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 3kie_1_F 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 0.000 174.924 174.900 0.040 0.000 0.946 217 G CA 0.000 45.114 45.100 0.023 0.000 0.502 218 A N 1.709 124.548 122.820 0.033 0.000 2.476 218 A HA 0.808 5.127 4.320 -0.001 0.000 0.280 218 A C -1.073 176.531 177.584 0.032 0.000 1.081 218 A CA -0.540 51.520 52.037 0.038 0.000 0.753 218 A CB 1.563 20.582 19.000 0.032 0.000 1.248 218 A HN 0.515 nan 8.150 nan 0.000 0.424 219 D N 0.549 120.972 120.400 0.038 0.000 2.989 219 D HA 0.694 5.334 4.640 -0.001 0.000 0.284 219 D C 0.673 176.994 176.300 0.034 0.000 1.212 219 D CA 0.280 54.299 54.000 0.033 0.000 1.055 219 D CB 1.318 42.138 40.800 0.033 0.000 1.351 219 D HN 0.676 nan 8.370 nan 0.000 0.611 220 G N -0.707 108.111 108.800 0.031 0.000 2.828 220 G HA2 0.456 4.416 3.960 -0.001 0.000 0.244 220 G HA3 0.456 4.416 3.960 -0.001 0.000 0.244 220 G C 0.812 175.730 174.900 0.030 0.000 1.365 220 G CA -0.217 44.900 45.100 0.028 0.000 1.041 220 G HN 0.203 nan 8.290 nan 0.000 0.560 221 V N 0.474 120.401 119.914 0.023 0.000 2.273 221 V HA 0.109 4.229 4.120 -0.001 0.000 0.242 221 V C 2.376 178.482 176.094 0.020 0.000 1.035 221 V CA 1.856 64.169 62.300 0.021 0.000 1.013 221 V CB -0.664 31.167 31.823 0.014 0.000 0.652 221 V HN 0.731 nan 8.190 nan 0.000 0.452 222 G N 1.185 109.995 108.800 0.017 0.000 3.709 222 G HA2 0.233 4.193 3.960 -0.001 0.000 0.272 222 G HA3 0.233 4.193 3.960 -0.001 0.000 0.272 222 G C -0.120 174.792 174.900 0.020 0.000 1.259 222 G CA 0.011 45.120 45.100 0.015 0.000 1.512 222 G HN 0.426 nan 8.290 nan 0.000 0.625 223 N N 0.147 118.864 118.700 0.027 0.000 2.571 223 N HA 0.215 4.955 4.740 -0.001 0.000 0.286 223 N C -0.037 175.501 175.510 0.047 0.000 1.138 223 N CA -0.525 52.544 53.050 0.031 0.000 0.859 223 N CB 1.335 39.838 38.487 0.027 0.000 1.414 223 N HN 0.067 nan 8.380 nan 0.000 0.529 224 S N 1.655 117.387 115.700 0.053 0.000 2.544 224 S HA 0.034 4.503 4.470 -0.001 0.000 0.290 224 S C 0.883 175.536 174.600 0.088 0.000 1.276 224 S CA -0.104 58.147 58.200 0.084 0.000 1.075 224 S CB 0.378 63.631 63.200 0.089 0.000 0.849 224 S HN 0.562 nan 8.310 nan 0.000 0.494 225 S N 1.738 117.519 115.700 0.134 0.000 2.743 225 S HA 0.542 5.011 4.470 -0.001 0.000 0.230 225 S C 0.717 175.365 174.600 0.080 0.000 0.950 225 S CA -0.276 57.998 58.200 0.123 0.000 0.976 225 S CB -0.722 62.577 63.200 0.165 0.000 0.779 225 S HN 1.527 nan 8.310 nan 0.000 0.487 226 G N 0.296 109.102 108.800 0.010 0.000 2.340 226 G HA2 0.342 4.302 3.960 -0.001 0.000 0.298 226 G HA3 0.342 4.302 3.960 -0.001 0.000 0.298 226 G C -1.803 172.965 174.900 -0.221 0.000 1.498 226 G CA -1.090 43.787 45.100 -0.372 0.000 0.847 226 G HN 0.267 nan 8.290 nan 0.000 0.594 227 N N -0.710 117.809 118.700 -0.302 0.000 2.471 227 N HA 0.427 5.166 4.740 -0.001 0.000 0.288 227 N C -0.779 174.730 175.510 -0.002 0.000 1.220 227 N CA -0.851 52.147 53.050 -0.087 0.000 0.893 227 N CB 1.998 40.386 38.487 -0.164 0.000 1.256 227 N HN 0.536 nan 8.380 nan 0.000 0.534 228 W N 2.787 124.023 121.300 -0.105 0.000 2.365 228 W HA 0.141 4.800 4.660 -0.001 0.000 0.371 228 W C -0.953 175.469 176.519 -0.162 0.000 1.006 228 W CA 0.004 57.342 57.345 -0.012 0.000 1.528 228 W CB -0.285 29.174 29.460 -0.000 0.000 1.497 228 W HN 0.458 nan 8.180 nan 0.000 0.367 229 H N 4.864 123.859 119.070 -0.125 0.000 2.787 229 H HA 0.180 4.736 4.556 -0.001 0.000 0.275 229 H C -0.190 175.022 175.328 -0.193 0.000 1.183 229 H CA -0.033 55.952 56.048 -0.105 0.000 1.290 229 H CB 1.086 30.774 29.762 -0.123 0.000 1.438 229 H HN 0.159 nan 8.280 nan 0.000 0.487 230 C N 4.467 123.770 119.300 0.005 0.000 2.547 230 C HA 0.354 4.814 4.460 -0.001 0.000 0.327 230 C C -0.887 174.148 174.990 0.073 0.000 1.076 230 C CA -0.357 58.662 59.018 0.002 0.000 1.390 230 C CB -0.410 27.346 27.740 0.028 0.000 1.918 230 C HN 0.929 nan 8.230 nan 0.000 0.438 231 D N 2.153 122.575 120.400 0.037 0.000 2.710 231 D HA 0.642 5.282 4.640 -0.001 0.000 0.276 231 D C -1.277 175.016 176.300 -0.011 0.000 1.267 231 D CA 0.158 54.180 54.000 0.037 0.000 0.772 231 D CB 2.110 42.945 40.800 0.059 0.000 1.299 231 D HN 0.627 nan 8.370 nan 0.000 0.421 232 S N 0.813 116.504 115.700 -0.016 0.000 2.603 232 S HA 0.725 5.194 4.470 -0.001 0.000 0.274 232 S C -1.461 173.104 174.600 -0.059 0.000 1.168 232 S CA -0.851 57.289 58.200 -0.100 0.000 0.963 232 S CB 1.719 64.805 63.200 -0.190 0.000 1.078 232 S HN 0.462 nan 8.310 nan 0.000 0.477 233 Q N 1.413 121.151 119.800 -0.104 0.000 2.458 233 Q HA 0.808 5.148 4.340 -0.001 0.000 0.282 233 Q C -1.674 174.267 176.000 -0.098 0.000 1.106 233 Q CA -0.592 55.224 55.803 0.023 0.000 0.814 233 Q CB 0.429 29.211 28.738 0.073 0.000 1.425 233 Q HN 0.761 nan 8.270 nan 0.000 0.437 234 W N 0.338 121.658 121.300 0.033 0.000 2.639 234 W HA 0.573 5.232 4.660 -0.001 0.000 0.347 234 W C -0.012 176.528 176.519 0.035 0.000 1.067 234 W CA -0.782 56.587 57.345 0.040 0.000 1.218 234 W CB 1.105 30.583 29.460 0.031 0.000 1.393 234 W HN 0.451 nan 8.180 nan 0.000 0.557 235 L N 2.772 124.152 121.223 0.262 0.000 2.906 235 L HA 0.234 4.574 4.340 -0.001 0.000 0.255 235 L C 1.665 178.630 176.870 0.159 0.000 1.166 235 L CA 0.903 55.841 54.840 0.163 0.000 0.977 235 L CB -0.745 41.378 42.059 0.106 0.000 1.313 235 L HN 1.013 nan 8.230 nan 0.000 0.549 236 G N 1.077 110.007 108.800 0.216 0.000 2.480 236 G HA2 -0.446 3.514 3.960 -0.001 0.000 0.246 236 G HA3 -0.446 3.514 3.960 -0.001 0.000 0.246 236 G C 0.989 175.972 174.900 0.139 0.000 1.073 236 G CA 1.120 46.307 45.100 0.147 0.000 0.643 236 G HN 0.384 nan 8.290 nan 0.000 0.525 237 D N 0.354 120.837 120.400 0.138 0.000 2.388 237 D HA 0.190 4.829 4.640 -0.001 0.000 0.208 237 D C 1.229 177.633 176.300 0.173 0.000 1.035 237 D CA 1.173 55.250 54.000 0.129 0.000 0.875 237 D CB 0.190 41.045 40.800 0.092 0.000 0.984 237 D HN 0.864 nan 8.370 nan 0.000 0.508 238 R N -1.748 118.864 120.500 0.187 0.000 2.741 238 R HA 0.567 4.906 4.340 -0.001 0.000 0.276 238 R C -2.038 174.350 176.300 0.147 0.000 1.028 238 R CA -0.979 55.236 56.100 0.190 0.000 0.865 238 R CB 1.072 31.454 30.300 0.137 0.000 1.268 238 R HN -0.128 nan 8.270 nan 0.000 0.475 239 V N 1.629 121.596 119.914 0.088 0.000 2.686 239 V HA 0.565 4.684 4.120 -0.001 0.000 0.306 239 V C -1.575 174.488 176.094 -0.052 0.000 1.065 239 V CA -0.878 61.323 62.300 -0.165 0.000 0.894 239 V CB 1.954 33.355 31.823 -0.705 0.000 1.004 239 V HN 0.673 nan 8.190 nan 0.000 0.424 240 I N 5.596 126.082 120.570 -0.140 0.000 2.339 240 I HA 0.505 4.675 4.170 -0.001 0.000 0.290 240 I C 0.444 176.480 176.117 -0.135 0.000 0.994 240 I CA 0.072 61.333 61.300 -0.065 0.000 1.191 240 I CB 2.053 40.013 38.000 -0.066 0.000 1.343 240 I HN 0.783 nan 8.210 nan 0.000 0.458 241 T N 1.453 115.970 114.554 -0.061 0.000 2.756 241 T HA 0.596 4.946 4.350 -0.001 0.000 0.290 241 T C -0.070 174.601 174.700 -0.049 0.000 0.985 241 T CA -0.681 61.337 62.100 -0.137 0.000 0.955 241 T CB 0.520 69.238 68.868 -0.250 0.000 0.930 241 T HN 0.474 nan 8.240 nan 0.000 0.451 242 T N 2.895 117.414 114.554 -0.059 0.000 2.794 242 T HA 0.637 4.987 4.350 -0.001 0.000 0.280 242 T C -0.300 174.374 174.700 -0.043 0.000 0.987 242 T CA -0.737 61.336 62.100 -0.045 0.000 0.993 242 T CB 1.450 70.296 68.868 -0.036 0.000 0.939 242 T HN 0.702 nan 8.240 nan 0.000 0.449 243 S N 1.933 117.596 115.700 -0.061 0.000 2.571 243 S HA 0.685 5.155 4.470 -0.001 0.000 0.284 243 S C -0.935 173.546 174.600 -0.199 0.000 1.128 243 S CA -0.536 57.606 58.200 -0.096 0.000 0.970 243 S CB 1.205 64.383 63.200 -0.037 0.000 1.039 243 S HN 0.665 nan 8.310 nan 0.000 0.485 244 T N 5.322 119.657 114.554 -0.365 0.000 2.881 244 T HA 0.665 5.014 4.350 -0.001 0.000 0.290 244 T C -0.958 173.361 174.700 -0.634 0.000 1.000 244 T CA -0.840 60.884 62.100 -0.628 0.000 0.978 244 T CB 1.090 69.239 68.868 -1.198 0.000 0.997 244 T HN 0.505 nan 8.240 nan 0.000 0.443 245 R N 1.232 121.566 120.500 -0.276 0.000 2.836 245 R HA 0.637 4.977 4.340 -0.001 0.000 0.269 245 R C -0.816 175.618 176.300 0.224 0.000 1.010 245 R CA -0.816 55.352 56.100 0.112 0.000 0.930 245 R CB 1.679 32.189 30.300 0.349 0.000 1.218 245 R HN 0.564 nan 8.270 nan 0.000 0.473 246 T N 2.616 117.359 114.554 0.315 0.000 2.799 246 T HA 0.513 4.863 4.350 -0.001 0.000 0.286 246 T C -0.192 174.464 174.700 -0.074 0.000 0.973 246 T CA -0.624 61.516 62.100 0.067 0.000 1.035 246 T CB 0.659 69.559 68.868 0.054 0.000 0.932 246 T HN 0.455 nan 8.240 nan 0.000 0.469 247 W N 0.674 121.816 121.300 -0.264 0.000 2.799 247 W HA 0.836 5.496 4.660 -0.001 0.000 0.349 247 W C -1.300 174.996 176.519 -0.371 0.000 1.100 247 W CA -1.716 55.195 57.345 -0.723 0.000 1.174 247 W CB 1.391 30.499 29.460 -0.587 0.000 1.427 247 W HN 0.730 nan 8.180 nan 0.000 0.547 248 A N 2.736 125.542 122.820 -0.023 0.000 2.414 248 A HA 0.761 5.080 4.320 -0.001 0.000 0.306 248 A C -2.197 175.508 177.584 0.201 0.000 1.054 248 A CA -0.759 51.341 52.037 0.105 0.000 0.724 248 A CB 1.977 20.961 19.000 -0.027 0.000 1.267 248 A HN 0.674 nan 8.150 nan 0.000 0.418 249 L N 3.681 125.076 121.223 0.286 0.000 2.404 249 L HA 0.689 5.029 4.340 -0.001 0.000 0.272 249 L C -2.681 174.240 176.870 0.085 0.000 0.980 249 L CA -1.588 53.349 54.840 0.162 0.000 0.836 249 L CB 2.122 44.273 42.059 0.153 0.000 1.238 249 L HN 0.443 nan 8.230 nan 0.000 0.408 250 P HA 0.374 nan 4.420 nan 0.000 0.293 250 P C -1.048 176.094 177.300 -0.263 0.000 1.304 250 P CA -0.420 62.540 63.100 -0.234 0.000 0.767 250 P CB 0.540 31.930 31.700 -0.516 0.000 1.247 251 T N 0.614 115.000 114.554 -0.279 0.000 2.762 251 T HA 0.320 4.670 4.350 -0.001 0.000 0.303 251 T C -0.362 174.131 174.700 -0.345 0.000 0.977 251 T CA 0.082 62.006 62.100 -0.293 0.000 0.961 251 T CB -0.846 67.806 68.868 -0.359 0.000 0.944 251 T HN 0.126 nan 8.240 nan 0.000 0.481 252 Y N 2.083 122.278 120.300 -0.175 0.000 2.301 252 Y HA 0.189 4.738 4.550 -0.001 0.000 0.328 252 Y C 1.683 177.498 175.900 -0.143 0.000 1.242 252 Y CA -0.217 57.808 58.100 -0.126 0.000 1.323 252 Y CB 0.412 38.827 38.460 -0.075 0.000 1.266 252 Y HN 0.706 nan 8.280 nan 0.000 0.527 253 N N 1.942 120.697 118.700 0.093 0.000 2.650 253 N HA -0.395 4.345 4.740 -0.001 0.000 0.249 253 N C -0.366 175.137 175.510 -0.012 0.000 1.155 253 N CA 0.770 53.846 53.050 0.042 0.000 0.747 253 N CB -0.598 37.919 38.487 0.051 0.000 1.132 253 N HN 0.766 nan 8.380 nan 0.000 0.564 254 N N 0.172 118.810 118.700 -0.104 0.000 2.714 254 N HA -0.208 4.532 4.740 -0.001 0.000 0.253 254 N C -0.559 174.898 175.510 -0.088 0.000 1.024 254 N CA 2.032 54.999 53.050 -0.138 0.000 0.726 254 N CB -1.745 36.753 38.487 0.018 0.000 0.908 254 N HN 0.721 nan 8.380 nan 0.000 0.542 255 H N -2.727 116.297 119.070 -0.076 0.000 2.861 255 H HA -0.203 4.353 4.556 -0.001 0.000 0.289 255 H C -0.159 175.144 175.328 -0.042 0.000 1.176 255 H CA 1.212 57.165 56.048 -0.159 0.000 1.146 255 H CB -1.138 28.389 29.762 -0.392 0.000 1.330 255 H HN 0.352 nan 8.280 nan 0.000 0.379 256 L N 0.131 121.397 121.223 0.072 0.000 2.401 256 L HA 0.452 4.792 4.340 -0.001 0.000 0.266 256 L C -0.241 176.690 176.870 0.102 0.000 0.991 256 L CA -1.029 53.901 54.840 0.149 0.000 0.818 256 L CB 1.407 43.570 42.059 0.174 0.000 1.321 256 L HN 0.021 nan 8.230 nan 0.000 0.413 257 Y N 2.073 122.525 120.300 0.254 0.000 2.336 257 Y HA 0.324 4.873 4.550 -0.001 0.000 0.335 257 Y C 0.029 176.086 175.900 0.262 0.000 1.046 257 Y CA -0.163 58.124 58.100 0.312 0.000 1.198 257 Y CB 1.017 39.730 38.460 0.422 0.000 1.182 257 Y HN 0.284 nan 8.280 nan 0.000 0.502 258 K N 2.873 123.483 120.400 0.350 0.000 2.270 258 K HA 0.225 4.544 4.320 -0.001 0.000 0.255 258 K C -0.821 175.869 176.600 0.149 0.000 0.936 258 K CA -1.059 55.353 56.287 0.209 0.000 0.809 258 K CB 1.968 34.533 32.500 0.109 0.000 1.131 258 K HN 0.597 nan 8.250 nan 0.000 0.427 259 Q N 5.111 124.919 119.800 0.014 0.000 2.307 259 Q HA 0.195 4.534 4.340 -0.001 0.000 0.261 259 Q C -0.526 175.223 176.000 -0.419 0.000 1.051 259 Q CA -0.334 55.227 55.803 -0.404 0.000 0.911 259 Q CB 0.200 28.743 28.738 -0.325 0.000 1.227 259 Q HN 0.581 nan 8.270 nan 0.000 0.418 260 I N 1.028 121.257 120.570 -0.568 0.000 2.707 260 I HA 0.793 4.962 4.170 -0.001 0.000 0.309 260 I C -0.508 175.251 176.117 -0.598 0.000 1.001 260 I CA -0.727 60.343 61.300 -0.383 0.000 1.129 260 I CB 2.080 39.986 38.000 -0.156 0.000 1.308 260 I HN 0.693 nan 8.210 nan 0.000 0.466 261 S N 1.867 117.257 115.700 -0.517 0.000 2.661 261 S HA 0.469 4.939 4.470 -0.001 0.000 0.268 261 S C -0.559 173.497 174.600 -0.906 0.000 1.162 261 S CA -0.591 57.148 58.200 -0.768 0.000 0.817 261 S CB 0.876 63.938 63.200 -0.231 0.000 1.141 261 S HN 0.994 nan 8.310 nan 0.000 0.477 262 S N 1.146 116.363 115.700 -0.805 0.000 2.576 262 S HA 0.356 4.826 4.470 -0.001 0.000 0.276 262 S C 0.088 174.670 174.600 -0.031 0.000 1.339 262 S CA -0.553 57.508 58.200 -0.232 0.000 1.039 262 S CB 0.292 63.558 63.200 0.109 0.000 0.902 262 S HN 0.769 nan 8.310 nan 0.000 0.516 263 Q N 1.463 121.284 119.800 0.035 0.000 2.349 263 Q HA 0.054 4.394 4.340 -0.001 0.000 0.287 263 Q C -0.355 175.670 176.000 0.042 0.000 1.044 263 Q CA 0.382 56.200 55.803 0.024 0.000 0.918 263 Q CB 0.546 29.295 28.738 0.018 0.000 1.242 263 Q HN 0.827 nan 8.270 nan 0.000 0.405 264 S N 2.504 118.224 115.700 0.033 0.000 2.711 264 S HA 0.211 4.680 4.470 -0.001 0.000 0.335 264 S C 0.682 175.311 174.600 0.049 0.000 1.175 264 S CA 0.422 58.649 58.200 0.045 0.000 1.372 264 S CB -0.742 62.470 63.200 0.020 0.000 1.337 264 S HN 0.812 nan 8.310 nan 0.000 0.572 265 G N 2.019 110.874 108.800 0.091 0.000 2.353 265 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.294 265 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.294 265 G C 0.466 175.370 174.900 0.007 0.000 1.077 265 G CA -0.021 45.118 45.100 0.065 0.000 1.098 265 G HN 0.958 nan 8.290 nan 0.000 0.511 266 A N -1.076 121.723 122.820 -0.035 0.000 2.127 266 A HA 0.818 5.137 4.320 -0.001 0.000 0.204 266 A C 1.084 178.601 177.584 -0.112 0.000 1.243 266 A CA 1.603 53.604 52.037 -0.060 0.000 0.887 266 A CB 0.835 19.809 19.000 -0.044 0.000 0.933 266 A HN 1.559 nan 8.150 nan 0.000 0.479 267 S N -2.000 113.575 115.700 -0.208 0.000 2.552 267 S HA 0.334 4.804 4.470 -0.001 0.000 0.272 267 S C 0.026 174.369 174.600 -0.428 0.000 1.150 267 S CA -0.392 57.658 58.200 -0.250 0.000 0.849 267 S CB 1.259 64.329 63.200 -0.218 0.000 1.113 267 S HN 0.406 nan 8.310 nan 0.000 0.458 268 N N 0.664 119.240 118.700 -0.207 0.000 2.571 268 N HA 0.034 4.774 4.740 -0.001 0.000 0.195 268 N C 0.017 175.568 175.510 0.069 0.000 1.040 268 N CA 0.202 53.240 53.050 -0.019 0.000 0.890 268 N CB 0.129 38.667 38.487 0.085 0.000 1.233 268 N HN 0.511 nan 8.380 nan 0.000 0.435 269 D N 0.651 121.059 120.400 0.013 0.000 2.363 269 D HA 0.030 4.670 4.640 -0.001 0.000 0.226 269 D C -0.018 176.294 176.300 0.021 0.000 1.020 269 D CA 0.632 54.670 54.000 0.064 0.000 0.892 269 D CB -0.200 40.657 40.800 0.094 0.000 0.900 269 D HN 0.408 nan 8.370 nan 0.000 0.531 270 N N -0.600 118.070 118.700 -0.050 0.000 2.200 270 N HA 0.006 4.745 4.740 -0.001 0.000 0.224 270 N C 0.041 175.595 175.510 0.074 0.000 1.179 270 N CA -0.353 52.675 53.050 -0.036 0.000 0.877 270 N CB 0.733 39.150 38.487 -0.116 0.000 1.072 270 N HN 0.070 nan 8.380 nan 0.000 0.519 271 H N 1.119 120.274 119.070 0.141 0.000 2.871 271 H HA 0.044 4.600 4.556 -0.001 0.000 0.355 271 H C -0.422 175.081 175.328 0.292 0.000 1.092 271 H CA 0.677 56.833 56.048 0.180 0.000 1.420 271 H CB 0.367 30.184 29.762 0.092 0.000 1.400 271 H HN 0.259 nan 8.280 nan 0.000 0.604 272 Y N 0.544 120.967 120.300 0.206 0.000 2.702 272 Y HA 0.472 5.022 4.550 -0.001 0.000 0.336 272 Y C -2.269 173.747 175.900 0.193 0.000 1.203 272 Y CA -1.377 56.814 58.100 0.151 0.000 1.072 272 Y CB 1.307 39.811 38.460 0.073 0.000 1.327 272 Y HN 0.403 nan 8.280 nan 0.000 0.456 273 F N 1.276 121.195 119.950 -0.052 0.000 2.588 273 F HA 0.833 5.360 4.527 -0.001 0.000 0.314 273 F C -0.346 175.406 175.800 -0.081 0.000 1.134 273 F CA 0.035 57.916 58.000 -0.199 0.000 0.961 273 F CB 1.970 40.877 39.000 -0.155 0.000 1.239 273 F HN 1.087 nan 8.300 nan 0.000 0.448 274 G N 2.932 111.224 108.800 -0.846 0.000 2.588 274 G HA2 0.491 4.450 3.960 -0.001 0.000 0.281 274 G HA3 0.491 4.450 3.960 -0.001 0.000 0.281 274 G C -2.406 171.862 174.900 -1.054 0.000 1.223 274 G CA -0.580 44.138 45.100 -0.638 0.000 0.871 274 G HN 0.516 nan 8.290 nan 0.000 0.492 275 Y N -0.890 119.043 120.300 -0.612 0.000 2.588 275 Y HA 0.729 5.278 4.550 -0.001 0.000 0.343 275 Y C 0.094 175.842 175.900 -0.254 0.000 1.065 275 Y CA -0.796 57.073 58.100 -0.384 0.000 1.038 275 Y CB 2.604 40.947 38.460 -0.195 0.000 1.297 275 Y HN 0.538 nan 8.280 nan 0.000 0.467 276 S N 1.300 117.075 115.700 0.126 0.000 2.456 276 S HA 0.572 5.042 4.470 -0.001 0.000 0.316 276 S C -0.593 174.134 174.600 0.213 0.000 1.089 276 S CA -0.540 57.727 58.200 0.111 0.000 1.101 276 S CB 0.199 63.433 63.200 0.056 0.000 0.995 276 S HN 0.701 nan 8.310 nan 0.000 0.468 277 T N 2.734 117.422 114.554 0.223 0.000 2.902 277 T HA 0.563 4.913 4.350 -0.001 0.000 0.283 277 T C -2.424 172.288 174.700 0.021 0.000 1.009 277 T CA -2.079 60.096 62.100 0.125 0.000 1.051 277 T CB 1.375 70.554 68.868 0.518 0.000 0.999 277 T HN 0.297 nan 8.240 nan 0.000 0.474 278 P HA 0.146 nan 4.420 nan 0.000 0.242 278 P C -0.691 176.569 177.300 -0.067 0.000 1.197 278 P CA 0.040 63.070 63.100 -0.116 0.000 0.765 278 P CB -0.084 31.463 31.700 -0.255 0.000 0.936 279 W N 0.322 121.606 121.300 -0.026 0.000 2.375 279 W HA 0.560 5.220 4.660 -0.001 0.000 0.336 279 W C 1.072 177.570 176.519 -0.035 0.000 1.160 279 W CA -0.045 57.298 57.345 -0.004 0.000 1.266 279 W CB 0.691 30.140 29.460 -0.017 0.000 1.195 279 W HN -0.189 nan 8.180 nan 0.000 0.599 280 G N 0.568 109.464 108.800 0.159 0.000 2.705 280 G HA2 0.738 4.697 3.960 -0.001 0.000 0.299 280 G HA3 0.738 4.697 3.960 -0.001 0.000 0.299 280 G C -1.970 172.929 174.900 -0.001 0.000 1.315 280 G CA -0.710 44.364 45.100 -0.042 0.000 1.045 280 G HN 0.574 nan 8.290 nan 0.000 0.517 281 Y N -2.924 117.228 120.300 -0.247 0.000 2.624 281 Y HA 0.733 5.282 4.550 -0.001 0.000 0.334 281 Y C -1.789 