0.001 0.000 0.245 300 I C 1.795 177.780 176.117 -0.220 0.000 1.097 300 I CA 1.464 62.483 61.300 -0.469 0.000 1.363 300 I CB -1.565 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 0.936 119.507 118.700 -0.216 0.000 2.398 301 N HA -0.025 4.715 4.740 -0.001 0.000 0.188 301 N C 0.870 176.346 175.510 -0.057 0.000 1.122 301 N CA 0.350 53.338 53.050 -0.104 0.000 0.866 301 N CB -0.025 38.393 38.487 -0.115 0.000 0.970 301 N HN 0.452 nan 8.380 nan 0.000 0.462 302 N N -0.236 118.419 118.700 -0.075 0.000 2.113 302 N HA 0.094 4.834 4.740 -0.001 0.000 0.223 302 N C -0.798 174.685 175.510 -0.046 0.000 1.310 302 N CA -0.052 52.948 53.050 -0.083 0.000 0.896 302 N CB 0.916 39.310 38.487 -0.154 0.000 1.097 302 N HN 0.111 nan 8.380 nan 0.000 0.507 303 N N -0.218 118.514 118.700 0.053 0.000 2.346 303 N HA 0.146 4.886 4.740 -0.001 0.000 0.289 303 N C 0.278 175.999 175.510 0.352 0.000 1.027 303 N CA -0.434 52.693 53.050 0.128 0.000 0.864 303 N CB 1.680 40.250 38.487 0.138 0.000 1.370 303 N HN 0.119 nan 8.380 nan 0.000 0.481 304 W N 1.999 123.287 121.300 -0.021 0.000 2.341 304 W HA -0.131 4.529 4.660 -0.001 0.000 0.283 304 W C 1.092 177.644 176.519 0.055 0.000 1.215 304 W CA 0.231 57.550 57.345 -0.044 0.000 1.211 304 W CB 0.396 29.742 29.460 -0.190 0.000 1.131 304 W HN 0.616 nan 8.180 nan 0.000 0.552 305 G N -1.612 107.379 108.800 0.318 0.000 2.430 305 G HA2 0.433 4.392 3.960 -0.001 0.000 0.300 305 G HA3 0.433 4.392 3.960 -0.001 0.000 0.300 305 G C -1.780 173.474 174.900 0.589 0.000 1.330 305 G CA -0.571 44.745 45.100 0.359 0.000 0.813 305 G HN 0.129 nan 8.290 nan 0.000 0.487 306 F N -1.409 118.961 119.950 0.701 0.000 2.807 306 F HA 0.930 5.457 4.527 -0.001 0.000 0.316 306 F C -0.889 175.311 175.800 0.666 0.000 1.162 306 F CA -1.135 57.313 58.000 0.746 0.000 0.910 306 F CB 1.435 40.676 39.000 0.403 0.000 1.314 306 F HN 0.997 nan 8.300 nan 0.000 0.454 307 R N -0.034 120.789 120.500 0.538 0.000 2.728 307 R HA 0.725 5.064 4.340 -0.001 0.000 0.274 307 R C -3.641 172.627 176.300 -0.053 0.000 1.032 307 R CA -1.856 54.204 56.100 -0.067 0.000 0.866 307 R CB 1.744 31.721 30.300 -0.538 0.000 1.263 307 R HN 0.396 nan 8.270 nan 0.000 0.475 308 P HA 0.355 nan 4.420 nan 0.000 0.279 308 P C -0.766 176.026 177.300 -0.847 0.000 1.252 308 P CA -0.595 61.770 63.100 -1.225 0.000 0.811 308 P CB 1.218 31.589 31.700 -2.214 0.000 1.035 309 K N 0.535 120.536 120.400 -0.666 0.000 2.524 309 K HA 0.288 4.608 4.320 -0.001 0.000 0.210 309 K C 0.380 176.967 176.600 -0.022 0.000 1.340 309 K CA 0.806 56.939 56.287 -0.257 0.000 0.880 309 K CB 0.288 32.672 32.500 -0.194 0.000 1.616 309 K HN 0.360 nan 8.250 nan 0.000 0.457 310 K N 0.218 120.578 120.400 -0.067 0.000 2.378 310 K HA 0.566 4.886 4.320 -0.001 0.000 0.244 310 K C -1.344 175.288 176.600 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 34.419 32.500 -0.110 0.000 1.326 310 K HN -0.072 nan 8.250 nan 0.000 0.460 311 L N -0.284 120.942 121.223 0.005 0.000 2.565 311 L HA 0.394 4.734 4.340 -0.001 0.000 0.261 311 L C -1.851 174.985 176.870 -0.055 0.000 0.932 311 L CA 0.028 54.883 54.840 0.025 0.000 0.878 311 L CB 2.421 44.563 42.059 0.139 0.000 1.333 311 L HN 0.513 nan 8.230 nan 0.000 0.409 312 S N 4.506 120.182 115.700 -0.041 0.000 2.605 312 S HA 0.653 5.123 4.470 -0.001 0.000 0.308 312 S C -1.244 173.395 174.600 0.064 0.000 1.113 312 S CA -0.287 57.889 58.200 -0.040 0.000 1.049 312 S CB 1.009 64.151 63.200 -0.097 0.000 1.001 312 S HN 0.496 nan 8.310 nan 0.000 0.480 313 F N 3.414 123.373 119.950 0.014 0.000 2.469 313 F HA 0.687 5.213 4.527 -0.001 0.000 0.332 313 F C -0.280 175.591 175.800 0.117 0.000 1.103 313 F CA -0.489 57.570 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 7.285 127.313 120.400 -0.621 0.000 2.535 314 K HA 0.534 4.853 4.320 -0.001 0.000 0.251 314 K C -2.180 174.301 176.600 -0.198 0.000 0.942 314 K CA -0.607 55.546 56.287 -0.223 0.000 0.798 314 K CB 1.578 34.045 32.500 -0.056 0.000 1.267 314 K HN 0.774 nan 8.250 nan 0.000 0.434 315 L N 5.869 127.160 121.223 0.113 0.000 2.346 315 L HA 0.698 5.038 4.340 -0.001 0.000 0.276 315 L C -0.744 176.380 176.870 0.425 0.000 1.006 315 L CA -0.874 54.053 54.840 0.145 0.000 0.817 315 L CB 0.991 43.123 42.059 0.122 0.000 1.272 315 L HN 0.704 nan 8.230 nan 0.000 0.421 316 F N -0.634 119.419 119.950 0.173 0.000 2.877 316 F HA 0.367 4.894 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 -1.469 56.608 58.000 0.129 0.000 0.903 316 F CB 1.077 40.119 39.000 0.070 0.000 1.357 316 F HN 0.484 nan 8.300 nan 0.000 0.472 317 N N 0.580 119.434 118.700 0.258 0.000 2.705 317 N HA -0.200 4.539 4.740 -0.001 0.000 0.255 317 N C -1.105 174.389 175.510 -0.027 0.000 1.008 317 N CA 0.519 53.631 53.050 0.104 0.000 0.742 317 N CB -1.068 37.485 38.487 0.110 0.000 0.906 317 N HN 0.488 nan 8.380 nan 0.000 0.541 318 I N 0.905 121.493 120.570 0.029 0.000 2.474 318 I HA 0.094 4.263 4.170 -0.001 0.000 0.287 318 I C 0.491 176.573 176.117 -0.057 0.000 1.048 318 I CA 0.120 61.417 61.300 -0.004 0.000 1.383 318 I CB 0.894 38.970 38.000 0.126 0.000 1.412 318 I HN 0.138 nan 8.210 nan 0.000 0.531 319 Q N 5.437 125.153 119.800 -0.139 0.000 2.285 319 Q HA 0.510 4.850 4.340 -0.001 0.000 0.269 319 Q C -1.400 174.485 176.000 -0.191 0.000 1.030 319 Q CA -0.759 54.955 55.803 -0.148 0.000 0.788 319 Q CB 3.137 31.770 28.738 -0.177 0.000 1.266 319 Q HN 0.392 nan 8.270 nan 0.000 0.438 320 V N 3.335 123.156 119.914 -0.155 0.000 2.347 320 V HA 0.354 4.474 4.120 -0.001 0.000 0.280 320 V C -0.323 175.623 176.094 -0.246 0.000 1.021 320 V CA -0.633 61.552 62.300 -0.191 0.000 0.847 320 V CB 1.162 32.928 31.823 -0.095 0.000 0.990 320 V HN 0.546 nan 8.190 nan 0.000 0.444 321 K N 4.199 124.332 120.400 -0.445 0.000 2.244 321 K HA 0.563 4.882 4.320 -0.001 0.000 0.260 321 K C -0.349 176.116 176.600 -0.225 0.000 0.951 321 K CA -0.605 55.444 56.287 -0.396 0.000 0.826 321 K CB 2.523 34.639 32.500 -0.641 0.000 1.108 321 K HN 0.892 nan 8.250 nan 0.000 0.433 322 E N 0.283 120.450 120.200 -0.055 0.000 2.183 322 E HA 0.495 4.844 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 55.412 56.400 0.036 0.000 0.781 322 E CB 1.979 31.697 29.700 0.029 0.000 1.140 322 E HN 0.134 nan 8.360 nan 0.000 0.402 323 V N 2.333 122.313 119.914 0.111 0.000 2.815 323 V HA 0.803 4.922 4.120 -0.001 0.000 0.314 323 V C -1.041 175.089 176.094 0.060 0.000 1.064 323 V CA 0.004 62.359 62.300 0.092 0.000 0.952 323 V CB 2.111 33.995 31.823 0.101 0.000 1.020 323 V HN 1.022 nan 8.190 nan 0.000 0.439 324 T N 2.811 117.391 114.554 0.043 0.000 2.928 324 T HA 0.578 4.928 4.350 -0.001 0.000 0.296 324 T C -0.923 173.790 174.700 0.022 0.000 1.000 324 T CA -0.672 61.448 62.100 0.033 0.000 0.989 324 T CB 1.573 70.460 68.868 0.031 0.000 1.005 324 T HN 0.602 nan 8.240 nan 0.000 0.442 325 Q N 2.954 122.764 119.800 0.017 0.000 2.503 325 Q HA 0.394 4.733 4.340 -0.001 0.000 0.227 325 Q C 0.860 176.866 176.000 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 1.139 119.845 118.700 0.009 0.000 2.132 326 N HA -0.076 4.663 4.740 -0.001 0.000 0.187 326 N C 0.097 175.611 175.510 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 38.908 38.487 0.009 0.000 1.012 326 N HN 0.445 nan 8.380 nan 0.000 0.429 327 D N -1.627 118.775 120.400 0.004 0.000 3.051 327 D HA 0.227 4.867 4.640 -0.001 0.000 0.216 327 D C 1.040 177.340 176.300 -0.000 0.000 1.454 327 D CA 0.493 54.494 54.000 0.002 0.000 1.400 327 D CB -0.478 40.323 40.800 0.001 0.000 0.975 327 D HN 0.226 nan 8.370 nan 0.000 0.212 328 G N -0.193 108.607 108.800 -0.001 0.000 3.839 328 G HA2 0.262 4.222 3.960 -0.001 0.000 0.286 328 G HA3 0.262 4.222 3.960 -0.001 0.000 0.286 328 G C -0.216 174.682 174.900 -0.004 0.000 1.005 328 G CA 0.109 45.208 45.100 -0.003 0.000 0.824 328 G HN 0.241 nan 8.290 nan 0.000 0.489 329 T N 0.690 115.243 114.554 -0.002 0.000 2.881 329 T HA 0.525 4.875 4.350 -0.001 0.000 0.290 329 T C -0.324 174.376 174.700 -0.000 0.000 1.000 329 T CA -0.270 61.829 62.100 -0.002 0.000 0.978 329 T CB 1.360 70.227 68.868 -0.001 0.000 0.997 329 T HN 0.111 nan 8.240 nan 0.000 0.443 330 T N 2.222 116.775 114.554 -0.002 0.000 2.738 330 T HA 0.533 4.883 4.350 -0.001 0.000 0.298 330 T C 0.414 175.119 174.700 0.008 0.000 0.962 330 T CA -0.800 61.301 62.100 0.001 0.000 0.972 330 T CB 0.262 69.126 68.868 -0.007 0.000 0.928 330 T HN 0.714 nan 8.240 nan 0.000 0.474 331 T N 2.002 116.565 114.554 0.015 0.000 2.837 331 T HA 0.663 5.013 4.350 -0.001 0.000 0.285 331 T C 0.003 174.723 174.700 0.034 0.000 0.984 331 T CA -0.940 61.171 62.100 0.020 0.000 1.049 331 T CB 0.499 69.377 68.868 0.016 0.000 0.947 331 T HN 0.645 nan 8.240 nan 0.000 0.472 332 I N 2.169 122.764 120.570 0.041 0.000 2.406 332 I HA 0.670 4.839 4.170 -0.001 0.000 0.290 332 I C 0.161 176.301 176.117 0.039 0.000 0.999 332 I CA -1.038 60.301 61.300 0.066 0.000 1.124 332 I CB 1.554 39.620 38.000 0.109 0.000 1.289 332 I HN 0.914 nan 8.210 nan 0.000 0.441 333 A N 5.324 128.160 122.820 0.026 0.000 2.479 333 A HA 0.626 4.946 4.320 -0.001 0.000 0.296 333 A C -0.894 176.677 177.584 -0.022 0.000 1.121 333 A CA -0.818 51.221 52.037 0.003 0.000 0.743 333 A CB 1.343 20.347 19.000 0.007 0.000 1.323 333 A HN 0.636 nan 8.150 nan 0.000 0.415 334 N N 1.980 120.663 118.700 -0.028 0.000 2.470 334 N HA 0.127 4.866 4.740 -0.001 0.000 0.268 334 N C -0.980 174.510 175.510 -0.034 0.000 1.136 334 N CA 0.173 53.197 53.050 -0.044 0.000 0.961 334 N CB 0.759 39.225 38.487 -0.036 0.000 1.067 334 N HN 0.590 nan 8.380 nan 0.000 0.468 335 N N 3.419 122.092 118.700 -0.046 0.000 2.699 335 N HA 0.204 4.944 4.740 -0.001 0.000 0.232 335 N C 0.899 176.392 175.510 -0.028 0.000 1.027 335 N CA -0.285 52.748 53.050 -0.029 0.000 0.920 335 N CB 0.330 38.801 38.487 -0.025 0.000 1.148 335 N HN 0.453 nan 8.380 nan 0.000 0.509 336 L N 0.987 122.199 121.223 -0.017 0.000 2.156 336 L HA -0.066 4.274 4.340 -0.001 0.000 0.208 336 L C 1.985 178.853 176.870 -0.004 0.000 1.095 336 L CA 1.280 56.113 54.840 -0.012 0.000 0.770 336 L CB -0.454 41.601 42.059 -0.007 0.000 0.914 336 L HN 0.528 nan 8.230 nan 0.000 0.439 337 T N -4.373 110.180 114.554 -0.001 0.000 3.148 337 T HA 0.011 4.361 4.350 -0.001 0.000 0.253 337 T C 0.966 175.667 174.700 0.003 0.000 1.134 337 T CA -0.059 62.044 62.100 0.004 0.000 1.051 337 T CB 0.038 68.909 68.868 0.005 0.000 0.959 337 T HN 0.094 nan 8.240 nan 0.000 0.525 338 S N 1.947 117.645 115.700 -0.003 0.000 2.601 338 S HA 0.522 4.992 4.470 -0.001 0.000 0.271 338 S C 0.415 175.015 174.600 0.001 0.000 1.305 338 S CA -0.421 57.775 58.200 -0.006 0.000 1.022 338 S CB 0.706 63.897 63.200 -0.016 0.000 0.940 338 S HN 0.743 nan 8.310 nan 0.000 0.525 339 T N 0.222 114.776 114.554 0.000 0.000 2.905 339 T HA 0.794 5.144 4.350 -0.001 0.000 0.283 339 T C -0.570 174.136 174.700 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 0.152 120.086 119.914 0.033 0.000 3.087 340 V HA 0.523 4.642 4.120 -0.001 0.000 0.306 340 V C -1.791 174.326 176.094 0.038 0.000 1.187 340 V CA -0.789 61.525 62.300 0.024 0.000 0.999 340 V CB 2.403 34.272 31.823 0.077 0.000 1.049 340 V HN 1.067 nan 8.190 nan 0.000 0.431 341 Q N 3.488 123.291 119.800 0.005 0.000 2.331 341 Q HA 0.764 5.104 4.340 -0.001 0.000 0.267 341 Q C -1.453 174.669 176.000 0.203 0.000 1.006 341 Q CA -0.636 55.234 55.803 0.112 0.000 0.818 341 Q CB 2.560 31.382 28.738 0.140 0.000 1.276 341 Q HN 0.551 nan 8.270 nan 0.000 0.450 342 V N 3.363 123.375 119.914 0.163 0.000 2.823 342 V HA 0.745 4.865 4.120 -0.001 0.000 0.312 342 V C -0.719 175.413 176.094 0.063 0.000 1.072 342 V CA -0.831 61.448 62.300 -0.035 0.000 0.937 342 V CB 1.325 32.816 31.823 -0.552 0.000 1.013 342 V HN 0.790 nan 8.190 nan 0.000 0.430 343 F N 0.319 120.118 119.950 -0.250 0.000 2.817 343 F HA 0.805 5.332 4.527 -0.001 0.000 0.317 343 F C -0.902 174.703 175.800 -0.325 0.000 1.168 343 F CA -0.685 57.189 58.000 -0.209 0.000 0.911 343 F CB 1.981 40.897 39.000 -0.139 0.000 1.337 343 F HN 0.470 nan 8.300 nan 0.000 0.464 344 T N 0.681 115.093 114.554 -0.238 0.000 2.841 344 T HA 0.286 4.635 4.350 -0.001 0.000 0.285 344 T C -1.531 172.995 174.700 -0.290 0.000 0.991 344 T CA -0.409 61.391 62.100 -0.499 0.000 0.966 344 T CB 0.909 69.371 68.868 -0.676 0.000 0.962 344 T HN 0.835 nan 8.240 nan 0.000 0.438 345 D N 3.381 123.521 120.400 -0.433 0.000 2.498 345 D HA 0.249 4.889 4.640 -0.001 0.000 0.229 345 D C 0.858 176.915 176.300 -0.405 0.000 1.188 345 D CA 0.109 53.924 54.000 -0.309 0.000 1.028 345 D CB 0.061 40.645 40.800 -0.361 0.000 1.087 345 D HN 0.428 nan 8.370 nan 0.000 0.510 346 S N 2.010 117.529 115.700 -0.303 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 -0.476 0.000 0.997 346 S CA 0.068 58.038 58.200 -0.382 0.000 0.919 346 S CB 0.230 63.374 63.200 -0.092 0.000 0.778 346 S HN 0.536 nan 8.310 nan 0.000 0.523 347 E N 0.291 120.327 120.200 -0.273 0.000 2.474 347 E HA 0.129 4.478 4.350 -0.001 0.000 0.195 347 E C -0.885 175.738 176.600 0.039 0.000 1.039 347 E CA -0.317 56.036 56.400 -0.078 0.000 0.881 347 E CB 0.055 29.763 29.700 0.013 0.000 0.970 347 E HN 0.539 nan 8.360 nan 0.000 0.486 348 Y N 0.513 120.829 120.300 0.027 0.000 3.078 348 Y HA -0.296 4.253 4.550 -0.001 0.000 0.202 348 Y C 1.050 176.936 175.900 -0.024 0.000 1.322 348 Y CA 0.318 58.412 58.100 -0.010 0.000 1.118 348 Y CB -2.421 36.026 38.460 -0.022 0.000 1.343 348 Y HN 0.205 nan 8.280 nan 0.000 0.499 349 Q N -0.109 119.735 119.800 0.073 0.000 2.396 349 Q HA 0.259 4.599 4.340 -0.001 0.000 0.209 349 Q C 0.374 176.293 176.000 -0.135 0.000 0.906 349 Q CA 0.185 56.019 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 1.869 122.977 121.223 -0.193 0.000 2.325 350 L HA 0.383 4.722 4.340 -0.001 0.000 0.279 350 L C -2.227 174.486 176.870 -0.261 0.000 1.054 350 L CA -2.423 52.166 54.840 -0.418 0.000 0.804 350 L CB 0.966 42.754 42.059 -0.451 0.000 1.200 350 L HN -0.183 nan 8.230 nan 0.000 0.436 351 P HA -0.121 nan 4.420 nan 0.000 0.260 351 P C -1.078 176.262 177.300 0.067 0.000 1.185 351 P CA 0.165 63.218 63.100 -0.080 0.000 0.763 351 P CB -0.018 31.635 31.700 -0.080 0.000 0.776 352 Y N 4.149 124.444 120.300 -0.008 0.000 2.584 352 Y HA 0.119 4.668 4.550 -0.001 0.000 0.351 352 Y C 1.210 177.119 175.900 0.016 0.000 1.030 352 Y CA 0.286 58.393 58.100 0.011 0.000 1.332 352 Y CB 0.367 38.851 38.460 0.041 0.000 1.148 352 Y HN 0.150 nan 8.280 nan 0.000 0.528 353 V N 7.060 126.803 119.914 -0.285 0.000 3.647 353 V HA 0.128 4.248 4.120 -0.001 0.000 0.279 353 V C 0.524 176.433 176.094 -0.308 0.000 1.314 353 V CA 0.306 62.457 62.300 -0.248 0.000 1.125 353 V CB -0.609 31.020 31.823 -0.323 0.000 0.907 353 V HN 0.590 nan 8.190 nan 0.000 0.434 354 L N -0.247 120.624 121.223 -0.587 0.000 2.488 354 L HA 0.570 4.909 4.340 -0.001 0.000 0.249 354 L C 1.569 178.344 176.870 -0.157 0.000 1.151 354 L CA 0.296 54.886 54.840 -0.417 0.000 0.806 354 L CB -0.075 41.615 42.059 -0.615 0.000 1.261 354 L HN 0.282 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 0.457 175.355 174.900 -0.003 0.000 1.024 355 G CA 0.523 45.582 45.100 -0.069 0.000 0.784 355 G HN 0.528 nan 8.290 nan 0.000 0.507 356 S N -0.499 115.199 115.700 -0.003 0.000 2.754 356 S HA 0.578 5.048 4.470 -0.001 0.000 0.247 356 S C 1.481 175.936 174.600 -0.241 0.000 1.031 356 S CA 0.982 59.133 58.200 -0.082 0.000 1.014 356 S CB 0.647 63.828 63.200 -0.031 0.000 0.918 356 S HN 2.146 nan 8.310 nan 0.000 0.519 357 A N 1.599 124.351 122.820 -0.114 0.000 2.816 357 A HA -0.220 4.100 4.320 -0.001 0.000 0.270 357 A C 0.420 177.949 177.584 -0.092 0.000 1.413 357 A CA 0.898 52.887 52.037 -0.079 0.000 0.866 357 A CB -2.277 16.684 19.000 -0.064 0.000 1.032 357 A HN 0.667 nan 8.150 nan 0.000 0.642 358 H N -0.118 118.954 119.070 0.004 0.000 2.767 358 H HA 0.252 4.807 4.556 -0.001 0.000 0.380 358 H C 1.011 176.362 175.328 0.038 0.000 1.409 358 H CA 0.929 56.991 56.048 0.023 0.000 1.463 358 H CB 0.290 30.076 29.762 0.040 0.000 1.514 358 H HN 0.744 nan 8.280 nan 0.000 0.619 359 Q N -1.193 118.724 119.800 0.196 0.000 2.180 359 Q HA 0.404 4.743 4.340 -0.001 0.000 0.241 359 Q C 0.541 176.598 176.000 0.095 0.000 0.970 359 Q CA -0.232 55.646 55.803 0.125 0.000 0.919 359 Q CB 1.629 30.431 28.738 0.106 0.000 1.222 359 Q HN 0.958 nan 8.270 nan 0.000 0.482 360 G N -0.422 108.424 108.800 0.077 0.000 2.138 360 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.193 360 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.193 360 G C 0.112 175.010 174.900 -0.004 0.000 0.998 360 G CA -0.346 44.787 45.100 0.056 0.000 0.668 360 G HN 0.576 nan 8.290 nan 0.000 0.516 361 C N 0.251 119.539 119.300 -0.019 0.000 2.641 361 C HA 0.613 5.072 4.460 -0.001 0.000 0.318 361 C C 1.597 176.408 174.990 -0.298 0.000 1.490 361 C CA -0.651 58.313 59.018 -0.091 0.000 2.260 361 C CB -0.018 27.704 27.740 -0.031 0.000 2.103 361 C HN 0.495 nan 8.230 nan 0.000 0.641 362 L N 2.383 123.424 121.223 -0.303 0.000 2.410 362 L HA 0.215 4.555 4.340 -0.001 0.000 0.273 362 L C -2.077 174.724 176.870 -0.114 0.000 1.152 362 L CA -1.107 53.472 54.840 -0.435 0.000 0.855 362 L CB -0.097 41.823 42.059 -0.233 0.000 1.129 362 L HN 0.386 nan 8.230 nan 0.000 0.463 363 P HA 0.024 nan 4.420 nan 0.000 0.262 363 P C -2.001 175.382 177.300 0.138 0.000 1.182 363 P CA -0.857 62.306 63.100 0.106 0.000 0.761 363 P CB 0.184 31.982 31.700 0.163 0.000 0.795 364 P HA -0.151 nan 4.420 nan 0.000 0.216 364 P C 0.212 177.514 177.300 0.004 0.000 1.150 364 P CA 1.247 64.409 63.100 0.104 0.000 0.843 364 P CB -0.021 31.623 31.700 -0.094 0.000 0.787 365 F N -0.199 119.592 119.950 -0.264 0.000 2.411 365 F HA 0.286 4.813 4.527 -0.001 0.000 0.350 365 F C -1.698 174.056 175.800 -0.077 0.000 1.114 365 F CA -3.000 54.774 58.000 -0.376 0.000 1.135 365 F CB 1.052 39.744 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 1.000 178.273 177.300 -0.044 0.000 1.148 366 P CA 1.753 64.763 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 -1.035 121.613 122.820 -0.286 0.000 2.119 367 A HA -0.054 4.265 4.320 -0.001 0.000 0.217 367 A C 0.658 178.351 177.584 0.182 0.000 1.153 367 A CA 0.725 52.760 52.037 -0.003 0.000 0.692 367 A CB -0.938 18.118 19.000 0.094 0.000 0.799 367 A HN 0.095 nan 8.150 nan 0.000 0.458 368 D N 0.160 120.713 120.400 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 1.385 42.353 40.800 0.280 0.000 1.160 368 D HN -0.019 nan 8.370 nan 0.000 0.459 369 V N 3.267 123.322 119.914 0.235 0.000 2.686 369 V HA 0.423 4.543 4.120 -0.001 0.000 0.295 369 V C 0.091 176.370 176.094 0.309 0.000 1.057 369 V CA -0.485 61.963 62.300 0.246 0.000 1.012 369 V CB 0.508 32.401 31.823 0.117 0.000 1.006 369 V HN 0.423 nan 8.190 nan 0.000 0.477 370 F N 2.521 122.561 119.950 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 -1.348 56.733 58.000 0.135 0.000 0.940 370 F CB 1.942 41.028 39.000 0.143 0.000 1.268 370 F HN 0.446 nan 8.300 nan 0.000 0.475 371 M N 3.282 122.921 119.600 0.065 0.000 2.264 371 M HA 0.526 5.005 4.480 -0.001 0.000 0.352 371 M C -1.339 174.958 176.300 -0.003 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 0.044 0.000 1.621 371 M HN 0.611 nan 8.290 nan 0.000 0.457 372 V N 7.363 127.201 119.914 -0.127 0.000 2.508 372 V HA 0.249 4.368 4.120 -0.001 0.000 0.281 372 V C -2.056 173.963 176.094 -0.126 0.000 1.041 372 V CA -1.267 60.925 62.300 -0.180 0.000 1.016 372 V CB 0.455 32.032 31.823 -0.410 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 -0.574 176.426 177.300 -0.500 0.000 1.215 373 P CA -0.143 62.707 63.100 -0.416 0.000 0.780 373 P CB 0.470 31.734 31.700 -0.726 0.000 0.898 374 Q N 1.277 120.757 119.800 -0.533 0.000 2.230 374 Q HA 0.239 4.578 4.340 -0.001 0.000 0.248 374 Q C -1.314 174.697 176.000 0.019 0.000 0.915 374 Q CA -0.704 54.709 55.803 -0.650 0.000 0.900 374 Q CB 0.496 28.484 28.738 -1.249 0.000 1.229 374 Q HN 0.376 nan 8.270 nan 0.000 0.439 375 Y N 1.468 121.768 120.300 -0.000 0.000 2.327 375 Y HA 0.582 5.131 4.550 -0.001 0.000 0.336 375 Y C -0.298 175.604 175.900 0.003 0.000 1.035 375 Y CA 0.136 58.255 58.100 0.031 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 5.069 113.506 108.800 -0.606 0.000 2.696 376 G HA2 0.528 4.488 3.960 -0.001 0.000 0.295 376 G HA3 0.528 4.488 3.960 -0.001 0.000 0.295 376 G C -2.294 172.300 174.900 -0.509 0.000 1.398 376 G CA -0.823 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 -1.067 119.031 120.300 -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 56.297 58.100 -0.184 0.000 1.049 377 Y CB 1.536 39.916 38.460 -0.134 0.000 1.296 377 Y HN 0.467 nan 8.280 nan 0.000 0.470 378 L N 2.005 123.362 121.223 0.224 0.000 2.334 378 L HA 0.733 5.072 4.340 -0.001 0.000 0.273 378 L C -0.220 176.860 176.870 0.350 0.000 1.013 378 L CA -0.608 54.360 54.840 0.214 0.000 0.816 378 L CB 2.406 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 0.343 115.100 114.554 0.339 0.000 2.688 379 T HA 0.452 4.801 4.350 -0.001 0.000 0.249 379 T C -0.891 173.989 174.700 0.299 0.000 0.944 379 T CA -0.681 61.648 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 2.976 124.358 121.223 0.264 0.000 2.350 380 L HA 0.578 4.918 4.340 -0.001 0.000 0.275 380 L C -0.577 176.382 176.870 0.149 0.000 1.099 380 L CA -0.367 54.584 54.840 0.185 0.000 0.808 380 L CB 0.129 42.274 42.059 0.143 0.000 1.149 380 L HN 0.910 nan 8.230 nan 0.000 0.442 381 N N 1.284 120.050 118.700 0.110 0.000 2.331 381 N HA 0.328 5.068 4.740 -0.001 0.000 0.280 381 N C -1.377 174.138 175.510 0.009 0.000 1.155 381 N CA -0.735 52.341 53.050 0.043 0.000 0.822 381 N CB 0.944 39.503 38.487 0.121 0.000 1.619 381 N HN 0.363 nan 8.380 nan 0.000 0.476 382 N N 1.102 119.763 118.700 -0.065 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 -0.069 0.000 0.902 382 N CB 0.047 38.488 38.487 -0.076 0.000 1.149 382 N HN 1.029 nan 8.380 nan 0.000 0.506 383 G N 2.341 111.056 108.800 -0.141 0.000 2.523 383 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.271 383 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.271 383 G C 0.791 175.483 174.900 -0.346 0.000 1.146 383 G CA 0.522 45.368 45.100 -0.423 0.000 0.961 383 G HN 0.777 nan 8.290 nan 0.000 0.549 384 S N 0.257 115.712 115.700 -0.408 0.000 2.528 384 S HA 0.302 4.771 4.470 -0.001 0.000 0.219 384 S C 1.074 175.604 174.600 -0.118 0.000 0.985 384 S CA 1.300 59.441 58.200 -0.098 0.000 0.914 384 S CB 0.234 63.428 63.200 -0.010 0.000 0.776 384 S HN 0.757 nan 8.310 nan 0.000 0.526 385 Q N 0.585 120.258 119.800 -0.212 0.000 2.237 385 Q HA 0.718 5.057 4.340 -0.001 0.000 0.219 385 Q C -0.318 175.391 176.000 -0.484 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 0.365 122.777 122.820 -0.681 0.000 2.346 386 A HA 0.703 5.023 4.320 -0.001 0.000 0.313 386 A C -0.690 176.706 177.584 -0.313 0.000 1.140 386 A CA -0.605 51.021 52.037 -0.685 0.000 0.826 386 A CB 1.000 19.252 19.000 -1.248 0.000 1.332 386 A HN 0.465 nan 8.150 nan 0.000 0.457 387 V N -0.467 119.343 119.914 -0.173 0.000 3.406 387 V HA 0.531 4.650 4.120 -0.001 0.000 0.305 387 V C 1.770 177.833 176.094 -0.052 0.000 1.136 387 V CA 0.314 62.564 62.300 -0.083 0.000 1.011 387 V CB 1.253 33.060 31.823 -0.026 0.000 1.221 387 V HN 1.131 nan 8.190 nan 0.000 0.454 388 G N -0.427 108.359 108.800 -0.024 0.000 2.464 388 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.217 388 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.217 388 G C 1.156 176.067 174.900 0.019 0.000 1.138 388 G CA -0.018 45.079 45.100 -0.006 0.000 0.793 388 G HN 0.576 nan 8.290 nan 0.000 0.539 389 R N 0.902 121.421 120.500 0.031 0.000 2.363 389 R HA 0.214 4.554 4.340 -0.001 0.000 0.236 389 R C 0.085 176.435 176.300 0.083 0.000 0.966 389 R CA -0.176 55.955 56.100 0.052 0.000 1.100 389 R CB 0.193 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 0.358 116.114 115.700 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 2.311 118.116 115.700 0.175 0.000 2.437 391 S HA 0.517 4.987 4.470 -0.001 0.000 0.305 391 S C -0.922 173.623 174.600 -0.091 0.000 1.109 391 S CA -0.550 57.610 58.200 -0.066 0.000 1.099 391 S CB 0.478 63.567 63.200 -0.186 0.000 1.004 391 S HN 0.556 nan 8.310 nan 0.000 0.475 392 F N 4.040 123.744 119.950 -0.410 0.000 2.427 392 F HA 0.562 5.088 4.527 -0.001 0.000 0.346 392 F C -1.485 173.999 175.800 -0.527 0.000 1.120 392 F CA -1.460 56.294 58.000 -0.411 0.000 1.033 392 F CB 0.446 39.202 39.000 -0.407 0.000 1.126 392 F HN 0.520 nan 8.300 nan 0.000 0.462 393 Y N 5.532 125.537 120.300 -0.490 0.000 2.328 393 Y HA 0.401 4.951 4.550 -0.001 0.000 0.333 393 Y C -0.071 175.455 175.900 -0.624 0.000 0.958 393 Y CA -0.857 56.962 58.100 -0.467 0.000 1.167 393 Y CB 1.407 39.675 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 -0.451 0.000 2.307 394 C HA 0.402 4.861 4.460 -0.001 0.000 0.340 394 C C 0.994 176.051 174.990 0.113 0.000 1.275 394 C CA -0.577 58.222 59.018 -0.366 0.000 1.811 394 C CB -0.804 26.666 27.740 -0.450 0.000 2.372 394 C HN 0.981 nan 8.230 nan 0.000 0.531 395 L N 4.409 125.758 121.223 0.210 0.000 2.554 395 L HA 0.150 4.489 4.340 -0.001 0.000 0.226 395 L C 2.260 179.186 176.870 0.093 0.000 1.137 395 L CA 1.257 56.083 54.840 -0.022 0.000 0.863 395 L CB -0.438 41.165 42.059 -0.760 0.000 0.985 395 L HN 0.690 nan 8.230 nan 0.000 0.451 396 E N -1.551 118.850 120.200 0.336 0.000 2.435 396 E HA -0.142 4.208 4.350 -0.001 0.000 0.195 396 E C 1.159 177.872 176.600 0.189 0.000 1.029 396 E CA 0.498 57.095 56.400 0.328 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 -0.136 120.158 120.300 -0.011 0.000 2.495 397 Y HA 0.120 4.669 4.550 -0.001 0.000 0.293 397 Y C -0.394 175.275 175.900 -0.385 0.000 1.186 397 Y CA -0.319 57.678 58.100 -0.171 0.000 1.266 397 Y CB -0.004 38.321 38.460 -0.225 0.000 1.101 397 Y HN -0.229 nan 8.280 nan 0.000 0.517 398 F N 1.000 120.701 119.950 -0.415 0.000 2.495 398 F HA 0.433 4.959 4.527 -0.001 0.000 0.327 398 F C -2.171 173.286 175.800 -0.572 0.000 1.103 398 F CA -3.139 54.471 58.000 -0.650 0.000 0.949 398 F CB 0.902 39.169 39.000 -1.222 0.000 1.142 398 F HN -0.058 nan 8.300 nan 0.000 0.457 399 P HA 0.161 nan 4.420 nan 0.000 0.266 399 P C -1.053 176.179 177.300 -0.113 0.000 1.215 399 P CA -0.051 62.956 63.100 -0.156 0.000 0.763 399 P CB 0.567 32.199 31.700 -0.113 0.000 0.806 400 S N 1.698 117.394 115.700 -0.007 0.000 2.548 400 S HA 0.396 4.866 4.470 -0.001 0.000 0.286 400 S C -0.828 173.876 174.600 0.172 0.000 1.098 400 S CA -1.037 57.249 58.200 0.142 0.000 0.930 400 S CB 1.619 64.977 63.200 0.264 0.000 1.070 400 S HN 0.440 nan 8.310 nan 0.000 0.480 401 Q N 1.877 121.811 119.800 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 0.178 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 -1.219 175.147 176.300 0.111 0.000 1.171 402 M CA -0.716 54.650 55.300 0.111 0.000 1.069 402 M CB 0.950 33.599 32.600 0.081 0.000 1.622 402 M HN 0.451 nan 8.290 nan 0.000 0.459 403 L N 2.848 124.136 121.223 0.107 0.000 2.362 403 L HA 0.591 4.931 4.340 -0.001 0.000 0.275 403 L C -0.135 176.787 176.870 0.088 0.000 0.998 403 L CA -0.335 54.574 54.840 0.116 0.000 0.820 403 L CB 1.701 43.853 42.059 0.154 0.000 1.270 403 L HN 0.598 nan 8.230 nan 0.000 0.415 404 R N -0.032 120.514 120.500 0.076 0.000 2.602 404 R HA 0.655 4.995 4.340 -0.001 0.000 0.237 404 R C -0.469 175.867 176.300 0.061 0.000 1.219 404 R CA -0.542 55.591 56.100 0.055 0.000 1.121 404 R CB 0.955 31.281 30.300 0.042 0.000 1.408 404 R HN 0.621 nan 8.270 nan 0.000 0.559 405 T N 0.628 115.206 114.554 0.040 0.000 2.817 405 T HA 0.338 4.688 4.350 -0.001 0.000 0.295 405 T C 0.809 175.538 174.700 0.048 0.000 0.958 405 T CA 0.983 63.106 62.100 0.038 0.000 1.157 405 T CB 0.632 69.507 68.868 0.012 0.000 0.898 405 T HN 0.772 nan 8.240 nan 0.000 0.536 406 G N 3.710 112.550 108.800 0.067 0.000 2.218 406 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.216 406 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.216 406 G C 0.209 175.159 174.900 0.084 0.000 0.994 406 G CA -0.679 44.462 45.100 0.069 0.000 0.637 406 G HN 0.600 nan 8.290 nan 0.000 0.505 407 N N 1.724 120.482 118.700 0.097 0.000 2.445 407 