173.918 175.900 -0.322 0.000 1.155 281 Y CA -2.188 55.755 58.100 -0.262 0.000 1.046 281 Y CB 1.065 39.411 38.460 -0.189 0.000 1.316 281 Y HN 0.395 nan 8.280 nan 0.000 0.457 282 F N 1.550 121.552 119.950 0.087 0.000 2.422 282 F HA 0.566 5.093 4.527 -0.001 0.000 0.333 282 F C -0.265 175.636 175.800 0.168 0.000 1.095 282 F CA -0.078 58.012 58.000 0.149 0.000 1.038 282 F CB 1.696 40.862 39.000 0.277 0.000 1.156 282 F HN 0.636 nan 8.300 nan 0.000 0.483 283 D N 1.716 122.308 120.400 0.320 0.000 2.753 283 D HA 0.446 5.086 4.640 -0.001 0.000 0.224 283 D C -0.884 175.498 176.300 0.136 0.000 1.213 283 D CA -0.516 53.524 54.000 0.067 0.000 0.833 283 D CB 1.292 42.143 40.800 0.085 0.000 1.607 283 D HN 0.288 nan 8.370 nan 0.000 0.463 284 F N 0.606 120.656 119.950 0.167 0.000 2.656 284 F HA 0.386 4.912 4.527 -0.001 0.000 0.363 284 F C 0.302 176.152 175.800 0.082 0.000 1.313 284 F CA -0.813 57.249 58.000 0.103 0.000 1.089 284 F CB -0.975 38.177 39.000 0.254 0.000 1.247 284 F HN 0.279 nan 8.300 nan 0.000 0.509 285 N N 1.838 120.370 118.700 -0.280 0.000 2.581 285 N HA 0.133 4.873 4.740 -0.001 0.000 0.230 285 N C -0.383 174.924 175.510 -0.339 0.000 1.310 285 N CA 0.012 52.701 53.050 -0.601 0.000 0.886 285 N CB 0.183 38.122 38.487 -0.914 0.000 1.205 285 N HN 0.370 nan 8.380 nan 0.000 0.488 286 R N -0.412 119.965 120.500 -0.205 0.000 2.628 286 R HA 0.193 4.532 4.340 -0.001 0.000 0.288 286 R C 0.015 176.190 176.300 -0.209 0.000 0.980 286 R CA -0.655 55.272 56.100 -0.288 0.000 0.891 286 R CB 0.941 30.925 30.300 -0.527 0.000 1.188 286 R HN 0.129 nan 8.270 nan 0.000 0.450 287 F N 1.014 120.960 119.950 -0.007 0.000 2.216 287 F HA -0.184 4.343 4.527 -0.001 0.000 0.300 287 F C 2.316 178.155 175.800 0.065 0.000 1.085 287 F CA 1.700 59.787 58.000 0.146 0.000 1.326 287 F CB -0.071 38.836 39.000 -0.154 0.000 1.027 287 F HN 0.721 nan 8.300 nan 0.000 0.497 288 H N -2.790 116.345 119.070 0.109 0.000 2.561 288 H HA -0.039 4.516 4.556 -0.001 0.000 0.278 288 H C 1.752 177.093 175.328 0.022 0.000 1.014 288 H CA 0.578 56.651 56.048 0.042 0.000 1.211 288 H CB -1.414 28.347 29.762 -0.000 0.000 1.365 288 H HN 0.248 nan 8.280 nan 0.000 0.594 289 C N 0.667 119.826 119.300 -0.236 0.000 2.432 289 C HA -0.033 4.427 4.460 -0.001 0.000 0.280 289 C C 1.847 176.605 174.990 -0.387 0.000 1.353 289 C CA 1.009 59.814 59.018 -0.354 0.000 1.766 289 C CB -0.612 26.754 27.740 -0.624 0.000 1.924 289 C HN 0.799 nan 8.230 nan 0.000 0.509 290 H N -2.785 116.405 119.070 0.199 0.000 2.521 290 H HA 0.243 4.799 4.556 -0.001 0.000 0.267 290 H C 0.127 175.416 175.328 -0.065 0.000 0.963 290 H CA 0.193 56.289 56.048 0.080 0.000 1.175 290 H CB -0.199 29.663 29.762 0.167 0.000 1.450 290 H HN 0.311 nan 8.280 nan 0.000 0.472 291 F N 2.895 122.982 119.950 0.229 0.000 2.394 291 F HA 0.261 4.788 4.527 -0.001 0.000 0.340 291 F C 1.142 177.016 175.800 0.124 0.000 1.105 291 F CA -0.856 57.243 58.000 0.165 0.000 1.124 291 F CB 1.207 40.362 39.000 0.259 0.000 1.145 291 F HN -0.037 nan 8.300 nan 0.000 0.505 292 S N 2.734 118.599 115.700 0.274 0.000 2.632 292 S HA 0.370 4.839 4.470 -0.001 0.000 0.267 292 S C -2.024 172.680 174.600 0.173 0.000 1.276 292 S CA -1.169 57.144 58.200 0.189 0.000 0.998 292 S CB 1.509 64.800 63.200 0.152 0.000 0.953 292 S HN 0.344 nan 8.310 nan 0.000 0.547 293 P HA -0.173 nan 4.420 nan 0.000 0.216 293 P C 1.713 179.005 177.300 -0.013 0.000 1.157 293 P CA 1.305 64.309 63.100 -0.160 0.000 0.880 293 P CB -0.032 31.488 31.700 -0.300 0.000 0.791 294 R N 0.344 120.886 120.500 0.069 0.000 2.070 294 R HA -0.144 4.196 4.340 -0.001 0.000 0.233 294 R C 1.835 178.224 176.300 0.149 0.000 1.137 294 R CA 2.058 58.217 56.100 0.097 0.000 0.945 294 R CB -1.664 28.703 30.300 0.111 0.000 0.845 294 R HN 0.096 nan 8.270 nan 0.000 0.430 295 D N -0.354 120.207 120.400 0.268 0.000 2.116 295 D HA -0.257 4.383 4.640 -0.001 0.000 0.193 295 D C 1.689 178.232 176.300 0.406 0.000 0.998 295 D CA 1.322 55.603 54.000 0.470 0.000 0.836 295 D CB -0.650 40.477 40.800 0.544 0.000 0.951 295 D HN 0.409 nan 8.370 nan 0.000 0.449 296 W N 1.944 123.294 121.300 0.083 0.000 2.325 296 W HA -0.233 4.426 4.660 -0.001 0.000 0.299 296 W C 2.219 178.610 176.519 -0.214 0.000 1.215 296 W CA 1.414 58.661 57.345 -0.164 0.000 1.244 296 W CB -0.087 29.226 29.460 -0.245 0.000 1.140 296 W HN 0.119 nan 8.180 nan 0.000 0.523 297 Q N 0.341 120.109 119.800 -0.054 0.000 2.020 297 Q HA -0.234 4.105 4.340 -0.001 0.000 0.202 297 Q C 2.433 178.306 176.000 -0.213 0.000 0.982 297 Q CA 2.154 57.860 55.803 -0.161 0.000 0.838 297 Q CB -0.276 28.441 28.738 -0.035 0.000 0.899 297 Q HN 0.219 nan 8.270 nan 0.000 0.423 298 R N 0.360 120.751 120.500 -0.181 0.000 2.094 298 R HA -0.190 4.149 4.340 -0.001 0.000 0.239 298 R C 2.529 178.622 176.300 -0.345 0.000 1.137 298 R CA 1.703 57.605 56.100 -0.330 0.000 0.943 298 R CB -0.799 29.157 30.300 -0.574 0.000 0.850 298 R HN 0.354 nan 8.270 nan 0.000 0.433 299 L N 0.811 121.893 121.223 -0.236 0.000 1.971 299 L HA -0.258 4.082 4.340 -0.001 0.000 0.215 299 L C 2.237 178.888 176.870 -0.366 0.000 1.072 299 L CA 1.534 56.233 54.840 -0.235 0.000 0.758 299 L CB -0.287 41.499 42.059 -0.455 0.000 0.889 299 L HN 0.186 nan 8.230 nan 0.000 0.433 300 I N 0.446 120.687 120.570 -0.548 0.000 2.163 300 I HA -0.302 3.867 4.170 -0.001 0.000 0.243 300 I C 1.948 177.938 176.117 -0.211 0.000 1.085 300 I CA 1.526 62.554 61.300 -0.452 0.000 1.347 300 I CB -1.652 35.989 38.000 -0.600 0.000 1.044 300 I HN 0.448 nan 8.210 nan 0.000 0.408 301 N N 1.030 119.597 118.700 -0.222 0.000 2.521 301 N HA -0.057 4.682 4.740 -0.001 0.000 0.188 301 N C 1.071 176.537 175.510 -0.072 0.000 1.146 301 N CA 0.450 53.430 53.050 -0.117 0.000 0.893 301 N CB -0.076 38.332 38.487 -0.132 0.000 0.975 301 N HN 0.468 nan 8.380 nan 0.000 0.451 302 N N -0.281 118.363 118.700 -0.094 0.000 2.266 302 N HA 0.090 4.829 4.740 -0.001 0.000 0.217 302 N C -0.616 174.856 175.510 -0.063 0.000 1.211 302 N CA 0.014 53.002 53.050 -0.105 0.000 0.881 302 N CB 0.785 39.168 38.487 -0.174 0.000 1.153 302 N HN 0.150 nan 8.380 nan 0.000 0.489 303 N N -0.146 118.574 118.700 0.033 0.000 2.342 303 N HA 0.141 4.880 4.740 -0.001 0.000 0.293 303 N C 0.334 176.059 175.510 0.358 0.000 1.026 303 N CA -0.442 52.686 53.050 0.130 0.000 0.857 303 N CB 1.770 40.360 38.487 0.170 0.000 1.256 303 N HN 0.143 nan 8.380 nan 0.000 0.484 304 W N 1.919 123.239 121.300 0.034 0.000 2.321 304 W HA -0.127 4.532 4.660 -0.001 0.000 0.306 304 W C 1.120 177.728 176.519 0.148 0.000 1.217 304 W CA 0.269 57.632 57.345 0.030 0.000 1.257 304 W CB 0.343 29.733 29.460 -0.117 0.000 1.145 304 W HN 0.590 nan 8.180 nan 0.000 0.509 305 G N -1.861 107.194 108.800 0.425 0.000 2.550 305 G HA2 0.468 4.428 3.960 -0.001 0.000 0.293 305 G HA3 0.468 4.428 3.960 -0.001 0.000 0.293 305 G C -1.821 173.534 174.900 0.758 0.000 1.402 305 G CA -0.657 44.733 45.100 0.483 0.000 0.784 305 G HN 0.088 nan 8.290 nan 0.000 0.482 306 F N -1.314 119.078 119.950 0.737 0.000 2.779 306 F HA 0.945 5.472 4.527 -0.001 0.000 0.316 306 F C -0.760 175.287 175.800 0.412 0.000 1.164 306 F CA -1.367 57.008 58.000 0.626 0.000 0.924 306 F CB 1.650 40.880 39.000 0.383 0.000 1.348 306 F HN 0.928 nan 8.300 nan 0.000 0.467 307 R N -0.353 120.348 120.500 0.336 0.000 2.712 307 R HA 0.689 5.029 4.340 -0.001 0.000 0.272 307 R C -3.636 172.588 176.300 -0.127 0.000 1.032 307 R CA -1.933 54.020 56.100 -0.244 0.000 0.874 307 R CB 1.603 31.422 30.300 -0.801 0.000 1.256 307 R HN 0.374 nan 8.270 nan 0.000 0.468 308 P HA 0.314 nan 4.420 nan 0.000 0.278 308 P C -0.732 176.070 177.300 -0.831 0.000 1.238 308 P CA -0.580 61.759 63.100 -1.269 0.000 0.794 308 P CB 1.155 31.526 31.700 -2.215 0.000 0.955 309 K N 0.998 121.086 120.400 -0.520 0.000 2.537 309 K HA 0.281 4.600 4.320 -0.001 0.000 0.216 309 K C 0.400 177.033 176.600 0.055 0.000 1.349 309 K CA 0.754 56.943 56.287 -0.164 0.000 0.841 309 K CB 0.212 32.618 32.500 -0.157 0.000 1.659 309 K HN 0.348 nan 8.250 nan 0.000 0.435 310 K N 0.297 120.683 120.400 -0.022 0.000 2.331 310 K HA 0.552 4.871 4.320 -0.001 0.000 0.238 310 K C -1.224 175.366 176.600 -0.017 0.000 1.058 310 K CA -0.947 55.302 56.287 -0.064 0.000 0.871 310 K CB 1.713 34.138 32.500 -0.125 0.000 1.292 310 K HN -0.086 nan 8.250 nan 0.000 0.470 311 L N -0.352 120.823 121.223 -0.079 0.000 2.513 311 L HA 0.406 4.746 4.340 -0.001 0.000 0.261 311 L C -1.790 175.036 176.870 -0.073 0.000 0.945 311 L CA 0.007 54.829 54.840 -0.030 0.000 0.848 311 L CB 2.480 44.566 42.059 0.045 0.000 1.334 311 L HN 0.513 nan 8.230 nan 0.000 0.407 312 S N 4.375 120.052 115.700 -0.038 0.000 2.779 312 S HA 0.572 5.042 4.470 -0.001 0.000 0.293 312 S C -1.284 173.351 174.600 0.059 0.000 1.150 312 S CA -0.259 57.919 58.200 -0.037 0.000 1.057 312 S CB 0.737 63.877 63.200 -0.100 0.000 1.021 312 S HN 0.472 nan 8.310 nan 0.000 0.485 313 F N 3.670 123.632 119.950 0.020 0.000 2.436 313 F HA 0.660 5.187 4.527 -0.001 0.000 0.340 313 F C -0.139 175.723 175.800 0.102 0.000 1.113 313 F CA -0.403 57.655 58.000 0.097 0.000 1.022 313 F CB 0.817 39.992 39.000 0.291 0.000 1.128 313 F HN 0.385 nan 8.300 nan 0.000 0.466 314 K N 7.233 127.361 120.400 -0.454 0.000 2.513 314 K HA 0.557 4.877 4.320 -0.001 0.000 0.251 314 K C -2.114 174.424 176.600 -0.103 0.000 0.939 314 K CA -0.619 55.593 56.287 -0.126 0.000 0.793 314 K CB 1.498 33.977 32.500 -0.035 0.000 1.241 314 K HN 0.763 nan 8.250 nan 0.000 0.431 315 L N 6.053 127.384 121.223 0.181 0.000 2.341 315 L HA 0.682 5.022 4.340 -0.001 0.000 0.278 315 L C -0.761 176.372 176.870 0.438 0.000 1.005 315 L CA -0.825 54.132 54.840 0.193 0.000 0.818 315 L CB 0.941 43.102 42.059 0.171 0.000 1.259 315 L HN 0.706 nan 8.230 nan 0.000 0.418 316 F N -0.514 119.547 119.950 0.186 0.000 2.985 316 F HA 0.398 4.925 4.527 -0.001 0.000 0.322 316 F C 0.058 175.943 175.800 0.143 0.000 1.187 316 F CA -1.441 56.648 58.000 0.148 0.000 0.910 316 F CB 1.082 40.135 39.000 0.088 0.000 1.411 316 F HN 0.459 nan 8.300 nan 0.000 0.492 317 N N 0.344 119.211 118.700 0.279 0.000 2.716 317 N HA -0.210 4.529 4.740 -0.001 0.000 0.250 317 N C -0.967 174.541 175.510 -0.002 0.000 1.033 317 N CA 0.567 53.689 53.050 0.120 0.000 0.727 317 N CB -1.142 37.407 38.487 0.104 0.000 0.950 317 N HN 0.470 nan 8.380 nan 0.000 0.541 318 I N 1.004 121.616 120.570 0.069 0.000 2.588 318 I HA 0.013 4.183 4.170 -0.001 0.000 0.283 318 I C 0.519 176.634 176.117 -0.004 0.000 1.119 318 I CA 0.483 61.819 61.300 0.060 0.000 1.419 318 I CB 0.669 38.782 38.000 0.189 0.000 1.394 318 I HN 0.143 nan 8.210 nan 0.000 0.562 319 Q N 5.437 125.193 119.800 -0.073 0.000 2.305 319 Q HA 0.511 4.851 4.340 -0.001 0.000 0.271 319 Q C -1.375 174.549 176.000 -0.127 0.000 1.046 319 Q CA -0.771 54.975 55.803 -0.094 0.000 0.798 319 Q CB 3.130 31.791 28.738 -0.128 0.000 1.286 319 Q HN 0.384 nan 8.270 nan 0.000 0.435 320 V N 3.366 123.209 119.914 -0.118 0.000 2.311 320 V HA 0.292 4.412 4.120 -0.001 0.000 0.275 320 V C -0.391 175.553 176.094 -0.250 0.000 1.022 320 V CA -0.707 61.493 62.300 -0.167 0.000 0.830 320 V CB 0.890 32.663 31.823 -0.082 0.000 1.012 320 V HN 0.545 nan 8.190 nan 0.000 0.452 321 K N 4.271 124.373 120.400 -0.496 0.000 2.183 321 K HA 0.496 4.816 4.320 -0.001 0.000 0.274 321 K C -0.118 176.233 176.600 -0.415 0.000 1.009 321 K CA -0.491 55.490 56.287 -0.510 0.000 0.888 321 K CB 2.198 34.258 32.500 -0.735 0.000 1.078 321 K HN 0.861 nan 8.250 nan 0.000 0.459 322 E N 0.522 120.634 120.200 -0.147 0.000 2.166 322 E HA 0.421 4.770 4.350 -0.001 0.000 0.275 322 E C -0.753 175.878 176.600 0.052 0.000 0.941 322 E CA -0.995 55.393 56.400 -0.020 0.000 0.784 322 E CB 1.873 31.572 29.700 -0.002 0.000 1.115 322 E HN 0.122 nan 8.360 nan 0.000 0.399 323 V N 2.764 122.747 119.914 0.114 0.000 2.630 323 V HA 0.750 4.870 4.120 -0.001 0.000 0.305 323 V C -0.908 175.229 176.094 0.071 0.000 1.046 323 V CA -0.016 62.350 62.300 0.111 0.000 0.934 323 V CB 1.924 33.834 31.823 0.145 0.000 1.003 323 V HN 1.001 nan 8.190 nan 0.000 0.451 324 T N 3.067 117.652 114.554 0.052 0.000 2.879 324 T HA 0.587 4.937 4.350 -0.001 0.000 0.290 324 T C -0.946 173.770 174.700 0.028 0.000 0.993 324 T CA -0.733 61.390 62.100 0.039 0.000 0.975 324 T CB 1.574 70.462 68.868 0.034 0.000 0.981 324 T HN 0.583 nan 8.240 nan 0.000 0.439 325 Q N 3.131 122.945 119.800 0.022 0.000 2.441 325 Q HA 0.405 4.744 4.340 -0.001 0.000 0.234 325 Q C 0.841 176.848 176.000 0.012 0.000 1.078 325 Q CA -0.507 55.304 55.803 0.014 0.000 0.907 325 Q CB 0.622 29.365 28.738 0.009 0.000 1.269 325 Q HN 0.547 nan 8.270 nan 0.000 0.502 326 N N 1.382 120.088 118.700 0.011 0.000 2.124 326 N HA -0.068 4.671 4.740 -0.001 0.000 0.189 326 N C 0.123 175.636 175.510 0.006 0.000 1.050 326 N CA 1.214 54.270 53.050 0.009 0.000 0.848 326 N CB 0.353 38.846 38.487 0.009 0.000 1.027 326 N HN 0.451 nan 8.380 nan 0.000 0.435 327 D N -1.370 119.033 120.400 0.004 0.000 3.013 327 D HA 0.206 4.845 4.640 -0.001 0.000 0.256 327 D C 1.021 177.322 176.300 0.001 0.000 1.573 327 D CA 0.612 54.613 54.000 0.002 0.000 1.197 327 D CB -0.373 40.428 40.800 0.002 0.000 1.041 327 D HN 0.275 nan 8.370 nan 0.000 0.304 328 G N -0.094 108.706 108.800 -0.000 0.000 3.969 328 G HA2 0.246 4.205 3.960 -0.001 0.000 0.291 328 G HA3 0.246 4.205 3.960 -0.001 0.000 0.291 328 G C -0.293 174.606 174.900 -0.002 0.000 1.016 328 G CA 0.058 45.157 45.100 -0.002 0.000 0.819 328 G HN 0.219 nan 8.290 nan 0.000 0.493 329 T N 0.661 115.215 114.554 0.000 0.000 2.881 329 T HA 0.504 4.854 4.350 -0.001 0.000 0.291 329 T C -0.152 174.550 174.700 0.004 0.000 0.990 329 T CA -0.293 61.807 62.100 0.001 0.000 0.976 329 T CB 1.089 69.959 68.868 0.002 0.000 0.970 329 T HN 0.107 nan 8.240 nan 0.000 0.438 330 T N 2.747 117.302 114.554 0.003 0.000 2.723 330 T HA 0.511 4.861 4.350 -0.001 0.000 0.297 330 T C 0.477 175.186 174.700 0.015 0.000 0.925 330 T CA -0.774 61.331 62.100 0.008 0.000 1.030 330 T CB 0.222 69.090 68.868 0.000 0.000 0.905 330 T HN 0.728 nan 8.240 nan 0.000 0.502 331 T N 1.901 116.468 114.554 0.022 0.000 2.829 331 T HA 0.691 5.041 4.350 -0.001 0.000 0.282 331 T C -0.062 174.663 174.700 0.042 0.000 0.990 331 T CA -0.958 61.158 62.100 0.026 0.000 1.028 331 T CB 0.576 69.456 68.868 0.020 0.000 0.951 331 T HN 0.636 nan 8.240 nan 0.000 0.460 332 I N 1.984 122.583 120.570 0.048 0.000 2.433 332 I HA 0.731 4.901 4.170 -0.001 0.000 0.292 332 I C 0.218 176.356 176.117 0.034 0.000 1.001 332 I CA -1.046 60.297 61.300 0.071 0.000 1.119 332 I CB 1.678 39.754 38.000 0.126 0.000 1.289 332 I HN 0.954 nan 8.210 nan 0.000 0.438 333 A N 5.123 127.950 122.820 0.012 0.000 2.525 333 A HA 0.665 4.985 4.320 -0.001 0.000 0.291 333 A C -1.220 176.339 177.584 -0.042 0.000 1.268 333 A CA -0.782 51.249 52.037 -0.010 0.000 0.712 333 A CB 1.386 20.384 19.000 -0.002 0.000 1.320 333 A HN 0.620 nan 8.150 nan 0.000 0.456 334 N N 2.009 120.686 118.700 -0.038 0.000 2.422 334 N HA 0.254 4.993 4.740 -0.001 0.000 0.266 334 N C -1.267 174.219 175.510 -0.040 0.000 1.007 334 N CA -0.186 52.833 53.050 -0.052 0.000 0.941 334 N CB 1.247 39.710 38.487 -0.039 0.000 1.115 334 N HN 0.564 nan 8.380 nan 0.000 0.492 335 N N 3.802 122.471 118.700 -0.052 0.000 2.955 335 N HA 0.200 4.940 4.740 -0.001 0.000 0.242 335 N C 1.049 176.543 175.510 -0.028 0.000 1.123 335 N CA -0.267 52.764 53.050 -0.032 0.000 0.949 335 N CB 0.162 38.630 38.487 -0.031 0.000 1.214 335 N HN 0.486 nan 8.380 nan 0.000 0.504 336 L N 0.539 121.752 121.223 -0.018 0.000 2.046 336 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 336 L C 1.999 178.868 176.870 -0.002 0.000 1.077 336 L CA 1.529 56.363 54.840 -0.010 0.000 0.747 336 L CB -0.753 41.304 42.059 -0.004 0.000 0.896 336 L HN 0.505 nan 8.230 nan 0.000 0.432 337 T N -3.969 110.584 114.554 -0.001 0.000 3.227 337 T HA -0.010 4.340 4.350 -0.001 0.000 0.257 337 T C 0.816 175.517 174.700 0.002 0.000 1.162 337 T CA 0.014 62.116 62.100 0.003 0.000 1.051 337 T CB -0.101 68.769 68.868 0.004 0.000 0.953 337 T HN 0.117 nan 8.240 nan 0.000 0.535 338 S N 1.597 117.295 115.700 -0.003 0.000 2.616 338 S HA 0.600 5.069 4.470 -0.001 0.000 0.277 338 S C 0.235 174.837 174.600 0.003 0.000 1.234 338 S CA -0.572 57.624 58.200 -0.006 0.000 1.028 338 S CB 1.067 64.258 63.200 -0.016 0.000 0.988 338 S HN 0.715 nan 8.310 nan 0.000 0.522 339 T N 0.046 114.601 114.554 0.002 0.000 2.926 339 T HA 0.776 5.125 4.350 -0.001 0.000 0.289 339 T C -0.581 174.127 174.700 0.014 0.000 1.054 339 T CA -0.767 61.344 62.100 0.019 0.000 1.015 339 T CB 1.347 70.229 68.868 0.023 0.000 1.167 339 T HN 0.562 nan 8.240 nan 0.000 0.526 340 V N 0.188 120.126 119.914 0.039 0.000 3.040 340 V HA 0.593 4.713 4.120 -0.001 0.000 0.312 340 V C -1.650 174.468 176.094 0.039 0.000 1.115 340 V CA -0.829 61.487 62.300 0.027 0.000 0.998 340 V CB 2.268 34.137 31.823 0.077 0.000 1.042 340 V HN 1.059 nan 8.190 nan 0.000 0.433 341 Q N 3.224 123.032 119.800 0.013 0.000 2.330 341 Q HA 0.735 5.075 4.340 -0.001 0.000 0.269 341 Q C -1.567 174.567 176.000 0.223 0.000 1.022 341 Q CA -0.643 55.232 55.803 0.120 0.000 0.796 341 Q CB 2.536 31.358 28.738 0.140 0.000 1.271 341 Q HN 0.564 nan 8.270 nan 0.000 0.450 342 V N 2.990 123.000 119.914 0.159 0.000 2.823 342 V HA 0.756 4.876 4.120 -0.001 0.000 0.312 342 V C -0.770 175.353 176.094 0.048 0.000 1.072 342 V CA -0.899 61.368 62.300 -0.054 0.000 0.937 342 V CB 1.398 32.862 31.823 -0.598 0.000 1.013 342 V HN 0.778 nan 8.190 nan 0.000 0.430 343 F N 0.311 120.097 119.950 -0.273 0.000 2.703 343 F HA 0.728 5.254 4.527 -0.001 0.000 0.308 343 F C -0.903 174.684 175.800 -0.356 0.000 1.126 343 F CA -0.629 57.231 58.000 -0.234 0.000 0.959 343 F CB 1.852 40.746 39.000 -0.177 0.000 1.297 343 F HN 0.462 nan 8.300 nan 0.000 0.441 344 T N 1.506 115.904 114.554 -0.260 0.000 2.786 344 T HA 0.275 4.625 4.350 -0.001 0.000 0.283 344 T C -1.157 173.338 174.700 -0.343 0.000 0.992 344 T CA -0.383 61.403 62.100 -0.523 0.000 0.954 344 T CB 0.579 69.016 68.868 -0.718 0.000 0.934 344 T HN 0.824 nan 8.240 nan 0.000 0.440 345 D N 3.599 123.712 120.400 -0.479 0.000 2.441 345 D HA 0.221 4.861 4.640 -0.001 0.000 0.243 345 D C 0.821 176.867 176.300 -0.422 0.000 1.257 345 