N HA 0.564 5.303 4.740 -0.001 0.000 0.264 407 N C 0.109 175.716 175.510 0.162 0.000 1.227 407 N CA 0.386 53.507 53.050 0.117 0.000 0.963 407 N CB 0.891 39.449 38.487 0.118 0.000 1.188 407 N HN 0.759 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 0.385 5.124 4.740 -0.001 0.000 0.253 408 N C -1.878 173.806 175.510 0.289 0.000 1.466 408 N CA -0.561 52.635 53.050 0.243 0.000 0.858 408 N CB 1.294 39.909 38.487 0.213 0.000 1.459 408 N HN 0.366 nan 8.380 nan 0.000 0.532 409 F N 0.117 120.155 119.950 0.146 0.000 2.529 409 F HA 0.522 5.049 4.527 -0.001 0.000 0.320 409 F C -0.746 175.143 175.800 0.148 0.000 1.118 409 F CA -0.392 57.695 58.000 0.145 0.000 0.915 409 F CB 2.042 41.141 39.000 0.164 0.000 1.161 409 F HN 0.577 nan 8.300 nan 0.000 0.445 410 Q N 5.084 124.524 119.800 -0.599 0.000 2.377 410 Q HA 0.677 5.016 4.340 -0.001 0.000 0.271 410 Q C -2.048 173.716 176.000 -0.393 0.000 1.077 410 Q CA -0.643 54.953 55.803 -0.344 0.000 0.820 410 Q CB 2.133 30.752 28.738 -0.198 0.000 1.347 410 Q HN 0.691 nan 8.270 nan 0.000 0.444 411 F N 0.656 120.469 119.950 -0.229 0.000 2.669 411 F HA 0.581 5.108 4.527 -0.001 0.000 0.315 411 F C -1.596 174.203 175.800 -0.001 0.000 1.109 411 F CA -0.238 57.701 58.000 -0.102 0.000 1.028 411 F CB 1.492 40.533 39.000 0.068 0.000 1.287 411 F HN 0.505 nan 8.300 nan 0.000 0.452 412 S N 4.596 119.803 115.700 -0.822 0.000 2.536 412 S HA 0.609 5.079 4.470 -0.001 0.000 0.287 412 S C -2.045 172.080 174.600 -0.792 0.000 1.101 412 S CA -0.625 57.197 58.200 -0.630 0.000 0.950 412 S CB 1.994 64.990 63.200 -0.341 0.000 1.056 412 S HN 0.644 nan 8.310 nan 0.000 0.481 413 Y N 0.983 120.894 120.300 -0.649 0.000 2.534 413 Y HA 0.613 5.163 4.550 -0.001 0.000 0.345 413 Y C -1.110 174.549 175.900 -0.402 0.000 1.031 413 Y CA -0.388 57.380 58.100 -0.554 0.000 1.022 413 Y CB 1.784 39.920 38.460 -0.540 0.000 1.292 413 Y HN 0.550 nan 8.280 nan 0.000 0.459 414 T N 6.532 120.372 114.554 -1.190 0.000 2.815 414 T HA 0.410 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 0.094 68.674 68.868 -0.480 0.000 0.944 414 T HN 0.411 nan 8.240 nan 0.000 0.442 415 F N 2.593 122.148 119.950 -0.659 0.000 2.490 415 F HA 0.228 4.755 4.527 -0.001 0.000 0.336 415 F C 1.530 177.146 175.800 -0.306 0.000 1.178 415 F CA -0.458 57.315 58.000 -0.378 0.000 1.301 415 F CB 0.573 39.425 39.000 -0.247 0.000 1.175 415 F HN 0.568 nan 8.300 nan 0.000 0.593 416 E N -0.152 120.047 120.200 -0.001 0.000 2.359 416 E HA 0.229 4.578 4.350 -0.001 0.000 0.255 416 E C -1.315 175.262 176.600 -0.039 0.000 1.191 416 E CA -0.964 55.414 56.400 -0.037 0.000 0.952 416 E CB 0.379 30.080 29.700 0.002 0.000 1.152 416 E HN 0.358 nan 8.360 nan 0.000 0.496 417 D N 0.637 121.008 120.400 -0.048 0.000 2.342 417 D HA 0.180 4.820 4.640 -0.001 0.000 0.260 417 D C -1.134 175.139 176.300 -0.046 0.000 1.278 417 D CA 0.201 54.163 54.000 -0.062 0.000 0.910 417 D CB 0.984 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 4.422 124.293 119.914 -0.071 0.000 2.577 418 V HA 0.445 4.565 4.120 -0.001 0.000 0.303 418 V C -2.454 173.633 176.094 -0.010 0.000 1.042 418 V CA -2.383 59.917 62.300 0.001 0.000 0.872 418 V CB 2.050 33.924 31.823 0.084 0.000 0.998 418 V HN 0.325 nan 8.190 nan 0.000 0.423 419 P HA 0.077 nan 4.420 nan 0.000 0.266 419 P C -0.523 176.870 177.300 0.155 0.000 1.186 419 P CA 0.332 63.480 63.100 0.080 0.000 0.767 419 P CB 0.102 31.856 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 4.545 4.527 -0.001 0.000 0.359 420 F C 1.785 177.667 175.800 0.136 0.000 1.147 420 F CA 0.481 58.592 58.000 0.186 0.000 1.341 420 F CB -0.055 39.031 39.000 0.143 0.000 1.104 420 F HN 0.423 nan 8.300 nan 0.000 0.603 421 H N 0.892 120.034 119.070 0.119 0.000 2.679 421 H HA 0.198 4.754 4.556 -0.001 0.000 0.369 421 H C -0.366 174.965 175.328 0.006 0.000 1.178 421 H CA -0.438 55.523 56.048 -0.145 0.000 1.419 421 H CB 0.689 30.133 29.762 -0.530 0.000 1.458 421 H HN 0.471 nan 8.280 nan 0.000 0.605 422 S N 2.432 117.565 115.700 -0.945 0.000 2.416 422 S HA 0.083 4.553 4.470 -0.001 0.000 0.302 422 S C 0.127 174.421 174.600 -0.510 0.000 1.120 422 S CA -0.399 57.419 58.200 -0.637 0.000 1.067 422 S CB 0.298 62.960 63.200 -0.897 0.000 1.057 422 S HN 0.592 nan 8.310 nan 0.000 0.518 423 S N 2.954 118.665 115.700 0.019 0.000 2.602 423 S HA 0.256 4.726 4.470 -0.001 0.000 0.246 423 S C -0.181 174.498 174.600 0.132 0.000 1.009 423 S CA -0.554 57.731 58.200 0.142 0.000 1.052 423 S CB -0.508 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 -1.712 118.466 120.300 -0.204 0.000 2.638 424 Y HA 0.891 5.441 4.550 -0.001 0.000 0.339 424 Y C -0.815 174.878 175.900 -0.345 0.000 1.084 424 Y CA -1.888 56.020 58.100 -0.320 0.000 1.068 424 Y CB 0.733 38.799 38.460 -0.656 0.000 1.294 424 Y HN -0.057 nan 8.280 nan 0.000 0.480 425 A N 1.082 123.748 122.820 -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 1.802 120.849 119.070 -0.038 0.000 2.764 426 H HA 0.124 4.679 4.556 -0.001 0.000 0.341 426 H C 1.360 176.683 175.328 -0.008 0.000 1.072 426 H CA 0.999 57.047 56.048 -0.001 0.000 1.444 426 H CB 1.349 31.105 29.762 -0.010 0.000 1.458 426 H HN 0.783 nan 8.280 nan 0.000 0.572 427 S N 2.205 117.976 115.700 0.118 0.000 2.558 427 S HA 0.039 4.509 4.470 -0.001 0.000 0.217 427 S C 0.581 175.223 174.600 0.069 0.000 0.975 427 S CA -0.088 58.157 58.200 0.076 0.000 0.912 427 S CB 0.488 63.728 63.200 0.067 0.000 0.776 427 S HN 0.595 nan 8.310 nan 0.000 0.526 428 Q N 0.384 120.231 119.800 0.078 0.000 2.486 428 Q HA 0.661 5.001 4.340 -0.001 0.000 0.274 428 Q C -1.134 174.883 176.000 0.028 0.000 1.076 428 Q CA -0.802 55.026 55.803 0.042 0.000 0.872 428 Q CB 1.906 30.660 28.738 0.026 0.000 1.383 428 Q HN 0.264 nan 8.270 nan 0.000 0.478 429 S N -0.370 115.335 115.700 0.008 0.000 2.526 429 S HA 0.325 4.795 4.470 -0.001 0.000 0.293 429 S C 0.687 175.281 174.600 -0.009 0.000 1.092 429 S CA -0.565 57.634 58.200 -0.003 0.000 0.980 429 S CB 0.877 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 1.919 178.807 176.870 0.030 0.000 1.085 430 L CA 2.067 56.916 54.840 0.015 0.000 0.760 430 L CB -0.225 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 -1.631 118.772 120.400 0.005 0.000 2.355 431 D HA -0.081 4.559 4.640 -0.001 0.000 0.206 431 D C 0.882 177.176 176.300 -0.011 0.000 1.010 431 D CA 0.132 54.127 54.000 -0.008 0.000 0.875 431 D CB 0.030 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 1.171 121.668 120.500 -0.004 0.000 4.017 432 R HA 0.235 4.575 4.340 -0.001 0.000 0.272 432 R C 0.557 176.861 176.300 0.006 0.000 1.516 432 R CA -0.271 55.827 56.100 -0.003 0.000 1.519 432 R CB 0.444 30.744 30.300 -0.000 0.000 1.422 432 R HN 0.199 nan 8.270 nan 0.000 0.719 433 L N 0.480 121.708 121.223 0.009 0.000 2.609 433 L HA 0.224 4.564 4.340 -0.001 0.000 0.230 433 L C 0.350 177.230 176.870 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 42.229 42.059 0.053 0.000 1.139 433 L HN 0.196 nan 8.230 nan 0.000 0.490 434 M N -0.876 118.724 119.600 -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 -0.371 54.922 55.300 -0.011 0.000 0.959 434 M CB -0.806 31.773 32.600 -0.036 0.000 1.313 434 M HN -0.140 nan 8.290 nan 0.000 0.530 435 N N 0.765 119.457 118.700 -0.013 0.000 2.408 435 N HA 0.301 5.040 4.740 -0.001 0.000 0.257 435 N C -2.150 173.353 175.510 -0.012 0.000 1.064 435 N CA -1.703 51.342 53.050 -0.008 0.000 0.952 435 N CB 0.705 39.188 38.487 -0.006 0.000 1.093 435 N HN 0.345 nan 8.380 nan 0.000 0.490 436 P HA -0.020 nan 4.420 nan 0.000 0.225 436 P C 0.816 178.111 177.300 -0.007 0.000 1.148 436 P CA 0.642 63.738 63.100 -0.008 0.000 0.779 436 P CB 0.488 32.186 31.700 -0.003 0.000 0.780 437 L N -2.122 119.098 121.223 -0.005 0.000 2.470 437 L HA 0.140 4.480 4.340 -0.001 0.000 0.219 437 L C 1.022 177.890 176.870 -0.004 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 -0.681 119.886 120.570 -0.006 0.000 2.607 438 I HA 0.308 4.477 4.170 -0.001 0.000 0.305 438 I C -0.526 175.580 176.117 -0.019 0.000 0.995 438 I CA -0.840 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 2.949 123.337 120.400 -0.019 0.000 2.253 439 D HA 0.370 5.009 4.640 -0.001 0.000 0.249 439 D C 0.190 176.451 176.300 -0.064 0.000 1.049 439 D CA -0.345 53.631 54.000 -0.040 0.000 0.929 439 D CB 0.849 41.627 40.800 -0.036 0.000 1.176 439 D HN 0.352 nan 8.370 nan 0.000 0.437 440 Q N 0.133 119.862 119.800 -0.118 0.000 2.500 440 Q HA 0.165 4.505 4.340 -0.001 0.000 0.215 440 Q C 0.133 176.034 176.000 -0.165 0.000 1.062 440 Q CA -0.218 55.455 55.803 -0.217 0.000 0.996 440 Q CB 0.464 29.042 28.738 -0.266 0.000 1.239 440 Q HN 0.692 nan 8.270 nan 0.000 0.578 441 Y N -2.016 118.249 120.300 -0.058 0.000 2.531 441 Y HA 0.433 4.983 4.550 -0.001 0.000 0.249 441 Y C -0.186 175.706 175.900 -0.014 0.000 1.168 441 Y CA -0.510 57.568 58.100 -0.037 0.000 1.226 441 Y CB 0.379 38.847 38.460 0.013 0.000 1.177 441 Y HN 0.173 nan 8.280 nan 0.000 0.527 442 L N 0.980 122.158 121.223 -0.075 0.000 2.360 442 L HA 0.430 4.770 4.340 -0.001 0.000 0.271 442 L C -1.089 175.752 176.870 -0.049 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 -0.035 0.000 1.207 442 L HN 0.084 nan 8.230 nan 0.000 0.445 443 Y N 0.398 120.740 120.300 0.070 0.000 2.468 443 Y HA 0.468 5.018 4.550 -0.001 0.000 0.342 443 Y C -0.412 175.575 175.900 0.145 0.000 1.021 443 Y CA -0.619 57.513 58.100 0.054 0.000 1.079 443 Y CB 1.852 40.293 38.460 -0.032 0.000 1.226 443 Y HN 0.393 nan 8.280 nan 0.000 0.460 444 Y N 0.439 120.888 120.300 0.249 0.000 2.602 444 Y HA 0.728 5.278 4.550 -0.001 0.000 0.342 444 Y C -1.629 174.481 175.900 0.351 0.000 1.029 444 Y CA -1.867 56.372 58.100 0.232 0.000 1.080 444 Y CB 1.149 39.672 38.460 0.104 0.000 1.284 444 Y HN 0.546 nan 8.280 nan 0.000 0.485 445 L N 3.252 124.727 121.223 0.420 0.000 2.257 445 L HA 0.411 4.750 4.340 -0.001 0.000 0.290 445 L C -0.035 176.914 176.870 0.133 0.000 1.044 445 L CA -0.079 54.845 54.840 0.140 0.000 0.810 445 L CB 0.588 42.701 42.059 0.091 0.000 1.193 445 L HN 1.045 nan 8.230 nan 0.000 0.425 446 N N 2.574 121.278 118.700 0.006 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 0.102 0.000 0.894 446 N CB 0.584 39.210 38.487 0.233 0.000 1.041 446 N HN 0.335 nan 8.380 nan 0.000 0.506 447 R N 1.051 121.491 120.500 -0.101 0.000 2.476 447 R HA 0.257 4.597 4.340 -0.001 0.000 0.305 447 R C 0.074 176.290 176.300 -0.141 0.000 0.965 447 R CA -0.318 55.721 56.100 -0.101 0.000 0.867 447 R CB 1.487 31.727 30.300 -0.100 0.000 1.176 447 R HN 0.236 nan 8.270 nan 0.000 0.447 448 T N -1.542 112.957 114.554 -0.091 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 4.700 4.340 -0.001 0.000 0.242 449 Q C 1.511 177.488 176.000 -0.038 0.000 0.818 449 Q CA -0.014 55.765 55.803 -0.040 0.000 0.962 449 Q CB -0.492 28.229 28.738 -0.028 0.000 1.272 449 Q HN 0.320 nan 8.270 nan 0.000 0.593 450 G N 1.742 110.521 108.800 -0.034 0.000 2.151 450 G HA2 0.271 4.231 3.960 -0.001 0.000 0.269 450 G HA3 0.271 4.231 3.960 -0.001 0.000 0.269 450 G C -0.419 174.461 174.900 -0.032 0.000 1.069 450 G CA 0.856 45.940 45.100 -0.028 0.000 1.080 450 G HN 0.370 nan 8.290 nan 0.000 0.405 451 T N 0.736 115.274 114.554 -0.026 0.000 2.551 451 T HA 0.332 4.682 4.350 -0.001 0.000 0.249 451 T C 0.672 175.362 174.700 -0.017 0.000 0.851 451 T CA -0.577 61.507 62.100 -0.025 0.000 1.149 451 T CB 0.607 69.459 68.868 -0.027 0.000 1.456 451 T HN 0.184 nan 8.240 nan 0.000 0.514 452 T N 2.856 117.401 114.554 -0.015 0.000 3.826 452 T HA 0.121 4.471 4.350 -0.001 0.000 0.239 452 T C 0.622 175.316 174.700 -0.010 0.000 1.007 452 T CA 0.149 62.243 62.100 -0.011 0.000 1.171 452 T CB -0.651 68.211 68.868 -0.009 0.000 1.153 452 T HN 0.531 nan 8.240 nan 0.000 0.854 453 S N 2.614 118.308 115.700 -0.010 0.000 3.829 453 S HA 0.349 4.819 4.470 -0.001 0.000 0.250 453 S C 1.245 175.841 174.600 -0.007 0.000 1.263 453 S CA -0.159 58.035 58.200 -0.009 0.000 0.955 453 S CB -0.643 62.552 63.200 -0.009 0.000 1.611 453 S HN 0.811 nan 8.310 nan 0.000 0.483 454 G N 2.012 110.808 108.800 -0.007 0.000 2.449 454 G HA2 0.293 4.253 3.960 -0.001 0.000 0.192 454 G HA3 0.293 4.253 3.960 -0.001 0.000 0.192 454 G C -0.222 174.675 174.900 -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 1.580 116.130 114.554 -0.006 0.000 2.824 455 T HA 0.475 4.825 4.350 -0.001 0.000 0.280 455 T C 0.286 174.982 174.700 -0.006 0.000 0.995 455 T CA 0.556 62.653 62.100 -0.005 0.000 1.009 455 T CB 1.253 70.119 68.868 -0.004 0.000 0.955 455 T HN 0.509 nan 8.240 nan 0.000 0.452 456 T N 3.278 117.828 114.554 -0.006 0.000 3.935 456 T HA -0.173 4.176 4.350 -0.001 0.000 0.346 456 T C 0.161 174.856 174.700 -0.008 0.000 0.758 456 T CA 0.580 62.676 62.100 -0.006 0.000 1.874 456 T CB -1.236 67.629 68.868 -0.005 0.000 1.875 456 T HN 0.617 nan 8.240 nan 0.000 0.802 457 N N 1.678 120.373 118.700 -0.009 0.000 2.851 457 N HA 0.126 4.866 4.740 -0.001 0.000 0.248 457 N C 1.423 176.926 175.510 -0.012 0.000 1.221 457 N CA -0.459 52.584 53.050 -0.011 0.000 0.847 457 N CB 1.288 39.768 38.487 -0.012 0.000 1.150 457 N HN 0.534 nan 8.380 nan 0.000 0.507 458 Q N 0.278 120.071 119.800 -0.012 0.000 2.036 458 Q HA 0.042 4.382 4.340 -0.001 0.000 0.195 458 Q C 0.327 176.317 176.000 -0.017 0.000 0.971 458 Q CA 0.843 56.638 55.803 -0.013 0.000 0.826 458 Q CB -0.073 28.658 28.738 -0.011 0.000 0.896 458 Q HN 0.337 nan 8.270 nan 0.000 0.449 459 S N -1.045 114.643 115.700 -0.020 0.000 2.596 459 S HA 0.787 5.256 4.470 -0.001 0.000 0.270 459 S C -1.018 173.563 174.600 -0.032 0.000 1.155 459 S CA -1.006 57.177 58.200 -0.027 0.000 0.827 459 S CB 3.083 66.268 63.200 -0.025 0.000 1.130 459 S HN 0.422 nan 8.310 nan 0.000 0.467 460 R N 0.214 120.685 120.500 -0.048 0.000 2.687 460 R HA 0.414 4.754 4.340 -0.001 0.000 0.265 460 R C -2.098 174.139 176.300 -0.105 0.000 1.048 460 R CA -0.769 55.296 56.100 -0.058 0.000 0.884 460 R CB 1.007 31.277 30.300 -0.050 0.000 1.258 460 R HN 0.781 nan 8.270 nan 0.000 0.469 461 L N 5.137 126.287 121.223 -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 -0.265 0.000 0.824 461 L CB 0.850 42.817 42.059 -0.155 0.000 1.206 461 L HN 0.345 nan 8.230 nan 0.000 0.429 462 L N 3.667 124.560 121.223 -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 -0.645 0.000 1.000 462 L CA -0.459 54.117 54.840 -0.441 0.000 0.819 462 L CB 1.967 43.907 42.059 -0.199 0.000 1.284 462 L HN 0.303 nan 8.230 nan 0.000 0.418 463 F N 0.299 120.213 119.950 -0.060 0.000 2.520 463 F HA 0.518 5.045 4.527 -0.001 0.000 0.322 463 F C 0.318 176.069 175.800 -0.081 0.000 1.103 463 F CA -0.527 57.423 58.000 -0.083 0.000 0.926 463 F CB 2.230 41.205 39.000 -0.042 0.000 1.154 463 F HN 0.265 nan 8.300 nan 0.000 0.453 464 S N 1.564 117.157 115.700 -0.179 0.000 2.503 464 S HA 0.308 4.778 4.470 -0.001 0.000 0.301 464 S C -0.825 173.511 174.600 -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 2.383 121.964 119.800 -0.365 0.000 2.286 465 Q HA 0.530 4.869 4.340 -0.001 0.000 0.257 465 Q C -0.179 175.700 176.000 -0.202 0.000 0.941 465 Q CA -0.708 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 3.161 125.956 122.820 -0.041 0.000 2.565 466 A HA 0.460 4.779 4.320 -0.001 0.000 0.237 466 A C 0.313 177.898 177.584 0.002 0.000 1.053 466 A CA 0.763 52.872 52.037 0.119 0.000 0.755 466 A CB 0.039 19.049 19.000 0.015 0.000 0.980 466 A HN 0.863 nan 8.150 nan 0.000 0.506 467 G N 1.148 109.966 108.800 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 -2.375 172.518 174.900 -0.011 0.000 1.341 467 G CA -1.168 43.931 45.100 -0.001 0.000 0.916 467 G HN 0.302 nan 8.290 nan 0.000 0.474 468 P HA -0.108 nan 4.420 nan 0.000 0.221 468 P C 1.577 178.869 177.300 -0.012 0.000 1.145 468 P CA 1.118 64.208 63.100 -0.017 0.000 0.795 468 P CB 0.332 32.026 31.700 -0.011 0.000 0.775 469 Q N -0.253 119.546 119.800 -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 1.556 57.361 55.803 0.003 0.000 0.828 469 Q CB -0.772 27.976 28.738 0.015 0.000 0.894 469 Q HN 0.295 nan 8.270 nan 0.000 0.432 470 S N 0.339 116.045 115.700 0.009 0.000 3.864 470 S HA 0.129 4.599 4.470 -0.001 0.000 0.202 470 S C 0.994 175.545 174.600 -0.081 0.000 1.402 470 S CA -0.204 57.984 58.200 -0.019 0.000 1.072 470 S CB -0.177 63.050 63.200 0.046 0.000 1.383 470 S HN 0.246 nan 8.310 nan 0.000 0.458 471 M N 2.110 121.672 119.600 -0.062 0.000 2.319 471 M HA -0.061 4.418 4.480 -0.001 0.000 0.265 471 M C 1.636 177.882 176.300 -0.090 0.000 1.068 471 M CA 1.351 56.610 55.300 -0.067 0.000 1.118 471 M CB -0.041 32.534 32.600 -0.043 0.000 1.395 471 M HN 0.684 nan 8.290 nan 0.000 0.435 472 S N -1.142 114.497 115.700 -0.101 0.000 2.574 472 S HA 0.260 4.730 4.470 -0.001 0.000 0.242 472 S C 0.839 175.341 174.600 -0.162 0.000 0.982 472 S CA -0.544 57.590 58.200 -0.109 0.000 0.977 472 S CB -0.159 62.992 63.200 -0.081 0.000 0.814 472 S HN 0.544 nan 8.310 nan 0.000 0.464 473 L N -0.229 120.846 121.223 -0.247 0.000 2.840 473 L HA 0.314 4.654 4.340 -0.001 0.000 0.249 473 L C 0.633 177.219 176.870 -0.474 0.000 1.119 473 L CA -0.230 54.356 54.840 -0.422 0.000 0.930 473 L CB 0.096 41.748 42.059 -0.677 0.000 1.295 473 L HN 0.264 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 4.617 4.340 -0.001 0.000 0.276 474 Q C 0.508 176.410 176.000 -0.164 0.000 1.059 474 Q CA -0.093 55.580 55.803 -0.217 0.000 0.923 474 Q CB 0.837 29.488 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 0.156 4.475 4.320 -0.001 0.000 0.236 475 A C 0.036 177.546 177.584 -0.124 0.000 1.062 475 A CA 0.262 52.237 52.037 -0.103 0.000 0.760 475 A CB 0.283 19.230 19.000 -0.089 0.000 0.995 475 A HN 0.604 nan 8.150 nan 0.000 0.501 476 R N 0.317 120.743 120.500 -0.123 0.000 2.892 476 R HA 0.483 4.823 4.340 -0.001 0.000 0.265 476 R C 0.347 176.509 176.300 -0.230 0.000 1.025 476 R CA -0.604 55.411 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 -0.450 118.027 118.700 -0.370 0.000 2.332 477 N HA 0.174 4.914 4.740 -0.001 0.000 0.190 477 N C -0.968 173.994 175.510 -0.913 0.000 1.117 477 N CA 0.346 52.926 53.050 -0.782 0.000 0.883 477 N CB 0.473 38.271 38.487 -1.148 0.000 1.089 477 N HN 0.361 nan 8.380 nan 0.000 0.480 478 W N 0.164 121.467 121.300 0.004 0.000 3.029 478 W HA 0.590 5.250 4.660 -0.001 0.000 0.339 478 W C -0.610 175.925 176.519 0.027 0.000 1.198 478 W CA -0.816 56.540 57.345 0.019 0.000 1.148 478 W CB 0.831 30.295 29.460 0.007 0.000 1.451 478 W HN -0.355 nan 8.180 nan 0.000 0.564 479 L N 1.941 123.358 121.223 0.323 0.000 2.322 479 L HA 0.626 4.965 4.340 -0.001 0.000 0.269 479 L C -2.104 174.894 176.870 0.213 0.000 1.012 479 L CA -2.806 52.164 54.840 0.217 0.000 0.815 479 L CB 0.579 42.769 42.059 0.218 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 -0.068 177.379 177.300 0.245 0.000 1.266 480 P CA -0.344 62.851 63.100 0.158 0.000 0.793 480 P CB 0.442 32.179 31.700 0.060 0.000 1.074 481 G N 0.593 109.538 108.800 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 -2.297 172.650 174.900 0.079 0.000 1.238 481 G CA -0.931 44.273 45.100 0.174 0.000 0.934 481 G HN 0.363 nan 8.290 nan 0.000 0.534 482 P HA 0.262 nan 4.420 nan 0.000 0.274 482 P C -0.040 177.200 177.300 -0.100 0.000 1.260 482 P CA -0.113 62.864 63.100 -0.205 0.000 0.793 482 P CB 0.830 32.315 31.700 -0.358 0.000 1.048 483 C N -0.817 118.412 119.300 -0.118 0.000 3.239 483 C HA 0.694 5.153 4.460 -0.001 0.000 0.317 483 C C -1.678 173.345 174.990 0.055 0.000 1.310 483 C CA -0.731 58.289 59.018 0.003 0.000 1.371 483 C CB 0.694 28.501 27.740 0.110 0.000 1.714 483 C HN 0.617 nan 8.230 nan 0.000 0.473 484 Y N 1.927 122.198 120.300 -0.049 0.000 2.484 484 Y HA 0.483 5.033 4.550 -0.001 0.000 0.348 484 Y C 0.417 176.310 175.900 -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 3.693 124.105 120.500 -0.146 0.000 2.500 485 R HA -0.001 4.339 4.340 -0.001 0.000 0.281 485 R C -0.383 175.872 176.300 -0.076 0.000 0.953 485 R CA 0.786 56.830 56.100 -0.093 0.000 1.108 485 R CB 0.502 30.730 30.300 -0.120 0.000 0.901 485 R HN 0.614 nan 8.270 nan 0.000 0.410 486 Q N 2.160 121.941 119.800 -0.032 0.000 2.241 486 Q HA 0.134 4.473 4.340 -0.001 0.000 0.262 486 Q C -0.708 175.251 176.000 -0.068 0.000 1.014 486 Q CA -0.856 54.914 55.803 -0.055 0.000 0.885 486 Q CB 1.624 30.317 28.738 -0.076 0.000 1.311 486 Q HN 0.505 nan 8.270 nan 0.000 0.461 487 Q N 1.138 120.894 119.800 -0.074 0.000 2.340 487 Q HA 0.152 4.491 4.340 -0.001 0.000 0.249 487 Q C -0.816 175.149 176.000 -0.058 0.000 0.957 487 Q CA 0.160 55.945 55.803 -0.031 0.000 0.882 487 Q CB 0.764 29.541 28.738 0.065 0.000 1.235 487 Q HN 0.381 nan 8.270 nan 0.000 0.439 488 R N 3.002 123.476 120.500 -0.043 0.000 2.308 488 R HA 0.446 4.786 4.340 -0.001 0.000 0.305 488 R C -1.187 175.095 176.300 -0.029 0.000 1.053 488 R CA -0.449 55.616 56.100 -0.058 0.000 0.957 488 R CB 0.357 30.600 30.300 -0.095 0.000 1.022 488 R HN 0.526 nan 8.270 nan 0.000 0.461 489 L N 1.778 122.890 121.223 -0.185 0.000 2.341 489 L HA 0.434 4.773 4.340 -0.001 0.000 0.267 489 L C -0.249 176.516 176.870 -0.176 0.000 1.009 489 L CA -0.183 54.486 54.840 -0.285 0.000 0.819 489 L CB 2.020 43.578 42.059 -0.834 0.000 1.323 489 L HN 0.574 nan 8.230 nan 0.000 0.425 490 S N 0.100 115.766 115.700 -0.057 0.000 2.537 490 S HA 0.456 4.925 4.470 -0.001 0.000 0.301 490 S C 0.743 175.342 174.600 -0.002 0.000 1.092 490 S CA -0.570 57.521 58.200 -0.182 0.000 1.048 490 S CB 1.107 64.141 63.200 -0.277 0.000 1.053 490 S HN 0.641 nan 8.310 nan 0.000 0.501 491 K N 1.110 121.514 120.400 0.007 0.000 2.296 491 K HA 0.032 4.351 4.320 -0.001 0.000 0.200 491 K C 0.194 176.802 176.600 0.012 0.000 1.048 491 K CA 0.730 57.069 56.287 0.086 0.000 0.966 491 K CB -0.202 32.318 32.500 0.033 0.000 0.754 491 K HN 0.541 nan 8.250 nan 0.000 0.466 492 T N 1.750 116.276 114.554 -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 -0.800 18.221 19.000 0.035 0.000 0.833 493 A HN 0.956 nan 8.150 nan 0.000 0.564 494 N N -2.555 116.163 118.700 0.030 0.000 1.952 494 N HA -0.033 4.706 4.740 -0.001 0.000 0.228 494 N C -0.516 175.015 175.510 0.036 0.000 1.398 494 N CA 0.180 53.248 53.050 0.031 0.000 0.817 494 N CB 0.112 38.610 38.487 0.019 0.000 1.101 494 N HN 0.141 nan 8.380 nan 0.000 0.498 495 D N 0.853 121.278 120.400 0.041 0.000 2.323 495 D HA 0.092 4.732 4.640 -0.001 0.000 0.209 495 D C 0.096 176.446 176.300 0.083 0.000 0.973 495 D CA 0.537 54.577 54.000 0.066 0.000 0.874 495 D CB 0.051 40.898 40.800 0.078 0.000 0.930 495 D HN 0.251 nan 8.370 nan 0.000 0.521 496 N N 1.058 119.810 118.700 0.086 0.000 2.463 496 N HA 0.033 4.773 4.740 -0.001 0.000 0.270 496 N C 0.069 175.615 175.510 0.060 0.000 1.205 496 N CA -0.332 52.782 53.050 0.106 0.000 0.974 496 N CB 0.442 39.040 38.487 0.185 0.000 1.197 496 N HN -0.001 nan 8.380 nan 0.000 0.504 497 N N 0.752 119.450 118.700 -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 0.277 53.289 53.050 -0.063 0.000 0.926 497 N CB 0.141 38.471 38.487 -0.261 0.000 1.078 497 N HN 0.472 nan 8.380 nan 0.000 0.454 498 N N 1.634 120.349 118.700 0.024 0.000 3.210 498 N HA -0.023 4.716 4.740 -0.001 0.000 0.314 498 N C -0.845 174.706 175.510 0.068 0.000 1.291 498 N CA -0.276 52.806 53.050 0.054 0.000 1.202 498 N CB -0.031 38.476 38.487 0.032 0.000 1.475 498 N HN 0.475 nan 8.380 nan 0.000 0.554 499 S N 0.033 115.807 115.700 0.124 0.000 2.661 499 S HA 0.294 4.764 4.470 -0.001 0.000 0.285 499 S C -0.773 174.022 174.600 0.324 0.000 1.138 499 S CA -1.076 57.222 58.200 0.164 0.000 0.855 499 S CB 1.604 64.860 63.200 0.093 0.000 1.136 499 S HN 0.240 nan 8.310 nan 0.000 0.484 500 N N 0.742 119.597 118.700 0.259 0.000 2.699 500 N HA 0.420 5.159 4.740 -0.001 0.000 0.232 500 N C -0.600 175.064 175.510 0.258 0.000 1.027 500 N CA -1.037 52.140 53.050 0.212 0.000 0.920 500 N CB -0.285 38.267 38.487 0.110 0.000 1.148 500 N HN 0.678 nan 8.380 nan 0.000 0.509 501 F N 1.160 121.152 119.950 0.069 0.000 2.791 501 F HA 0.573 5.100 4.527 -0.001 0.000 0.308 501 F C -1.839 174.024 175.800 0.105 0.000 1.138 501 F CA -1.606 56.440 58.000 0.077 0.000 1.294 501 F CB 0.662 39.686 39.000 0.039 0.000 0.975 501 F HN 0.191 nan 8.300 nan 0.000 0.512 502 P HA -0.077 nan 4.420 nan 0.000 0.242 502 P C 0.779 178.186 177.300 0.178 0.000 1.197 502 P CA 1.109 64.162 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 -0.283 121.022 121.300 0.009 0.000 3.792 503 W HA 0.021 4.680 4.660 -0.001 0.000 0.217 503 W C 0.910 177.463 176.519 0.057 0.000 1.098 503 W CA 0.845 58.205 57.345 0.025 0.000 1.657 503 W CB -0.117 29.343 29.460 -0.000 0.000 0.773 503 W HN -0.099 nan 8.180 nan 0.000 0.836 504 T N -0.483 114.130 114.554 0.099 0.000 3.055 504 T HA 0.223 4.572 4.350 -0.001 0.000 0.265 504 T C 1.354 176.049 174.700 -0.008 0.000 1.111 504 T CA 1.130 63.227 62.100 -0.005 0.000 1.118 504 T CB 0.042 68.986 68.868 0.126 0.000 0.909 504 T HN 0.088 nan 8.240 nan 0.000 0.501 505 A N 0.233 123.107 122.820 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 -0.074 52.038 52.037 0.124 0.000 0.959 505 A CB 0.098 19.263 19.000 0.276 0.000 1.124 505 A HN 0.633 nan 8.150 nan 0.000 0.543 506 A N -0.009 122.847 122.820 0.060 0.000 2.279 506 A HA 0.671 4.990 4.320 -0.001 0.000 0.303 506 A C 0.376 177.996 177.584 0.061 0.000 1.108 506 A CA -0.244 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 0.788 116.580 115.700 0.152 0.000 2.549 507 S HA 0.453 4.923 4.470 -0.001 0.000 0.279 507 S C 0.006 174.735 174.600 0.216 0.000 1.321 507 S CA -0.220 58.099 58.200 0.198 0.000 1.054 507 S CB 0.173 63.553 63.200 0.300 0.000 0.899 507 S HN 0.668 nan 8.310 nan 0.000 0.497 508 K N 1.139 121.644 120.400 0.175 0.000 2.571 508 K HA 0.580 4.899 4.320 -0.001 0.000 0.289 508 K C -1.611 175.075 176.600 0.144 0.000 1.028 508 K CA -1.049 55.261 56.287 0.039 0.000 0.895 508 K CB 1.158 33.525 32.500 -0.222 0.000 1.534 508 K HN 0.582 nan 8.250 nan 0.000 0.421 509 Y N -1.673 118.652 120.300 0.041 0.000 2.638 509 Y HA 0.621 5.170 4.550 -0.001 0.000 0.339 509 Y C -1.094 174.880 175.900 0.123 0.000 1.084 509 Y CA -1.062 57.074 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 0.750 nan 8.280 nan 0.000 0.480 510 H N 1.948 121.171 119.070 0.256 0.000 2.877 510 H HA 0.550 5.106 4.556 -0.001 0.000 0.347 510 H C -2.366 173.099 175.328 0.229 0.000 1.042 510 H CA -1.051 55.089 56.048 0.153 0.000 1.276 510 H CB 1.576 31.381 29.762 0.073 0.000 1.681 510 H HN 0.879 nan 8.280 nan 0.000 0.521 511 L N 4.172 125.479 121.223 0.141 0.000 2.305 511 L HA 0.184 4.523 4.340 -0.001 0.000 0.284 511 L C 0.398 177.339 176.870 0.117 0.000 1.013 511 L CA -0.647 54.232 54.840 0.065 0.000 0.819 511 L CB 1.074 43.232 42.059 0.164 0.000 1.227 511 L HN 0.865 nan 8.230 nan 0.000 0.417 512 N N 3.172 121.922 118.700 0.083 0.000 2.758 512 N HA -0.174 4.565 4.740 -0.001 0.000 0.248 512 N C 0.641 176.267 175.510 0.194 0.000 1.076 512 N CA 1.115 54.240 53.050 0.125 0.000 0.696 512 N CB -0.766 37.783 38.487 0.103 0.000 0.979 512 N HN 1.059 nan 8.380 nan 0.000 0.550 513 G N 0.002 109.014 108.800 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 -0.105 174.929 174.900 0.224 0.000 1.047 513 G CA 0.594 45.874 45.100 0.299 0.000 0.869 513 G HN 0.750 nan 8.290 nan 0.000 0.502 514 R N 0.398 121.065 120.500 0.278 0.000 2.507 514 R HA 0.280 4.620 4.340 -0.001 0.000 0.298 514 R C -1.118 175.293 176.300 0.185 0.000 1.087 514 R CA -0.835 55.383 56.100 0.197 0.000 0.917 514 R CB 0.793 31.195 30.300 0.169 0.000 1.173 514 R HN 0.133 nan 8.270 nan 0.000 0.472 515 D N 1.971 122.475 120.400 0.173 0.000 2.417 515 D HA 0.097 4.737 4.640 -0.001 0.000 0.250 515 D C -0.607 175.725 176.300 0.054 0.000 1.166 515 D CA 0.805 54.872 54.000 0.112 0.000 0.881 515 D CB 1.545 42.436 40.800 0.151 0.000 1.164 515 D HN 0.334 nan 8.370 nan 0.000 0.467 516 S N 1.632 117.156 115.700 -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 57.190 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 4.054 125.186 121.223 -0.152 0.000 2.418 517 L HA 0.307 4.646 4.340 -0.001 0.000 0.274 517 L C -0.241 176.574 176.870 -0.093 0.000 1.135 517 L CA 0.179 54.943 54.840 -0.127 0.000 0.870 