D CA 0.105 53.901 54.000 -0.339 0.000 1.027 345 D CB 0.118 40.675 40.800 -0.405 0.000 1.084 345 D HN 0.449 nan 8.370 nan 0.000 0.514 346 S N 2.296 117.806 115.700 -0.318 0.000 2.503 346 S HA 0.002 4.471 4.470 -0.001 0.000 0.215 346 S C 1.322 175.681 174.600 -0.402 0.000 1.003 346 S CA -0.077 57.885 58.200 -0.397 0.000 0.910 346 S CB 0.209 63.338 63.200 -0.119 0.000 0.790 346 S HN 0.544 nan 8.310 nan 0.000 0.514 347 E N 0.458 120.547 120.200 -0.185 0.000 2.489 347 E HA 0.084 4.434 4.350 -0.001 0.000 0.193 347 E C -0.813 175.838 176.600 0.085 0.000 1.057 347 E CA -0.191 56.197 56.400 -0.020 0.000 0.866 347 E CB -0.124 29.596 29.700 0.033 0.000 0.916 347 E HN 0.545 nan 8.360 nan 0.000 0.500 348 Y N 0.384 120.702 120.300 0.029 0.000 3.078 348 Y HA -0.302 4.248 4.550 -0.001 0.000 0.202 348 Y C 1.057 176.945 175.900 -0.021 0.000 1.322 348 Y CA 0.324 58.426 58.100 0.003 0.000 1.118 348 Y CB -2.264 36.199 38.460 0.004 0.000 1.343 348 Y HN 0.206 nan 8.280 nan 0.000 0.499 349 Q N -0.249 119.592 119.800 0.068 0.000 2.378 349 Q HA 0.266 4.605 4.340 -0.001 0.000 0.216 349 Q C 0.362 176.245 176.000 -0.196 0.000 0.892 349 Q CA 0.091 55.907 55.803 0.022 0.000 0.931 349 Q CB 0.700 29.527 28.738 0.148 0.000 1.086 349 Q HN 0.510 nan 8.270 nan 0.000 0.528 350 L N 2.412 123.484 121.223 -0.251 0.000 2.312 350 L HA 0.354 4.694 4.340 -0.001 0.000 0.281 350 L C -2.208 174.520 176.870 -0.238 0.000 1.070 350 L CA -2.318 52.245 54.840 -0.462 0.000 0.805 350 L CB 0.891 42.615 42.059 -0.558 0.000 1.174 350 L HN -0.167 nan 8.230 nan 0.000 0.434 351 P HA -0.142 nan 4.420 nan 0.000 0.258 351 P C -1.036 176.321 177.300 0.095 0.000 1.172 351 P CA 0.233 63.337 63.100 0.006 0.000 0.762 351 P CB -0.024 31.716 31.700 0.065 0.000 0.764 352 Y N 3.964 124.273 120.300 0.016 0.000 2.531 352 Y HA 0.113 4.663 4.550 -0.001 0.000 0.347 352 Y C 1.293 177.197 175.900 0.007 0.000 1.024 352 Y CA 0.409 58.522 58.100 0.021 0.000 1.306 352 Y CB 0.447 38.940 38.460 0.055 0.000 1.149 352 Y HN 0.155 nan 8.280 nan 0.000 0.527 353 V N 6.994 126.743 119.914 -0.276 0.000 3.621 353 V HA 0.157 4.277 4.120 -0.001 0.000 0.285 353 V C 0.459 176.364 176.094 -0.316 0.000 1.346 353 V CA 0.220 62.364 62.300 -0.259 0.000 1.104 353 V CB -0.470 31.123 31.823 -0.382 0.000 0.913 353 V HN 0.580 nan 8.190 nan 0.000 0.432 354 L N 0.115 121.030 121.223 -0.513 0.000 2.468 354 L HA 0.568 4.908 4.340 -0.001 0.000 0.254 354 L C 1.460 178.285 176.870 -0.076 0.000 1.171 354 L CA 0.515 55.138 54.840 -0.361 0.000 0.809 354 L CB 0.223 41.967 42.059 -0.525 0.000 1.155 354 L HN 0.305 nan 8.230 nan 0.000 0.473 355 G N 0.501 109.235 108.800 -0.110 0.000 2.198 355 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.257 355 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.257 355 G C 0.384 175.291 174.900 0.013 0.000 1.042 355 G CA 0.374 45.433 45.100 -0.067 0.000 0.791 355 G HN 0.537 nan 8.290 nan 0.000 0.502 356 S N -0.548 115.175 115.700 0.038 0.000 2.855 356 S HA 0.587 5.056 4.470 -0.001 0.000 0.249 356 S C 1.455 175.977 174.600 -0.130 0.000 1.033 356 S CA 1.027 59.239 58.200 0.020 0.000 1.038 356 S CB 0.674 63.965 63.200 0.152 0.000 0.960 356 S HN 2.187 nan 8.310 nan 0.000 0.548 357 A N 1.509 124.288 122.820 -0.067 0.000 2.861 357 A HA -0.214 4.105 4.320 -0.001 0.000 0.261 357 A C 0.331 177.862 177.584 -0.089 0.000 1.351 357 A CA 0.882 52.878 52.037 -0.068 0.000 0.904 357 A CB -2.280 16.674 19.000 -0.077 0.000 1.076 357 A HN 0.674 nan 8.150 nan 0.000 0.729 358 H N 0.098 119.163 119.070 -0.008 0.000 2.745 358 H HA 0.297 4.853 4.556 -0.001 0.000 0.373 358 H C 0.945 176.293 175.328 0.034 0.000 1.226 358 H CA 0.858 56.914 56.048 0.014 0.000 1.435 358 H CB 0.364 30.140 29.762 0.024 0.000 1.461 358 H HN 0.741 nan 8.280 nan 0.000 0.616 359 Q N -0.871 119.041 119.800 0.186 0.000 2.180 359 Q HA 0.414 4.754 4.340 -0.001 0.000 0.241 359 Q C 0.582 176.644 176.000 0.103 0.000 0.970 359 Q CA -0.292 55.585 55.803 0.123 0.000 0.919 359 Q CB 1.680 30.480 28.738 0.102 0.000 1.222 359 Q HN 0.971 nan 8.270 nan 0.000 0.482 360 G N -0.494 108.350 108.800 0.072 0.000 2.159 360 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.170 360 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.170 360 G C 0.220 175.096 174.900 -0.040 0.000 1.007 360 G CA -0.372 44.749 45.100 0.035 0.000 0.672 360 G HN 0.608 nan 8.290 nan 0.000 0.507 361 C N 0.263 119.543 119.300 -0.033 0.000 2.827 361 C HA 0.558 5.018 4.460 -0.001 0.000 0.287 361 C C 1.609 176.423 174.990 -0.294 0.000 1.497 361 C CA -0.346 58.615 59.018 -0.095 0.000 2.161 361 C CB -0.326 27.389 27.740 -0.042 0.000 2.120 361 C HN 0.494 nan 8.230 nan 0.000 0.676 362 L N 2.149 123.221 121.223 -0.252 0.000 2.380 362 L HA 0.260 4.599 4.340 -0.001 0.000 0.273 362 L C -2.115 174.720 176.870 -0.057 0.000 1.138 362 L CA -1.239 53.395 54.840 -0.343 0.000 0.832 362 L CB 0.028 41.988 42.059 -0.165 0.000 1.124 362 L HN 0.391 nan 8.230 nan 0.000 0.454 363 P HA 0.038 nan 4.420 nan 0.000 0.265 363 P C -2.062 175.337 177.300 0.166 0.000 1.193 363 P CA -0.902 62.285 63.100 0.146 0.000 0.765 363 P CB 0.209 32.028 31.700 0.198 0.000 0.823 364 P HA -0.140 nan 4.420 nan 0.000 0.215 364 P C 0.256 177.537 177.300 -0.032 0.000 1.157 364 P CA 1.161 64.325 63.100 0.106 0.000 0.868 364 P CB -0.046 31.591 31.700 -0.106 0.000 0.788 365 F N 0.108 119.862 119.950 -0.326 0.000 2.420 365 F HA 0.246 4.773 4.527 -0.001 0.000 0.352 365 F C -1.629 174.124 175.800 -0.078 0.000 1.108 365 F CA -2.867 54.890 58.000 -0.405 0.000 1.162 365 F CB 0.790 39.481 39.000 -0.514 0.000 1.118 365 F HN -0.092 nan 8.300 nan 0.000 0.510 366 P HA -0.158 nan 4.420 nan 0.000 0.218 366 P C 1.023 178.291 177.300 -0.055 0.000 1.148 366 P CA 1.924 64.920 63.100 -0.174 0.000 0.822 366 P CB 0.062 31.652 31.700 -0.182 0.000 0.784 367 A N -1.143 121.486 122.820 -0.319 0.000 2.119 367 A HA -0.057 4.262 4.320 -0.001 0.000 0.217 367 A C 0.759 178.448 177.584 0.175 0.000 1.153 367 A CA 0.770 52.796 52.037 -0.018 0.000 0.692 367 A CB -1.010 18.038 19.000 0.080 0.000 0.799 367 A HN 0.111 nan 8.150 nan 0.000 0.458 368 D N -0.416 120.136 120.400 0.253 0.000 2.345 368 D HA 0.416 5.056 4.640 -0.001 0.000 0.247 368 D C -0.206 176.250 176.300 0.260 0.000 1.108 368 D CA 0.164 54.321 54.000 0.261 0.000 0.894 368 D CB 1.394 42.364 40.800 0.283 0.000 1.203 368 D HN -0.015 nan 8.370 nan 0.000 0.430 369 V N 2.509 122.554 119.914 0.220 0.000 2.612 369 V HA 0.560 4.680 4.120 -0.001 0.000 0.301 369 V C -0.130 176.127 176.094 0.271 0.000 1.046 369 V CA -0.744 61.681 62.300 0.208 0.000 0.946 369 V CB 0.957 32.829 31.823 0.082 0.000 1.003 369 V HN 0.446 nan 8.190 nan 0.000 0.459 370 F N 1.925 121.960 119.950 0.142 0.000 2.593 370 F HA 0.787 5.313 4.527 -0.001 0.000 0.320 370 F C -0.528 175.351 175.800 0.132 0.000 1.060 370 F CA -1.331 56.749 58.000 0.133 0.000 0.940 370 F CB 1.988 41.078 39.000 0.149 0.000 1.268 370 F HN 0.475 nan 8.300 nan 0.000 0.475 371 M N 3.557 123.254 119.600 0.163 0.000 2.209 371 M HA 0.507 4.986 4.480 -0.001 0.000 0.355 371 M C -1.337 175.047 176.300 0.139 0.000 1.171 371 M CA -0.849 54.483 55.300 0.054 0.000 1.069 371 M CB 1.457 34.102 32.600 0.074 0.000 1.622 371 M HN 0.620 nan 8.290 nan 0.000 0.459 372 V N 8.280 128.195 119.914 0.001 0.000 2.439 372 V HA 0.192 4.312 4.120 -0.001 0.000 0.271 372 V C -1.995 174.026 176.094 -0.121 0.000 1.040 372 V CA -1.158 61.085 62.300 -0.095 0.000 1.002 372 V CB 0.150 31.765 31.823 -0.347 0.000 1.000 372 V HN 0.762 nan 8.190 nan 0.000 0.477 373 P HA 0.065 nan 4.420 nan 0.000 0.271 373 P C -0.567 176.336 177.300 -0.662 0.000 1.238 373 P CA -0.163 62.651 63.100 -0.476 0.000 0.794 373 P CB 0.482 31.712 31.700 -0.783 0.000 0.959 374 Q N 0.229 119.645 119.800 -0.640 0.000 2.266 374 Q HA 0.285 4.625 4.340 -0.001 0.000 0.261 374 Q C -1.407 174.598 176.000 0.008 0.000 0.985 374 Q CA -0.827 54.551 55.803 -0.708 0.000 0.873 374 Q CB 0.679 28.700 28.738 -1.196 0.000 1.306 374 Q HN 0.361 nan 8.270 nan 0.000 0.447 375 Y N 1.367 121.677 120.300 0.017 0.000 2.336 375 Y HA 0.553 5.103 4.550 -0.001 0.000 0.335 375 Y C -0.291 175.651 175.900 0.069 0.000 1.046 375 Y CA 0.254 58.406 58.100 0.086 0.000 1.198 375 Y CB 1.150 39.662 38.460 0.087 0.000 1.182 375 Y HN 0.625 nan 8.280 nan 0.000 0.502 376 G N 5.814 114.313 108.800 -0.501 0.000 2.731 376 G HA2 0.491 4.451 3.960 -0.001 0.000 0.298 376 G HA3 0.491 4.451 3.960 -0.001 0.000 0.298 376 G C -2.243 172.405 174.900 -0.419 0.000 1.424 376 G CA -0.802 44.092 45.100 -0.345 0.000 1.029 376 G HN 0.741 nan 8.290 nan 0.000 0.518 377 Y N -0.105 120.012 120.300 -0.306 0.000 2.605 377 Y HA 0.839 5.389 4.550 -0.001 0.000 0.343 377 Y C -0.925 175.001 175.900 0.043 0.000 1.036 377 Y CA -1.636 56.363 58.100 -0.169 0.000 1.065 377 Y CB 1.590 39.992 38.460 -0.097 0.000 1.288 377 Y HN 0.459 nan 8.280 nan 0.000 0.481 378 L N 1.394 122.735 121.223 0.197 0.000 2.304 378 L HA 0.838 5.178 4.340 -0.001 0.000 0.268 378 L C -0.442 176.621 176.870 0.323 0.000 1.010 378 L CA -0.744 54.208 54.840 0.186 0.000 0.813 378 L CB 2.480 44.642 42.059 0.172 0.000 1.315 378 L HN 0.938 nan 8.230 nan 0.000 0.445 379 T N 0.007 114.745 114.554 0.306 0.000 2.812 379 T HA 0.356 4.706 4.350 -0.001 0.000 0.294 379 T C -1.044 173.822 174.700 0.277 0.000 1.159 379 T CA -0.714 61.590 62.100 0.340 0.000 1.008 379 T CB 1.603 70.724 68.868 0.422 0.000 1.289 379 T HN 0.222 nan 8.240 nan 0.000 0.514 380 L N 3.324 124.684 121.223 0.229 0.000 2.540 380 L HA 0.353 4.693 4.340 -0.001 0.000 0.276 380 L C -0.088 176.865 176.870 0.138 0.000 1.212 380 L CA 0.388 55.325 54.840 0.163 0.000 0.893 380 L CB -0.689 41.445 42.059 0.125 0.000 1.138 380 L HN 0.900 nan 8.230 nan 0.000 0.491 381 N N 1.696 120.459 118.700 0.105 0.000 2.329 381 N HA 0.336 5.075 4.740 -0.001 0.000 0.282 381 N C -1.272 174.241 175.510 0.005 0.000 1.198 381 N CA -0.803 52.273 53.050 0.043 0.000 0.790 381 N CB 0.951 39.509 38.487 0.117 0.000 1.579 381 N HN 0.422 nan 8.380 nan 0.000 0.475 382 N N 0.832 119.493 118.700 -0.065 0.000 3.044 382 N HA 0.392 5.132 4.740 -0.001 0.000 0.254 382 N C 0.553 175.984 175.510 -0.132 0.000 1.253 382 N CA 0.876 53.883 53.050 -0.072 0.000 0.944 382 N CB -0.229 38.211 38.487 -0.078 0.000 1.217 382 N HN 1.025 nan 8.380 nan 0.000 0.498 383 G N 1.831 110.545 108.800 -0.144 0.000 2.527 383 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G C 0.828 175.508 174.900 -0.367 0.000 1.153 383 G CA 0.496 45.358 45.100 -0.397 0.000 0.954 383 G HN 0.718 nan 8.290 nan 0.000 0.552 384 S N 0.387 115.837 115.700 -0.418 0.000 2.496 384 S HA 0.287 4.756 4.470 -0.001 0.000 0.224 384 S C 1.107 175.630 174.600 -0.128 0.000 0.996 384 S CA 1.462 59.584 58.200 -0.130 0.000 0.927 384 S CB 0.162 63.329 63.200 -0.056 0.000 0.774 384 S HN 0.769 nan 8.310 nan 0.000 0.524 385 Q N 0.491 120.170 119.800 -0.202 0.000 2.185 385 Q HA 0.749 5.089 4.340 -0.001 0.000 0.225 385 Q C -0.461 175.292 176.000 -0.411 0.000 0.983 385 Q CA -0.512 55.117 55.803 -0.290 0.000 0.950 385 Q CB 1.324 29.931 28.738 -0.220 0.000 1.176 385 Q HN 0.473 nan 8.270 nan 0.000 0.510 386 A N 0.305 122.766 122.820 -0.598 0.000 2.350 386 A HA 0.694 5.014 4.320 -0.001 0.000 0.318 386 A C -0.789 176.625 177.584 -0.283 0.000 1.132 386 A CA -0.619 51.078 52.037 -0.567 0.000 0.811 386 A CB 1.072 19.415 19.000 -1.096 0.000 1.313 386 A HN 0.443 nan 8.150 nan 0.000 0.454 387 V N 0.064 119.886 119.914 -0.154 0.000 3.109 387 V HA 0.495 4.614 4.120 -0.001 0.000 0.317 387 V C 1.751 177.813 176.094 -0.055 0.000 1.074 387 V CA 0.300 62.552 62.300 -0.080 0.000 1.033 387 V CB 1.315 33.121 31.823 -0.028 0.000 1.111 387 V HN 1.163 nan 8.190 nan 0.000 0.458 388 G N 0.314 109.094 108.800 -0.033 0.000 2.471 388 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.219 388 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.219 388 G C 1.261 176.168 174.900 0.011 0.000 1.125 388 G CA 0.161 45.253 45.100 -0.014 0.000 0.775 388 G HN 0.652 nan 8.290 nan 0.000 0.548 389 R N 0.515 121.027 120.500 0.020 0.000 2.310 389 R HA 0.188 4.528 4.340 -0.001 0.000 0.202 389 R C 0.593 176.933 176.300 0.066 0.000 0.933 389 R CA -0.178 55.947 56.100 0.041 0.000 1.054 389 R CB 0.163 30.489 30.300 0.043 0.000 0.985 389 R HN 0.181 nan 8.270 nan 0.000 0.489 390 S N 0.390 116.134 115.700 0.074 0.000 2.589 390 S HA 0.149 4.618 4.470 -0.001 0.000 0.265 390 S C 0.174 174.846 174.600 0.119 0.000 1.342 390 S CA -0.041 58.240 58.200 0.134 0.000 1.005 390 S CB 1.288 64.593 63.200 0.175 0.000 0.909 390 S HN 0.049 nan 8.310 nan 0.000 0.555 391 S N 1.206 116.983 115.700 0.129 0.000 2.532 391 S HA 0.538 5.008 4.470 -0.001 0.000 0.299 391 S C -1.179 173.324 174.600 -0.162 0.000 1.105 391 S CA -0.575 57.566 58.200 -0.099 0.000 1.018 391 S CB 0.870 63.931 63.200 -0.232 0.000 1.021 391 S HN 0.527 nan 8.310 nan 0.000 0.483 392 F N 3.884 123.570 119.950 -0.439 0.000 2.427 392 F HA 0.619 5.146 4.527 -0.001 0.000 0.346 392 F C -1.536 173.942 175.800 -0.537 0.000 1.120 392 F CA -1.251 56.463 58.000 -0.476 0.000 1.033 392 F CB 0.448 39.189 39.000 -0.432 0.000 1.126 392 F HN 0.548 nan 8.300 nan 0.000 0.462 393 Y N 5.223 125.184 120.300 -0.564 0.000 2.341 393 Y HA 0.457 5.007 4.550 -0.001 0.000 0.338 393 Y C -0.284 175.141 175.900 -0.791 0.000 0.965 393 Y CA -0.954 56.797 58.100 -0.582 0.000 1.108 393 Y CB 1.672 39.876 38.460 -0.427 0.000 1.180 393 Y HN 0.721 nan 8.280 nan 0.000 0.458 394 C N 5.957 124.955 119.300 -0.503 0.000 2.281 394 C HA 0.406 4.866 4.460 -0.001 0.000 0.323 394 C C 0.823 175.823 174.990 0.017 0.000 1.270 394 C CA -0.731 58.003 59.018 -0.472 0.000 1.559 394 C CB -0.972 26.468 27.740 -0.500 0.000 2.239 394 C HN 0.976 nan 8.230 nan 0.000 0.488 395 L N 4.386 125.687 121.223 0.129 0.000 2.622 395 L HA 0.096 4.436 4.340 -0.001 0.000 0.233 395 L C 2.230 179.137 176.870 0.062 0.000 1.156 395 L CA 1.300 56.099 54.840 -0.069 0.000 0.866 395 L CB -0.467 41.179 42.059 -0.689 0.000 0.980 395 L HN 0.688 nan 8.230 nan 0.000 0.448 396 E N -1.643 118.747 120.200 0.317 0.000 2.371 396 E HA -0.134 4.216 4.350 -0.001 0.000 0.194 396 E C 1.348 178.043 176.600 0.159 0.000 1.012 396 E CA 0.517 57.108 56.400 0.319 0.000 0.860 396 E CB -0.089 29.828 29.700 0.362 0.000 0.811 396 E HN 0.548 nan 8.360 nan 0.000 0.502 397 Y N -0.075 120.217 120.300 -0.013 0.000 2.477 397 Y HA 0.079 4.629 4.550 -0.001 0.000 0.303 397 Y C -0.298 175.391 175.900 -0.352 0.000 1.202 397 Y CA -0.136 57.870 58.100 -0.156 0.000 1.282 397 Y CB -0.031 38.310 38.460 -0.199 0.000 1.071 397 Y HN -0.229 nan 8.280 nan 0.000 0.510 398 F N 1.336 121.031 119.950 -0.425 0.000 2.436 398 F HA 0.413 4.940 4.527 -0.001 0.000 0.340 398 F C -2.058 173.375 175.800 -0.612 0.000 1.113 398 F CA -3.119 54.472 58.000 -0.682 0.000 1.022 398 F CB 0.752 38.956 39.000 -1.326 0.000 1.128 398 F HN -0.070 nan 8.300 nan 0.000 0.466 399 P HA 0.123 nan 4.420 nan 0.000 0.262 399 P C -0.974 176.249 177.300 -0.128 0.000 1.199 399 P CA -0.001 62.990 63.100 -0.182 0.000 0.763 399 P CB 0.536 32.156 31.700 -0.134 0.000 0.790 400 S N 1.836 117.525 115.700 -0.019 0.000 2.548 400 S HA 0.397 4.867 4.470 -0.001 0.000 0.286 400 S C -0.811 173.886 174.600 0.162 0.000 1.098 400 S CA -0.992 57.290 58.200 0.137 0.000 0.930 400 S CB 1.682 65.047 63.200 0.274 0.000 1.070 400 S HN 0.431 nan 8.310 nan 0.000 0.480 401 Q N 1.958 121.885 119.800 0.210 0.000 2.279 401 Q HA 0.413 4.753 4.340 -0.001 0.000 0.256 401 Q C -1.004 175.099 176.000 0.172 0.000 0.937 401 Q CA -0.267 55.654 55.803 0.197 0.000 0.933 401 Q CB 0.582 29.491 28.738 0.286 0.000 1.189 401 Q HN 0.747 nan 8.270 nan 0.000 0.417 402 M N 4.302 123.981 119.600 0.133 0.000 2.209 402 M HA 0.339 4.819 4.480 -0.001 0.000 0.355 402 M C -1.180 175.184 176.300 0.108 0.000 1.171 402 M CA -0.677 54.687 55.300 0.107 0.000 1.069 402 M CB 0.981 33.626 32.600 0.076 0.000 1.622 402 M HN 0.445 nan 8.290 nan 0.000 0.459 403 L N 2.652 123.938 121.223 0.106 0.000 2.362 403 L HA 0.604 4.944 4.340 -0.001 0.000 0.275 403 L C -0.176 176.748 176.870 0.090 0.000 0.998 403 L CA -0.356 54.553 54.840 0.115 0.000 0.820 403 L CB 1.762 43.913 42.059 0.154 0.000 1.270 403 L HN 0.596 nan 8.230 nan 0.000 0.415 404 R N -0.100 120.447 120.500 0.079 0.000 2.606 404 R HA 0.650 4.990 4.340 -0.001 0.000 0.249 404 R C -0.524 175.817 176.300 0.069 0.000 1.127 404 R CA -0.538 55.598 56.100 0.060 0.000 1.133 404 R CB 1.017 31.344 30.300 0.046 0.000 1.243 404 R HN 0.639 nan 8.270 nan 0.000 0.558 405 T N 0.812 115.396 114.554 0.050 0.000 2.784 405 T HA 0.336 4.685 4.350 -0.001 0.000 0.291 405 T C 0.786 175.520 174.700 0.058 0.000 0.942 405 T CA 0.951 63.081 62.100 0.051 0.000 1.161 405 T CB 0.521 69.404 68.868 0.026 0.000 0.885 405 T HN 0.784 nan 8.240 nan 0.000 0.534 406 G N 3.554 112.401 108.800 0.079 0.000 2.211 406 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.201 406 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.201 406 G C 0.018 174.974 174.900 0.094 0.000 0.997 406 G CA -0.794 44.353 45.100 0.079 0.000 0.652 406 G HN 0.600 nan 8.290 nan 0.000 0.500 407 N N 1.653 120.419 118.700 0.109 0.000 2.508 407 N HA 0.598 5.338 4.740 -0.001 0.000 0.285 407 N C -0.135 175.480 175.510 0.175 0.000 1.144 407 N CA -0.121 53.005 53.050 0.127 0.000 0.978 407 N CB 1.161 39.723 38.487 0.125 0.000 1.180 407 N HN 0.682 nan 8.380 nan 0.000 0.484 408 N N -0.346 118.466 118.700 0.186 0.000 2.455 408 N HA 0.439 5.179 4.740 -0.001 0.000 0.278 408 N C -1.759 173.921 175.510 0.284 0.000 1.291 408 N CA -0.583 52.614 53.050 0.245 0.000 0.780 408 N CB 1.327 39.941 38.487 0.210 0.000 1.520 408 N HN 0.359 nan 8.380 nan 0.000 0.486 409 F N -0.014 120.029 119.950 0.155 0.000 2.520 409 F HA 0.532 5.058 4.527 -0.000 0.000 0.322 409 F C -0.691 175.209 175.800 0.167 0.000 1.103 409 F CA -0.454 57.640 58.000 0.157 0.000 0.926 409 F CB 2.031 41.137 39.000 0.176 0.000 1.154 409 F HN 0.569 nan 8.300 nan 0.000 0.453 410 Q N 5.111 124.543 119.800 -0.613 0.000 2.375 410 Q HA 0.612 4.952 4.340 -0.001 0.000 0.271 410 Q C -2.096 173.675 176.000 -0.381 0.000 1.074 410 Q CA -0.609 54.993 55.803 -0.335 0.000 0.808 410 Q CB 2.166 30.788 28.738 -0.194 0.000 1.327 410 Q HN 0.679 nan 8.270 nan 0.000 0.441 411 F N 1.051 120.870 119.950 -0.218 0.000 2.622 411 F HA 0.599 5.125 4.527 -0.001 0.000 0.318 411 F C -1.528 174.263 175.800 -0.016 0.000 1.135 411 F CA -0.251 57.680 58.000 -0.116 0.000 1.015 411 F CB 1.680 40.683 39.000 0.006 0.000 1.275 411 F HN 0.484 nan 8.300 nan 0.000 0.457 412 S N 5.182 120.375 115.700 -0.846 0.000 2.500 412 S HA 0.561 5.030 4.470 -0.001 0.000 0.301 412 S C -1.891 172.188 174.600 -0.869 0.000 1.092 412 S CA -0.555 57.244 58.200 -0.669 0.000 1.030 412 S CB 1.665 64.642 63.200 -0.372 0.000 1.031 412 S HN 0.623 nan 8.310 nan 0.000 0.483 413 Y N 1.353 121.225 120.300 -0.714 0.000 2.545 413 Y HA 0.639 5.189 4.550 -0.001 0.000 0.348 413 Y C -0.959 174.673 175.900 -0.447 0.000 1.002 413 Y CA -0.470 57.277 58.100 -0.589 0.000 1.039 413 Y CB 1.802 39.958 38.460 -0.507 0.000 1.271 413 Y HN 0.522 nan 8.280 nan 0.000 0.467 414 T N 6.303 120.082 114.554 -1.292 0.000 2.864 414 T HA 0.380 4.730 4.350 -0.001 0.000 0.299 414 T C -0.878 173.107 174.700 -1.191 0.000 1.011 414 T CA -0.432 61.098 62.100 -0.951 0.000 0.975 414 T CB -0.084 68.475 68.868 -0.515 0.000 0.962 414 T HN 0.453 nan 8.240 nan 0.000 0.448 415 F N 2.973 122.470 119.950 -0.755 0.000 2.595 415 F HA 0.138 4.664 4.527 -0.001 0.000 0.359 415 F C 1.627 177.238 175.800 -0.315 0.000 1.147 415 F CA -0.199 57.543 58.000 -0.429 0.000 1.341 415 F CB 0.604 39.437 39.000 -0.278 0.000 1.104 415 F HN 0.563 nan 8.300 nan 0.000 0.603 416 E N 0.654 120.864 120.200 0.018 0.000 2.622 416 E HA 0.175 4.525 4.350 -0.001 0.000 0.255 416 E C -1.186 175.396 176.600 -0.031 0.000 1.313 416 E CA -0.980 55.410 56.400 -0.017 0.000 1.011 416 E CB 0.346 30.067 29.700 0.035 0.000 1.173 416 E HN 0.356 nan 8.360 nan 0.000 0.601 417 D N 0.475 120.853 120.400 -0.038 0.000 2.358 417 D HA 0.226 4.865 4.640 -0.001 0.000 0.258 417 D C -1.136 175.134 176.300 -0.049 0.000 1.223 417 D CA 0.123 54.090 54.000 -0.055 0.000 0.886 417 D CB 1.194 41.975 40.800 -0.032 0.000 1.120 417 D HN 0.230 nan 8.370 nan 0.000 0.482 418 V N 4.564 124.419 119.914 -0.099 0.000 2.668 418 V HA 0.397 4.517 4.120 -0.001 0.000 0.304 418 V C -2.560 173.500 176.094 -0.058 0.000 1.071 418 V CA -2.218 60.052 62.300 -0.050 0.000 0.894 418 V CB 2.154 33.960 31.823 -0.028 0.000 1.008 418 V HN 0.341 nan 8.190 nan 0.000 0.425 419 P HA 0.076 nan 4.420 nan 0.000 0.263 419 P C -0.437 176.995 177.300 0.219 0.000 1.175 419 P CA 0.398 63.580 63.100 0.137 0.000 0.761 419 P CB 0.007 31.791 31.700 0.138 0.000 0.794 420 F N 1.344 121.386 119.950 0.154 0.000 2.628 420 F HA -0.016 4.511 4.527 -0.001 0.000 0.362 420 F C 1.751 177.666 175.800 0.192 0.000 1.148 420 F CA 0.655 58.765 58.000 0.184 0.000 1.352 420 F CB -0.092 38.992 39.000 0.139 0.000 1.081 420 F HN 0.430 nan 8.300 nan 0.000 0.605 421 H N 0.650 119.826 119.070 0.176 0.000 2.607 421 H HA 0.259 4.815 4.556 -0.001 0.000 0.367 421 H C -0.381 174.952 175.328 0.009 0.000 1.181 421 H CA -0.556 55.441 56.048 -0.085 0.000 1.402 421 H CB 0.760 30.230 29.762 -0.486 0.000 1.474 421 H HN 0.449 nan 8.280 nan 0.000 0.596 422 S N 2.753 117.842 115.700 -1.019 0.000 2.681 422 S HA 0.065 4.535 4.470 -0.001 0.000 0.313 422 S C 0.200 174.381 174.600 -0.697 0.000 1.137 422 S CA -0.366 57.349 58.200 -0.807 0.000 1.045 422 S CB 0.053 62.633 63.200 -1.034 0.000 1.208 422 S HN 0.596 nan 8.310 nan 0.000 0.523 423 S N 2.733 118.370 115.700 -0.105 0.000 2.763 423 S HA 0.202 4.672 4.470 -0.001 0.000 0.237 423 S C -0.065 174.592 174.600 0.097 0.000 0.966 423 S CA -0.445 57.812 58.200 0.094 0.000 1.017 423 S CB -0.589 62.787 63.200 0.294 0.000 0.780 423 S HN 0.803 nan 8.310 nan 0.000 0.476 424 Y N -1.579 118.602 120.300 -0.198 0.000 2.638 424 Y HA 0.886 5.436 4.550 -0.001 0.000 0.339 424 Y C -0.766 174.917 175.900 -0.361 0.000 1.084 424 Y CA -1.945 55.965 58.100 -0.317 0.000 1.068 424 Y CB 0.779 38.834 38.460 -0.675 0.000 1.294 424 Y HN -0.066 nan 8.280 nan 0.000 0.480 425 A N 1.248 123.934 122.820 -0.223 0.000 2.449 425 A HA 0.524 4.843 4.320 -0.001 0.000 0.302 425 A C -1.542 175.928 177.584 -0.191 0.000 1.048 425 A CA -0.909 50.957 52.037 -0.284 0.000 0.708 425 A CB 0.707 19.617 19.000 -0.150 0.000 1.274 425 A HN 0.862 nan 8.150 nan 0.000 0.410 426 H N 1.983 121.050 119.070 -0.005 0.000 2.803 426 H HA 0.127 4.683 4.556 -0.001 0.000 0.330 426 H C 1.250 176.573 175.328 -0.008 0.000 1.057 426 H CA 0.920 56.969 56.048 0.001 0.000 1.458 426 H CB 1.188 30.944 29.762 -0.009 0.000 1.470 426 H HN 0.776 nan 8.280 nan 0.000 0.560 427 S N 2.029 117.791 115.700 0.103 0.000 2.528 427 S HA 0.027 4.497 4.470 -0.001 0.000 0.219 427 S C 0.677 175.314 174.600 0.062 0.000 0.985 427 S CA -0.092 58.149 58.200 0.068 0.000 0.914 427 S CB 0.559 63.795 63.200 0.060 0.000 0.776 427 S HN 0.571 nan 8.310 nan 0.000 0.526 428 Q N 0.657 120.498 119.800 0.068 0.000 2.252 428 Q HA 0.657 4.996 4.340 -0.001 0.000 0.256 428 Q C -0.858 175.150 176.000 0.014 0.000 1.020 428 Q CA -0.629 55.193 55.803 0.031 0.000 0.913 428 Q CB 1.854 30.599 28.738 0.011 0.000 1.286 428 Q HN 0.305 nan 8.270 nan 0.000 0.480 429 S N -0.466 115.230 115.700 -0.007 0.000 2.638 429 S HA 0.380 4.850 4.470 -0.001 0.000 0.302 429 S C 0.716 175.297 174.600 -0.032 0.000 1.096 429 S CA -0.610 57.578 58.200 -0.021 0.000 0.953 429 S CB 0.894 64.089 63.200 -0.009 0.000 1.107 429 S HN 0.695 nan 8.310 nan 0.000 0.503 430 L N 1.456 122.658 121.223 -0.034 0.000 2.017 430 L HA -0.078 4.262 4.340 -0.001 0.000 0.208 430 L C 2.017 178.899 176.870 0.020 0.000 1.073 430 L CA 1.891 56.727 54.840 -0.007 0.000 0.745 430 L CB -0.342 41.722 42.059 0.007 0.000 0.894 430 L HN 0.826 nan 8.230 nan 0.000 0.432 431 D N -1.174 119.226 120.400 -0.000 0.000 2.289 431 D HA -0.122 4.517 4.640 -0.001 0.000 0.207 431 D C 0.947 177.240 176.300 -0.012 0.000 0.966 431 D CA 0.380 54.374 54.000 -0.009 0.000 0.868 431 D CB -0.065 40.719 40.800 -0.027 0.000 0.943 431 D HN 0.167 nan 8.370 nan 0.000 0.514 432 R N 0.982 121.476 120.500 -0.009 0.000 3.863 432 R HA 0.229 4.569 4.340 -0.001 0.000 0.304 432 R C 0.727 177.026 176.300 -0.001 0.000 1.485 432 R CA -0.258 55.838 56.100 -0.008 0.000 1.355 432 R CB 0.343 30.639 30.300 -0.006 0.000 1.457 432 R HN 0.215 nan 8.270 nan 0.000 0.669 433 L N 0.411 121.638 121.223 0.006 0.000 2.575 433 L HA 0.197 4.537 4.340 -0.001 0.000 0.228 433 L C 0.439 177.318 176.870 0.015 0.000 1.075 433 L CA 0.760 55.610 54.840 0.016 0.000 0.867 433 L CB 0.157 42.242 42.059 0.044 0.000 1.097 433 L HN 0.159 nan 8.230 nan 0.000 0.485 434 M N -0.714 118.887 119.600 0.002 0.000 1.801 434 M HA 0.215 4.695 4.480 -0.001 0.000 0.198 434 M C 0.445 176.739 176.300 -0.010 0.000 1.248 434 M CA -0.053 55.242 55.300 -0.009 0.000 0.893 434 M CB -0.817 31.764 32.600 -0.032 0.000 1.199 434 M HN -0.134 nan 8.290 nan 0.000 0.482 435 N N 0.477 119.167 118.700 -0.017 0.000 2.422 435 N HA 0.347 5.087 4.740 -0.001 0.000 0.266 435 N C -2.212 173.288 175.510 -0.015 0.000 1.007 435 N CA -1.678 51.365 53.050 -0.012 0.000 0.941 435 N CB 1.054 39.535 38.487 -0.009 0.000 1.115 435 N HN 0.325 nan 8.380 nan 0.000 0.492 436 P HA -0.011 nan 4.420 nan 0.000 0.225 436 P C 0.901 178.196 177.300 -0.009 0.000 1.148 436 P CA 0.642 63.735 63.100 -0.010 0.000 0.779 436 P CB 0.553 32.249 31.700 -0.006 0.000 0.780 437 L N -2.039 119.180 121.223 -0.007 0.000 2.316 437 L HA 0.127 4.466 4.340 -0.001 0.000 0.207 437 L C 1.083 177.950 176.870 -0.004 0.000 1.070 437 L CA 0.757 55.594 54.840 -0.005 0.000 0.820 437 L CB -0.419 41.639 42.059 -0.002 0.000 0.992 437 L HN -0.139 nan 8.230 nan 0.000 0.466 438 I N -0.412 120.154 120.570 -0.007 0.000 2.577 438 I HA 0.282 4.452 4.170 -0.001 0.000 0.305 438 I C -0.514 175.591 176.117 -0.020 0.000 0.986 438 I CA -0.833 60.464 61.300 -0.006 0.000 1.189 438 I CB 1.012 39.012 38.000 0.001 0.000 1.355 438 I HN -0.020 nan 8.210 nan 0.000 0.476 439 D N 2.944 123.333 120.400 -0.018 0.000 2.253 439 D HA 0.359 4.999 4.640 -0.001 0.000 0.249 439 D C 0.060 176.319 176.300 -0.068 0.000 1.049 439 D CA -0.403 53.573 54.000 -0.039 0.000 0.929 439 D CB 0.771 41.553 40.800 -0.030 0.000 1.176 439 D HN 0.338 nan 8.370 nan 0.000 0.437 440 Q N 0.250 119.978 119.800 -0.120 0.000 2.417 440 Q HA 0.137 4.476 4.340 -0.001 0.000 0.241 440 Q C 0.174 176.065 176.000 -0.181 0.000 1.008 440 Q CA -0.235 55.433 55.803 -0.225 0.000 0.901 440 Q CB 0.636 29.225 28.738 -0.248 0.000 1.259 440 Q HN 0.676 nan 8.270 nan 0.000 0.489 441 Y N -0.846 119.421 120.300 -0.057 0.000 2.457 441 Y HA 0.367 4.917 4.550 -0.001 0.000 0.263 441 Y C -0.062 175.819 175.900 -0.031 0.000 1.164 441 Y CA -0.494 57.580 58.100 -0.043 0.000 1.274 441 Y CB 0.295 38.761 38.460 0.010 0.000 1.097 441 Y HN 0.248 nan 8.280 nan 0.000 0.523 442 L N 0.906 122.095 121.223 -0.057 0.000 2.399 442 L HA 0.370 4.710 4.340 -0.001 0.000 0.265 442 L C -1.021 175.827 176.870 -0.036 0.000 1.089 442 L CA -0.945 53.933 54.840 0.063 0.000 0.802 442 L CB 0.935 42.984 42.059 -0.017 0.000 1.180 442 L HN 0.095 nan 8.230 nan 0.000 0.454 443 Y N 0.505 120.865 120.300 0.101 0.000 2.429 443 Y HA 0.460 5.010 4.550 -0.001 0.000 0.342 443 Y C -0.411 175.596 175.900 0.178 0.000 1.004 443 Y CA -0.573 57.583 58.100 0.093 0.000 1.075 443 Y CB 1.789 40.236 38.460 -0.021 0.000 1.214 443 Y HN 0.383 nan 8.280 nan 0.000 0.455 444 Y N 0.379 120.826 120.300 0.246 0.000 2.605 444 Y HA 0.735 5.285 4.550 -0.001 0.000 0.343 444 Y C -1.702 174.402 175.900 0.339 0.000 1.036 444 Y CA -1.753 56.481 58.100 0.223 0.000 1.065 444 Y CB 1.163 39.685 38.460 0.103 0.000 1.288 444 Y HN 0.545 nan 8.280 nan 0.000 0.481 445 L N 2.880 124.312 121.223 0.347 0.000 2.276 445 L HA 0.404 4.744 4.340 -0.001 0.000 0.286 445 L C 0.006 176.928 176.870 0.086 0.000 1.061 445 L CA -0.166 54.740 54.840 0.109 0.000 0.807 445 L CB 0.883 42.980 42.059 0.063 0.000 1.177 445 L HN 1.070 nan 8.230 nan 0.000 0.429 446 N N 2.187 120.855 118.700 -0.054 0.000 2.145 446 N HA 0.174 4.913 4.740 -0.001 0.000 0.219 446 N C -0.488 175.007 175.510 -0.025 0.000 1.266 446 N CA -0.647 52.431 53.050 0.048 0.000 0.902 446 N CB 0.642 39.203 38.487 0.123 0.000 1.078 446 N HN 0.312 nan 8.380 nan 0.000 0.513 447 R N 0.965 121.398 120.500 -0.112 0.000 2.502 447 R HA 0.263 4.602 4.340 -0.001 0.000 0.300 447 R C -0.005 176.207 176.300 -0.148 0.000 0.984 447 R CA -0.311 55.725 56.100 -0.107 0.000 0.882 447 R CB 1.480 31.718 30.300 -0.103 0.000 1.180 447 R HN 0.269 nan 8.270 nan 0.000 0.444 448 T N -1.788 112.707 114.554 -0.098 0.000 3.034 448 T HA -0.044 4.305 4.350 -0.001 0.000 0.248 448 T C 1.222 175.876 174.700 -0.076 0.000 1.040 448 T CA 0.485 62.527 62.100 -0.096 0.000 1.107 448 T CB 0.405 69.237 68.868 -0.060 0.000 0.932 448 T HN 0.587 nan 8.240 nan 0.000 0.474 449 Q N 0.970 120.735 119.800 -0.059 0.000 2.534 449 Q HA 0.371 4.711 4.340 -0.001 0.000 0.207 449 Q C 1.598 177.573 176.000 -0.041 0.000 0.735 449 Q CA -0.013 55.763 55.803 -0.045 0.000 0.904 449 Q CB -0.567 28.151 28.738 -0.032 0.000 1.294 449 Q HN 0.294 nan 8.270 nan 0.000 0.553 450 G N 2.265 111.044 108.800 -0.036 0.000 2.198 450 G HA2 0.195 4.155 3.960 -0.001 0.000 0.280 450 G HA3 0.195 4.155 3.960 -0.001 0.000 0.280 450 G C -0.308 174.573 174.900 -0.032 0.000 0.954 450 G CA 0.767 45.850 45.100 -0.029 0.000 1.281 450 G HN 0.363 nan 8.290 nan 0.000 0.373 451 T N 0.952 115.489 114.554 -0.028 0.000 2.849 451 T HA 0.307 4.657 4.350 -0.001 0.000 0.272 451 T C 1.026 175.715 174.700 -0.019 0.000 1.046 451 T CA -0.525 61.559 62.100 -0.027 0.000 0.983 451 T CB 0.543 69.394 68.868 -0.028 0.000 1.721 451 T HN 0.164 nan 8.240 nan 0.000 0.594 452 T N 2.729 117.274 114.554 -0.016 0.000 4.216 452 T HA 0.106 4.455 4.350 -0.001 0.000 0.221 452 T C 0.458 175.151 174.700 -0.011 0.000 0.939 452 T CA 0.128 62.221 62.100 -0.011 0.000 1.218 452 T CB -0.788 68.074 68.868 -0.009 0.000 1.266 452 T HN 0.494 nan 8.240 nan 0.000 0.917 453 S N 1.948 117.642 115.700 -0.011 0.000 2.429 453 S HA 0.482 4.951 4.470 -0.001 0.000 0.292 453 S C 1.148 175.743 174.600 -0.008 0.000 1.183 453 S CA 0.181 58.375 58.200 -0.010 0.000 1.088 453 S CB -0.128 63.065 63.200 -0.011 0.000 1.018 453 S HN 0.843 nan 8.310 nan 0.000 0.511 454 G N 3.582 112.377 108.800 -0.008 0.000 4.170 454 G HA2 0.161 4.120 3.960 -0.001 0.000 0.143 454 G HA3 0.161 4.120 3.960 -0.001 0.000 0.143 454 G C -0.294 174.602 174.900 -0.006 0.000 1.261 454 G CA -0.220 44.876 45.100 -0.006 0.000 1.043 454 G HN 0.583 nan 8.290 nan 0.000 0.382 455 T N 2.283 116.833 114.554 -0.006 0.000 2.794 455 T HA 0.498 4.848 4.350 -0.001 0.000 0.280 455 T C 0.347 175.043 174.700 -0.007 0.000 0.987 455 T CA 0.610 62.707 62.100 -0.006 0.000 0.993 455 T CB 1.348 70.213 68.868 -0.005 0.000 0.939 455 T HN 0.608 nan 8.240 nan 0.000 0.449 456 T N 3.655 118.205 114.554 -0.007 0.000 3.760 456 T HA -0.171 4.179 4.350 -0.001 0.000 0.366 456 T C 0.148 174.842 174.700 -0.009 0.000 0.761 456 T CA 0.548 62.644 62.100 -0.007 0.000 1.887 456 T CB -1.211 67.654 68.868 -0.006 0.000 1.811 456 T HN 0.621 nan 8.240 nan 0.000 0.749 457 N N 1.618 120.311 118.700 -0.010 0.000 2.841 457 N HA 0.117 4.857 4.740 -0.001 0.000 0.257 457 N C 1.413 176.914 175.510 -0.015 0.000 1.396 457 N CA -0.503 52.540 53.050 -0.013 0.000 0.823 457 N CB 1.292 39.771 38.487 -0.014 0.000 1.162 457 N HN 0.530 nan 8.380 nan 0.000 0.503 458 Q N 0.283 120.075 119.800 -0.015 0.000 1.984 458 Q HA 0.031 4.370 4.340 -0.001 0.000 0.196 458 Q C 0.252 176.240 176.000 -0.020 0.000 0.975 458 Q CA 0.923 56.717 55.803 -0.015 0.000 0.827 458 Q CB -0.199 28.531 28.738 -0.013 0.000 0.894 458 Q HN 0.320 nan 8.270 nan 0.000 0.438 459 S N -0.842 114.844 115.700 -0.023 0.000 2.550 459 S HA 0.761 5.230 4.470 -0.001 0.000 0.270 459 S C -1.031 173.547 174.600 -0.037 0.000 1.145 459 S CA -1.039 57.142 58.200 -0.031 0.000 0.852 459 S CB 3.071 66.254 63.200 -0.029 0.000 1.119 459 S HN 0.450 nan 8.310 nan 0.000 0.465 460 R N 1.067 121.534 120.500 -0.054 0.000 2.579 460 R HA 0.394 4.734 4.340 -0.001 0.000 0.260 460 R C -1.966 174.265 176.300 -0.115 0.000 1.103 460 R CA -0.750 55.310 56.100 -0.066 0.000 0.942 460 R CB 1.055 31.323 30.300 -0.055 0.000 1.251 460 R HN 0.806 nan 8.270 nan 0.000 0.450 461 L N 5.686 126.827 121.223 -0.137 0.000 2.325 461 L HA 0.393 4.732 4.340 -0.001 0.000 0.284 461 L C -0.468 176.142 176.870 -0.434 0.000 1.089 461 L CA -0.226 54.444 54.840 -0.284 0.000 0.836 461 L CB 0.591 42.528 42.059 -0.203 0.000 1.184 461 L HN 0.376 nan 8.230 nan 0.000 0.444 462 L N 4.124 125.010 121.223 -0.560 0.000 2.385 462 L HA 0.573 4.913 4.340 -0.001 0.000 0.273 462 L C -0.830 175.666 176.870 -0.624 0.000 0.990 462 L CA -0.421 54.145 54.840 -0.457 0.000 0.821 462 L CB 1.917 43.852 42.059 -0.207 0.000 1.279 462 L HN 0.336 nan 8.230 nan 0.000 0.412 463 F N 0.275 120.181 119.950 -0.073 0.000 2.522 463 F HA 0.582 5.108 4.527 -0.001 0.000 0.324 463 F C 0.379 176.122 175.800 -0.095 0.000 1.077 463 F CA -0.585 57.354 58.000 -0.101 0.000 0.944 463 F CB 2.198 41.166 39.000 -0.054 0.000 1.175 463 F HN 0.260 nan 8.300 nan 0.000 0.468 464 S N 0.672 116.278 115.700 -0.156 0.000 2.536 464 S HA 0.321 4.791 4.470 -0.001 0.000 0.298 464 S C -1.023 173.385 174.600 -0.319 0.000 1.083 464 S CA -0.867 57.194 58.200 -0.231 0.000 0.995 464 S CB 1.822 64.787 63.200 -0.391 0.000 1.058 464 S HN 0.638 nan 8.310 nan 0.000 0.488 465 Q N 2.122 121.756 119.800 -0.276 0.000 2.288 465 Q HA 0.543 4.882 4.340 -0.001 0.000 0.258 465 Q C -0.226 175.714 176.000 -0.101 0.000 0.957 465 Q CA -0.711 54.719 55.803 -0.622 0.000 0.919 465 Q CB 0.774 29.080 28.738 -0.720 0.000 1.185 465 Q HN 0.782 nan 8.270 nan 0.000 0.408 466 A N 3.399 126.256 122.820 0.063 0.000 2.565 466 A HA 0.460 4.779 4.320 -0.001 0.000 0.237 466 A C 0.330 177.915 177.584 0.002 0.000 1.053 466 A CA 0.775 52.893 52.037 0.135 0.000 0.755 466 A CB 0.092 19.086 19.000 -0.011 0.000 0.980 466 A HN 0.888 nan 8.150 nan 0.000 0.506 467 G N 1.084 109.895 108.800 0.017 0.000 2.818 467 G HA2 0.597 4.557 3.960 -0.001 0.000 0.286 467 G HA3 0.597 4.557 3.960 -0.001 0.000 0.286 467 G C -2.404 172.485 174.900 -0.018 0.000 1.364 467 G CA -1.025 44.071 45.100 -0.007 0.000 0.938 467 G HN 0.302 nan 8.290 nan 0.000 0.490 468 P HA -0.053 nan 4.420 nan 0.000 0.222 468 P C 1.512 178.804 177.300 -0.013 0.000 1.147 468 P CA 1.064 64.153 63.100 -0.018 0.000 0.790 468 P CB 0.308 32.001 31.700 -0.012 0.000 0.780 469 Q N -0.335 119.464 119.800 -0.003 0.000 2.096 469 Q HA -0.017 4.323 4.340 -0.001 0.000 0.197 469 Q C 1.080 177.082 176.000 0.002 0.000 0.964 469 Q CA 1.325 57.130 55.803 0.005 0.000 0.838 469 Q CB -0.470 28.278 28.738 0.016 0.000 0.906 469 Q HN 0.285 nan 8.270 nan 0.000 0.444 470 S N -0.024 115.680 115.700 0.005 0.000 3.983 470 S HA 0.218 4.688 4.470 -0.001 0.000 0.194 470 S C 0.837 175.385 174.600 -0.088 0.000 1.464 470 S CA -0.313 57.873 58.200 -0.023 0.000 1.021 470 S CB 0.148 63.367 63.200 0.032 0.000 1.424 470 S HN 0.221 nan 8.310 nan 0.000 0.473 471 M N 2.341 121.902 119.600 -0.065 0.000 2.156 471 M HA -0.060 4.420 4.480 -0.001 0.000 0.264 471 M C 1.820 178.064 176.300 -0.093 0.000 1.067 471 M CA 1.566 56.823 55.300 -0.071 0.000 1.131 471 M CB -0.062 32.512 32.600 -0.044 0.000 1.368 471 M HN 0.676 nan 8.290 nan 0.000 0.416 472 S N -0.732 114.912 115.700 -0.093 0.000 2.679 472 S HA 0.210 4.679 4.470 -0.001 0.000 0.233 472 S C 0.887 175.399 174.600 -0.146 0.000 0.951 472 S CA -0.295 57.845 58.200 -0.099 0.000 0.973 472 S CB -0.387 62.771 63.200 -0.071 0.000 0.778 472 S HN 0.567 nan 8.310 nan 0.000 0.477 473 L N -0.493 120.594 121.223 -0.226 0.000 2.993 473 L HA 0.310 4.650 4.340 -0.001 0.000 0.264 473 L C 0.655 177.223 176.870 -0.503 0.000 1.154 473 L CA -0.234 54.370 54.840 -0.393 0.000 0.972 473 L CB 0.173 41.901 42.059 -0.551 0.000 1.373 473 L HN 0.254 nan 8.230 nan 0.000 0.564 474 Q N 1.194 120.793 119.800 -0.335 0.000 2.432 474 Q HA 0.336 4.676 4.340 -0.001 0.000 0.264 474 Q C 0.507 176.391 176.000 -0.193 0.000 1.035 474 Q CA -0.097 55.548 55.803 -0.262 0.000 0.908 474 Q CB 0.970 29.607 28.738 -0.169 0.000 1.280 474 Q HN 0.273 nan 8.270 nan 0.000 0.455 475 A N 1.918 124.647 122.820 -0.151 0.000 2.520 475 A HA 0.196 4.516 4.320 -0.001 0.000 0.235 475 A C -0.040 177.474 177.584 -0.117 0.000 1.065 475 A CA 0.259 52.228 52.037 -0.114 0.000 0.764 475 A CB 0.306 19.247 19.000 -0.098 0.000 1.002 475 A HN 0.578 nan 8.150 nan 0.000 0.502 476 R N 0.326 120.760 120.500 -0.111 0.000 2.807 476 R HA 0.449 4.789 4.340 -0.001 0.000 0.276 476 R C 0.227 176.409 176.300 -0.197 0.000 0.979 476 R CA -0.617 55.415 56.100 -0.113 0.000 0.928 476 R CB 1.150 31.408 30.300 -0.069 0.000 1.191 476 R HN 0.735 nan 8.270 nan 0.000 0.471 477 N N 0.229 118.742 118.700 -0.312 0.000 2.250 477 N HA 0.163 4.903 4.740 -0.001 0.000 0.190 477 N C -1.021 173.877 175.510 -1.019 0.000 1.116 477 N CA 0.339 52.935 53.050 -0.757 0.000 0.881 477 N CB 0.456 38.332 38.487 -1.018 0.000 1.006 477 N HN 0.368 nan 8.380 nan 0.000 0.491 478 W N 0.083 121.382 121.300 -0.002 0.000 3.083 478 W HA 0.546 5.206 4.660 -0.001 0.000 0.333 478 W C -0.696 175.835 176.519 0.019 0.000 1.217 478 W CA -0.767 56.586 57.345 0.012 0.000 1.170 478 W CB 0.811 30.270 29.460 -0.001 0.000 1.437 478 W HN -0.371 nan 8.180 nan 0.000 0.557 479 L N 2.024 123.429 121.223 0.305 0.000 2.303 479 L HA 0.652 4.991 4.340 -0.001 0.000 0.266 479 L C -2.141 174.854 176.870 0.208 0.000 1.011 479 L CA -2.726 52.237 54.840 0.204 0.000 0.818 479 L CB 0.535 42.714 42.059 0.200 0.000 1.326 479 L HN 0.068 nan 8.230 nan 0.000 0.435 480 P HA 0.243 nan 4.420 nan 0.000 0.274 480 P C -0.116 177.343 177.300 0.264 0.000 1.256 480 P CA -0.372 62.828 63.100 0.168 0.000 0.795 480 P CB 0.443 32.193 31.700 0.083 0.000 1.038 481 G N 0.679 109.640 108.800 0.268 0.000 2.667 481 G HA2 0.307 4.267 3.960 -0.001 0.000 0.250 481 G HA3 0.307 4.267 3.960 -0.001 0.000 0.250 481 G C -2.281 172.684 174.900 0.109 0.000 1.212 481 G CA -0.933 44.315 45.100 0.246 0.000 0.874 481 G HN 0.363 nan 8.290 nan 0.000 0.561 482 P HA 0.208 nan 4.420 nan 0.000 0.273 482 P C 0.106 177.333 177.300 -0.123 0.000 1.258 482 P CA -0.028 62.944 63.100 -0.213 0.000 0.802 482 P CB 0.599 32.062 31.700 -0.394 0.000 1.040 483 C N -1.864 117.344 119.300 -0.154 0.000 3.285 483 C HA 0.706 5.165 4.460 -0.001 0.000 0.325 483 C C -1.717 173.297 174.990 0.040 0.000 1.304 483 C CA -0.722 58.276 59.018 -0.033 0.000 1.319 483 C CB 0.697 28.459 27.740 0.036 0.000 1.640 483 C HN 0.604 nan 8.230 nan 0.000 0.477 484 Y N 1.715 121.972 120.300 -0.070 0.000 2.379 484 Y HA 0.491 5.040 4.550 -0.001 0.000 0.342 484 Y C 0.340 176.226 175.900 -0.023 0.000 1.126 484 Y CA -0.327 57.740 58.100 -0.054 0.000 1.310 484 Y CB 0.510 38.945 38.460 -0.042 0.000 1.115 484 Y HN 1.055 nan 8.280 nan 0.000 0.505 485 R N 3.693 124.076 120.500 -0.195 0.000 2.500 485 R HA 0.016 4.356 4.340 -0.001 0.000 0.281 485 R C -0.475 175.748 176.300 -0.130 0.000 0.953 485 R CA 0.810 56.827 56.100 -0.137 0.000 1.108 485 R CB 0.494 30.701 30.300 -0.155 0.000 0.901 485 R HN 0.608 nan 8.270 nan 0.000 0.410 486 Q N 2.318 122.076 119.800 -0.070 0.000 2.297 486 Q HA 0.141 4.480 4.340 -0.001 0.000 0.268 486 Q C -0.827 175.111 176.000 -0.103 0.000 1.045 486 Q CA -0.939 54.811 55.803 -0.088 0.000 0.861 486 Q CB 1.832 30.514 28.738 -0.093 0.000 1.344 486 Q HN 0.515 nan 8.270 nan 0.000 0.452 487 Q N 1.230 120.963 119.800 -0.111 0.000 2.327 487 Q HA 0.139 4.479 4.340 -0.001 0.000 0.254 487 Q C -0.760 175.178 176.000 -0.103 0.000 0.952 487 Q CA 0.149 55.902 55.803 -0.083 0.000 0.884 487 Q CB 0.752 29.487 28.738 -0.005 0.000 1.224 487 Q HN 0.386 nan 8.270 nan 0.000 0.422 488 R N 3.130 123.571 120.500 -0.098 0.000 2.308 488 R HA 0.419 4.759 4.340 -0.001 0.000 0.305 488 R C -1.216 175.044 176.300 -0.066 0.000 1.053 488 R CA -0.384 55.654 56.100 -0.103 0.000 0.957 488 R CB 0.295 30.512 30.300 -0.139 0.000 1.022 488 R HN 0.531 nan 8.270 nan 0.000 0.461 489 L N 2.078 123.182 121.223 -0.199 0.000 2.354 489 L HA 0.429 4.769 4.340 -0.001 0.000 0.269 489 L C -0.238 176.598 176.870 -0.057 0.000 1.005 489 L CA -0.172 54.533 54.840 -0.224 0.000 0.819 489 L CB 2.041 43.694 42.059 -0.676 0.000 1.311 489 L HN 0.586 nan 8.230 nan 0.000 0.423 490 S N 0.227 115.990 115.700 0.104 0.000 2.549 490 S HA 0.435 4.905 4.470 -0.001 0.000 0.297 490 S C 0.769 175.451 174.600 0.137 0.000 1.115 490 S CA -0.578 57.637 58.200 0.026 0.000 1.059 490 S CB 1.041 64.212 63.200 -0.049 0.000 1.046 490 S HN 0.644 nan 8.310 nan 0.000 0.506 491 K N 1.321 121.776 120.400 0.091 0.000 2.288 491 K HA 0.027 4.346 4.320 -0.001 0.000 0.201 491 K C 0.223 176.834 176.600 0.017 0.000 1.048 491 K CA 0.692 57.033 56.287 0.091 0.000 0.956 491 K CB -0.224 32.275 32.500 -0.003 0.000 0.746 491 K HN 0.496 nan 8.250 nan 0.000 0.461 492 T N 1.870 116.405 114.554 -0.032 0.000 2.738 492 T HA 0.179 4.529 4.350 -0.001 0.000 0.293 492 T C 0.597 175.308 174.700 0.018 0.000 0.913 492 T CA -0.289 61.798 62.100 -0.022 0.000 1.103 492 T CB 1.235 70.073 68.868 -0.050 0.000 0.880 492 T HN 0.146 nan 8.240 nan 0.000 0.526 493 A N 3.890 126.725 122.820 0.025 0.000 2.223 493 A HA 0.046 4.365 4.320 -0.001 0.000 0.222 493 A C 1.613 179.223 177.584 0.043 0.000 1.317 493 A CA 0.100 52.162 52.037 0.041 0.000 0.985 493 A CB -0.671 18.347 19.000 0.030 0.000 0.858 493 A HN 0.948 nan 8.150 nan 0.000 0.496 494 N N -2.653 116.072 118.700 0.043 0.000 2.067 494 N HA -0.029 4.711 4.740 -0.001 0.000 0.227 494 N C -0.331 175.214 175.510 0.057 0.000 1.348 494 N CA 0.250 53.327 53.050 0.045 0.000 0.879 494 N CB 0.099 38.604 38.487 0.030 0.000 1.109 494 N HN 0.113 nan 8.380 nan 0.000 0.501 495 D N 1.025 121.466 120.400 0.068 0.000 2.277 495 D HA 0.068 4.708 4.640 -0.001 0.000 0.208 495 D C 0.182 176.551 176.300 0.115 0.000 0.962 495 D CA 0.673 54.733 54.000 0.099 0.000 0.865 495 D CB 0.014 40.894 40.800 0.133 0.000 0.939 495 D HN 0.268 nan 8.370 nan 0.000 0.510 496 N N 1.110 119.883 118.700 0.121 0.000 2.445 496 N HA 0.013 4.753 4.740 -0.001 0.000 0.264 496 N C 0.061 175.645 175.510 0.123 0.000 1.227 496 N CA -0.275 52.865 53.050 0.151 0.000 0.963 496 N CB 0.394 39.010 38.487 0.214 0.000 1.188 496 N HN 0.027 nan 8.380 nan 0.000 0.491 497 N N 0.858 119.627 118.700 0.116 0.000 2.492 497 N HA -0.088 4.652 4.740 -0.001 0.000 0.262 497 N C -0.258 175.340 175.510 0.148 0.000 1.202 497 N CA 0.235 53.325 53.050 0.066 0.000 0.926 497 N CB 0.086 38.526 38.487 -0.080 0.000 1.078 497 N HN 0.450 nan 8.380 nan 0.000 0.454 498 N N 1.874 120.630 118.700 0.093 0.000 3.193 498 N HA -0.024 4.715 4.740 -0.001 0.000 0.312 498 N C -1.039 174.537 175.510 0.110 0.000 1.261 498 N CA -0.164 52.943 53.050 0.094 0.000 1.208 498 N CB -0.123 38.399 38.487 0.058 0.000 1.471 498 N HN 0.493 nan 8.380 nan 0.000 0.548 499 S N 0.312 116.125 115.700 0.188 0.000 2.537 499 S HA 0.195 4.665 4.470 -0.001 0.000 0.270 499 S C -0.953 173.835 174.600 0.313 0.000 1.142 499 S CA -1.123 57.202 58.200 0.209 0.000 0.870 499 S CB 1.427 64.731 63.200 0.174 0.000 1.112 499 S HN 0.244 nan 8.310 nan 0.000 0.466 500 N N 1.340 120.152 118.700 0.188 0.000 2.439 500 N HA 0.430 5.169 4.740 -0.001 0.000 0.243 500 N C -0.396 175.210 175.510 0.161 0.000 1.088 500 N CA -0.844 52.260 53.050 0.091 0.000 0.940 500 N CB -0.316 38.197 38.487 0.044 0.000 1.180 500 N HN 0.677 nan 8.380 nan 0.000 0.505 501 F N 1.792 121.781 119.950 0.065 0.000 2.805 501 F HA 0.550 5.077 4.527 -0.001 0.000 0.317 501 F C -2.023 173.837 175.800 0.099 0.000 1.146 501 F CA -1.601 56.441 58.000 0.070 0.000 1.265 501 F CB 0.672 39.691 39.000 0.032 0.000 0.992 501 F HN 0.242 nan 8.300 nan 0.000 0.511 502 P HA -0.035 nan 4.420 nan 0.000 0.249 502 P C 0.617 178.063 177.300 0.244 0.000 1.241 502 P CA 1.003 64.107 63.100 0.007 0.000 0.781 502 P CB -0.093 31.586 31.700 -0.035 0.000 1.088 503 W N -0.518 120.807 121.300 0.042 0.000 3.900 503 W HA 0.028 4.687 4.660 -0.001 0.000 0.186 503 W C 0.504 177.063 176.519 0.066 0.000 1.082 503 W CA 0.663 58.034 57.345 0.042 0.000 1.537 503 W CB 0.017 29.482 29.460 0.008 0.000 0.639 503 W HN -0.108 nan 8.180 nan 0.000 0.912 504 T N -0.681 113.937 114.554 0.106 0.000 3.100 504 T HA 0.346 4.696 4.350 -0.001 0.000 0.253 504 T C 1.165 175.864 174.700 -0.001 0.000 1.118 504 T CA 0.954 63.056 62.100 0.003 0.000 1.058 504 T CB 0.364 69.304 68.868 0.120 0.000 0.953 504 T HN 0.085 nan 8.240 nan 0.000 0.515 505 A N 0.204 123.072 122.820 0.080 0.000 2.600 505 A HA 0.831 5.151 4.320 -0.001 0.000 0.252 505 A C 0.992 178.624 177.584 0.080 0.000 1.200 505 A CA -0.024 52.061 52.037 0.081 0.000 0.981 505 A CB 0.148 19.238 19.000 0.150 0.000 1.207 505 A HN 0.613 nan 8.150 nan 0.000 0.577 506 A N 0.294 123.159 122.820 0.074 0.000 2.302 506 A HA 0.630 4.950 4.320 -0.001 0.000 0.285 506 A C 0.364 177.980 177.584 0.053 0.000 1.105 506 A CA -0.182 51.929 52.037 0.124 0.000 0.816 506 A CB 0.252 19.416 19.000 0.275 0.000 1.067 506 A HN 0.298 nan 8.150 nan 0.000 0.489 507 S N 1.387 117.165 115.700 0.130 0.000 2.510 507 S HA 0.381 4.851 4.470 -0.001 0.000 0.279 507 S C -0.009 174.716 174.600 0.208 0.000 1.284 507 S CA -0.162 58.131 58.200 0.156 0.000 1.059 507 S CB 0.001 63.322 63.200 0.203 0.000 0.901 507 S HN 0.636 nan 8.310 nan 0.000 0.491 508 K N 1.664 122.145 120.400 0.135 0.000 2.509 508 K HA 0.598 4.918 4.320 -0.001 0.000 0.266 508 K C -1.353 175.324 176.600 0.128 0.000 0.987 508 K CA -1.067 55.234 56.287 0.024 0.000 0.868 508 K CB 1.344 33.697 32.500 -0.243 0.000 1.421 508 K HN 0.563 nan 8.250 nan 0.000 0.444 509 Y N -1.512 118.820 120.300 0.053 0.000 2.630 509 Y HA 0.620 5.170 4.550 -0.001 0.000 0.337 509 Y C -0.691 175.284 175.900 0.125 0.000 1.051 509 Y CA -1.021 57.118 58.100 0.065 0.000 1.121 509 Y CB 1.534 39.983 38.460 -0.019 0.000 1.299 509 Y HN 0.750 nan 8.280 nan 0.000 0.498 510 H N 1.757 120.967 119.070 0.233 0.000 2.865 510 H HA 0.627 5.183 4.556 -0.001 0.000 0.362 510 H C -2.393 173.065 175.328 0.216 0.000 1.114 510 H CA -1.184 54.946 56.048 0.137 0.000 1.208 510 H CB 1.617 31.415 29.762 0.059 0.000 1.727 510 H HN 0.886 nan 8.280 nan 0.000 0.534 511 L N 3.502 124.768 121.223 0.071 0.000 2.385 511 L HA 0.236 4.576 4.340 -0.001 0.000 0.273 511 L C 0.543 177.464 176.870 0.085 0.000 0.990 511 L CA -0.849 53.991 54.840 -0.001 0.000 0.821 511 L CB 1.545 43.670 42.059 0.111 0.000 1.279 511 L HN 0.839 nan 8.230 nan 0.000 0.412 512 N N 2.378 121.112 118.700 0.056 0.000 2.741 512 N HA -0.185 4.555 4.740 -0.001 0.000 0.250 512 N C 0.697 176.306 175.510 0.166 0.000 1.115 512 N CA 1.331 54.441 53.050 0.101 0.000 0.724 512 N CB -0.613 37.928 38.487 0.091 0.000 1.090 512 N HN 1.123 nan 8.380 nan 0.000 0.558 513 G N -0.354 108.631 108.800 0.310 0.000 2.176 513 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.252 513 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.252 513 G C -0.146 174.901 174.900 0.244 0.000 1.024 513 G CA 0.525 45.816 45.100 0.319 0.000 0.755 513 G HN 0.722 nan 8.290 nan 0.000 0.507 514 R N 0.495 121.166 120.500 0.284 0.000 2.451 514 R HA 0.370 4.709 4.340 -0.001 0.000 0.307 514 R C -1.136 175.277 176.300 0.190 0.000 0.965 514 R CA -0.841 55.379 56.100 0.201 0.000 0.865 514 R CB 0.763 31.164 30.300 0.169 0.000 1.174 514 R HN 0.088 nan 8.270 nan 0.000 0.455 515 D N 1.754 122.255 120.400 0.168 0.000 2.425 515 D HA 0.134 4.774 4.640 -0.001 0.000 0.247 515 D C -0.710 175.619 176.300 0.048 0.000 1.147 515 D CA 0.807 54.870 54.000 0.104 0.000 0.879 515 D CB 1.492 42.377 40.800 0.141 0.000 1.179 515 D HN 0.374 nan 8.370 nan 0.000 0.456 516 S N 1.526 117.062 115.700 -0.272 0.000 2.571 516 S HA 0.285 4.755 4.470 -0.001 0.000 0.284 516 S C -0.614 173.706 174.600 -0.467 0.000 1.128 516 S CA -0.760 57.202 58.200 -0.396 0.000 0.970 516 S CB 1.800 64.574 63.200 -0.711 0.000 1.039 516 S HN 0.292 nan 8.310 nan 0.000 0.485 517 L N 3.923 125.066 121.223 -0.134 0.000 2.418 517 L HA 0.337 4.677 4.340 -0.001 0.000 0.274 517 L C -0.357 176.474 176.870 -0.065 0.000 1.135 517 L CA 0.109 54.889 54.840 -0.099 0.000 0.870 517 L CB 0.533 42.575 42.059 -0.030 0.000 1.154 517 L HN 0.522 nan 8.230 nan 0.000 0.462 518 V N 6.893 126.840 119.914 0.055 0.000 2.242 518 V HA 0.024 4.143 4.120 -0.001 0.000 0.242 518 V C 1.241 177.424 176.094 0.148 0.000 1.240 518 V CA 0.028 62.444 62.300 0.194 0.000 1.211 518 V CB -0.698 31.281 31.823 0.260 0.000 1.338 518 V HN 0.918 nan 8.190 nan 0.000 0.499 519 N N 6.352 125.072 118.700 0.033 0.000 2.054 519 N HA 0.010 4.750 4.740 -0.001 0.000 0.193 519 N C -1.813 173.837 175.510 0.233 0.000 1.066 519 N CA 0.798 53.862 53.050 0.023 0.000 0.853 519 N CB -0.426 38.033 38.487 -0.047 0.000 1.048 519 N HN 0.367 nan 8.380 nan 0.000 0.431 520 P HA 0.277 nan 4.420 nan 0.000 0.251 520 P C -0.242 177.137 177.300 0.131 0.000 1.718 520 P CA -0.378 62.810 63.100 0.147 0.000 1.119 520 P CB 0.810 32.575 31.700 0.108 0.000 1.762 521 G N 4.637 113.528 108.800 0.152 0.000 2.479 521 G HA2 0.235 4.194 3.960 -0.001 0.000 0.275 521 G HA3 0.235 4.194 3.960 -0.001 0.000 0.275 521 G C -2.250 172.689 174.900 0.066 0.000 1.421 521 G CA -1.198 43.962 45.100 0.100 0.000 1.059 521 G HN 0.216 nan 8.290 nan 0.000 0.535 522 P HA 0.204 nan 4.420 nan 0.000 0.269 522 P C -0.182 177.143 177.300 0.042 0.000 1.205 522 P CA 0.275 63.368 63.100 -0.010 0.000 0.780 522 P CB 0.312 31.972 31.700 -0.067 0.000 0.858 523 A N 3.539 126.387 122.820 0.046 0.000 2.473 523 A HA 0.358 4.678 4.320 -0.001 0.000 0.282 523 A C 0.123 177.760 177.584 0.089 0.000 1.163 523 A CA 0.363 52.458 52.037 0.097 0.000 0.827 523 A CB -0.972 18.114 19.000 0.143 0.000 1.098 523 A HN 0.421 nan 8.150 nan 0.000 0.515 524 M N 2.061 121.719 119.600 0.096 0.000 2.644 524 M HA 0.588 5.067 4.480 -0.001 0.000 0.304 524 M C 0.233 176.587 176.300 0.090 0.000 1.215 524 M CA -0.546 54.807 55.300 0.089 0.000 0.871 524 M CB 2.242 34.892 32.600 0.083 0.000 1.740 524 M HN 0.636 nan 8.290 nan 0.000 0.464 525 A N 0.892 123.754 122.820 0.070 0.000 2.425 525 A HA 0.355 4.675 4.320 -0.001 0.000 0.249 525 A C 0.784 178.412 177.584 0.075 0.000 1.084 525 A CA -0.259 51.809 52.037 0.051 0.000 0.781 525 A CB 0.262 19.265 19.000 0.004 0.000 1.019 525 A HN 0.924 nan 8.150 nan 0.000 0.490 526 S N 0.650 116.416 115.700 0.109 0.000 2.371 526 S HA -0.008 4.462 4.470 -0.001 0.000 0.224 526 S C 0.749 175.512 174.600 0.273 0.000 1.029 526 S CA 1.509 59.840 58.200 0.219 0.000 0.978 526 S CB -0.281 63.120 63.200 0.334 0.000 0.833 526 S HN 0.956 nan 8.310 nan 0.000 0.466 527 H N 0.278 119.416 119.070 0.114 0.000 3.016 527 H HA 0.507 5.063 4.556 -0.001 0.000 0.362 527 H C -1.034 174.344 175.328 0.085 0.000 1.233 527 H CA -1.211 54.907 56.048 0.116 0.000 1.124 527 H CB 0.948 30.808 29.762 0.162 0.000 1.850 527 H HN 0.131 nan 8.280 nan 0.000 0.549 528 K N 0.992 121.454 120.400 0.103 0.000 2.117 528 K HA 0.199 4.519 4.320 -0.001 0.000 0.240 528 K C -0.621 176.034 176.600 0.091 0.000 1.031 528 K CA -0.692 55.614 56.287 0.032 0.000 0.909 528 K CB 0.610 33.131 32.500 0.035 0.000 1.097 528 K HN 0.342 nan 8.250 nan 0.000 0.492 529 D N 1.079 121.511 120.400 0.054 0.000 2.443 529 D HA 0.008 4.647 4.640 -0.001 0.000 0.239 529 D C -0.409 175.963 176.300 0.120 0.000 1.136 529 D CA 0.904 54.953 54.000 0.081 0.000 0.879 529 D CB 0.226 41.052 40.800 0.043 0.000 1.195 529 D HN 0.602 nan 8.370 nan 0.000 0.443 530 D N 1.360 121.842 120.400 0.136 0.000 2.835 530 D HA -0.155 4.484 4.640 -0.001 0.000 0.230 530 D C 0.585 176.970 176.300 0.142 0.000 1.130 530 D CA 0.860 54.930 54.000 0.117 0.000 0.738 530 D CB -0.650 40.199 40.800 0.082 0.000 1.090 530 D HN 0.599 nan 8.370 nan 0.000 0.433 531 E N -0.547 119.772 120.200 0.198 0.000 3.555 531 E HA 0.086 4.435 4.350 -0.001 0.000 0.187 531 E C 0.439 177.063 176.600 0.039 0.000 1.267 531 E CA -0.145 56.370 56.400 0.192 0.000 1.353 531 E CB 0.342 30.242 29.700 0.334 0.000 2.031 531 E HN 0.049 nan 8.360 nan 0.000 0.522 532 E N 0.892 121.004 120.200 -0.146 0.000 2.586 532 E HA -0.257 4.092 4.350 -0.001 0.000 0.259 532 E C 0.261 176.674 176.600 -0.312 0.000 1.107 532 E CA 1.451 57.527 56.400 -0.540 0.000 0.754 532 E CB -1.135 28.457 29.700 -0.179 0.000 1.335 532 E HN 0.391 nan 8.360 nan 0.000 0.411 533 K N -1.821 118.435 120.400 -0.239 0.000 2.574 533 K HA 0.161 4.481 4.320 -0.001 0.000 0.215 533 K C 0.041 176.497 176.600 -0.240 0.000 1.485 533 K CA -0.160 55.969 56.287 -0.263 0.000 1.006 533 K CB 0.206 32.475 32.500 -0.384 0.000 1.254 533 K HN 0.032 nan 8.250 nan 0.000 0.580 534 F N 3.567 123.543 119.950 0.043 0.000 2.390 534 F HA 0.360 4.887 4.527 -0.001 0.000 0.361 534 F C -0.048 175.834 175.800 0.137 0.000 1.124 534 F CA -1.311 56.733 58.000 0.072 0.000 1.149 534 F CB 0.588 39.606 39.000 0.031 0.000 1.160 534 F HN 0.014 nan 8.300 nan 0.000 0.501 535 F N 3.163 123.207 119.950 0.158 0.000 2.470 535 F HA 0.826 5.353 4.527 -0.001 0.000 0.329 535 F C -3.006 172.863 175.800 0.115 0.000 1.072 535 F CA -3.623 54.451 58.000 0.123 0.000 0.989 535 F CB 0.496 39.534 39.000 0.064 0.000 1.193 535 F HN 0.110 nan 8.300 nan 0.000 0.481 536 P HA 0.107 nan 4.420 nan 0.000 0.271 536 P C -0.452 176.723 177.300 -0.208 0.000 1.218 536 P CA -0.425 62.616 63.100 -0.099 0.000 0.780 536 P CB 0.735 32.442 31.700 0.012 0.000 0.901 537 M N 4.985 124.406 119.600 -0.299 0.000 2.734 537 M HA -0.049 4.430 4.480 -0.001 0.000 0.356 537 M C 0.924 176.892 176.300 -0.554 0.000 1.790 537 M CA 0.719 55.829 55.300 -0.316 0.000 1.231 537 M CB -1.299 31.130 32.600 -0.284 0.000 2.102 537 M HN 0.559 nan 8.290 nan 0.000 0.463 538 H N 1.167 120.342 119.070 0.174 0.000 2.690 538 H HA -0.188 4.368 4.556 -0.001 0.000 0.309 538 H C 0.428 175.838 175.328 0.137 0.000 1.138 538 H CA 0.471 56.612 56.048 0.155 0.000 1.142 538 H CB -2.194 27.633 29.762 0.108 0.000 1.410 538 H HN 0.917 nan 8.280 nan 0.000 0.409 539 G N 0.917 109.782 108.800 0.109 0.000 3.262 539 G HA2 0.107 4.066 3.960 -0.001 0.000 0.228 539 G HA3 0.107 4.066 3.960 -0.001 0.000 0.228 539 G C 0.357 175.354 174.900 0.161 0.000 1.197 539 G CA 0.325 45.497 45.100 0.121 0.000 0.819 539 G HN 0.917 nan 8.290 nan 0.000 0.531 540 N N -1.199 117.599 118.700 0.163 0.000 3.322 540 N HA 0.112 4.851 4.740 -0.001 0.000 0.233 540 N C -1.730 173.796 175.510 0.027 0.000 1.399 540 N CA -0.843 52.276 53.050 0.114 0.000 0.894 540 N CB 0.827 