517 L CB 0.527 42.532 42.059 -0.091 0.000 1.154 517 L HN 0.505 nan 8.230 nan 0.000 0.462 518 V N 6.866 126.794 119.914 0.023 0.000 2.070 518 V HA -0.003 4.117 4.120 -0.001 0.000 0.239 518 V C 1.369 177.557 176.094 0.157 0.000 1.472 518 V CA 0.120 62.515 62.300 0.160 0.000 1.453 518 V CB -0.958 30.982 31.823 0.195 0.000 1.503 518 V HN 0.914 nan 8.190 nan 0.000 0.501 519 N N 5.277 123.990 118.700 0.022 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 1.076 54.151 53.050 0.042 0.000 0.860 519 N CB -0.435 38.025 38.487 -0.045 0.000 1.055 519 N HN 0.357 nan 8.380 nan 0.000 0.429 520 P HA 0.277 nan 4.420 nan 0.000 0.291 520 P C -0.455 176.921 177.300 0.127 0.000 1.340 520 P CA -0.347 62.842 63.100 0.148 0.000 0.799 520 P CB 1.220 32.986 31.700 0.110 0.000 0.917 521 G N 4.835 113.716 108.800 0.135 0.000 2.509 521 G HA2 0.418 4.377 3.960 -0.001 0.000 0.269 521 G HA3 0.418 4.377 3.960 -0.001 0.000 0.269 521 G C -2.419 172.517 174.900 0.061 0.000 1.416 521 G CA -1.673 43.478 45.100 0.085 0.000 1.052 521 G HN 0.243 nan 8.290 nan 0.000 0.542 522 P HA 0.214 nan 4.420 nan 0.000 0.269 522 P C -0.152 177.172 177.300 0.039 0.000 1.205 522 P CA 0.161 63.259 63.100 -0.004 0.000 0.780 522 P CB 0.320 31.983 31.700 -0.061 0.000 0.858 523 A N 3.465 126.312 122.820 0.045 0.000 2.496 523 A HA 0.308 4.628 4.320 -0.001 0.000 0.278 523 A C 0.112 177.740 177.584 0.073 0.000 1.137 523 A CA 0.509 52.598 52.037 0.088 0.000 0.805 523 A CB -1.035 18.045 19.000 0.134 0.000 1.077 523 A HN 0.428 nan 8.150 nan 0.000 0.513 524 M N 2.247 121.896 119.600 0.081 0.000 2.518 524 M HA 0.555 5.034 4.480 -0.001 0.000 0.300 524 M C 0.267 176.609 176.300 0.070 0.000 1.175 524 M CA -0.433 54.911 55.300 0.073 0.000 0.890 524 M CB 2.296 34.940 32.600 0.073 0.000 1.710 524 M HN 0.679 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 4.649 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 51.876 52.037 0.018 0.000 0.777 525 A CB 0.220 19.204 19.000 -0.026 0.000 1.013 525 A HN 0.935 nan 8.150 nan 0.000 0.493 526 S N 0.460 116.181 115.700 0.035 0.000 2.395 526 S HA 0.040 4.509 4.470 -0.001 0.000 0.225 526 S C 0.678 175.401 174.600 0.205 0.000 1.027 526 S CA 1.281 59.567 58.200 0.143 0.000 0.965 526 S CB -0.261 63.083 63.200 0.239 0.000 0.812 526 S HN 0.951 nan 8.310 nan 0.000 0.482 527 H N 0.246 119.380 119.070 0.107 0.000 3.037 527 H HA 0.498 5.054 4.556 -0.001 0.000 0.355 527 H C -1.214 174.159 175.328 0.074 0.000 1.263 527 H CA -1.188 54.924 56.048 0.107 0.000 1.129 527 H CB 0.971 30.827 29.762 0.156 0.000 1.861 527 H HN 0.087 nan 8.280 nan 0.000 0.546 528 K N 0.771 121.268 120.400 0.162 0.000 2.179 528 K HA 0.225 4.545 4.320 -0.001 0.000 0.238 528 K C -0.602 176.101 176.600 0.172 0.000 1.033 528 K CA -0.775 55.563 56.287 0.086 0.000 0.926 528 K CB 0.651 33.180 32.500 0.048 0.000 1.151 528 K HN 0.326 nan 8.250 nan 0.000 0.492 529 D N 1.271 121.731 120.400 0.100 0.000 2.449 529 D HA -0.017 4.623 4.640 -0.001 0.000 0.236 529 D C -0.424 175.952 176.300 0.128 0.000 1.149 529 D CA 0.938 55.005 54.000 0.111 0.000 0.878 529 D CB 0.071 40.908 40.800 0.061 0.000 1.198 529 D HN 0.567 nan 8.370 nan 0.000 0.446 530 D N 1.472 121.947 120.400 0.125 0.000 2.699 530 D HA -0.171 4.469 4.640 -0.001 0.000 0.239 530 D C 0.551 176.919 176.300 0.112 0.000 1.136 530 D CA 0.920 54.978 54.000 0.097 0.000 0.668 530 D CB -0.446 40.396 40.800 0.070 0.000 1.060 530 D HN 0.588 nan 8.370 nan 0.000 0.429 531 E N -0.718 119.559 120.200 0.129 0.000 3.470 531 E HA 0.091 4.441 4.350 -0.001 0.000 0.220 531 E C 0.645 177.203 176.600 -0.071 0.000 1.260 531 E CA -0.085 56.383 56.400 0.115 0.000 1.240 531 E CB 0.405 30.256 29.700 0.252 0.000 2.780 531 E HN 0.049 nan 8.360 nan 0.000 0.573 532 E N 0.760 120.716 120.200 -0.407 0.000 3.916 532 E HA -0.265 4.085 4.350 -0.001 0.000 0.331 532 E C 0.769 177.153 176.600 -0.361 0.000 0.729 532 E CA 1.787 57.717 56.400 -0.783 0.000 1.222 532 E CB -1.043 28.457 29.700 -0.333 0.000 1.633 532 E HN 0.318 nan 8.360 nan 0.000 0.437 533 K N -0.983 119.283 120.400 -0.223 0.000 2.399 533 K HA 0.176 4.496 4.320 -0.001 0.000 0.196 533 K C 0.133 176.593 176.600 -0.234 0.000 1.103 533 K CA 0.114 56.259 56.287 -0.236 0.000 0.986 533 K CB 0.263 32.555 32.500 -0.346 0.000 0.952 533 K HN 0.053 nan 8.250 nan 0.000 0.541 534 F N 3.006 122.968 119.950 0.019 0.000 2.404 534 F HA 0.313 4.840 4.527 -0.001 0.000 0.358 534 F C -0.169 175.707 175.800 0.126 0.000 1.120 534 F CA -1.337 56.686 58.000 0.038 0.000 1.144 534 F CB 0.671 39.677 39.000 0.010 0.000 1.133 534 F HN -0.000 nan 8.300 nan 0.000 0.495 535 F N 3.253 123.311 119.950 0.180 0.000 2.508 535 F HA 0.801 5.327 4.527 -0.001 0.000 0.325 535 F C -3.117 172.750 175.800 0.113 0.000 1.090 535 F CA -3.845 54.237 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 0.059 nan 4.420 nan 0.000 0.268 536 P C -0.270 176.989 177.300 -0.068 0.000 1.204 536 P CA -0.212 62.883 63.100 -0.007 0.000 0.768 536 P CB 0.639 32.374 31.700 0.058 0.000 0.842 537 M N 5.645 125.112 119.600 -0.223 0.000 2.734 537 M HA -0.072 4.408 4.480 -0.001 0.000 0.356 537 M C 1.084 177.097 176.300 -0.479 0.000 1.790 537 M CA 0.813 55.959 55.300 -0.256 0.000 1.231 537 M CB -1.403 31.041 32.600 -0.259 0.000 2.102 537 M HN 0.605 nan 8.290 nan 0.000 0.463 538 H N 0.850 120.039 119.070 0.197 0.000 2.884 538 H HA -0.198 4.358 4.556 -0.001 0.000 0.289 538 H C 0.508 175.914 175.328 0.130 0.000 1.142 538 H CA 0.585 56.723 56.048 0.149 0.000 1.158 538 H CB -2.174 27.644 29.762 0.094 0.000 1.325 538 H HN 0.880 nan 8.280 nan 0.000 0.366 539 G N 0.919 109.755 108.800 0.060 0.000 3.155 539 G HA2 0.075 4.034 3.960 -0.001 0.000 0.213 539 G HA3 0.075 4.034 3.960 -0.001 0.000 0.213 539 G C 0.416 175.404 174.900 0.146 0.000 1.196 539 G CA 0.408 45.565 45.100 0.094 0.000 0.846 539 G HN 0.918 nan 8.290 nan 0.000 0.516 540 N N -1.205 117.587 118.700 0.153 0.000 3.046 540 N HA 0.243 4.983 4.740 -0.001 0.000 0.243 540 N C -1.615 173.914 175.510 0.031 0.000 1.452 540 N CA -0.871 52.245 53.050 0.110 0.000 0.882 540 N CB 0.942 39.498 38.487 0.115 0.000 1.425 540 N HN -0.189 nan 8.380 nan 0.000 0.517 541 L N 0.397 121.597 121.223 -0.037 0.000 2.371 541 L HA 0.521 4.860 4.340 -0.001 0.000 0.272 541 L C 0.017 176.646 176.870 -0.401 0.000 1.124 541 L CA -0.042 54.665 54.840 -0.220 0.000 0.816 541 L CB 0.318 42.231 42.059 -0.244 0.000 1.129 541 L HN 0.515 nan 8.230 nan 0.000 0.448 542 I N 2.793 123.064 120.570 -0.498 0.000 2.499 542 I HA 0.357 4.527 4.170 -0.001 0.000 0.288 542 I C -0.999 174.806 176.117 -0.520 0.000 1.048 542 I CA -0.385 60.659 61.300 -0.425 0.000 1.062 542 I CB 1.474 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 2.918 122.821 119.950 -0.079 0.000 2.443 543 F HA 0.618 5.144 4.527 -0.001 0.000 0.335 543 F C 0.993 176.758 175.800 -0.058 0.000 1.104 543 F CA -0.736 57.232 58.000 -0.053 0.000 1.013 543 F CB 1.851 40.822 39.000 -0.048 0.000 1.136 543 F HN 0.409 nan 8.300 nan 0.000 0.470 544 G N 2.754 111.639 108.800 0.141 0.000 2.353 544 G HA2 0.341 4.301 3.960 -0.001 0.000 0.284 544 G HA3 0.341 4.301 3.960 -0.001 0.000 0.284 544 G C -0.502 174.420 174.900 0.036 0.000 1.172 544 G CA -0.715 44.417 45.100 0.055 0.000 0.854 544 G HN 0.559 nan 8.290 nan 0.000 0.485 545 K N 0.698 121.096 120.400 -0.004 0.000 2.285 545 K HA 0.031 4.351 4.320 -0.001 0.000 0.255 545 K C 0.307 176.883 176.600 -0.040 0.000 1.000 545 K CA -0.075 56.188 56.287 -0.040 0.000 0.887 545 K CB 0.547 33.014 32.500 -0.057 0.000 0.997 545 K HN 0.495 nan 8.250 nan 0.000 0.510 546 E N 0.536 120.695 120.200 -0.069 0.000 2.351 546 E HA 0.099 4.449 4.350 -0.001 0.000 0.266 546 E C -0.294 176.280 176.600 -0.043 0.000 1.031 546 E CA 0.977 57.342 56.400 -0.058 0.000 0.911 546 E CB 0.113 29.757 29.700 -0.093 0.000 0.986 546 E HN 0.630 nan 8.360 nan 0.000 0.446 547 G N 3.685 112.471 108.800 -0.023 0.000 2.694 547 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.247 547 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.247 547 G C -0.409 174.479 174.900 -0.020 0.000 0.989 547 G CA 0.093 45.182 45.100 -0.019 0.000 1.252 547 G HN 0.628 nan 8.290 nan 0.000 0.483 548 T N 1.404 115.951 114.554 -0.012 0.000 3.578 548 T HA 0.460 4.809 4.350 -0.001 0.000 0.343 548 T C 0.349 175.044 174.700 -0.009 0.000 1.126 548 T CA -0.089 62.003 62.100 -0.014 0.000 1.092 548 T CB 1.179 70.037 68.868 -0.017 0.000 1.160 548 T HN 0.795 nan 8.240 nan 0.000 0.469 549 T N 2.509 117.056 114.554 -0.011 0.000 2.939 549 T HA 0.168 4.517 4.350 -0.001 0.000 0.312 549 T C 1.629 176.323 174.700 -0.010 0.000 1.064 549 T CA 0.278 62.372 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 0.220 4.539 4.320 -0.001 0.000 0.211 550 A C 1.426 178.999 177.584 -0.018 0.000 1.158 550 A CA 0.261 52.291 52.037 -0.011 0.000 0.761 550 A CB 0.163 19.159 19.000 -0.007 0.000 0.801 550 A HN 0.608 nan 8.150 nan 0.000 0.473 551 S N 0.145 115.834 115.700 -0.018 0.000 2.530 551 S HA 0.417 4.887 4.470 -0.001 0.000 0.322 551 S C -0.462 174.126 174.600 -0.020 0.000 1.085 551 S CA -0.702 57.485 58.200 -0.022 0.000 1.096 551 S CB -0.304 62.882 63.200 -0.022 0.000 0.988 551 S HN 0.539 nan 8.310 nan 0.000 0.466 552 N N 2.264 120.951 118.700 -0.022 0.000 2.620 552 N HA -0.202 4.538 4.740 -0.001 0.000 0.293 552 N C -0.500 175.000 175.510 -0.017 0.000 1.178 552 N CA 0.661 53.700 53.050 -0.018 0.000 0.750 552 N CB -0.420 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 0.578 4.897 4.320 -0.001 0.000 0.330 553 A C 0.321 177.893 177.584 -0.020 0.000 1.146 553 A CA -0.547 51.478 52.037 -0.019 0.000 0.827 553 A CB 1.028 20.015 19.000 -0.021 0.000 1.178 553 A HN 0.497 nan 8.150 nan 0.000 0.490 554 E N 0.121 120.309 120.200 -0.020 0.000 2.408 554 E HA 0.180 4.530 4.350 -0.001 0.000 0.259 554 E C 0.883 177.466 176.600 -0.029 0.000 1.110 554 E CA -0.174 56.214 56.400 -0.020 0.000 0.929 554 E CB 0.574 30.262 29.700 -0.019 0.000 0.971 554 E HN 0.553 nan 8.360 nan 0.000 0.438 555 L N 2.428 123.634 121.223 -0.027 0.000 2.265 555 L HA -0.104 4.235 4.340 -0.001 0.000 0.215 555 L C 0.761 177.599 176.870 -0.053 0.000 1.117 555 L CA 1.797 56.610 54.840 -0.044 0.000 0.782 555 L CB -0.091 41.950 42.059 -0.030 0.000 0.914 555 L HN 0.549 nan 8.230 nan 0.000 0.441 556 D N -0.705 119.670 120.400 -0.041 0.000 2.349 556 D HA -0.037 4.602 4.640 -0.001 0.000 0.224 556 D C 0.919 177.192 176.300 -0.045 0.000 1.029 556 D CA 0.327 54.301 54.000 -0.043 0.000 0.879 556 D CB -0.007 40.772 40.800 -0.036 0.000 0.906 556 D HN 0.412 nan 8.370 nan 0.000 0.528 557 N N 0.051 118.725 118.700 -0.044 0.000 2.205 557 N HA 0.025 4.765 4.740 -0.001 0.000 0.201 557 N C 0.238 175.723 175.510 -0.041 0.000 1.128 557 N CA 0.068 53.093 53.050 -0.041 0.000 0.867 557 N CB 1.606 40.073 38.487 -0.033 0.000 0.996 557 N HN 0.097 nan 8.380 nan 0.000 0.503 558 V N -2.120 117.763 119.914 -0.051 0.000 3.113 558 V HA 0.661 4.780 4.120 -0.001 0.000 0.316 558 V C -0.375 175.684 176.094 -0.058 0.000 1.125 558 V CA -0.980 61.290 62.300 -0.051 0.000 1.026 558 V CB 2.447 34.227 31.823 -0.072 0.000 1.080 558 V HN -0.185 nan 8.190 nan 0.000 0.444 559 M N 2.845 122.426 119.600 -0.032 0.000 2.085 559 M HA 0.585 5.065 4.480 -0.001 0.000 0.309 559 M C -1.019 175.248 176.300 -0.056 0.000 0.947 559 M CA -0.134 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 2.354 122.852 120.570 -0.121 0.000 2.428 560 I HA 0.370 4.540 4.170 -0.001 0.000 0.296 560 I C 0.586 176.641 176.117 -0.104 0.000 0.985 560 I CA -0.681 60.512 61.300 -0.179 0.000 1.260 560 I CB 1.799 39.600 38.000 -0.333 0.000 1.389 560 I HN 0.604 nan 8.210 nan 0.000 0.484 561 T N 0.296 114.784 114.554 -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 1.465 70.165 68.868 -0.281 0.000 0.923 561 T HN 0.372 nan 8.240 nan 0.000 0.468 562 D N 2.169 122.648 120.400 0.132 0.000 2.274 562 D HA 0.204 4.844 4.640 -0.001 0.000 0.239 562 D C -0.087 176.337 176.300 0.207 0.000 1.104 562 D CA -0.421 53.698 54.000 0.198 0.000 0.840 562 D CB 0.931 41.869 40.800 0.230 0.000 1.100 562 D HN 0.454 nan 8.370 nan 0.000 0.477 563 E N 3.262 123.566 120.200 0.172 0.000 2.360 563 E HA 0.062 4.411 4.350 -0.001 0.000 0.253 563 E C 0.072 176.690 176.600 0.031 0.000 1.189 563 E CA -0.045 56.434 56.400 0.132 0.000 1.252 563 E CB 0.329 30.112 29.700 0.139 0.000 1.408 563 E HN 0.651 nan 8.360 nan 0.000 0.464 564 E N -0.356 119.846 120.200 0.003 0.000 2.501 564 E HA 0.098 4.448 4.350 -0.001 0.000 0.200 564 E C 0.302 176.869 176.600 -0.054 0.000 1.016 564 E CA 0.036 56.377 56.400 -0.097 0.000 0.921 564 E CB 0.297 29.904 29.700 -0.156 0.000 1.034 564 E HN -0.002 nan 8.360 nan 0.000 0.468 565 E N 1.083 121.263 120.200 -0.032 0.000 2.340 565 E HA 0.082 4.431 4.350 -0.001 0.000 0.194 565 E C 1.704 178.277 176.600 -0.045 0.000 0.996 565 E CA 0.413 56.782 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 -1.890 118.665 120.570 -0.024 0.000 3.855 566 I HA 0.249 4.418 4.170 -0.001 0.000 0.327 566 I C 1.037 177.165 176.117 0.019 0.000 1.359 566 I CA -0.125 61.179 61.300 0.006 0.000 1.142 566 I CB 0.113 38.126 38.000 0.022 0.000 1.041 566 I HN -0.128 nan 8.210 nan 0.000 0.403 567 R N 1.491 121.988 120.500 -0.006 0.000 2.249 567 R HA -0.093 4.247 4.340 -0.001 0.000 0.230 567 R C 1.997 178.300 176.300 0.005 0.000 1.121 567 R CA 1.911 58.003 56.100 -0.013 0.000 0.997 567 R CB -0.363 29.916 30.300 -0.035 0.000 0.867 567 R HN 0.655 nan 8.270 nan 0.000 0.465 568 T N -3.818 110.751 114.554 0.024 0.000 3.057 568 T HA 0.017 4.367 4.350 -0.001 0.000 0.254 568 T C 1.681 176.387 174.700 0.009 0.000 1.094 568 T CA 0.941 63.053 62.100 0.020 0.000 1.088 568 T CB 0.377 69.270 68.868 0.042 0.000 0.934 568 T HN 0.267 nan 8.240 nan 0.000 0.497 569 T N -1.595 112.981 114.554 0.036 0.000 2.964 569 T HA 0.316 4.665 4.350 -0.001 0.000 0.250 569 T C 0.323 175.079 174.700 0.093 0.000 0.982 569 T CA -0.475 61.653 62.100 0.047 0.000 0.959 569 T CB -0.251 68.651 68.868 0.057 0.000 1.141 569 T HN 0.339 nan 8.240 nan 