39.387 38.487 0.123 0.000 1.440 540 N HN -0.188 nan 8.380 nan 0.000 0.503 541 L N 0.799 121.985 121.223 -0.061 0.000 2.367 541 L HA 0.442 4.782 4.340 -0.001 0.000 0.275 541 L C 0.060 176.664 176.870 -0.444 0.000 1.129 541 L CA 0.130 54.810 54.840 -0.267 0.000 0.839 541 L CB 0.146 42.002 42.059 -0.339 0.000 1.133 541 L HN 0.473 nan 8.230 nan 0.000 0.453 542 I N 3.740 124.042 120.570 -0.447 0.000 2.389 542 I HA 0.343 4.513 4.170 -0.001 0.000 0.288 542 I C -0.663 175.187 176.117 -0.444 0.000 0.999 542 I CA -0.408 60.672 61.300 -0.368 0.000 1.129 542 I CB 1.012 38.900 38.000 -0.187 0.000 1.288 542 I HN 0.308 nan 8.210 nan 0.000 0.444 543 F N 3.084 122.989 119.950 -0.074 0.000 2.422 543 F HA 0.579 5.106 4.527 -0.001 0.000 0.333 543 F C 1.070 176.838 175.800 -0.054 0.000 1.095 543 F CA -0.642 57.327 58.000 -0.052 0.000 1.038 543 F CB 1.655 40.626 39.000 -0.049 0.000 1.156 543 F HN 0.420 nan 8.300 nan 0.000 0.483 544 G N 2.743 111.633 108.800 0.149 0.000 2.353 544 G HA2 0.337 4.297 3.960 -0.001 0.000 0.284 544 G HA3 0.337 4.297 3.960 -0.001 0.000 0.284 544 G C -0.564 174.362 174.900 0.043 0.000 1.172 544 G CA -0.743 44.393 45.100 0.060 0.000 0.854 544 G HN 0.545 nan 8.290 nan 0.000 0.485 545 K N 0.788 121.189 120.400 0.001 0.000 2.286 545 K HA 0.063 4.383 4.320 -0.001 0.000 0.256 545 K C 0.314 176.894 176.600 -0.034 0.000 0.999 545 K CA -0.178 56.088 56.287 -0.035 0.000 0.908 545 K CB 0.651 33.118 32.500 -0.054 0.000 0.981 545 K HN 0.517 nan 8.250 nan 0.000 0.500 546 E N 0.343 120.507 120.200 -0.060 0.000 2.415 546 E HA 0.082 4.431 4.350 -0.001 0.000 0.263 546 E C -0.187 176.390 176.600 -0.037 0.000 0.995 546 E CA 1.086 57.458 56.400 -0.048 0.000 0.915 546 E CB 0.307 29.962 29.700 -0.075 0.000 0.951 546 E HN 0.636 nan 8.360 nan 0.000 0.449 547 G N 3.570 112.358 108.800 -0.019 0.000 2.540 547 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.260 547 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.260 547 G C -0.451 174.438 174.900 -0.019 0.000 0.993 547 G CA 0.254 45.343 45.100 -0.017 0.000 1.327 547 G HN 0.612 nan 8.290 nan 0.000 0.485 548 T N 1.206 115.753 114.554 -0.012 0.000 3.705 548 T HA 0.433 4.783 4.350 -0.001 0.000 0.342 548 T C 0.377 175.071 174.700 -0.009 0.000 1.043 548 T CA -0.104 61.988 62.100 -0.014 0.000 1.071 548 T CB 1.199 70.057 68.868 -0.016 0.000 1.124 548 T HN 0.636 nan 8.240 nan 0.000 0.467 549 T N 2.383 116.930 114.554 -0.011 0.000 2.906 549 T HA 0.211 4.561 4.350 -0.001 0.000 0.329 549 T C 1.632 176.325 174.700 -0.011 0.000 1.091 549 T CA 0.325 62.419 62.100 -0.010 0.000 1.127 549 T CB 0.458 69.318 68.868 -0.013 0.000 1.035 549 T HN 0.758 nan 8.240 nan 0.000 0.547 550 A N 1.958 124.771 122.820 -0.011 0.000 2.206 550 A HA 0.232 4.551 4.320 -0.001 0.000 0.211 550 A C 1.395 178.966 177.584 -0.022 0.000 1.158 550 A CA 0.234 52.263 52.037 -0.014 0.000 0.761 550 A CB 0.186 19.179 19.000 -0.012 0.000 0.801 550 A HN 0.563 nan 8.150 nan 0.000 0.473 551 S N 0.359 116.046 115.700 -0.022 0.000 2.498 551 S HA 0.410 4.879 4.470 -0.001 0.000 0.324 551 S C -0.443 174.142 174.600 -0.025 0.000 1.071 551 S CA -0.672 57.513 58.200 -0.026 0.000 1.113 551 S CB -0.435 62.750 63.200 -0.026 0.000 0.976 551 S HN 0.557 nan 8.310 nan 0.000 0.462 552 N N 2.244 120.928 118.700 -0.027 0.000 2.607 552 N HA -0.201 4.538 4.740 -0.001 0.000 0.285 552 N C -0.332 175.165 175.510 -0.022 0.000 1.151 552 N CA 0.535 53.571 53.050 -0.024 0.000 0.749 552 N CB -0.538 37.934 38.487 -0.024 0.000 0.923 552 N HN 0.657 nan 8.380 nan 0.000 0.552 553 A N 0.792 123.599 122.820 -0.022 0.000 2.252 553 A HA 0.578 4.898 4.320 -0.001 0.000 0.305 553 A C 0.466 178.036 177.584 -0.024 0.000 1.097 553 A CA -0.391 51.632 52.037 -0.022 0.000 0.849 553 A CB 0.768 19.755 19.000 -0.023 0.000 1.142 553 A HN 0.464 nan 8.150 nan 0.000 0.499 554 E N -0.717 119.468 120.200 -0.025 0.000 2.374 554 E HA 0.245 4.594 4.350 -0.001 0.000 0.260 554 E C 0.842 177.422 176.600 -0.034 0.000 1.101 554 E CA -0.269 56.116 56.400 -0.026 0.000 0.907 554 E CB 0.700 30.385 29.700 -0.025 0.000 1.014 554 E HN 0.513 nan 8.360 nan 0.000 0.427 555 L N 2.077 123.280 121.223 -0.034 0.000 2.191 555 L HA -0.067 4.273 4.340 -0.001 0.000 0.212 555 L C 0.688 177.522 176.870 -0.060 0.000 1.103 555 L CA 1.807 56.617 54.840 -0.050 0.000 0.769 555 L CB -0.096 41.939 42.059 -0.039 0.000 0.908 555 L HN 0.521 nan 8.230 nan 0.000 0.438 556 D N -0.703 119.669 120.400 -0.048 0.000 2.328 556 D HA -0.003 4.636 4.640 -0.001 0.000 0.226 556 D C 0.816 177.087 176.300 -0.048 0.000 1.066 556 D CA 0.275 54.246 54.000 -0.049 0.000 0.861 556 D CB -0.018 40.757 40.800 -0.041 0.000 0.912 556 D HN 0.374 nan 8.370 nan 0.000 0.521 557 N N 0.042 118.714 118.700 -0.047 0.000 2.184 557 N HA 0.037 4.776 4.740 -0.001 0.000 0.206 557 N C -0.015 175.470 175.510 -0.041 0.000 1.151 557 N CA 0.057 53.081 53.050 -0.042 0.000 0.878 557 N CB 1.669 40.135 38.487 -0.035 0.000 1.014 557 N HN 0.072 nan 8.380 nan 0.000 0.512 558 V N -2.179 117.704 119.914 -0.051 0.000 3.074 558 V HA 0.660 4.780 4.120 -0.001 0.000 0.314 558 V C -0.411 175.649 176.094 -0.057 0.000 1.117 558 V CA -0.985 61.285 62.300 -0.049 0.000 1.014 558 V CB 2.512 34.295 31.823 -0.066 0.000 1.057 558 V HN -0.181 nan 8.190 nan 0.000 0.438 559 M N 3.280 122.863 119.600 -0.028 0.000 2.043 559 M HA 0.583 5.063 4.480 -0.001 0.000 0.322 559 M C -0.998 175.272 176.300 -0.050 0.000 0.962 559 M CA -0.145 55.145 55.300 -0.017 0.000 0.927 559 M CB 1.532 34.163 32.600 0.051 0.000 1.466 559 M HN 0.560 nan 8.290 nan 0.000 0.412 560 I N 2.601 123.098 120.570 -0.121 0.000 2.365 560 I HA 0.325 4.495 4.170 -0.001 0.000 0.291 560 I C 0.631 176.690 176.117 -0.097 0.000 1.004 560 I CA -0.663 60.533 61.300 -0.174 0.000 1.311 560 I CB 1.460 39.254 38.000 -0.344 0.000 1.401 560 I HN 0.597 nan 8.210 nan 0.000 0.491 561 T N 0.517 115.014 114.554 -0.094 0.000 2.806 561 T HA 0.278 4.628 4.350 -0.001 0.000 0.290 561 T C -0.488 174.254 174.700 0.071 0.000 0.966 561 T CA -0.838 61.224 62.100 -0.064 0.000 1.060 561 T CB 1.605 70.307 68.868 -0.276 0.000 0.927 561 T HN 0.409 nan 8.240 nan 0.000 0.485 562 D N 1.949 122.438 120.400 0.149 0.000 2.329 562 D HA 0.183 4.822 4.640 -0.001 0.000 0.232 562 D C -0.121 176.327 176.300 0.246 0.000 1.088 562 D CA -0.509 53.621 54.000 0.216 0.000 0.835 562 D CB 0.914 41.850 40.800 0.227 0.000 1.078 562 D HN 0.447 nan 8.370 nan 0.000 0.495 563 E N 3.333 123.668 120.200 0.226 0.000 2.360 563 E HA 0.058 4.408 4.350 -0.001 0.000 0.253 563 E C 0.055 176.715 176.600 0.100 0.000 1.189 563 E CA -0.055 56.453 56.400 0.182 0.000 1.252 563 E CB 0.239 30.046 29.700 0.178 0.000 1.408 563 E HN 0.656 nan 8.360 nan 0.000 0.464 564 E N -0.248 119.997 120.200 0.075 0.000 2.569 564 E HA 0.128 4.477 4.350 -0.001 0.000 0.205 564 E C 0.193 176.778 176.600 -0.025 0.000 1.006 564 E CA -0.003 56.375 56.400 -0.036 0.000 0.985 564 E CB 0.303 29.961 29.700 -0.070 0.000 1.060 564 E HN -0.036 nan 8.360 nan 0.000 0.460 565 E N 0.738 120.935 120.200 -0.004 0.000 2.431 565 E HA 0.136 4.485 4.350 -0.001 0.000 0.200 565 E C 1.479 178.070 176.600 -0.016 0.000 0.995 565 E CA 0.237 56.620 56.400 -0.029 0.000 0.915 565 E CB 0.311 29.975 29.700 -0.060 0.000 0.930 565 E HN 0.555 nan 8.360 nan 0.000 0.496 566 I N -1.981 118.592 120.570 0.006 0.000 3.858 566 I HA 0.291 4.460 4.170 -0.001 0.000 0.325 566 I C 1.029 177.169 176.117 0.039 0.000 1.403 566 I CA -0.185 61.137 61.300 0.036 0.000 1.169 566 I CB 0.184 38.214 38.000 0.050 0.000 1.077 566 I HN -0.134 nan 8.210 nan 0.000 0.403 567 R N 1.412 121.919 120.500 0.012 0.000 2.152 567 R HA -0.088 4.251 4.340 -0.001 0.000 0.232 567 R C 2.184 178.489 176.300 0.009 0.000 1.117 567 R CA 1.987 58.085 56.100 -0.004 0.000 0.981 567 R CB -0.368 29.912 30.300 -0.033 0.000 0.870 567 R HN 0.649 nan 8.270 nan 0.000 0.451 568 T N -3.215 111.353 114.554 0.024 0.000 3.067 568 T HA -0.010 4.340 4.350 -0.001 0.000 0.257 568 T C 1.710 176.401 174.700 -0.016 0.000 1.105 568 T CA 1.136 63.240 62.100 0.006 0.000 1.104 568 T CB 0.217 69.095 68.868 0.017 0.000 0.925 568 T HN 0.303 nan 8.240 nan 0.000 0.498 569 T N -1.893 112.669 114.554 0.013 0.000 2.955 569 T HA 0.317 4.666 4.350 -0.001 0.000 0.251 569 T C 0.360 175.113 174.700 0.089 0.000 1.002 569 T CA -0.538 61.574 62.100 0.019 0.000 0.970 569 T CB -0.271 68.599 68.868 0.003 0.000 1.091 569 T HN 0.383 nan 8.240 nan 0.000 0.495 570 N N 2.201 120.952 118.700 0.085 0.000 2.319 570 N HA 0.573 5.312 4.740 -0.001 0.000 0.305 570 N C -3.132 172.422 175.510 0.074 0.000 1.103 570 N CA -2.017 51.096 53.050 0.105 0.000 0.815 570 N CB 2.019 40.573 38.487 0.112 0.000 1.288 570 N HN 0.058 nan 8.380 nan 0.000 0.493 571 P HA 0.054 nan 4.420 nan 0.000 0.272 571 P C -0.672 176.665 177.300 0.063 0.000 1.223 571 P CA -0.376 62.770 63.100 0.077 0.000 0.784 571 P CB 0.616 32.421 31.700 0.174 0.000 0.923 572 V N 1.969 121.905 119.914 0.037 0.000 2.572 572 V HA 0.115 4.234 4.120 -0.001 0.000 0.291 572 V C 1.719 177.839 176.094 0.042 0.000 1.039 572 V CA 0.532 62.852 62.300 0.033 0.000 1.055 572 V CB -0.036 31.796 31.823 0.014 0.000 0.969 572 V HN 0.721 nan 8.190 nan 0.000 0.482 573 A N 4.254 127.105 122.820 0.051 0.000 1.908 573 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 573 A C 2.255 179.844 177.584 0.009 0.000 1.181 573 A CA 2.404 54.468 52.037 0.045 0.000 0.627 573 A CB -0.696 18.340 19.000 0.060 0.000 0.818 573 A HN 1.016 nan 8.150 nan 0.000 0.445 574 T N -2.698 111.855 114.554 -0.002 0.000 3.009 574 T HA 0.073 4.422 4.350 -0.001 0.000 0.258 574 T C 0.815 175.484 174.700 -0.051 0.000 1.063 574 T CA 0.393 62.468 62.100 -0.041 0.000 1.139 574 T CB -0.204 68.632 68.868 -0.053 0.000 0.890 574 T HN 0.392 nan 8.240 nan 0.000 0.471 575 E N 2.373 122.554 120.200 -0.032 0.000 2.397 575 E HA 0.174 4.524 4.350 -0.001 0.000 0.254 575 E C 0.603 177.193 176.600 -0.017 0.000 1.231 575 E CA -0.209 56.170 56.400 -0.036 0.000 0.954 575 E CB 0.475 30.158 29.700 -0.028 0.000 1.024 575 E HN 0.769 nan 8.360 nan 0.000 0.481 576 Q N -0.349 119.441 119.800 -0.016 0.000 2.492 576 Q HA 0.015 4.355 4.340 -0.001 0.000 0.184 576 Q C 0.680 176.725 176.000 0.075 0.000 1.126 576 Q CA -0.035 55.777 55.803 0.015 0.000 1.196 576 Q CB 0.117 28.854 28.738 -0.000 0.000 1.240 576 Q HN 0.610 nan 8.270 nan 0.000 0.651 577 Y N -1.538 118.739 120.300 -0.038 0.000 2.609 577 Y HA 0.429 4.979 4.550 -0.001 0.000 0.281 577 Y C 0.536 176.424 175.900 -0.020 0.000 1.132 577 Y CA 1.081 59.165 58.100 -0.026 0.000 1.264 577 Y CB 1.219 39.663 38.460 -0.027 0.000 1.325 577 Y HN 0.865 nan 8.280 nan 0.000 0.514 578 G N -0.982 107.828 108.800 0.018 0.000 2.399 578 G HA2 0.307 4.266 3.960 -0.001 0.000 0.256 578 G HA3 0.307 4.266 3.960 -0.001 0.000 0.256 578 G C -1.432 173.477 174.900 0.015 0.000 1.236 578 G CA -0.380 44.686 45.100 -0.058 0.000 0.914 578 G HN -0.065 nan 8.290 nan 0.000 0.482 579 T N 0.090 114.646 114.554 0.004 0.000 2.829 579 T HA 0.678 5.027 4.350 -0.001 0.000 0.280 579 T C -0.662 174.055 174.700 0.029 0.000 0.999 579 T CA -0.320 61.787 62.100 0.012 0.000 0.983 579 T CB 1.716 70.581 68.868 -0.005 0.000 0.968 579 T HN 0.831 nan 8.240 nan 0.000 0.446 580 V N 1.678 121.609 119.914 0.028 0.000 2.789 580 V HA 0.804 4.924 4.120 -0.001 0.000 0.311 580 V C 0.110 176.214 176.094 0.017 0.000 1.073 580 V CA -1.305 61.012 62.300 0.029 0.000 0.921 580 V CB 1.826 33.670 31.823 0.035 0.000 1.009 580 V HN 1.089 nan 8.190 nan 0.000 0.426 581 A N 3.056 125.886 122.820 0.017 0.000 2.322 581 A HA 0.704 5.024 4.320 -0.001 0.000 0.269 581 A C 0.412 178.002 177.584 0.010 0.000 1.094 581 A CA -0.304 51.740 52.037 0.012 0.000 0.807 581 A CB 0.173 19.181 19.000 0.014 0.000 1.047 581 A HN 1.093 nan 8.150 nan 0.000 0.487 582 N N 1.197 119.901 118.700 0.006 0.000 2.604 582 N HA 0.125 4.865 4.740 -0.001 0.000 0.284 582 N C -1.237 174.275 175.510 0.003 0.000 1.716 582 N CA -0.405 52.648 53.050 0.004 0.000 0.859 582 N CB 0.114 38.602 38.487 0.002 0.000 1.403 582 N HN 0.743 nan 8.380 nan 0.000 0.501 583 N N -0.249 118.453 118.700 0.004 0.000 3.322 583 N HA 0.146 4.886 4.740 -0.001 0.000 0.233 583 N C -1.741 173.773 175.510 0.005 0.000 1.399 583 N CA -0.580 52.472 53.050 0.004 0.000 0.894 583 N CB 0.602 39.090 38.487 0.002 0.000 1.440 583 N HN 0.049 nan 8.380 nan 0.000 0.503 584 L N 1.556 122.782 121.223 0.005 0.000 2.352 584 L HA 0.247 4.587 4.340 -0.001 0.000 0.272 584 L C 0.403 177.275 176.870 0.005 0.000 1.109 584 L CA -0.846 53.998 54.840 0.006 0.000 0.952 584 L CB 0.229 42.291 42.059 0.006 0.000 1.314 584 L HN 0.622 nan 8.230 nan 0.000 0.427 585 Q N 2.564 122.367 119.800 0.005 0.000 2.386 585 Q HA 0.418 4.758 4.340 -0.001 0.000 0.282 585 Q C -0.001 176.001 176.000 0.003 0.000 1.050 585 Q CA -0.046 55.759 55.803 0.003 0.000 0.918 585 Q CB 1.179 29.919 28.738 0.003 0.000 1.266 585 Q HN 0.586 nan 8.270 nan 0.000 0.423 586 S N 0.132 115.832 115.700 0.000 0.000 2.694 586 S HA 0.340 4.809 4.470 -0.001 0.000 0.273 586 S C 0.408 175.006 174.600 -0.002 0.000 1.180 586 S CA -0.336 57.864 58.200 -0.000 0.000 0.864 586 S CB 0.071 63.271 63.200 0.001 0.000 1.198 586 S HN 0.957 nan 8.310 nan 0.000 0.499 587 S N 1.173 116.871 115.700 -0.003 0.000 2.419 587 S HA -0.105 4.365 4.470 -0.001 0.000 0.233 587 S C 1.188 175.786 174.600 -0.004 0.000 1.016 587 S CA 1.291 59.489 58.200 -0.004 0.000 0.974 587 S CB -0.870 62.328 63.200 -0.004 0.000 0.786 587 S HN 0.639 nan 8.310 nan 0.000 0.492 588 N N 1.218 119.917 118.700 -0.002 0.000 2.395 588 N HA 0.092 4.831 4.740 -0.001 0.000 0.175 588 N C -0.116 175.393 175.510 -0.003 0.000 1.029 588 N CA 0.756 53.805 53.050 -0.002 0.000 0.897 588 N CB 0.043 38.529 38.487 -0.002 0.000 0.991 588 N HN 0.385 nan 8.380 nan 0.000 0.441 589 T N 0.390 114.943 114.554 -0.002 0.000 2.841 589 T HA 0.619 4.969 4.350 -0.001 0.000 0.283 589 T C -0.466 174.232 174.700 -0.003 0.000 1.000 589 T CA -0.746 61.353 62.100 -0.002 0.000 0.977 589 T CB 2.463 71.330 68.868 -0.001 0.000 0.979 589 T HN 0.090 nan 8.240 nan 0.000 0.446 590 A N 4.735 127.553 122.820 -0.003 0.000 2.331 590 A HA 0.673 4.992 4.320 -0.001 0.000 0.283 590 A C -2.241 175.341 177.584 -0.003 0.000 1.142 590 A CA -1.662 50.373 52.037 -0.004 0.000 0.812 590 A CB -0.183 18.814 19.000 -0.005 0.000 1.074 590 A HN 0.557 nan 8.150 nan 0.000 0.497 591 P HA 0.109 nan 4.420 nan 0.000 0.265 591 P C -0.391 176.908 177.300 -0.002 0.000 1.193 591 P CA 0.495 63.594 63.100 -0.001 0.000 0.765 591 P CB 0.419 32.119 31.700 -0.000 0.000 0.823 592 T N 2.245 116.798 114.554 -0.001 0.000 2.855 592 T HA 0.419 4.769 4.350 -0.001 0.000 0.281 592 T C 0.029 174.729 174.700 -0.001 0.000 1.007 592 T CA -0.280 61.819 62.100 -0.002 0.000 1.009 592 T CB 1.186 70.052 68.868 -0.003 0.000 0.983 592 T HN 0.232 nan 8.240 nan 0.000 0.455 593 T N 3.113 117.665 114.554 -0.003 0.000 2.856 593 T HA 0.558 4.907 4.350 -0.001 0.000 0.283 593 T C -0.478 174.220 174.700 -0.004 0.000 1.008 593 T CA -0.767 61.332 62.100 -0.002 0.000 0.997 593 T CB 1.088 69.953 68.868 -0.004 0.000 0.992 593 T HN 0.266 nan 8.240 nan 0.000 0.454 594 R N 2.133 122.633 120.500 -0.000 0.000 2.480 594 R HA 0.363 4.703 4.340 -0.001 0.000 0.306 594 R C -0.931 175.370 176.300 0.003 0.000 0.958 594 R CA -0.472 55.627 56.100 -0.002 0.000 0.861 594 R CB 1.381 31.681 30.300 -0.000 0.000 1.171 594 R HN 0.616 nan 8.270 nan 0.000 0.445 595 T N 3.675 118.226 114.554 -0.005 0.000 2.738 595 T HA 0.054 4.404 4.350 -0.001 0.000 0.293 595 T C 0.042 174.745 174.700 0.006 0.000 0.913 595 T CA -0.056 62.043 62.100 -0.001 0.000 1.103 595 T CB 0.543 69.402 68.868 -0.016 0.000 0.880 595 T HN 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.474 125.410 119.914 0.038 0.000 2.455 596 V HA 0.222 4.341 4.120 -0.001 0.000 0.273 596 V C 0.568 176.682 176.094 0.032 0.000 1.045 596 V CA -0.159 62.167 62.300 0.043 0.000 0.976 596 V CB 0.441 32.328 31.823 0.106 0.000 0.993 596 V HN 0.804 nan 8.190 nan 0.000 0.475 597 N N 4.345 123.024 118.700 -0.034 0.000 2.294 597 N HA 0.158 4.897 4.740 -0.001 0.000 0.186 597 N C -0.426 175.004 175.510 -0.133 0.000 1.107 597 N CA 0.185 53.190 53.050 -0.076 0.000 0.884 597 N CB 0.599 39.020 38.487 -0.110 0.000 1.030 597 N HN 0.809 nan 8.380 nan 0.000 0.482 598 D N 0.589 120.908 120.400 -0.135 0.000 2.855 598 D HA 0.195 4.834 4.640 -0.001 0.000 0.241 598 D C -1.508 174.677 176.300 -0.191 0.000 1.277 598 D CA -0.364 53.548 54.000 -0.148 0.000 0.918 598 D CB 1.421 42.157 40.800 -0.108 0.000 1.462 598 D HN -0.256 nan 8.370 nan 0.000 0.559 599 Q N 2.738 122.363 119.800 -0.292 0.000 2.309 599 Q HA 0.653 4.992 4.340 -0.001 0.000 0.270 599 Q C 0.099 175.920 176.000 -0.298 0.000 1.023 599 Q CA -0.740 54.815 55.803 -0.413 0.000 0.758 599 Q CB 1.635 29.787 28.738 -0.977 0.000 1.247 599 Q HN 0.525 nan 8.270 nan 0.000 0.455 600 G N 2.072 110.740 108.800 -0.220 0.000 2.479 600 G HA2 0.464 4.424 3.960 -0.001 0.000 0.275 600 G HA3 0.464 4.424 3.960 -0.001 0.000 0.275 600 G C -0.478 174.275 174.900 -0.244 0.000 1.421 600 G CA -0.092 44.875 45.100 -0.222 0.000 1.059 600 G HN 0.828 nan 8.290 nan 0.000 0.535 601 A N -1.509 121.157 122.820 -0.257 0.000 2.304 601 A HA 0.715 5.035 4.320 -0.001 0.000 0.271 601 A C -0.406 177.156 177.584 -0.037 0.000 1.091 601 A CA -0.218 51.706 52.037 -0.189 0.000 0.812 601 A CB 0.497 19.332 19.000 -0.274 0.000 1.056 601 A HN 0.574 nan 8.150 nan 0.000 0.489 602 L N 0.889 122.153 121.223 0.068 0.000 2.482 602 L HA 0.361 4.701 4.340 -0.001 0.000 0.263 602 L C -2.587 174.387 176.870 0.173 0.000 0.957 602 L CA -1.848 53.055 54.840 0.105 0.000 0.836 602 L CB 2.644 44.762 42.059 0.098 0.000 1.324 602 L HN 0.429 nan 8.230 nan 0.000 0.406 603 P HA 0.164 nan 4.420 nan 0.000 0.259 603 P C 0.672 178.079 177.300 0.179 0.000 1.211 603 P CA 0.685 63.883 63.100 0.163 0.000 0.810 603 P CB 0.454 32.222 31.700 0.113 0.000 0.815 604 G N 2.365 111.317 108.800 0.254 0.000 2.227 604 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.168 604 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.168 604 G C 0.132 175.267 174.900 0.391 0.000 1.006 604 G CA -0.604 44.693 45.100 0.329 0.000 0.684 604 G HN 0.398 nan 8.290 nan 0.000 0.489 605 M N 1.336 121.145 119.600 0.347 0.000 2.233 605 M HA 0.521 5.001 4.480 -0.001 0.000 0.350 605 M C 0.471 177.002 176.300 0.386 0.000 1.176 605 M CA -0.210 55.318 55.300 0.380 0.000 1.150 605 M CB 1.541 34.378 32.600 0.395 0.000 1.530 605 M HN 0.481 nan 8.290 nan 0.000 0.459 606 V N 0.853 120.951 119.914 0.307 0.000 2.686 606 V HA 0.835 4.954 4.120 -0.001 0.000 0.306 606 V C -1.609 174.607 176.094 0.203 0.000 1.065 606 V CA -0.680 61.667 62.300 0.078 0.000 0.894 606 V CB 1.207 32.939 31.823 -0.151 0.000 1.004 606 V HN 1.076 nan 8.190 nan 0.000 0.424 607 W N 2.457 123.734 121.300 -0.038 0.000 3.029 607 W HA 0.887 5.546 4.660 -0.001 0.000 0.339 607 W C -1.018 175.480 176.519 -0.034 0.000 1.198 607 W CA -1.064 56.263 57.345 -0.031 0.000 1.148 607 W CB 1.775 31.223 29.460 -0.020 0.000 1.451 607 W HN 0.685 nan 8.180 nan 0.000 0.564 608 Q N 1.966 121.872 119.800 0.176 0.000 2.274 608 Q HA 0.309 4.648 4.340 -0.001 0.000 0.260 608 Q C -0.403 175.717 176.000 0.199 0.000 0.974 608 Q CA -0.266 55.583 55.803 0.076 0.000 0.876 608 Q CB 1.327 30.093 28.738 0.046 0.000 1.297 608 Q HN 0.410 nan 8.270 nan 0.000 0.446 609 D N 1.057 121.541 120.400 0.142 0.000 2.414 609 D HA 0.205 4.844 4.640 -0.001 0.000 0.259 609 D C 0.484 176.873 176.300 0.149 0.000 1.269 609 D CA -0.193 53.934 54.000 0.211 0.000 1.028 609 D CB 0.604 41.539 40.800 0.225 0.000 1.093 609 D HN 0.464 nan 8.370 nan 0.000 0.545 610 R N -0.302 120.303 120.500 0.175 0.000 3.213 610 R HA 0.246 4.586 4.340 -0.001 0.000 0.188 610 R C -0.267 176.141 176.300 0.181 0.000 0.931 610 R CA 0.077 56.281 56.100 0.172 0.000 1.218 610 R CB 0.026 30.440 30.300 0.190 0.000 0.742 610 R HN 0.424 nan 8.270 nan 0.000 0.484 611 D N -0.840 119.657 120.400 0.161 0.000 2.581 611 D HA 0.317 4.957 4.640 -0.001 0.000 0.232 611 D C -1.631 174.555 176.300 -0.189 0.000 1.143 611 D CA -0.557 53.458 54.000 0.025 0.000 0.881 611 D CB 1.983 42.684 40.800 -0.166 0.000 1.500 611 D HN 0.244 nan 8.370 nan 0.000 0.458 612 V N 0.162 119.831 119.914 -0.408 0.000 2.483 612 V HA 0.693 4.813 4.120 -0.001 0.000 0.295 612 V C -1.079 174.840 176.094 -0.292 0.000 1.035 612 V CA -0.490 61.660 62.300 -0.251 0.000 0.896 612 V CB 0.757 32.395 31.823 -0.308 0.000 0.986 612 V HN 0.439 nan 8.190 nan 0.000 0.447 613 Y N 2.726 123.134 120.300 0.179 0.000 2.549 613 Y HA 0.580 5.130 4.550 -0.001 0.000 0.339 613 Y C 0.858 176.587 175.900 -0.285 0.000 1.053 613 Y CA -1.078 57.078 58.100 0.094 0.000 1.105 613 Y CB 1.514 40.061 38.460 0.144 0.000 1.258 613 Y HN 0.587 nan 8.280 nan 0.000 0.478 614 L N 1.411 122.283 121.223 -0.585 0.000 2.151 614 L HA -0.243 4.096 4.340 -0.001 0.000 0.215 614 L C 1.710 178.360 176.870 -0.366 0.000 1.084 614 L CA 2.052 56.192 54.840 -1.166 0.000 0.764 614 L CB -0.438 41.006 42.059 -1.026 0.000 0.891 614 L HN 0.826 nan 8.230 nan 0.000 0.435 615 Q N -1.388 118.300 119.800 -0.187 0.000 2.179 615 Q HA 0.304 4.644 4.340 -0.001 0.000 0.213 615 Q C 0.663 176.682 176.000 0.032 0.000 0.833 615 Q CA 0.375 56.167 55.803 -0.020 0.000 0.990 615 Q CB -0.303 28.283 28.738 -0.254 0.000 1.132 615 Q HN 0.363 nan 8.270 nan 0.000 0.493 616 G N 2.279 111.235 108.800 0.259 0.000 2.547 616 G HA2 0.478 4.438 3.960 -0.001 0.000 0.291 616 G HA3 0.478 4.438 3.960 -0.001 0.000 0.291 616 G C -2.716 172.375 174.900 0.320 0.000 1.211 616 G CA -1.252 44.139 45.100 0.486 0.000 0.950 616 G HN 0.059 nan 8.290 nan 0.000 0.504 617 P HA 0.184 nan 4.420 nan 0.000 0.270 617 P C 0.433 177.699 177.300 -0.057 0.000 1.223 617 P CA -0.152 62.949 63.100 0.003 0.000 0.785 617 P CB 1.011 32.722 31.700 0.019 0.000 0.923 618 I N -1.062 119.335 120.570 -0.287 0.000 2.900 618 I HA 0.182 4.352 4.170 -0.001 0.000 0.251 618 I C 0.677 176.981 176.117 0.312 0.000 1.102 618 I CA 0.553 61.746 61.300 -0.179 0.000 1.457 618 I CB -0.297 37.644 38.000 -0.099 0.000 1.285 618 I HN 0.445 nan 8.210 nan 0.000 0.459 619 W N 1.052 122.470 121.300 0.197 0.000 3.207 619 W HA 0.827 5.487 4.660 -0.000 0.000 0.326 619 W C -1.200 175.431 176.519 0.187 0.000 1.190 619 W CA -1.217 56.281 57.345 0.254 0.000 1.011 619 W CB 0.822 30.472 29.460 0.317 0.000 1.511 619 W HN -0.068 nan 8.180 nan 0.000 0.606 620 A N 1.326 124.426 122.820 0.468 0.000 2.555 620 A HA 0.450 4.770 4.320 -0.001 0.000 0.297 620 A C -1.555 176.175 177.584 0.242 0.000 1.060 620 A CA -1.091 51.118 52.037 0.288 0.000 0.710 620 A CB 1.471 20.567 19.000 0.159 0.000 1.282 620 A HN 0.699 nan 8.150 nan 0.000 0.399 621 K N 3.539 124.030 120.400 0.151 0.000 2.315 621 K HA 0.365 4.685 4.320 -0.001 0.000 0.291 621 K C -0.483 176.067 176.600 -0.085 0.000 1.074 621 K CA -0.273 55.943 56.287 -0.119 0.000 0.936 621 K CB -0.237 31.975 32.500 -0.481 0.000 1.049 621 K HN 0.615 nan 8.250 nan 0.000 0.471 622 I N 7.579 128.073 120.570 -0.125 0.000 2.742 622 I HA -0.043 4.127 4.170 -0.001 0.000 0.287 622 I C -1.780 174.249 176.117 -0.147 0.000 1.186 622 I CA -1.576 59.627 61.300 -0.160 0.000 1.417 622 I CB 0.097 37.923 38.000 -0.291 0.000 1.377 622 I HN 0.473 nan 8.210 nan 0.000 0.556 623 P HA -0.094 nan 4.420 nan 0.000 0.265 623 P C -0.541 176.821 177.300 0.103 0.000 1.187 623 P CA 0.166 63.293 63.100 0.046 0.000 0.766 623 P CB 0.282 32.036 31.700 0.090 0.000 0.820 624 H N 1.784 120.873 119.070 0.032 0.000 2.982 624 H HA 0.270 4.826 4.556 -0.001 0.000 0.261 624 H C 0.252 175.635 175.328 0.092 0.000 1.603 624 H CA 0.012 56.096 56.048 0.060 0.000 1.398 624 H CB -0.543 29.220 29.762 0.001 0.000 1.693 624 H HN 0.322 nan 8.280 nan 0.000 0.535 625 T N -0.673 113.892 114.554 0.018 0.000 2.870 625 T HA 0.148 4.497 4.350 -0.001 0.000 0.277 625 T C 1.004 175.560 174.700 -0.239 0.000 1.000 625 T CA -0.900 61.161 62.100 -0.065 0.000 0.982 625 T CB 1.172 70.018 68.868 -0.037 0.000 1.249 625 T HN 0.232 nan 8.240 nan 0.000 0.589 626 D N 0.418 120.706 120.400 -0.188 0.000 2.224 626 D HA 0.199 4.839 4.640 -0.001 0.000 0.205 626 D C 0.879 176.994 176.300 -0.309 0.000 0.965 626 D CA 1.099 54.982 54.000 -0.195 0.000 0.852 626 D CB -0.167 40.571 40.800 -0.103 0.000 0.947 626 D HN 0.826 nan 8.370 nan 0.000 0.494 627 G N -0.643 107.891 108.800 -0.442 0.000 2.746 627 G HA2 0.496 4.456 3.960 -0.001 0.000 0.297 627 G HA3 0.496 4.456 3.960 -0.001 0.000 0.297 627 G C -1.339 173.205 174.900 -0.593 0.000 1.426 627 G CA -0.687 44.126 45.100 -0.478 0.000 0.989 627 G HN 0.027 nan 8.290 nan 0.000 0.520 628 H N 1.323 120.406 119.070 0.021 0.000 2.928 628 H HA 0.512 5.067 4.556 -0.001 0.000 0.371 628 H C -0.430 174.978 175.328 0.133 0.000 1.186 628 H CA -0.684 55.398 56.048 0.057 0.000 1.134 628 H CB 2.524 32.294 29.762 0.013 0.000 1.824 628 H HN 0.409 nan 8.280 nan 0.000 0.554 629 F N 0.850 120.893 119.950 0.154 0.000 2.324 629 F HA 0.092 4.619 4.527 -0.001 0.000 0.260 629 F C 0.831 176.768 175.800 0.227 0.000 1.073 629 F CA 0.692 58.782 58.000 0.150 0.000 1.073 629 F CB 0.343 39.406 39.000 0.106 0.000 1.114 629 F HN 0.514 nan 8.300 nan 0.000 0.588 630 H N 1.956 121.037 119.070 0.019 0.000 2.439 630 H HA 0.345 4.901 4.556 -0.001 0.000 0.239 630 H C -2.384 173.026 175.328 0.138 0.000 1.432 630 H CA -2.148 53.891 56.048 -0.015 0.000 1.373 630 H CB 0.237 30.110 29.762 0.185 0.000 1.463 630 H HN 0.068 nan 8.280 nan 0.000 0.530 631 P HA -0.009 nan 4.420 nan 0.000 0.235 631 P C -0.382 176.914 177.300 -0.007 0.000 1.670 631 P CA 0.323 63.415 63.100 -0.013 0.000 1.017 631 P CB -0.335 31.288 31.700 -0.127 0.000 1.945 632 S N 1.902 117.666 115.700 0.108 0.000 2.437 632 S HA 0.503 4.973 4.470 -0.001 0.000 0.305 632 S C -2.500 172.191 174.600 0.152 0.000 1.109 632 S CA -2.108 56.179 58.200 0.146 0.000 1.099 632 S CB 0.272 63.633 63.200 0.267 0.000 1.004 632 S HN -0.026 nan 8.310 nan 0.000 0.475 633 P HA 0.033 nan 4.420 nan 0.000 0.258 633 P C 0.720 178.092 177.300 0.120 0.000 1.172 633 P CA 0.205 63.373 63.100 0.113 0.000 0.762 633 P CB 0.281 32.048 31.700 0.112 0.000 0.764 634 L N 2.440 123.727 121.223 0.107 0.000 2.127 634 L HA -0.166 4.173 4.340 -0.001 0.000 0.211 634 L C 2.065 179.003 176.870 0.112 0.000 1.089 634 L CA 1.567 56.471 54.840 0.107 0.000 0.757 634 L CB -0.415 41.693 42.059 0.082 0.000 0.899 634 L HN 0.489 nan 8.230 nan 0.000 0.434 635 M N -0.861 118.800 119.600 0.103 0.000 2.619 635 M HA 0.140 4.620 4.480 -0.001 0.000 0.251 635 M C 0.726 177.113 176.300 0.144 0.000 1.106 635 M CA 0.503 55.868 55.300 0.109 0.000 1.086 635 M CB -0.017 32.631 32.600 0.080 0.000 1.465 635 M HN 0.335 nan 8.290 nan 0.000 0.506 636 G N -0.140 108.739 108.800 0.131 0.000 2.674 636 G HA2 0.291 4.251 3.960 -0.001 0.000 0.686 636 G HA3 0.291 4.251 3.960 -0.001 0.000 0.686 636 G C -0.366 174.578 174.900 0.074 0.000 1.195 636 G CA -0.628 44.543 45.100 0.119 0.000 0.776 636 G HN 0.732 nan 8.290 nan 0.000 0.654 637 G N -0.546 108.228 108.800 -0.043 0.000 2.297 637 G HA2 0.451 4.411 3.960 -0.001 0.000 0.209 637 G HA3 0.451 4.411 3.960 -0.001 0.000 0.209 637 G C -0.650 174.078 174.900 -0.287 0.000 1.267 637 G CA -0.081 44.904 45.100 -0.191 0.000 1.127 637 G HN 1.624 nan 8.290 nan 0.000 0.498 638 F N 1.966 122.056 119.950 0.234 0.000 2.388 638 F HA 0.568 5.095 4.527 -0.001 0.000 0.358 638 F C 1.131 177.043 175.800 0.187 0.000 1.122 638 F CA 0.069 58.179 58.000 0.185 0.000 1.056 638 F CB 2.016 41.115 39.000 0.166 0.000 1.155 638 F HN 0.712 nan 8.300 nan 0.000 0.461 639 G N 5.181 114.136 108.800 0.258 0.000 2.360 639 G HA2 0.515 4.474 3.960 -0.001 0.000 0.279 639 G HA3 0.515 4.474 3.960 -0.001 0.000 0.279 639 G C -0.820 174.150 174.900 0.117 0.000 1.189 639 G CA -0.416 44.775 45.100 0.151 0.000 0.941 639 G HN 0.579 nan 8.290 nan 0.000 0.445 640 L N 3.119 124.402 121.223 0.101 0.000 2.356 640 L HA 0.360 4.699 4.340 -0.001 0.000 0.277 640 L C 1.157 177.947 176.870 -0.133 0.000 0.996 640 L CA -1.114 53.749 54.840 0.038 0.000 0.822 640 L CB 2.217 44.351 42.059 0.125 0.000 1.256 640 L HN 0.424 nan 8.230 nan 0.000 0.413 641 K N 1.037 121.312 120.400 -0.208 0.000 2.026 641 K HA -0.035 4.285 4.320 -0.001 0.000 0.208 641 K C 0.323 176.468 176.600 -0.759 0.000 1.048 641 K CA 1.352 57.358 56.287 -0.468 0.000 0.929 641 K CB 0.044 32.267 32.500 -0.461 0.000 0.713 641 K HN 0.540 nan 8.250 nan 0.000 0.439 642 H N 0.581 119.526 119.070 -0.208 0.000 2.645 642 H HA 0.312 4.867 4.556 -0.001 0.000 0.257 642 H C -2.413 172.916 175.328 0.001 0.000 1.269 642 H CA -2.229 53.667 56.048 -0.253 0.000 1.409 642 H CB 1.154 30.914 29.762 -0.003 0.000 1.434 642 H HN 0.058 nan 8.280 nan 0.000 0.505 643 P HA 0.195 nan 4.420 nan 0.000 0.281 643 P C -2.647 174.447 177.300 -0.343 0.000 1.264 643 P CA -2.156 60.842 63.100 -0.171 0.000 0.824 643 P CB 0.268 31.894 31.700 -0.124 0.000 1.092 644 P HA -0.031 nan 4.420 nan 0.000 0.251 644 P C -2.006 175.098 177.300 -0.327 0.000 1.154 644 P CA -0.083 62.317 63.100 -1.166 0.000 0.805 644 P CB -1.280 29.734 31.700 -1.144 0.000 0.759 645 P HA -0.073 nan 4.420 nan 0.000 0.270 645 P C -0.307 176.863 177.300 -0.218 0.000 1.221 645 P CA 0.293 63.287 63.100 -0.176 0.000 0.788 645 P CB 0.656 32.128 31.700 -0.379 0.000 0.904 646 Q N 0.504 120.147 119.800 -0.261 0.000 2.286 646 Q HA 0.344 4.683 4.340 -0.001 0.000 0.257 646 Q C -0.457 175.202 176.000 -0.568 0.000 0.941 646 Q CA -0.386 55.174 55.803 -0.404 0.000 0.912 646 Q CB 0.291 28.742 28.738 -0.479 0.000 1.192 646 Q HN 0.314 nan 8.270 nan 0.000 0.410 647 I N 3.113 123.382 120.570 -0.500 0.000 2.307 647 I HA 0.199 4.368 4.170 -0.001 0.000 0.289 647 I C -0.418 175.453 176.117 -0.410 0.000 1.021 647 I CA -0.147 60.812 61.300 -0.569 0.000 1.224 647 I CB 0.804 38.402 38.000 -0.669 0.000 1.376 647 I HN 0.499 nan 8.210 nan 0.000 0.470 648 M N 6.646 125.838 119.600 -0.680 0.000 2.359 648 M HA 0.610 5.090 4.480 -0.001 0.000 0.322 648 M C -0.740 175.525 176.300 -0.058 0.000 1.166 648 M CA -0.357 54.660 55.300 -0.471 0.000 1.067 648 M CB 1.443 33.415 32.600 -1.048 0.000 1.523 648 M HN 0.494 nan 8.290 nan 0.000 0.467 649 I N 2.252 122.957 120.570 0.224 0.000 2.775 649 I HA 0.684 4.854 4.170 -0.001 0.000 0.295 649 I C -1.845 174.302 176.117 0.050 0.000 1.287 649 I CA -0.235 61.149 61.300 0.139 0.000 1.029 649 I CB 1.696 39.659 38.000 -0.063 0.000 1.282 649 I HN 0.683 nan 8.210 nan 0.000 0.426 650 K N 3.457 123.735 120.400 -0.203 0.000 2.598 650 K HA 0.548 4.868 4.320 -0.001 0.000 0.271 650 K C -2.010 174.413 176.600 -0.295 0.000 0.947 650 K CA -0.698 55.338 56.287 -0.420 0.000 0.854 650 K CB 0.610 32.427 32.500 -1.138 0.000 1.401 650 K HN 0.326 nan 8.250 nan 0.000 0.415 651 N N 1.190 119.782 118.700 -0.179 0.000 2.442 651 N HA 0.177 4.916 4.740 -0.001 0.000 0.265 651 N C -0.870 174.564 175.510 -0.128 0.000 1.138 651 N CA -0.315 52.681 53.050 -0.090 0.000 0.956 651 N CB 1.086 39.568 38.487 -0.009 0.000 1.067 651 N HN 0.655 nan 8.380 nan 0.000 0.474 652 T N 4.072 118.553 114.554 -0.122 0.000 2.829 652 T HA 0.100 4.450 4.350 -0.001 0.000 0.293 652 T C -2.187 172.392 174.700 -0.203 0.000 0.970 652 T CA -0.594 61.415 62.100 -0.151 0.000 1.168 652 T CB 0.076 68.890 68.868 -0.090 0.000 0.911 652 T HN 0.284 nan 8.240 nan 0.000 0.535 653 P HA 0.138 nan 4.420 nan 0.000 0.263 653 P C -0.822 176.258 177.300 -0.367 0.000 1.195 653 P CA -0.144 62.493 63.100 -0.772 0.000 0.762 653 P CB 0.382 31.421 31.700 -1.101 0.000 0.799 654 V N 7.239 127.037 119.914 -0.193 0.000 2.334 654 V HA 0.267 4.386 4.120 -0.001 0.000 0.281 654 V C -2.112 174.112 176.094 0.217 0.000 1.016 654 V CA -2.158 60.148 62.300 0.011 0.000 0.832 654 V CB 1.464 33.303 31.823 0.027 0.000 0.999 654 V HN 0.455 nan 8.190 nan 0.000 0.439 655 P HA 0.139 nan 4.420 nan 0.000 0.263 655 P C 0.236 177.627 177.300 0.151 0.000 1.195 655 P CA 0.457 63.625 63.100 0.114 0.000 0.762 655 P CB 0.688 32.201 31.700 -0.310 0.000 0.799 656 A N 4.366 127.317 122.820 0.218 0.000 2.404 656 A HA 0.035 4.355 4.320 -0.001 0.000 0.258 656 A C 0.724 178.401 177.584 0.155 0.000 1.644 656 A CA -0.055 52.075 52.037 0.155 0.000 0.847 656 A CB -0.349 18.720 19.000 0.114 0.000 1.473 656 A HN 0.596 nan 8.150 nan 0.000 0.602 657 N N 0.804 119.567 118.700 0.105 0.000 2.470 657 N HA 0.299 5.039 4.740 -0.001 0.000 0.268 657 N C -2.605 172.974 175.510 0.115 0.000 1.136 657 N CA -0.882 52.223 53.050 0.091 0.000 0.961 657 N CB 0.309 38.825 38.487 0.048 0.000 1.067 657 N HN 0.236 nan 8.380 nan 0.000 0.468 658 P HA 0.487 nan 4.420 nan 0.000 0.287 658 P C -2.632 174.714 177.300 0.077 0.000 1.270 658 P CA -1.252 61.949 63.100 0.169 0.000 0.844 658 P CB 0.288 32.121 31.700 0.221 0.000 1.068 659 P HA 0.230 nan 4.420 nan 0.000 0.277 659 P C 0.531 177.862 177.300 0.052 0.000 1.240 659 P CA -0.204 62.910 63.100 0.023 0.000 0.798 659 P CB 0.334 32.025 31.700 -0.015 0.000 0.979 660 T N -1.232 113.347 114.554 0.042 0.000 3.035 660 T HA -0.028 4.322 4.350 -0.001 0.000 0.268 660 T C 0.911 175.652 174.700 0.068 0.000 1.109 660 T CA 1.243 63.374 62.100 0.052 0.000 1.119 660 T CB -0.204 68.686 68.868 0.037 0.000 0.900 660 T HN 0.477 nan 8.240 nan 0.000 0.503 661 T N 1.030 115.622 114.554 0.063 0.000 2.867 661 T HA 0.485 4.835 4.350 -0.001 0.000 0.282 661 T C -0.739 174.034 174.700 0.123 0.000 1.000 661 T CA -0.972 61.180 62.100 0.087 0.000 1.042 661 T CB 0.255 69.154 68.868 0.051 0.000 0.973 661 T HN 0.132 nan 8.240 nan 0.000 0.465 662 F N 4.257 124.219 119.950 0.021 0.000 2.484 662 F HA 0.493 5.020 4.527 -0.001 0.000 0.360 662 F C 0.332 176.146 175.800 0.023 0.000 1.101 662 F CA -0.045 57.972 58.000 0.029 0.000 1.251 662 F CB 0.641 39.658 39.000 0.029 0.000 1.132 662 F HN 0.447 nan 8.300 nan 0.000 0.570 663 S N 6.932 122.126 115.700 -0.843 0.000 2.605 663 S HA 0.509 4.979 4.470 -0.001 0.000 0.308 663 S C -1.903 172.143 174.600 -0.923 0.000 1.113 663 S CA -1.283 56.498 58.200 -0.699 0.000 1.049 663 S CB 1.406 64.404 63.200 -0.337 0.000 1.001 663 S HN 0.532 nan 8.310 nan 0.000 0.480 664 P HA 0.224 nan 4.420 nan 0.000 0.236 664 P C 0.166 177.374 177.300 -0.154 0.000 1.177 664 P CA 0.149 63.049 63.100 -0.332 0.000 0.773 664 P CB -0.041 31.591 31.700 -0.113 0.000 0.878 665 A N 0.909 123.627 122.820 -0.170 0.000 2.531 665 A HA 0.028 4.348 4.320 -0.001 0.000 0.236 665 A C 0.579 178.131 177.584 -0.053 0.000 1.062 665 A CA -0.211 51.766 52.037 -0.100 0.000 0.760 665 A CB -0.304 18.620 19.000 -0.127 0.000 0.995 665 A HN 0.066 nan 8.150 nan 0.000 0.501 666 K N 1.662 122.063 120.400 0.003 0.000 2.524 666 K HA 0.017 4.336 4.320 -0.001 0.000 0.279 666 K C -0.824 175.809 176.600 0.056 0.000 0.993 666 K CA 0.234 56.566 56.287 0.074 0.000 1.030 666 K CB 0.057 32.613 32.500 0.092 0.000 0.891 666 K HN 0.497 nan 8.250 nan 0.000 0.488 667 F N 2.984 122.936 119.950 0.003 0.000 2.456 667 F HA 0.244 4.771 4.527 -0.001 0.000 0.358 667 F C 0.707 176.422 175.800 -0.141 0.000 1.095 667 F CA 0.764 58.704 58.000 -0.099 0.000 1.216 667 F CB 1.213 40.167 39.000 -0.078 0.000 1.125 667 F HN 0.681 nan 8.300 nan 0.000 0.549 668 A N 3.070 125.685 122.820 -0.342 0.000 2.704 668 A HA 0.181 4.501 4.320 -0.001 0.000 0.260 668 A C 0.128 177.474 177.584 -0.396 0.000 1.144 668 A CA 0.025 51.943 52.037 -0.198 0.000 0.985 668 A CB -0.124 18.862 19.000 -0.024 0.000 1.256 668 A HN 0.480 nan 8.150 nan 0.000 0.598 669 S N 0.713 116.008 115.700 -0.675 0.000 2.466 669 S HA 0.713 5.182 4.470 -0.001 0.000 0.313 669 S C -0.952 173.453 174.600 -0.325 0.000 1.078 669 S CA -0.338 57.626 58.200 -0.393 0.000 1.115 669 S CB -0.541 62.449 63.200 -0.350 0.000 1.006 669 S HN 0.202 nan 8.310 nan 0.000 0.487 670 F N 3.051 123.129 119.950 0.213 0.000 2.556 670 F HA 0.571 5.098 4.527 -0.001 0.000 0.327 670 F C 0.440 176.327 175.800 0.146 0.000 1.059 670 F CA -1.277 56.840 58.000 0.195 0.000 0.953 670 F CB 1.195 40.320 39.000 0.208 0.000 1.227 670 F HN 0.283 nan 8.300 nan 0.000 0.478 671 I N 1.502 122.265 120.570 0.322 0.000 2.471 671 I HA 0.113 4.282 4.170 -0.001 0.000 0.286 671 I C 0.349 176.590 176.117 0.207 0.000 1.079 671 I CA -0.359 61.061 61.300 0.200 0.000 1.398 671 I CB 0.910 38.991 38.000 0.135 0.000 1.403 671 I HN 0.604 nan 8.210 nan 0.000 0.530 672 T N 4.489 119.137 114.554 0.157 0.000 2.814 672 T HA 0.396 4.746 4.350 -0.001 0.000 0.297 672 T C -0.381 174.390 174.700 0.118 0.000 0.956 