0.000 0.494 570 N N 2.179 120.928 118.700 0.082 0.000 2.319 570 N HA 0.608 5.348 4.740 -0.001 0.000 0.305 570 N C -3.103 172.439 175.510 0.054 0.000 1.103 570 N CA -1.899 51.206 53.050 0.091 0.000 0.815 570 N CB 1.780 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 0.559 32.334 31.700 0.125 0.000 0.949 572 V N 1.384 121.309 119.914 0.018 0.000 2.614 572 V HA 0.184 4.303 4.120 -0.001 0.000 0.291 572 V C 1.636 177.750 176.094 0.034 0.000 1.049 572 V CA 0.439 62.751 62.300 0.019 0.000 1.038 572 V CB 0.234 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 3.795 126.640 122.820 0.043 0.000 1.902 573 A HA -0.147 4.173 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 2.319 54.383 52.037 0.044 0.000 0.623 573 A CB -0.709 18.326 19.000 0.058 0.000 0.818 573 A HN 1.007 nan 8.150 nan 0.000 0.443 574 T N -2.561 111.995 114.554 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 -0.161 68.683 68.868 -0.040 0.000 0.895 574 T HN 0.379 nan 8.240 nan 0.000 0.480 575 E N 2.393 122.574 120.200 -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 0.477 30.155 29.700 -0.036 0.000 1.057 575 E HN 0.758 nan 8.360 nan 0.000 0.479 576 Q N -0.329 119.459 119.800 -0.020 0.000 2.700 576 Q HA -0.013 4.326 4.340 -0.001 0.000 0.191 576 Q C 0.656 176.691 176.000 0.059 0.000 1.134 576 Q CA 0.043 55.852 55.803 0.010 0.000 1.193 576 Q CB 0.163 28.899 28.738 -0.004 0.000 1.250 576 Q HN 0.622 nan 8.270 nan 0.000 0.670 577 Y N -1.290 118.985 120.300 -0.041 0.000 2.351 577 Y HA 0.411 4.961 4.550 -0.001 0.000 0.291 577 Y C 0.635 176.520 175.900 -0.024 0.000 1.153 577 Y CA 1.152 59.234 58.100 -0.030 0.000 1.193 577 Y CB 0.832 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 -1.193 107.636 108.800 0.048 0.000 2.588 578 G HA2 0.399 4.359 3.960 -0.001 0.000 0.281 578 G HA3 0.399 4.359 3.960 -0.001 0.000 0.281 578 G C -1.456 173.465 174.900 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 0.178 114.748 114.554 0.027 0.000 2.879 579 T HA 0.613 4.963 4.350 -0.001 0.000 0.290 579 T C -0.853 173.867 174.700 0.034 0.000 0.993 579 T CA -0.229 61.885 62.100 0.022 0.000 0.975 579 T CB 1.658 70.526 68.868 -0.001 0.000 0.981 579 T HN 0.615 nan 8.240 nan 0.000 0.439 580 V N 2.168 122.101 119.914 0.031 0.000 2.628 580 V HA 0.851 4.971 4.120 -0.001 0.000 0.306 580 V C 0.348 176.452 176.094 0.016 0.000 1.045 580 V CA -1.202 61.114 62.300 0.028 0.000 0.905 580 V CB 1.728 33.568 31.823 0.028 0.000 0.997 580 V HN 1.063 nan 8.190 nan 0.000 0.436 581 A N 3.163 125.992 122.820 0.015 0.000 2.322 581 A HA 0.677 4.996 4.320 -0.001 0.000 0.269 581 A C 0.423 178.012 177.584 0.008 0.000 1.094 581 A CA -0.381 51.662 52.037 0.011 0.000 0.807 581 A CB 0.180 19.187 19.000 0.013 0.000 1.047 581 A HN 1.060 nan 8.150 nan 0.000 0.487 582 N N 1.141 119.844 118.700 0.005 0.000 2.604 582 N HA 0.122 4.862 4.740 -0.001 0.000 0.284 582 N C -1.201 174.310 175.510 0.003 0.000 1.716 582 N CA -0.420 52.632 53.050 0.003 0.000 0.859 582 N CB 0.112 38.599 38.487 0.001 0.000 1.403 582 N HN 0.740 nan 8.380 nan 0.000 0.501 583 N N -0.208 118.494 118.700 0.004 0.000 3.355 583 N HA 0.202 4.942 4.740 -0.001 0.000 0.238 583 N C -1.730 173.784 175.510 0.006 0.000 1.466 583 N CA -0.583 52.469 53.050 0.004 0.000 0.882 583 N CB 0.720 39.208 38.487 0.002 0.000 1.406 583 N HN 0.048 nan 8.380 nan 0.000 0.500 584 L N 1.405 122.631 121.223 0.005 0.000 2.417 584 L HA 0.273 4.613 4.340 -0.001 0.000 0.258 584 L C 0.119 176.993 176.870 0.006 0.000 1.088 584 L CA -0.851 53.993 54.840 0.007 0.000 0.975 584 L CB 0.507 42.570 42.059 0.007 0.000 1.341 584 L HN 0.601 nan 8.230 nan 0.000 0.431 585 Q N 2.010 121.814 119.800 0.006 0.000 2.349 585 Q HA 0.407 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 1.138 29.879 28.738 0.004 0.000 1.242 585 Q HN 0.558 nan 8.270 nan 0.000 0.405 586 S N 0.471 116.172 115.700 0.002 0.000 2.757 586 S HA 0.429 4.899 4.470 -0.001 0.000 0.285 586 S C 0.448 175.048 174.600 -0.000 0.000 1.196 586 S CA -0.308 57.893 58.200 0.002 0.000 0.856 586 S CB 0.324 63.525 63.200 0.003 0.000 1.212 586 S HN 0.858 nan 8.310 nan 0.000 0.516 587 S N 1.227 116.926 115.700 -0.001 0.000 2.399 587 S HA -0.092 4.378 4.470 -0.001 0.000 0.231 587 S C 1.254 175.853 174.600 -0.002 0.000 1.022 587 S CA 1.108 59.307 58.200 -0.002 0.000 0.983 587 S CB -0.874 62.324 63.200 -0.002 0.000 0.803 587 S HN 0.646 nan 8.310 nan 0.000 0.480 588 N N 1.537 120.236 118.700 -0.001 0.000 2.300 588 N HA 0.043 4.783 4.740 -0.001 0.000 0.179 588 N C -0.054 175.455 175.510 -0.002 0.000 1.016 588 N CA 0.926 53.975 53.050 -0.001 0.000 0.876 588 N CB -0.136 38.351 38.487 -0.001 0.000 0.979 588 N HN 0.424 nan 8.380 nan 0.000 0.432 589 T N 0.416 114.969 114.554 -0.001 0.000 2.807 589 T HA 0.616 4.965 4.350 -0.001 0.000 0.279 589 T C -0.342 174.357 174.700 -0.002 0.000 0.993 589 T CA -0.807 61.293 62.100 -0.001 0.000 0.970 589 T CB 2.416 71.284 68.868 -0.000 0.000 0.950 589 T HN 0.104 nan 8.240 nan 0.000 0.441 590 A N 4.944 127.763 122.820 -0.003 0.000 2.328 590 A HA 0.624 4.943 4.320 -0.001 0.000 0.284 590 A C -2.156 175.426 177.584 -0.002 0.000 1.160 590 A CA -1.661 50.374 52.037 -0.003 0.000 0.818 590 A CB -0.261 18.737 19.000 -0.004 0.000 1.087 590 A HN 0.578 nan 8.150 nan 0.000 0.504 591 P HA 0.077 nan 4.420 nan 0.000 0.261 591 P C -0.318 176.981 177.300 -0.001 0.000 1.183 591 P CA 0.555 63.655 63.100 -0.000 0.000 0.761 591 P CB 0.274 31.974 31.700 0.001 0.000 0.785 592 T N 2.563 117.117 114.554 -0.001 0.000 2.867 592 T HA 0.409 4.758 4.350 -0.001 0.000 0.282 592 T C 0.177 174.876 174.700 -0.001 0.000 1.000 592 T CA -0.223 61.876 62.100 -0.002 0.000 1.042 592 T CB 0.957 69.824 68.868 -0.003 0.000 0.973 592 T HN 0.235 nan 8.240 nan 0.000 0.465 593 T N 3.354 117.906 114.554 -0.004 0.000 2.824 593 T HA 0.527 4.877 4.350 -0.001 0.000 0.282 593 T C -0.469 174.228 174.700 -0.005 0.000 0.993 593 T CA -0.761 61.338 62.100 -0.003 0.000 0.967 593 T CB 1.115 69.980 68.868 -0.005 0.000 0.960 593 T HN 0.281 nan 8.240 nan 0.000 0.441 594 R N 2.289 122.788 120.500 -0.002 0.000 2.480 594 R HA 0.390 4.729 4.340 -0.001 0.000 0.306 594 R C -0.839 175.462 176.300 0.001 0.000 0.958 594 R CA -0.473 55.624 56.100 -0.004 0.000 0.861 594 R CB 1.459 31.757 30.300 -0.004 0.000 1.171 594 R HN 0.601 nan 8.270 nan 0.000 0.445 595 T N 3.377 117.928 114.554 -0.005 0.000 2.779 595 T HA 0.067 4.417 4.350 -0.001 0.000 0.296 595 T C -0.173 174.530 174.700 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 5.845 125.780 119.914 0.036 0.000 2.408 596 V HA 0.272 4.392 4.120 -0.001 0.000 0.267 596 V C 0.602 176.716 176.094 0.033 0.000 1.047 596 V CA -0.343 61.978 62.300 0.034 0.000 0.937 596 V CB 0.459 32.327 31.823 0.075 0.000 0.999 596 V HN 0.834 nan 8.190 nan 0.000 0.472 597 N N 4.463 123.143 118.700 -0.034 0.000 2.254 597 N HA 0.149 4.889 4.740 -0.001 0.000 0.190 597 N C -0.418 175.014 175.510 -0.130 0.000 1.107 597 N CA 0.155 53.164 53.050 -0.067 0.000 0.869 597 N CB 0.616 39.042 38.487 -0.102 0.000 0.983 597 N HN 0.787 nan 8.380 nan 0.000 0.487 598 D N 0.651 120.964 120.400 -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 -0.255 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 0.096 175.918 176.000 -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 29.800 28.738 -1.020 0.000 1.247 599 Q HN 0.530 nan 8.270 nan 0.000 0.455 600 G N 1.995 110.660 108.800 -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 44.923 45.100 -0.218 0.000 1.058 600 G HN 0.793 nan 8.290 nan 0.000 0.552 601 A N -1.268 121.405 122.820 -0.245 0.000 2.306 601 A HA 0.746 5.066 4.320 -0.001 0.000 0.314 601 A C -0.605 176.949 177.584 -0.050 0.000 1.164 601 A CA -0.404 51.519 52.037 -0.189 0.000 0.822 601 A CB 0.787 19.593 19.000 -0.322 0.000 1.130 601 A HN 0.512 nan 8.150 nan 0.000 0.496 602 L N 2.101 123.352 121.223 0.046 0.000 2.422 602 L HA 0.413 4.753 4.340 -0.001 0.000 0.264 602 L C -2.534 174.434 176.870 0.163 0.000 0.984 602 L CA -2.017 52.877 54.840 0.089 0.000 0.819 602 L CB 2.672 44.780 42.059 0.082 0.000 1.330 602 L HN 0.438 nan 8.230 nan 0.000 0.410 603 P HA 0.169 nan 4.420 nan 0.000 0.262 603 P C 0.680 178.103 177.300 0.204 0.000 1.199 603 P CA 0.678 63.882 63.100 0.174 0.000 0.763 603 P CB 0.724 32.502 31.700 0.130 0.000 0.790 604 G N 2.479 111.445 108.800 0.276 0.000 2.253 604 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.209 604 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.209 604 G C 0.223 175.361 174.900 0.397 0.000 0.997 604 G CA -0.529 44.803 45.100 0.388 0.000 0.640 604 G HN 0.437 nan 8.290 nan 0.000 0.496 605 M N 1.503 121.299 119.600 0.327 0.000 2.239 605 M HA 0.478 4.957 4.480 -0.001 0.000 0.348 605 M C 0.697 177.216 176.300 0.365 0.000 1.239 605 M CA 0.214 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 1.208 121.303 119.914 0.302 0.000 2.962 606 V HA 0.949 5.069 4.120 -0.001 0.000 0.313 606 V C -1.531 174.745 176.094 0.304 0.000 1.099 606 V CA -0.653 61.711 62.300 0.106 0.000 0.971 606 V CB 1.859 33.580 31.823 -0.170 0.000 1.028 606 V HN 1.125 nan 8.190 nan 0.000 0.430 607 W N 1.510 122.770 121.300 -0.067 0.000 2.959 607 W HA 0.852 5.512 4.660 -0.001 0.000 0.358 607 W C -1.297 175.195 176.519 -0.045 0.000 1.228 607 W CA -0.763 56.554 57.345 -0.047 0.000 1.183 607 W CB 1.388 30.827 29.460 -0.036 0.000 1.467 607 W HN 0.783 nan 8.180 nan 0.000 0.578 608 Q N 1.171 121.094 119.800 0.204 0.000 2.297 608 Q HA 0.456 4.795 4.340 -0.001 0.000 0.269 608 Q C -1.083 175.038 176.000 0.202 0.000 1.051 608 Q CA -0.318 55.526 55.803 0.069 0.000 0.869 608 Q CB 1.722 30.466 28.738 0.009 0.000 1.346 608 Q HN 0.379 nan 8.270 nan 0.000 0.457 609 D N 0.126 120.584 120.400 0.096 0.000 2.440 609 D HA 0.365 5.005 4.640 -0.001 0.000 0.258 609 D C -0.462 175.907 176.300 0.114 0.000 1.092 609 D CA -0.513 53.587 54.000 0.168 0.000 1.016 609 D CB 0.850 41.756 40.800 0.177 0.000 1.141 609 D HN 0.349 nan 8.370 nan 0.000 0.552 610 R N 0.562 121.153 120.500 0.150 0.000 2.679 610 R HA 0.076 4.416 4.340 -0.001 0.000 0.268 610 R C -0.133 176.259 176.300 0.152 0.000 1.044 610 R CA 0.069 56.258 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 0.450 120.904 120.400 0.090 0.000 2.371 611 D HA 0.171 4.811 4.640 -0.001 0.000 0.242 611 D C -0.638 175.499 176.300 -0.272 0.000 1.218 611 D CA -0.191 53.783 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 -0.453 0.000 2.715 612 V HA 0.616 4.735 4.120 -0.001 0.000 0.310 612 V C -1.145 174.667 176.094 -0.470 0.000 1.054 612 V CA -0.726 61.343 62.300 -0.385 0.000 0.928 612 V CB 1.100 32.691 31.823 -0.387 0.000 1.007 612 V HN 0.456 nan 8.190 nan 0.000 0.437 613 Y N 2.332 122.700 120.300 0.114 0.000 2.509 613 Y HA 0.576 5.126 4.550 -0.001 0.000 0.341 613 Y C 0.814 176.474 175.900 -0.400 0.000 1.038 613 Y CA -0.907 57.198 58.100 0.008 0.000 1.089 613 Y CB 1.791 40.311 38.460 0.101 0.000 1.241 613 Y HN 0.627 nan 8.280 nan 0.000 0.468 614 L N 1.600 122.370 121.223 -0.755 0.000 2.151 614 L HA -0.253 4.087 4.340 -0.001 0.000 0.215 614 L C 1.722 178.338 176.870 -0.424 0.000 1.084 614 L CA 2.071 56.094 54.840 -1.361 0.000 0.764 614 L CB -0.394 40.935 42.059 -1.217 0.000 0.891 614 L HN 0.821 nan 8.230 nan 0.000 0.435 615 Q N -1.208 118.467 119.800 -0.209 0.000 2.175 615 Q HA 0.317 4.656 4.340 -0.001 0.000 0.225 615 Q C 0.591 176.603 176.000 0.020 0.000 0.837 615 Q CA 0.349 56.168 55.803 0.027 0.000 1.032 615 Q CB -0.326 28.346 28.738 -0.110 0.000 1.137 615 Q HN 0.377 nan 8.270 nan 0.000 0.483 616 G N 2.045 110.982 108.800 0.228 0.000 2.522 616 G HA2 0.517 4.476 3.960 -0.001 0.000 0.304 616 G HA3 0.517 4.476 3.960 -0.001 0.000 0.304 616 G C -2.776 172.346 174.900 0.371 0.000 1.210 616 G CA -1.409 43.975 45.100 0.473 0.000 0.960 616 G HN 0.075 nan 8.290 nan 0.000 0.497 617 P HA 0.226 nan 4.420 nan 0.000 0.272 617 P C 0.457 177.802 177.300 0.075 0.000 1.223 617 P CA -0.237 62.907 63.100 0.073 0.000 0.784 617 P CB 1.131 32.870 31.700 0.065 0.000 0.923 618 I N -0.509 119.942 120.570 -0.197 0.000 2.726 618 I HA 0.168 4.337 4.170 -0.001 0.000 0.243 618 I C 0.727 177.080 176.117 0.394 0.000 1.082 618 I CA 0.633 61.884 61.300 -0.082 0.000 1.447 618 I CB -0.380 37.561 38.000 -0.098 0.000 1.250 618 I HN 0.436 nan 8.210 nan 0.000 0.453 619 W N 1.059 122.512 121.300 0.256 0.000 3.207 619 W HA 0.823 5.483 4.660 -0.001 0.000 0.326 619 W C -1.184 175.467 176.519 0.219 0.000 1.190 619 W CA -1.203 56.321 57.345 0.298 0.000 1.011 619 W CB 0.818 30.477 29.460 0.332 0.000 1.511 619 W HN -0.035 nan 8.180 nan 0.000 0.606 620 A N 1.333 124.449 122.820 0.492 0.000 2.555 620 A HA 0.465 4.785 4.320 -0.001 0.000 0.297 620 A C -1.412 176.345 177.584 0.287 0.000 1.060 620 A CA -1.116 51.122 52.037 0.334 0.000 0.710 620 A CB 1.389 20.501 19.000 0.185 0.000 1.282 620 A HN 0.724 nan 8.150 nan 0.000 0.399 621 K N 2.300 122.825 120.400 0.209 0.000 2.412 621 K HA 0.388 4.708 4.320 -0.001 0.000 0.281 621 K C -0.655 175.912 176.600 -0.055 0.000 1.027 621 K CA -0.048 56.183 56.287 -0.094 0.000 0.989 621 K CB 0.146 32.404 32.500 -0.404 0.000 0.935 621 K HN 0.578 nan 8.250 nan 0.000 0.475 622 I N 7.754 128.240 120.570 -0.142 0.000 2.379 622 I HA 0.114 4.284 4.170 -0.001 0.000 0.290 622 I C -1.859 174.177 176.117 -0.134 0.000 1.063 622 I CA -2.284 58.922 61.300 -0.157 0.000 1.351 622 I CB 0.935 38.761 38.000 -0.289 0.000 1.410 622 I HN 0.521 nan 8.210 nan 0.000 0.505 623 P HA -0.110 nan 4.420 nan 0.000 0.262 623 P C -0.516 176.858 177.300 0.124 0.000 1.182 623 P CA 0.182 63.320 63.100 0.064 0.000 0.761 623 P CB 0.194 31.955 31.700 0.103 0.000 0.795 624 H N 2.471 121.562 119.070 0.036 0.000 3.216 624 H HA 0.239 4.795 4.556 -0.001 0.000 0.263 624 H C 0.272 175.654 175.328 0.090 0.000 1.601 624 H CA 0.084 56.168 56.048 0.060 0.000 1.509 624 H CB -0.504 29.262 29.762 0.007 0.000 1.759 624 H HN 0.333 nan 8.280 nan 0.000 0.533 625 T N -0.460 114.109 114.554 0.025 0.000 2.905 625 T HA 0.151 4.501 4.350 -0.001 0.000 0.283 625 T