672 T CA -0.640 61.540 62.100 0.132 0.000 1.123 672 T CB 0.770 69.695 68.868 0.094 0.000 0.902 672 T HN 0.732 nan 8.240 nan 0.000 0.528 673 Q N 2.303 122.174 119.800 0.119 0.000 2.472 673 Q HA 0.563 4.903 4.340 -0.001 0.000 0.281 673 Q C -1.775 174.304 176.000 0.132 0.000 0.997 673 Q CA -1.355 54.505 55.803 0.096 0.000 0.828 673 Q CB 1.492 30.248 28.738 0.030 0.000 1.443 673 Q HN 0.863 nan 8.270 nan 0.000 0.390 674 Y N -1.144 119.146 120.300 -0.015 0.000 2.545 674 Y HA 0.837 5.386 4.550 -0.001 0.000 0.348 674 Y C -0.847 175.058 175.900 0.008 0.000 1.002 674 Y CA -0.826 57.261 58.100 -0.022 0.000 1.039 674 Y CB 2.036 40.466 38.460 -0.050 0.000 1.271 674 Y HN 0.819 nan 8.280 nan 0.000 0.467 675 S N 1.067 116.826 115.700 0.099 0.000 2.621 675 S HA 0.849 5.319 4.470 -0.001 0.000 0.302 675 S C -0.650 174.035 174.600 0.143 0.000 1.093 675 S CA -0.461 57.789 58.200 0.083 0.000 1.017 675 S CB 1.941 65.281 63.200 0.234 0.000 1.077 675 S HN 1.073 nan 8.310 nan 0.000 0.517 676 T N -0.454 114.005 114.554 -0.159 0.000 2.853 676 T HA 0.760 5.110 4.350 -0.001 0.000 0.311 676 T C -0.346 173.658 174.700 -1.160 0.000 1.307 676 T CA 0.270 61.950 62.100 -0.700 0.000 1.019 676 T CB 1.058 69.720 68.868 -0.345 0.000 1.264 676 T HN 1.737 nan 8.240 nan 0.000 0.497 677 G N 1.796 109.448 108.800 -1.913 0.000 2.325 677 G HA2 0.493 4.453 3.960 -0.001 0.000 0.295 677 G HA3 0.493 4.453 3.960 -0.001 0.000 0.295 677 G C -2.092 172.010 174.900 -1.329 0.000 1.274 677 G CA -0.665 43.695 45.100 -1.233 0.000 0.857 677 G HN 0.768 nan 8.290 nan 0.000 0.499 678 Q N -1.350 118.048 119.800 -0.671 0.000 2.248 678 Q HA 0.757 5.097 4.340 -0.001 0.000 0.263 678 Q C -0.572 175.209 176.000 -0.365 0.000 1.007 678 Q CA -0.730 54.720 55.803 -0.589 0.000 0.877 678 Q CB 2.542 30.791 28.738 -0.814 0.000 1.315 678 Q HN 0.973 nan 8.270 nan 0.000 0.454 679 V N 0.211 120.037 119.914 -0.147 0.000 2.841 679 V HA 0.830 4.950 4.120 -0.001 0.000 0.310 679 V C -1.595 174.398 176.094 -0.170 0.000 1.090 679 V CA -0.317 61.874 62.300 -0.181 0.000 0.930 679 V CB 2.343 34.115 31.823 -0.085 0.000 1.014 679 V HN 0.692 nan 8.190 nan 0.000 0.425 680 S N 4.313 119.900 115.700 -0.188 0.000 2.557 680 S HA 0.817 5.287 4.470 -0.001 0.000 0.291 680 S C -1.476 172.955 174.600 -0.281 0.000 1.116 680 S CA -0.453 57.665 58.200 -0.136 0.000 0.992 680 S CB 1.595 64.834 63.200 0.065 0.000 1.028 680 S HN 0.878 nan 8.310 nan 0.000 0.484 681 V N 4.956 124.736 119.914 -0.225 0.000 2.443 681 V HA 0.498 4.618 4.120 -0.001 0.000 0.293 681 V C -0.232 175.784 176.094 -0.129 0.000 1.021 681 V CA -0.651 61.513 62.300 -0.228 0.000 0.848 681 V CB 1.479 33.021 31.823 -0.468 0.000 0.998 681 V HN 0.903 nan 8.190 nan 0.000 0.424 682 E N 5.477 125.612 120.200 -0.107 0.000 2.151 682 E HA 0.651 5.001 4.350 -0.001 0.000 0.275 682 E C -1.424 175.127 176.600 -0.082 0.000 0.936 682 E CA -0.519 55.829 56.400 -0.086 0.000 0.777 682 E CB 1.422 31.057 29.700 -0.109 0.000 1.108 682 E HN 0.647 nan 8.360 nan 0.000 0.401 683 I N 3.532 124.057 120.570 -0.075 0.000 2.498 683 I HA 0.269 4.439 4.170 -0.001 0.000 0.290 683 I C -0.218 175.767 176.117 -0.219 0.000 1.032 683 I CA -0.801 60.398 61.300 -0.168 0.000 1.073 683 I CB 2.063 39.912 38.000 -0.252 0.000 1.251 683 I HN 0.554 nan 8.210 nan 0.000 0.426 684 E N 5.218 125.237 120.200 -0.301 0.000 2.231 684 E HA 0.372 4.722 4.350 -0.001 0.000 0.277 684 E C -1.934 174.426 176.600 -0.399 0.000 0.999 684 E CA -0.583 55.693 56.400 -0.207 0.000 0.827 684 E CB 1.301 30.930 29.700 -0.120 0.000 1.101 684 E HN 0.405 nan 8.360 nan 0.000 0.393 685 W N 2.737 124.026 121.300 -0.017 0.000 2.619 685 W HA 0.287 4.947 4.660 -0.001 0.000 0.327 685 W C -0.202 176.363 176.519 0.076 0.000 1.027 685 W CA -0.701 56.675 57.345 0.051 0.000 1.233 685 W CB 1.250 30.804 29.460 0.156 0.000 1.370 685 W HN 0.459 nan 8.180 nan 0.000 0.453 686 E N 3.253 123.602 120.200 0.248 0.000 2.331 686 E HA 0.472 4.822 4.350 -0.001 0.000 0.272 686 E C -0.900 175.978 176.600 0.464 0.000 1.036 686 E CA -0.284 56.271 56.400 0.258 0.000 0.864 686 E CB 0.823 30.599 29.700 0.126 0.000 1.035 686 E HN 0.461 nan 8.360 nan 0.000 0.408 687 L N 3.301 124.801 121.223 0.463 0.000 2.342 687 L HA 0.361 4.701 4.340 -0.001 0.000 0.271 687 L C -0.297 176.812 176.870 0.398 0.000 1.008 687 L CA -0.764 54.377 54.840 0.500 0.000 0.818 687 L CB 1.920 44.198 42.059 0.365 0.000 1.296 687 L HN 0.546 nan 8.230 nan 0.000 0.427 688 Q N 3.104 123.068 119.800 0.274 0.000 2.394 688 Q HA 0.251 4.591 4.340 -0.001 0.000 0.259 688 Q C -0.824 175.182 176.000 0.010 0.000 1.021 688 Q CA -0.786 54.981 55.803 -0.060 0.000 0.805 688 Q CB 1.163 29.619 28.738 -0.470 0.000 1.226 688 Q HN 0.343 nan 8.270 nan 0.000 0.476 689 K N 1.836 122.199 120.400 -0.062 0.000 2.230 689 K HA 0.051 4.370 4.320 -0.001 0.000 0.253 689 K C -0.100 176.243 176.600 -0.429 0.000 1.008 689 K CA -0.006 56.185 56.287 -0.159 0.000 0.910 689 K CB 0.660 33.076 32.500 -0.139 0.000 0.994 689 K HN 0.656 nan 8.250 nan 0.000 0.495 690 E N 1.985 121.817 120.200 -0.613 0.000 2.200 690 E HA 0.034 4.384 4.350 -0.001 0.000 0.283 690 E C -1.018 175.004 176.600 -0.963 0.000 1.015 690 E CA -0.205 55.414 56.400 -1.302 0.000 0.819 690 E CB 0.554 29.624 29.700 -1.051 0.000 1.081 690 E HN 0.356 nan 8.360 nan 0.000 0.397 691 N N 2.949 121.015 118.700 -1.057 0.000 2.762 691 N HA 0.115 4.855 4.740 -0.001 0.000 0.252 691 N C -1.841 173.568 175.510 -0.169 0.000 1.269 691 N CA -0.222 52.576 53.050 -0.419 0.000 0.799 691 N CB 0.969 39.319 38.487 -0.228 0.000 1.173 691 N HN 0.232 nan 8.380 nan 0.000 0.516 692 S N 1.102 116.711 115.700 -0.151 0.000 2.513 692 S HA 0.444 4.913 4.470 -0.001 0.000 0.299 692 S C 0.065 174.686 174.600 0.036 0.000 1.087 692 S CA -0.616 57.626 58.200 0.071 0.000 1.012 692 S CB 0.670 63.989 63.200 0.199 0.000 1.044 692 S HN 0.261 nan 8.310 nan 0.000 0.485 693 K N 2.366 122.814 120.400 0.080 0.000 2.493 693 K HA 0.156 4.475 4.320 -0.001 0.000 0.207 693 K C 0.269 176.945 176.600 0.126 0.000 1.033 693 K CA -0.263 56.074 56.287 0.084 0.000 1.161 693 K CB -0.134 32.416 32.500 0.085 0.000 0.873 693 K HN 0.555 nan 8.250 nan 0.000 0.491 694 R N 0.962 121.534 120.500 0.119 0.000 2.502 694 R HA -0.108 4.231 4.340 -0.001 0.000 0.292 694 R C 1.082 177.474 176.300 0.152 0.000 0.998 694 R CA 0.237 56.421 56.100 0.140 0.000 1.056 694 R CB 0.067 30.440 30.300 0.121 0.000 0.939 694 R HN 0.296 nan 8.270 nan 0.000 0.411 695 W N 5.830 127.144 121.300 0.024 0.000 2.452 695 W HA -0.091 4.569 4.660 -0.001 0.000 0.313 695 W C -0.101 176.427 176.519 0.015 0.000 1.176 695 W CA 1.124 58.478 57.345 0.015 0.000 1.350 695 W CB -0.229 29.238 29.460 0.013 0.000 1.148 695 W HN 0.755 nan 8.180 nan 0.000 0.498 696 N N 2.066 120.889 118.700 0.205 0.000 2.444 696 N HA 0.089 4.829 4.740 -0.001 0.000 0.255 696 N C -2.700 172.813 175.510 0.006 0.000 1.255 696 N CA -1.050 52.051 53.050 0.086 0.000 0.933 696 N CB -0.610 37.975 38.487 0.165 0.000 1.143 696 N HN -0.103 nan 8.380 nan 0.000 0.453 697 P HA 0.077 nan 4.420 nan 0.000 0.267 697 P C -0.197 177.121 177.300 0.029 0.000 1.200 697 P CA 0.272 63.363 63.100 -0.016 0.000 0.772 697 P CB 0.552 32.241 31.700 -0.019 0.000 0.855 698 E N 1.349 121.574 120.200 0.042 0.000 2.292 698 E HA 0.367 4.717 4.350 -0.001 0.000 0.258 698 E C 0.289 176.942 176.600 0.088 0.000 1.115 698 E CA -0.996 55.451 56.400 0.078 0.000 0.929 698 E CB 0.811 30.577 29.700 0.110 0.000 1.161 698 E HN 0.439 nan 8.360 nan 0.000 0.453 699 I N -1.205 119.435 120.570 0.116 0.000 2.519 699 I HA 0.198 4.368 4.170 -0.001 0.000 0.287 699 I C -0.351 175.927 176.117 0.267 0.000 1.047 699 I CA -0.485 60.905 61.300 0.151 0.000 1.381 699 I CB 0.652 38.722 38.000 0.117 0.000 1.417 699 I HN 0.169 nan 8.210 nan 0.000 0.540 700 Q N 4.680 124.631 119.800 0.251 0.000 2.394 700 Q HA 0.303 4.643 4.340 -0.001 0.000 0.273 700 Q C -1.407 174.730 176.000 0.229 0.000 1.089 700 Q CA -0.796 55.138 55.803 0.217 0.000 0.812 700 Q CB 2.824 31.605 28.738 0.071 0.000 1.353 700 Q HN 0.791 nan 8.270 nan 0.000 0.438 701 Y N 0.997 121.188 120.300 -0.182 0.000 2.346 701 Y HA 0.295 4.844 4.550 -0.001 0.000 0.330 701 Y C -0.117 175.762 175.900 -0.035 0.000 1.178 701 Y CA 0.863 58.870 58.100 -0.156 0.000 1.331 701 Y CB 0.989 39.124 38.460 -0.542 0.000 1.253 701 Y HN 0.616 nan 8.280 nan 0.000 0.529 702 T N 3.637 117.786 114.554 -0.675 0.000 2.840 702 T HA 0.433 4.782 4.350 -0.001 0.000 0.317 702 T C -1.239 173.225 174.700 -0.394 0.000 1.401 702 T CA -0.752 61.151 62.100 -0.328 0.000 1.028 702 T CB 0.869 69.664 68.868 -0.122 0.000 1.317 702 T HN 0.613 nan 8.240 nan 0.000 0.495 703 S N 2.054 117.700 115.700 -0.090 0.000 2.586 703 S HA 0.377 4.846 4.470 -0.001 0.000 0.274 703 S C 0.105 174.731 174.600 0.043 0.000 1.281 703 S CA -0.629 57.576 58.200 0.009 0.000 1.035 703 S CB 0.182 63.446 63.200 0.106 0.000 0.962 703 S HN 0.713 nan 8.310 nan 0.000 0.512 704 N N 1.936 120.665 118.700 0.048 0.000 2.427 704 N HA 0.054 4.794 4.740 -0.001 0.000 0.269 704 N C 0.650 176.206 175.510 0.077 0.000 1.235 704 N CA -0.126 52.965 53.050 0.068 0.000 0.934 704 N CB 0.169 38.657 38.487 0.002 0.000 1.121 704 N HN 0.755 nan 8.380 nan 0.000 0.480 705 Y N 1.095 121.392 120.300 -0.004 0.000 2.639 705 Y HA 0.078 4.628 4.550 -0.001 0.000 0.297 705 Y C 0.063 175.965 175.900 0.004 0.000 1.151 705 Y CA -0.511 57.590 58.100 0.003 0.000 1.335 705 Y CB -0.160 38.300 38.460 0.000 0.000 0.994 705 Y HN 0.312 nan 8.280 nan 0.000 0.548 706 N N 2.533 120.872 118.700 -0.603 0.000 2.415 706 N HA -0.031 4.708 4.740 -0.001 0.000 0.248 706 N C -0.496 174.876 175.510 -0.230 0.000 1.271 706 N CA -0.201 52.526 53.050 -0.540 0.000 0.913 706 N CB 0.514 38.746 38.487 -0.425 0.000 1.129 706 N HN 0.317 nan 8.380 nan 0.000 0.444 707 K N 0.556 120.851 120.400 -0.175 0.000 2.453 707 K HA 0.003 4.322 4.320 -0.001 0.000 0.280 707 K C -0.304 176.250 176.600 -0.077 0.000 1.045 707 K CA 0.364 56.595 56.287 -0.092 0.000 1.059 707 K CB 0.216 32.673 32.500 -0.071 0.000 0.901 707 K HN 0.453 nan 8.250 nan 0.000 0.475 708 S N 2.786 118.454 115.700 -0.052 0.000 2.599 708 S HA 0.328 4.798 4.470 -0.001 0.000 0.294 708 S C 0.843 175.424 174.600 -0.032 0.000 1.094 708 S CA -1.053 57.121 58.200 -0.043 0.000 0.931 708 S CB 1.581 64.760 63.200 -0.035 0.000 1.093 708 S HN 0.366 nan 8.310 nan 0.000 0.488 709 V N 3.236 123.130 119.914 -0.034 0.000 2.238 709 V HA -0.009 4.111 4.120 -0.001 0.000 0.235 709 V C 0.797 176.874 176.094 -0.029 0.000 1.037 709 V CA 1.484 63.765 62.300 -0.032 0.000 0.991 709 V CB -0.865 30.936 31.823 -0.037 0.000 0.638 709 V HN 0.837 nan 8.190 nan 0.000 0.457 710 N N -0.898 117.780 118.700 -0.036 0.000 2.472 710 N HA 0.477 5.216 4.740 -0.001 0.000 0.289 710 N C -1.030 174.464 175.510 -0.026 0.000 1.156 710 N CA -0.602 52.427 53.050 -0.036 0.000 0.940 710 N CB 1.971 40.423 38.487 -0.058 0.000 1.200 710 N HN 0.084 nan 8.380 nan 0.000 0.511 711 V N 1.380 121.289 119.914 -0.009 0.000 2.530 711 V HA 0.043 4.163 4.120 -0.001 0.000 0.282 711 V C -0.064 176.042 176.094 0.020 0.000 1.048 711 V CA -0.433 61.882 62.300 0.024 0.000 0.997 711 V CB 0.761 32.617 31.823 0.056 0.000 0.987 711 V HN 0.615 nan 8.190 nan 0.000 0.477 712 D N 4.654 125.089 120.400 0.057 0.000 2.531 712 D HA 0.105 4.745 4.640 -0.001 0.000 0.239 712 D C 0.110 176.533 176.300 0.206 0.000 1.144 712 D CA 0.681 54.716 54.000 0.057 0.000 0.869 712 D CB 0.013 40.938 40.800 0.208 0.000 1.160 712 D HN 0.484 nan 8.370 nan 0.000 0.484 713 F N 0.021 119.922 119.950 -0.082 0.000 2.563 713 F HA -0.266 4.261 4.527 -0.001 0.000 0.351 713 F C 0.314 176.094 175.800 -0.033 0.000 1.086 713 F CA 0.351 58.265 58.000 -0.143 0.000 1.174 713 F CB -1.737 37.302 39.000 0.065 0.000 1.590 713 F HN 0.166 nan 8.300 nan 0.000 0.808 714 T N -0.760 113.723 114.554 -0.117 0.000 2.786 714 T HA 0.607 4.957 4.350 -0.001 0.000 0.316 714 T C -0.174 174.456 174.700 -0.116 0.000 1.503 714 T CA -0.464 61.650 62.100 0.023 0.000 1.019 714 T CB 1.928 70.824 68.868 0.046 0.000 1.415 714 T HN 0.495 nan 8.240 nan 0.000 0.496 715 V N 0.361 120.214 119.914 -0.102 0.000 3.185 715 V HA 0.636 4.756 4.120 -0.001 0.000 0.305 715 V C 0.236 176.275 176.094 -0.091 0.000 1.090 715 V CA -0.373 61.842 62.300 -0.141 0.000 1.107 715 V CB 0.393 32.108 31.823 -0.181 0.000 1.061 715 V HN 0.996 nan 8.190 nan 0.000 0.480 716 D N 1.081 121.431 120.400 -0.082 0.000 2.509 716 D HA 0.243 4.883 4.640 -0.001 0.000 0.275 716 D C 1.393 177.669 176.300 -0.040 0.000 1.189 716 D CA 0.359 54.322 54.000 -0.061 0.000 1.098 716 D CB -0.251 40.509 40.800 -0.067 0.000 1.177 716 D HN 0.688 nan 8.370 nan 0.000 0.599 717 T N -2.966 111.568 114.554 -0.033 0.000 2.915 717 T HA -0.122 4.228 4.350 -0.001 0.000 0.269 717 T C 0.685 175.374 174.700 -0.018 0.000 1.071 717 T CA 1.277 63.364 62.100 -0.022 0.000 1.132 717 T CB -0.769 68.086 68.868 -0.021 0.000 0.878 717 T HN 0.543 nan 8.240 nan 0.000 0.479 718 N N 0.255 118.942 118.700 -0.021 0.000 2.291 718 N HA 0.413 5.152 4.740 -0.001 0.000 0.244 718 N C 0.715 176.217 175.510 -0.013 0.000 1.216 718 N CA -0.165 52.876 53.050 -0.014 0.000 0.879 718 N CB 0.292 38.771 38.487 -0.013 0.000 1.167 718 N HN 0.500 nan 8.380 nan 0.000 0.515 719 G N -0.127 108.660 108.800 -0.022 0.000 2.470 719 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.286 719 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.286 719 G C -0.939 173.945 174.900 -0.027 0.000 1.115 719 G CA -0.004 45.082 45.100 -0.023 0.000 1.122 719 G HN 0.343 nan 8.290 nan 0.000 0.522 720 V N 1.902 121.784 119.914 -0.053 0.000 2.488 720 V HA 0.412 4.531 4.120 -0.001 0.000 0.293 720 V C 0.018 176.068 176.094 -0.074 0.000 1.027 720 V CA -1.343 60.932 62.300 -0.042 0.000 0.862 720 V CB 1.516 33.318 31.823 -0.034 0.000 1.008 720 V HN 0.563 nan 8.190 nan 0.000 0.428 721 Y N 4.416 124.584 120.300 -0.220 0.000 2.511 721 Y HA 0.461 5.011 4.550 -0.001 0.000 0.332 721 Y C 0.718 176.533 175.900 -0.142 0.000 1.177 721 Y CA 0.264 58.212 58.100 -0.255 0.000 1.422 721 Y CB 1.016 39.301 38.460 -0.291 0.000 1.271 721 Y HN 0.729 nan 8.280 nan 0.000 0.550 722 S N 4.373 119.635 115.700 -0.729 0.000 2.619 722 S HA 0.413 4.882 4.470 -0.001 0.000 0.280 722 S C -1.506 172.641 174.600 -0.755 0.000 1.150 722 S CA -1.196 56.672 58.200 -0.552 0.000 0.978 722 S CB 1.403 64.396 63.200 -0.344 0.000 1.041 722 S HN 0.676 nan 8.310 nan 0.000 0.485 723 E N 3.097 122.962 120.200 -0.558 0.000 2.001 723 E HA 0.217 4.567 4.350 -0.001 0.000 0.279 723 E C -1.855 174.389 176.600 -0.593 0.000 1.045 723 E CA -2.001 54.038 56.400 -0.602 0.000 0.833 723 E CB 0.457 30.042 29.700 -0.191 0.000 1.077 723 E HN 0.355 nan 8.360 nan 0.000 0.397 724 P HA -0.215 nan 4.420 nan 0.000 0.208 724 P C 0.203 177.339 177.300 -0.272 0.000 1.180 724 P CA 1.518 64.321 63.100 -0.495 0.000 0.935 724 P CB 0.182 31.560 31.700 -0.537 0.000 0.785 725 R N -1.616 118.774 120.500 -0.183 0.000 2.892 725 R HA 0.616 4.956 4.340 -0.001 0.000 0.265 725 R C -2.950 173.405 176.300 0.092 0.000 1.025 725 R CA -2.323 53.786 56.100 0.014 0.000 0.982 725 R CB 0.099 30.473 30.300 0.123 0.000 1.185 725 R HN -0.139 nan 8.270 nan 0.000 0.484 726 P HA 0.198 nan 4.420 nan 0.000 0.274 726 P C -0.698 176.763 177.300 0.268 0.000 1.231 726 P CA -0.369 62.791 63.100 0.100 0.000 0.790 726 P CB 0.524 32.251 31.700 0.045 0.000 0.951 727 I N 1.876 122.641 120.570 0.325 0.000 2.382 727 I HA 0.302 4.472 4.170 -0.001 0.000 0.286 727 I C 1.166 177.643 176.117 0.600 0.000 1.002 727 I CA -0.314 61.214 61.300 0.379 0.000 1.135 727 I CB 0.754 38.851 38.000 0.162 0.000 1.288 727 I HN 0.418 nan 8.210 nan 0.000 0.448 728 G N 3.527 112.678 108.800 0.585 0.000 2.631 728 G HA2 0.223 4.183 3.960 -0.001 0.000 0.271 728 G HA3 0.223 4.183 3.960 -0.001 0.000 0.271 728 G C 0.544 175.615 174.900 0.284 0.000 1.302 728 G CA 0.146 45.461 45.100 0.359 0.000 1.002 728 G HN 0.577 nan 8.290 nan 0.000 0.519 729 T N -1.403 113.241 114.554 0.150 0.000 2.986 729 T HA 0.176 4.526 4.350 -0.001 0.000 0.264 729 T C 0.911 175.720 174.700 0.183 0.000 0.964 729 T CA -0.221 61.944 62.100 0.108 0.000 0.895 729 T CB 0.022 68.960 68.868 0.116 0.000 1.163 729 T HN 0.362 nan 8.240 nan 0.000 0.517 730 R N 1.205 121.801 120.500 0.160 0.000 2.391 730 R HA 0.344 4.684 4.340 -0.001 0.000 0.310 730 R C -0.591 175.744 176.300 0.059 0.000 1.174 730 R CA -0.168 55.963 56.100 0.051 0.000 1.118 730 R CB 0.375 30.612 30.300 -0.105 0.000 1.134 730 R HN 0.327 nan 8.270 nan 0.000 0.524 731 Y N 0.597 120.922 120.300 0.040 0.000 2.452 731 Y HA 0.237 4.787 4.550 -0.001 0.000 0.262 731 Y C 0.465 176.420 175.900 0.092 0.000 1.089 731 Y CA -0.069 58.075 58.100 0.073 0.000 1.262 731 Y CB 0.880 39.391 38.460 0.086 0.000 1.236 731 Y HN 0.244 nan 8.280 nan 0.000 0.512 732 L N 0.739 122.122 121.223 0.267 0.000 2.334 732 L HA 0.467 4.807 4.340 -0.001 0.000 0.275 732 L C 0.169 177.137 176.870 0.162 0.000 1.036 732 L CA -0.762 54.263 54.840 0.309 0.000 0.807 732 L CB 1.560 43.965 42.059 0.576 0.000 1.231 732 L HN 0.007 nan 8.230 nan 0.000 0.438 733 T N -0.223 114.431 114.554 0.166 0.000 2.794 733 T HA 0.573 4.922 4.350 -0.001 0.000 0.280 733 T C -0.413 174.219 174.700 -0.112 0.000 0.987 733 T CA -0.876 61.234 62.100 0.016 0.000 0.993 733 T CB 2.029 70.938 68.868 0.069 0.000 0.939 733 T HN 0.592 nan 8.240 nan 0.000 0.449 734 R N 2.089 122.402 120.500 -0.312 0.000 2.807 734 R HA 0.476 4.816 4.340 -0.001 0.000 0.276 734 R C -0.729 175.501 176.300 -0.118 0.000 0.979 734 R CA -0.677 55.188 56.100 -0.392 0.000 0.928 734 R CB 1.448 31.115 30.300 -1.056 0.000 1.191 734 R HN 0.712 nan 8.270 nan 0.000 0.471 735 N N 0.958 119.627 118.700 -0.052 0.000 2.374 735 N HA 0.344 5.084 4.740 -0.001 0.000 0.284 735 N C -0.219 175.323 175.510 0.052 0.000 1.280 735 N CA -0.268 52.797 53.050 0.025 0.000 0.963 735 N CB 0.326 38.821 38.487 0.013 0.000 1.141 735 N HN 0.361 nan 8.380 nan 0.000 0.565 736 L N 0.000 121.220 121.223 -0.006 0.000 2.949 736 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 736 L CA 0.000 54.781 54.840 -0.098 0.000 0.813 736 L CB 0.000 41.952 42.059 -0.178 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502