C 0.929 175.489 174.700 -0.234 0.000 1.031 625 T CA -0.937 61.129 62.100 -0.057 0.000 1.002 625 T CB 1.293 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 0.457 120.747 120.400 -0.183 0.000 2.224 626 D HA 0.193 4.832 4.640 -0.001 0.000 0.205 626 D C 0.919 177.034 176.300 -0.308 0.000 0.965 626 D CA 1.095 54.980 54.000 -0.191 0.000 0.852 626 D CB -0.221 40.521 40.800 -0.097 0.000 0.947 626 D HN 0.812 nan 8.370 nan 0.000 0.494 627 G N -0.721 107.829 108.800 -0.416 0.000 2.682 627 G HA2 0.536 4.496 3.960 -0.001 0.000 0.300 627 G HA3 0.536 4.496 3.960 -0.001 0.000 0.300 627 G C -1.108 173.448 174.900 -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 0.967 120.060 119.070 0.039 0.000 2.949 628 H HA 0.553 5.109 4.556 -0.001 0.000 0.356 628 H C -0.678 174.752 175.328 0.171 0.000 1.212 628 H CA -0.651 55.440 56.048 0.071 0.000 1.136 628 H CB 2.360 32.136 29.762 0.023 0.000 1.869 628 H HN 0.419 nan 8.280 nan 0.000 0.556 629 F N 0.100 120.153 119.950 0.172 0.000 2.376 629 F HA 0.174 4.701 4.527 -0.001 0.000 0.234 629 F C 0.507 176.451 175.800 0.240 0.000 1.010 629 F CA 0.371 58.471 58.000 0.167 0.000 1.100 629 F CB 0.437 39.511 39.000 0.123 0.000 1.360 629 F HN 0.474 nan 8.300 nan 0.000 0.649 630 H N 2.178 121.268 119.070 0.033 0.000 2.643 630 H HA 0.314 4.869 4.556 -0.001 0.000 0.259 630 H C -2.127 173.263 175.328 0.104 0.000 1.298 630 H CA -1.884 54.158 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 -0.054 nan 4.420 nan 0.000 0.279 631 P C 0.100 177.394 177.300 -0.009 0.000 1.451 631 P CA 0.284 63.364 63.100 -0.035 0.000 0.783 631 P CB -0.231 31.382 31.700 -0.146 0.000 1.490 632 S N 1.555 117.286 115.700 0.052 0.000 2.499 632 S HA 0.321 4.791 4.470 -0.001 0.000 0.275 632 S C -2.288 172.391 174.600 0.132 0.000 1.257 632 S CA -1.702 56.562 58.200 0.105 0.000 1.050 632 S CB -0.187 63.129 63.200 0.194 0.000 0.937 632 S HN -0.057 nan 8.310 nan 0.000 0.490 633 P HA 0.031 nan 4.420 nan 0.000 0.262 633 P C 0.595 177.967 177.300 0.121 0.000 1.182 633 P CA 0.127 63.297 63.100 0.116 0.000 0.761 633 P CB 0.337 32.113 31.700 0.126 0.000 0.795 634 L N 2.246 123.535 121.223 0.110 0.000 2.201 634 L HA -0.092 4.248 4.340 -0.001 0.000 0.212 634 L C 2.017 178.956 176.870 0.115 0.000 1.105 634 L CA 1.363 56.269 54.840 0.111 0.000 0.775 634 L CB -0.474 41.637 42.059 0.087 0.000 0.913 634 L HN 0.472 nan 8.230 nan 0.000 0.440 635 M N -0.521 119.144 119.600 0.109 0.000 2.659 635 M HA 0.152 4.632 4.480 -0.001 0.000 0.243 635 M C 0.813 177.204 176.300 0.153 0.000 1.111 635 M CA 0.492 55.863 55.300 0.118 0.000 1.070 635 M CB -0.188 32.467 32.600 0.092 0.000 1.525 635 M HN 0.329 nan 8.290 nan 0.000 0.517 636 G N -0.203 108.680 108.800 0.139 0.000 2.619 636 G HA2 0.278 4.238 3.960 -0.001 0.000 0.686 636 G HA3 0.278 4.238 3.960 -0.001 0.000 0.686 636 G C -0.274 174.684 174.900 0.097 0.000 1.256 636 G CA -0.575 44.600 45.100 0.125 0.000 0.826 636 G HN 0.776 nan 8.290 nan 0.000 0.619 637 G N -1.027 107.767 108.800 -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 -0.446 174.331 174.900 -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 1.824 121.932 119.950 0.263 0.000 2.411 638 F HA 0.586 5.113 4.527 -0.001 0.000 0.352 638 F C 1.099 177.036 175.800 0.228 0.000 1.123 638 F CA 0.168 58.303 58.000 0.226 0.000 1.044 638 F CB 2.069 41.214 39.000 0.242 0.000 1.135 638 F HN 0.734 nan 8.300 nan 0.000 0.461 639 G N 4.877 113.844 108.800 0.278 0.000 2.320 639 G HA2 0.611 4.571 3.960 -0.001 0.000 0.300 639 G HA3 0.611 4.571 3.960 -0.001 0.000 0.300 639 G C -1.018 173.953 174.900 0.119 0.000 1.126 639 G CA -0.516 44.685 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 53.726 54.840 0.001 0.000 0.820 640 L CB 2.335 44.421 42.059 0.046 0.000 1.270 640 L HN 0.434 nan 8.230 nan 0.000 0.415 641 K N 0.923 121.182 120.400 -0.235 0.000 2.057 641 K HA -0.030 4.289 4.320 -0.001 0.000 0.207 641 K C 0.280 176.382 176.600 -0.831 0.000 1.049 641 K CA 1.296 57.289 56.287 -0.490 0.000 0.931 641 K CB 0.063 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 0.267 119.168 119.070 -0.281 0.000 2.569 642 H HA 0.297 4.853 4.556 -0.001 0.000 0.247 642 H C -2.456 172.796 175.328 -0.127 0.000 1.346 642 H CA -2.122 53.702 56.048 -0.374 0.000 1.502 642 H CB 1.172 30.889 29.762 -0.075 0.000 1.512 642 H HN 0.029 nan 8.280 nan 0.000 0.502 643 P HA 0.155 nan 4.420 nan 0.000 0.276 643 P C -2.599 174.440 177.300 -0.435 0.000 1.261 643 P CA -1.877 61.046 63.100 -0.294 0.000 0.800 643 P CB 0.023 31.560 31.700 -0.272 0.000 1.066 644 P HA 0.023 nan 4.420 nan 0.000 0.258 644 P C -2.099 175.028 177.300 -0.287 0.000 1.172 644 P CA -0.270 62.108 63.100 -1.203 0.000 0.762 644 P CB -1.124 29.906 31.700 -1.117 0.000 0.764 645 P HA 0.031 nan 4.420 nan 0.000 0.272 645 P C -0.485 176.735 177.300 -0.134 0.000 1.240 645 P CA -0.037 63.015 63.100 -0.080 0.000 0.791 645 P CB 0.718 32.271 31.700 -0.245 0.000 0.978 646 Q N 0.626 120.324 119.800 -0.170 0.000 2.286 646 Q HA 0.332 4.671 4.340 -0.001 0.000 0.257 646 Q C -0.454 175.238 176.000 -0.515 0.000 0.941 646 Q CA -0.285 55.324 55.803 -0.323 0.000 0.912 646 Q CB 0.218 28.713 28.738 -0.406 0.000 1.192 646 Q HN 0.329 nan 8.270 nan 0.000 0.410 647 I N 3.035 123.337 120.570 -0.448 0.000 2.337 647 I HA 0.184 4.354 4.170 -0.001 0.000 0.285 647 I C -0.508 175.376 176.117 -0.388 0.000 1.041 647 I CA -0.208 60.775 61.300 -0.529 0.000 1.199 647 I CB 0.615 38.258 38.000 -0.595 0.000 1.370 647 I HN 0.478 nan 8.210 nan 0.000 0.470 648 M N 6.585 125.759 119.600 -0.710 0.000 2.250 648 M HA 0.550 5.030 4.480 -0.001 0.000 0.344 648 M C -0.647 175.636 176.300 -0.029 0.000 1.150 648 M CA -0.247 54.771 55.300 -0.470 0.000 1.147 648 M CB 1.202 33.170 32.600 -1.053 0.000 1.498 648 M HN 0.508 nan 8.290 nan 0.000 0.461 649 I N 3.114 123.833 120.570 0.250 0.000 2.722 649 I HA 0.682 4.851 4.170 -0.001 0.000 0.292 649 I C -1.832 174.284 176.117 -0.001 0.000 1.267 649 I CA -0.294 61.086 61.300 0.132 0.000 1.036 649 I CB 1.635 39.623 38.000 -0.019 0.000 1.281 649 I HN 0.679 nan 8.210 nan 0.000 0.423 650 K N 3.972 124.225 120.400 -0.245 0.000 2.578 650 K HA 0.559 4.878 4.320 -0.001 0.000 0.269 650 K C -1.904 174.521 176.600 -0.292 0.000 0.941 650 K CA -0.666 55.372 56.287 -0.415 0.000 0.847 650 K CB 0.709 32.586 32.500 -1.039 0.000 1.397 650 K HN 0.347 nan 8.250 nan 0.000 0.422 651 N N 1.305 119.908 118.700 -0.161 0.000 2.475 651 N HA 0.154 4.894 4.740 -0.001 0.000 0.267 651 N C -0.742 174.683 175.510 -0.142 0.000 1.169 651 N CA -0.213 52.786 53.050 -0.085 0.000 0.947 651 N CB 0.915 39.403 38.487 0.001 0.000 1.061 651 N HN 0.683 nan 8.380 nan 0.000 0.466 652 T N 3.656 118.127 114.554 -0.139 0.000 2.888 652 T HA 0.146 4.496 4.350 -0.001 0.000 0.301 652 T C -2.177 172.361 174.700 -0.269 0.000 1.001 652 T CA -0.696 61.294 62.100 -0.184 0.000 1.147 652 T CB 0.293 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 0.346 31.437 31.700 -1.015 0.000 0.799 654 V N 7.064 126.927 119.914 -0.085 0.000 2.304 654 V HA 0.265 4.385 4.120 -0.001 0.000 0.278 654 V C -2.107 174.159 176.094 0.286 0.000 1.018 654 V CA -2.100 60.250 62.300 0.084 0.000 0.814 654 V CB 1.352 33.210 31.823 0.058 0.000 1.021 654 V HN 0.460 nan 8.190 nan 0.000 0.440 655 P HA 0.210 nan 4.420 nan 0.000 0.266 655 P C 0.003 177.361 177.300 0.098 0.000 1.195 655 P CA 0.416 63.514 63.100 -0.002 0.000 0.768 655 P CB 0.773 32.170 31.700 -0.505 0.000 0.838 656 A N 3.111 126.035 122.820 0.174 0.000 2.450 656 A HA 0.251 4.571 4.320 -0.001 0.000 0.281 656 A C 0.103 177.784 177.584 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 1.067 119.827 118.700 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 -0.433 52.668 53.050 0.084 0.000 0.860 657 N CB 0.073 38.586 38.487 0.043 0.000 1.095 657 N HN 0.333 nan 8.380 nan 0.000 0.487 658 P HA 0.345 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 0.411 32.248 31.700 0.229 0.000 1.068 659 P HA 0.180 nan 4.420 nan 0.000 0.275 659 P C 0.608 177.934 177.300 0.043 0.000 1.227 659 P CA -0.057 63.047 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 -0.672 113.903 114.554 0.036 0.000 2.977 660 T HA -0.056 4.293 4.350 -0.001 0.000 0.271 660 T C 0.955 175.692 174.700 0.062 0.000 1.105 660 T CA 1.308 63.436 62.100 0.047 0.000 1.116 660 T CB -0.193 68.694 68.868 0.033 0.000 0.878 660 T HN 0.476 nan 8.240 nan 0.000 0.509 661 T N 0.980 115.568 114.554 0.056 0.000 2.902 661 T HA 0.474 4.824 4.350 -0.001 0.000 0.283 661 T C -0.908 173.861 174.700 0.114 0.000 1.009 661 T CA -0.969 61.178 62.100 0.078 0.000 1.051 661 T CB 0.300 69.192 68.868 0.039 0.000 0.999 661 T HN 0.138 nan 8.240 nan 0.000 0.474 662 F N 4.622 124.579 119.950 0.011 0.000 2.506 662 F HA 0.489 5.016 4.527 -0.001 0.000 0.371 662 F C 0.298 176.104 175.800 0.010 0.000 1.078 662 F CA -0.320 57.691 58.000 0.018 0.000 1.195 662 F CB 0.354 39.367 39.000 0.022 0.000 1.099 662 F HN 0.399 nan 8.300 nan 0.000 0.548 663 S N 7.584 122.894 115.700 -0.649 0.000 2.498 663 S HA 0.503 4.972 4.470 -0.001 0.000 0.317 663 S C -1.683 172.411 174.600 -0.843 0.000 1.090 663 S CA -1.370 56.440 58.200 -0.650 0.000 1.089 663 S CB 1.286 64.293 63.200 -0.322 0.000 0.997 663 S HN 0.559 nan 8.310 nan 0.000 0.470 664 P HA 0.187 nan 4.420 nan 0.000 0.222 664 P C 0.293 177.494 177.300 -0.166 0.000 1.153 664 P CA 0.257 63.117 63.100 -0.399 0.000 0.798 664 P CB -0.110 31.464 31.700 -0.210 0.000 0.796 665 A N 0.871 123.586 122.820 -0.175 0.000 2.586 665 A HA -0.065 4.255 4.320 -0.001 0.000 0.231 665 A C 0.619 178.173 177.584 -0.051 0.000 1.055 665 A CA -0.025 51.952 52.037 -0.101 0.000 0.756 665 A CB -0.418 18.506 19.000 -0.125 0.000 0.988 665 A HN 0.091 nan 8.150 nan 0.000 0.509 666 K N 0.833 121.235 120.400 0.003 0.000 2.524 666 K HA 0.013 4.332 4.320 -0.001 0.000 0.279 666 K C -0.730 175.904 176.600 0.056 0.000 0.993 666 K CA 0.255 56.586 56.287 0.073 0.000 1.030 666 K CB 0.041 32.596 32.500 0.091 0.000 0.891 666 K HN 0.485 nan 8.250 nan 0.000 0.488 667 F N 3.016 122.970 119.950 0.007 0.000 2.467 667 F HA 0.216 4.743 4.527 -0.001 0.000 0.362 667 F C 0.705 176.430 175.800 -0.124 0.000 1.090 667 F CA 0.603 58.548 58.000 -0.092 0.000 1.202 667 F CB 1.180 40.117 39.000 -0.104 0.000 1.113 667 F HN 0.667 nan 8.300 nan 0.000 0.541 668 A N 3.034 125.721 122.820 -0.222 0.000 2.474 668 A HA 0.156 4.476 4.320 -0.001 0.000 0.221 668 A C 0.510 177.980 177.584 -0.189 0.000 1.298 668 A CA 0.080 52.078 52.037 -0.067 0.000 1.008 668 A CB -0.073 18.915 19.000 -0.019 0.000 1.217 668 A HN 0.489 nan 8.150 nan 0.000 0.553 669 S N 0.721 116.180 115.700 -0.402 0.000 2.411 669 S HA 0.640 5.110 4.470 -0.001 0.000 0.304 669 S C -0.976 173.510 174.600 -0.190 0.000 1.098 669 S CA -0.251 57.821 58.200 -0.213 0.000 1.068 669 S CB -0.618 62.450 63.200 -0.219 0.000 1.032 669 S HN 0.201 nan 8.310 nan 0.000 0.511 670 F N 3.366 123.453 119.950 0.228 0.000 2.579 670 F HA 0.554 5.081 4.527 -0.001 0.000 0.324 670 F C 0.417 176.306 175.800 0.148 0.000 1.058 670 F CA -1.194 56.932 58.000 0.209 0.000 0.944 670 F CB 1.308 40.462 39.000 0.257 0.000 1.245 670 F HN 0.296 nan 8.300 nan 0.000 0.477 671 I N 1.792 122.568 120.570 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 -0.392 61.034 61.300 0.209 0.000 1.375 671 I CB 0.926 39.015 38.000 0.148 0.000 1.407 671 I HN 0.593 nan 8.210 nan 0.000 0.516 672 T N 4.397 119.040 114.554 0.149 0.000 2.834 672 T HA 0.406 4.756 4.350 -0.001 0.000 0.298 672 T C -0.367 174.399 174.700 0.111 0.000 0.966 672 T CA -0.601 61.567 62.100 0.114 0.000 1.141 672 T CB 0.907 69.820 68.868 0.074 0.000 0.905 672 T HN 0.745 nan 8.240 nan 0.000 0.535 673 Q N 2.055 121.922 119.800 0.112 0.000 2.527 673 Q HA 0.540 4.880 4.340 -0.001 0.000 0.280 673 Q C -1.707 174.383 176.000 0.151 0.000 0.977 673 Q CA -1.346 54.531 55.803 0.124 0.000 0.837 673 Q CB 1.235 30.004 28.738 0.053 0.000 1.454 673 Q HN 0.868 nan 8.270 nan 0.000 0.387 674 Y N -1.020 119.261 120.300 -0.033 0.000 2.633 674 Y HA 0.890 5.440 4.550 -0.001 0.000 0.339 674 Y C -0.791 175.099 175.900 -0.017 0.000 1.045 674 Y CA -0.719 57.355 58.100 -0.042 0.000 1.098 674 Y CB 1.978 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 0.341 116.022 115.700 -0.032 0.000 2.599 675 S HA 0.813 5.283 4.470 -0.001 0.000 0.294 675 S C -0.875 173.666 174.600 -0.098 0.000 1.094 675 S CA -0.451 57.691 58.200 -0.096 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 -0.312 113.998 114.554 -0.407 0.000 2.932 676 T HA 0.762 5.112 4.350 -0.001 0.000 0.318 676 T C -0.324 173.675 174.700 -1.168 0.000 1.265 676 T CA 0.237 61.832 62.100 -0.842 0.000 1.036 676 T CB 1.032 69.640 68.868 -0.433 0.000 1.209 676 T HN 1.687 nan 8.240 nan 0.000 0.484 677 G N 2.125 109.773 108.800 -1.919 0.000 2.489 677 G HA2 0.551 4.511 3.960 -0.001 0.000 0.305 677 G HA3 0.551 4.511 3.960 -0.001 0.000 0.305 677 G C -1.988 172.222 174.900 -1.150 0.000 1.311 677 G CA -0.668 43.729 45.100 -1.172 0.000 0.813 677 G HN 0.746 nan 8.290 nan 0.000 0.480 678 Q N -1.269 118.190 119.800 -0.568 0.000 2.215 678 Q HA 0.733 5.072 4.340 -0.001 0.000 0.256 678 Q C -0.585 175.221 176.000 -0.323 0.000 0.972 678 Q CA -0.706 54.813 55.803 -0.474 0.000 0.889 678 Q CB 2.397 30.732 28.738 -0.673 0.000 1.281 678 Q HN 0.784 nan 8.270 nan 0.000 0.456 679 V N 0.301 120.155 119.914 -0.100 0.000 2.709 679 V HA 0.798 4.918 4.120 -0.001 0.000 0.308 679 V C -1.410 174.592 176.094 -0.153 0.000 1.062 679 V CA -0.290 61.912 62.300 -0.163 0.000 0.901 679 V CB 2.265 34.098 31.823 0.015 0.000 1.003 679 V HN 0.696 nan 8.190 nan 0.000 0.425 680 S N 4.147 119.762 115.700 -0.142 0.000 2.526 680 S HA 0.877 5.347 4.470 -0.001 0.000 0.293 680 S C -1.414 173.053 174.600 -0.222 0.000 1.092 680 S CA -0.469 57.676 58.200 -0.092 0.000 0.980 680 S CB 1.709 64.972 63.200 0.105 0.000 1.048 680 S HN 0.851 nan 8.310 nan 0.000 0.483 681 V N 4.375 124.190 119.914 -0.165 0.000 2.524 681 V HA 0.477 4.596 4.120 -0.001 0.000 0.297 681 V C -0.495 175.549 176.094 -0.083 0.000 1.035 681 V CA -0.663 61.538 62.300 -0.165 0.000 0.867 681 V CB 1.590 33.212 31.823 -0.336 0.000 1.004 681 V HN 0.897 nan 8.190 nan 0.000 0.426 682 E N 5.346 125.498 120.200 -0.080 0.000 2.145 682 E HA 0.664 5.014 4.350 -0.001 0.000 0.270 682 E C -1.457 175.091 176.600 -0.087 0.000 0.906 682 E CA -0.508 55.848 56.400 -0.073 0.000 0.761 682 E CB 1.463 31.101 29.700 -0.104 0.000 1.116 682 E HN 0.658 nan 8.360 nan 0.000 0.408 683 I N 3.394 123.901 120.570 -0.104 0.000 2.509 683 I HA 0.284 4.453 4.170 -0.001 0.000 0.293 683 I C -0.241 175.668 176.117 -0.347 0.000 1.020 683 I CA -0.818 60.320 61.300 -0.270 0.000 1.088 683 I CB 2.083 39.811 38.000 -0.453 0.000 1.267 683 I HN 0.538 nan 8.210 nan 0.000 0.430 684 E N 5.386 125.332 120.200 -0.424 0.000 2.175 684 E HA 0.353 4.703 4.350 -0.001 0.000 0.278 684 E C -1.945 174.386 176.600 -0.449 0.000 0.969 684 E CA -0.616 55.609 56.400 -0.292 0.000 0.796 684 E CB 1.200 30.799 29.700 -0.169 0.000 1.104 684 E HN 0.392 nan 8.360 nan 0.000 0.395 685 W N 2.885 124.141 121.300 -0.073 0.000 2.587 685 W HA 0.305 4.965 4.660 -0.001 0.000 0.324 685 W C -0.090 176.467 176.519 0.063 0.000 1.040 685 W CA -0.756 56.593 57.345 0.006 0.000 1.222 685 W CB 1.206 30.726 29.460 0.101 0.000 1.381 685 W HN 0.462 nan 8.180 nan 0.000 0.483 686 E N 3.353 123.733 120.200 0.301 0.000 2.227 686 E HA 0.463 4.812 4.350 -0.001 0.000 0.282 686 E C -0.987 175.960 176.600 0.577 0.000 1.015 686 E CA -0.400 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 3.679 125.179 121.223 0.462 0.000 2.325 687 L HA 0.361 4.700 4.340 -0.001 0.000 0.278 687 L C -0.060 176.920 176.870 0.184 0.000 1.023 687 L CA -0.741 54.345 54.840 0.409 0.000 0.811 687 L CB 1.671 43.905 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 -0.819 175.111 176.000 -0.117 0.000 0.980 688 Q CA -0.780 54.824 55.803 -0.332 0.000 0.887 688 Q CB 1.117 29.417 28.738 -0.730 0.000 1.221 688 Q HN 0.341 nan 8.270 nan 0.000 0.458 689 K N 2.331 122.637 120.400 -0.156 0.000 2.258 689 K HA 0.065 4.385 4.320 -0.001 0.000 0.264 689 K C -0.160 176.145 176.600 -0.492 0.000 1.007 689 K CA -0.088 56.069 56.287 -0.217 0.000 0.941 689 K CB 0.927 33.321 32.500 -0.177 0.000 0.966 689 K HN 0.674 nan 8.250 nan 0.000 0.480 690 E N 2.219 122.036 120.200 -0.639 0.000 2.316 690 E HA -0.032 4.317 4.350 -0.001 0.000 0.275 690 E C -0.880 175.117 176.600 -1.004 0.000 1.029 690 E CA -0.007 55.603 56.400 -1.316 0.000 0.871 690 E CB 0.448 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 -1.922 173.468 175.510 -0.199 0.000 1.408 691 N CA -0.282 52.483 53.050 -0.476 0.000 0.780 691 N CB 0.962 39.277 38.487 -0.285 0.000 1.191 691 N HN 0.203 nan 8.380 nan 0.000 0.511 692 S N 1.036 116.644 115.700 -0.153 0.000 2.503 692 S HA 0.462 4.932 4.470 -0.001 0.000 0.301 692 S C 0.173 174.802 174.600 0.048 0.000 1.087 692 S CA -0.591 57.658 58.200 0.081 0.000 1.042 692 S CB 0.700 64.027 63.200 0.210 0.000 1.043 692 S HN 0.302 nan 8.310 nan 0.000 0.489 693 K N 2.154 122.609 120.400 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 -0.062 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 0.988 121.569 120.500 0.135 0.000 2.502 694 R HA -0.110 4.230 4.340 -0.001 0.000 0.292 694 R C 1.070 177.470 176.300 0.168 0.000 0.998 694 R CA 0.247 56.440 56.100 0.154 0.000 1.056 694 R CB 0.038 30.421 30.300 0.138 0.000 0.939 694 R HN 0.287 nan 8.270 nan 0.000 0.411 695 W N 5.813 127.131 121.300 0.031 0.000 2.441 695 W HA -0.076 4.584 4.660 -0.001 0.000 0.302 695 W C -0.256 176.276 176.519 0.022 0.000 1.191 695 W CA 0.948 58.306 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 0.747 nan 8.180 nan 0.000 0.522 696 N N 1.948 120.762 118.700 0.190 0.000 2.503 696 N HA 0.147 4.886 4.740 -0.001 0.000 0.267 696 N C -2.739 172.778 175.510 0.011 0.000 1.214 696 N CA -1.298 51.802 53.050 0.084 0.000 0.959 696 N CB -0.392 38.190 38.487 0.160 0.000 1.142 696 N HN -0.133 nan 8.380 nan 0.000 0.455 697 P HA 0.059 nan 4.420 nan 0.000 0.267 697 P C -0.243 177.078 177.300 0.035 0.000 1.200 697 P CA 0.313 63.407 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 1.213 121.443 120.200 0.050 0.000 2.254 698 E HA 0.381 4.731 4.350 -0.001 0.000 0.261 698 E C 0.236 176.892 176.600 0.094 0.000 1.051 698 E CA -1.054 55.396 56.400 0.084 0.000 0.902 698 E CB 0.919 30.689 29.700 0.117 0.000 1.168 698 E HN 0.440 nan 8.360 nan 0.000 0.423 699 I N -0.956 119.682 120.570 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 -0.366 61.020 61.300 0.143 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 4.869 124.828 119.800 0.265 0.000 2.387 700 Q HA 0.307 4.646 4.340 -0.001 0.000 0.273 700 Q C -1.344 174.842 176.000 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 0.832 121.086 120.300 -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 58.906 58.100 -0.070 0.000 1.331 701 Y CB 0.971 39.168 38.460 -0.438 0.000 1.253 701 Y HN 0.620 nan 8.280 nan 0.000 0.529 702 T N 3.607 117.794 114.554 -0.610 0.000 2.840 702 T HA 0.444 4.794 4.350 -0.001 0.000 0.317 702 T C -1.223 173.237 174.700 -0.399 0.000 1.401 702 T CA -0.746 61.178 62.100 -0.294 0.000 1.028 702 T CB 0.844 69.659 68.868 -0.088 0.000 1.317 702 T HN 0.625 nan 8.240 nan 0.000 0.495 703 S N 1.858 117.505 115.700 -0.088 0.000 2.632 703 S HA 0.408 4.877 4.470 -0.001 0.000 0.271 703 S C 0.053 174.673 174.600 0.034 0.000 1.260 703 S CA -0.700 57.502 58.200 0.002 0.000 1.010 703 S CB 0.284 63.551 63.200 0.112 0.000 0.965 703 S HN 0.732 nan 8.310 nan 0.000 0.534 704 N N 1.713 120.429 118.700 0.027 0.000 2.416 704 N HA 0.072 4.812 4.740 -0.001 0.000 0.265 704 N C 0.608 176.129 175.510 0.018 0.000 1.195 704 N CA -0.155 52.902 53.050 0.011 0.000 0.943 704 N CB 0.184 38.637 38.487 -0.056 0.000 1.115 704 N HN 0.738 nan 8.380 nan 0.000 0.481 705 Y N 1.010 121.310 120.300 -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 -0.408 57.696 58.100 0.006 0.000 1.314 705 Y CB -0.235 38.227 38.460 0.003 0.000 0.991 705 Y HN 0.314 nan 8.280 nan 0.000 0.555 706 N N 2.824 121.155 118.700 -0.616 0.000 2.441 706 N HA -0.065 4.675 4.740 -0.001 0.000 0.251 706 N C -0.364 175.026 175.510 -0.200 0.000 1.242 706 N CA 0.000 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 -0.139 0.000 2.437 707 K HA -0.036 4.284 4.320 -0.001 0.000 0.277 707 K C -0.222 176.337 176.600 -0.067 0.000 1.073 707 K CA 0.421 56.667 56.287 -0.069 0.000 1.105 707 K CB 0.168 32.639 32.500 -0.048 0.000 0.881 707 K HN 0.442 nan 8.250 nan 0.000 0.475 708 S N 2.745 118.418 115.700 -0.046 0.000 2.634 708 S HA 0.352 4.821 4.470 -0.001 0.000 0.296 708 S C 0.859 175.442 174.600 -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 2.704 122.598 119.914 -0.033 0.000 2.238 709 V HA 0.023 4.142 4.120 -0.001 0.000 0.235 709 V C 0.720 176.798 176.094 -0.026 0.000 1.037 709 V CA 1.385 63.667 62.300 -0.030 0.000 0.991 709 V CB -0.831 30.970 31.823 -0.036 0.000 0.638 709 V HN 0.824 nan 8.190 nan 0.000 0.457 710 N N -0.745 117.935 118.700 -0.034 0.000 2.466 710 N HA 0.479 5.218 4.740 -0.001 0.000 0.294 710 N C -1.031 174.466 175.510 -0.023 0.000 1.129 710 N CA -0.613 52.417 53.050 -0.033 0.000 0.931 710 N CB 2.062 40.516 38.487 -0.055 0.000 1.193 710 N HN 0.079 nan 8.380 nan 0.000 0.500 711 V N 1.398 121.310 119.914 -0.003 0.000 2.583 711 V HA 0.041 4.160 4.120 -0.001 0.000 0.287 711 V C -0.068 176.043 176.094 0.028 0.000 1.051 711 V CA -0.395 61.923 62.300 0.030 0.000 1.010 711 V CB 0.822 32.682 31.823 0.062 0.000 0.988 711 V HN 0.610 nan 8.190 nan 0.000 0.478 712 D N 4.254 124.695 120.400 0.068 0.000 2.493 712 D HA 0.183 4.823 4.640 -0.001 0.000 0.240 712 D C 0.109 176.543 176.300 0.223 0.000 1.142 712 D CA 0.596 54.637 54.000 0.069 0.000 0.872 712 D CB -0.051 40.875 40.800 0.210 0.000 1.173 712 D HN 0.476 nan 8.370 nan 0.000 0.467 713 F N -0.149 119.763 119.950 -0.064 0.000 2.781 713 F HA -0.263 4.264 4.527 -0.001 0.000 0.350 713 F C 0.322 176.149 175.800 0.046 0.000 1.048 713 F CA 0.344 58.288 58.000 -0.092 0.000 1.134 713 F CB -1.762 37.300 39.000 0.103 0.000 1.440 713 F HN 0.163 nan 8.300 nan 0.000 0.799 714 T N -0.835 113.683 114.554 -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 -0.080 0.000 1.310 714 T CA -0.427 61.715 62.100 0.070 0.000 1.007 714 T CB 2.145 71.049 68.868 0.060 0.000 1.335 714 T HN 0.363 nan 8.240 nan 0.000 0.504 715 V N 0.385 120.256 119.914 -0.071 0.000 2.953 715 V HA 0.705 4.825 4.120 -0.001 0.000 0.304 715 V C 0.038 176.084 176.094 -0.080 0.000 1.073 715 V CA -0.630 61.593 62.300 -0.127 0.000 1.064 715 V CB 0.646 32.369 31.823 -0.168 0.000 1.047 715 V HN 0.989 nan 8.190 nan 0.000 0.478 716 D N 0.999 121.353 120.400 -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 -2.147 112.389 114.554 -0.030 0.000 2.737 717 T HA -0.243 4.107 4.350 -0.001 0.000 0.269 717 T C 0.827 175.518 174.700 -0.015 0.000 1.040 717 T CA 1.668 63.756 62.100 -0.019 0.000 1.142 717 T CB -0.977 67.880 68.868 -0.019 0.000 0.861 717 T HN 0.605 nan 8.240 nan 0.000 0.456 718 N N 0.860 119.548 118.700 -0.019 0.000 2.380 718 N HA 0.440 5.180 4.740 -0.001 0.000 0.255 718 N C 0.689 176.191 175.510 -0.013 0.000 1.158 718 N CA -0.085 52.957 53.050 -0.013 0.000 0.878 718 N CB 0.082 38.561 38.487 -0.013 0.000 1.138 718 N HN 0.576 nan 8.380 nan 0.000 0.509 719 G N 0.020 108.809 108.800 -0.019 0.000 2.381 719 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.281 719 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.281 719 G C -0.760 174.123 174.900 -0.028 0.000 0.984 719 G CA 0.133 45.221 45.100 -0.021 0.000 1.339 719 G HN 0.355 nan 8.290 nan 0.000 0.485 720 V N 2.851 122.733 119.914 -0.054 0.000 2.532 720 V HA 0.366 4.485 4.120 -0.001 0.000 0.294 720 V C -0.040 176.004 176.094 -0.084 0.000 1.036 720 V CA -1.329 60.943 62.300 -0.047 0.000 0.876 720 V CB 1.516 33.316 31.823 -0.040 0.000 1.012 720 V HN 0.609 nan 8.190 nan 0.000 0.432 721 Y N 4.510 124.667 120.300 -0.238 0.000 2.511 721 Y HA 0.493 5.042 4.550 -0.001 0.000 0.332 721 Y C 0.686 176.486 175.900 -0.165 0.000 1.177 721 Y CA 0.307 58.230 58.100 -0.294 0.000 1.422 721 Y CB 1.060 39.279 38.460 -0.401 0.000 1.271 721 Y HN 0.734 nan 8.280 nan 0.000 0.550 722 S N 4.393 119.583 115.700 -0.850 0.000 2.572 722 S HA 0.441 4.911 4.470 -0.001 0.000 0.274 722 S C -1.601 172.498 174.600 -0.834 0.000 1.150 722 S CA -1.190 56.626 58.200 -0.640 0.000 0.944 722 S CB 1.371 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 2.996 122.810 120.200 -0.643 0.000 2.130 723 E HA 0.255 4.604 4.350 -0.001 0.000 0.284 723 E C -1.906 174.290 176.600 -0.674 0.000 1.018 723 E CA -2.087 53.872 56.400 -0.736 0.000 0.817 723 E CB 0.733 30.280 29.700 -0.255 0.000 1.078 723 E HN 0.369 nan 8.360 nan 0.000 0.396 724 P HA -0.168 nan 4.420 nan 0.000 0.214 724 P C -0.011 177.124 177.300 -0.275 0.000 1.162 724 P CA 1.320 64.119 63.100 -0.501 0.000 0.879 724 P CB 0.228 31.634 31.700 -0.490 0.000 0.786 725 R N -2.017 118.364 120.500 -0.198 0.000 2.808 725 R HA 0.588 4.928 4.340 -0.001 0.000 0.272 725 R C -3.217 173.133 176.300 0.083 0.000 0.995 725 R CA -2.368 53.735 56.100 0.006 0.000 0.917 725 R CB 0.432 30.801 30.300 0.114 0.000 1.217 725 R HN -0.230 nan 8.270 nan 0.000 0.471 726 P HA 0.170 nan 4.420 nan 0.000 0.271 726 P C -0.595 176.834 177.300 0.214 0.000 1.216 726 P CA -0.258 62.868 63.100 0.044 0.000 0.771 726 P CB 0.481 32.177 31.700 -0.008 0.000 0.864 727 I N 2.688 123.406 120.570 0.247 0.000 2.339 727 I HA 0.310 4.479 4.170 -0.001 0.000 0.290 727 I C 1.272 177.746 176.117 0.596 0.000 0.994 727 I CA -0.266 61.242 61.300 0.345 0.000 1.191 727 I CB 0.855 38.910 38.000 0.091 0.000 1.343 727 I HN 0.415 nan 8.210 nan 0.000 0.458 728 G N 3.628 112.813 108.800 0.641 0.000 2.468 728 G HA2 0.244 4.203 3.960 -0.001 0.000 0.264 728 G HA3 0.244 4.203 3.960 -0.001 0.000 0.264 728 G C 0.511 175.637 174.900 0.378 0.000 1.460 728 G CA 0.301 45.682 45.100 0.468 0.000 1.060 728 G HN 0.572 nan 8.290 nan 0.000 0.543 729 T N -1.614 113.093 114.554 0.255 0.000 3.073 729 T HA 0.170 4.520 4.350 -0.001 0.000 0.264 729 T C 0.799 175.637 174.700 0.231 0.000 0.893 729 T CA -0.283 61.914 62.100 0.162 0.000 0.863 729 T CB 0.108 69.038 68.868 0.104 0.000 1.247 729 T HN 0.320 nan 8.240 nan 0.000 0.546 730 R N 1.290 121.915 120.500 0.209 0.000 2.825 730 R HA 0.341 4.680 4.340 -0.001 0.000 0.261 730 R C -0.347 176.005 176.300 0.087 0.000 1.341 730 R CA -0.167 55.979 56.100 0.077 0.000 1.353 730 R CB 0.199 30.442 30.300 -0.094 0.000 1.191 730 R HN 0.337 nan 8.270 nan 0.000 0.590 731 Y N 0.219 120.545 120.300 0.044 0.000 2.559 731 Y HA 0.181 4.731 4.550 -0.001 0.000 0.279 731 Y C 0.952 176.903 175.900 0.084 0.000 1.117 731 Y CA 0.018 58.162 58.100 0.073 0.000 1.263 731 Y CB 0.583 39.098 38.460 0.092 0.000 1.230 731 Y HN 0.210 nan 8.280 nan 0.000 0.528 732 L N 0.848 122.236 121.223 0.274 0.000 2.439 732 L HA 0.319 4.659 4.340 -0.001 0.000 0.261 732 L C 0.444 177.389 176.870 0.125 0.000 1.153 732 L CA -0.397 54.615 54.840 0.286 0.000 0.808 732 L CB 0.915 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 -0.021 114.600 114.554 0.112 0.000 2.829 733 T HA 0.553 4.903 4.350 -0.001 0.000 0.280 733 T C -0.512 174.071 174.700 -0.196 0.000 0.999 733 T CA -0.899 61.182 62.100 -0.032 0.000 0.983 733 T CB 2.212 71.108 68.868 0.048 0.000 0.968 733 T HN 0.643 nan 8.240 nan 0.000 0.446 734 R N 2.071 122.373 120.500 -0.330 0.000 2.854 734 R HA 0.511 4.850 4.340 -0.001 0.000 0.271 734 R C -0.884 175.370 176.300 -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 31.073 30.300 -1.041 0.000 1.194 734 R HN 0.761 nan 8.270 nan 0.000 0.476 735 N N 1.033 119.725 118.700 -0.013 0.000 2.463 735 N HA 0.284 5.024 4.740 -0.001 0.000 0.270 735 N C -0.136 175.438 175.510 0.107 0.000 1.205 735 N CA -0.392 52.697 53.050 0.066 0.000 0.974 735 N CB 0.575 39.090 38.487 0.047 0.000 1.197 735 N HN 0.364 nan 8.380 nan 0.000 0.504 736 L N 0.000 121.254 121.223 0.051 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