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 1ewr_1_A DATA FIRST_RESID 131 DATA SEQUENCE ANYLAAIATG DGWGLAFLDV STGEFKGTVL KSKSALYDEL FRHRPAEVLL DATA SEQUENCE APELLENGAF LDEFRKRXXX XXSEAPFEPE GEGPLALRRA RGALLAYAQR DATA SEQUENCE TQGGALSLQP FRFYDPGAFX RLPEATLRAL EVFEPLRGQD TLFSVLDETR DATA SEQUENCE TAPGRRLLQS WLRHPLLDRG PLEARLDRVE GFVREGALRE GVRRLLYXXX DATA SEQUENCE XXXXXXXXXE LGRASPKDLG ALXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXREA ARILAELDVY DATA SEQUENCE AALAEVAVRY GYVRPRFGDR LQIRAGRHPV VERRTEFVPN DLEXAHELVL DATA SEQUENCE ITGPNXAGKS TFLRQTALIA LLAQVGSFVP AEEAHLPLFD GIYTRIGAXX DATA SEQUENCE XXXXGKSTFX VEXEEVALIL KEATENSLVL LDEVGRGTSS LDGVAIATAV DATA SEQUENCE AEALHERRAY TLFATHYFEL TALGLPRLKN LHVAAREEAG GLVFYHQVLP DATA SEQUENCE GPASKSYGVE VAAXAGLPKE VVARARALLQ AXAAR 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 131 A HA 0.000 nan 4.320 nan 0.000 0.244 131 A C 0.000 177.419 177.584 -0.275 0.000 1.274 131 A CA 0.000 51.880 52.037 -0.262 0.000 0.836 131 A CB 0.000 18.739 19.000 -0.436 0.000 0.831 132 N N -1.603 116.804 118.700 -0.488 0.000 2.935 132 N HA 0.539 5.279 4.740 -0.000 0.000 0.248 132 N C -2.468 172.726 175.510 -0.527 0.000 1.276 132 N CA -0.111 52.765 53.050 -0.289 0.000 0.906 132 N CB 1.369 39.756 38.487 -0.167 0.000 1.564 132 N HN 0.562 nan 8.380 nan 0.000 0.500 133 Y N 0.434 120.739 120.300 0.008 0.000 2.504 133 Y HA 0.515 5.065 4.550 -0.000 0.000 0.344 133 Y C -0.561 175.436 175.900 0.161 0.000 1.023 133 Y CA -0.837 57.324 58.100 0.101 0.000 1.020 133 Y CB 1.844 40.369 38.460 0.110 0.000 1.282 133 Y HN 0.399 nan 8.280 nan 0.000 0.454 134 L N 3.050 124.476 121.223 0.339 0.000 2.280 134 L HA 0.919 5.259 4.340 -0.000 0.000 0.287 134 L C -0.653 176.357 176.870 0.234 0.000 1.023 134 L CA -0.405 54.566 54.840 0.218 0.000 0.819 134 L CB 0.593 42.749 42.059 0.162 0.000 1.212 134 L HN 0.700 nan 8.230 nan 0.000 0.420 135 A N 4.340 127.246 122.820 0.144 0.000 2.340 135 A HA 0.970 5.290 4.320 -0.000 0.000 0.331 135 A C -0.832 176.693 177.584 -0.098 0.000 1.140 135 A CA -0.104 51.904 52.037 -0.048 0.000 0.801 135 A CB 1.390 20.324 19.000 -0.110 0.000 1.234 135 A HN 1.036 nan 8.150 nan 0.000 0.469 136 A N 1.592 124.315 122.820 -0.163 0.000 2.386 136 A HA 0.775 5.095 4.320 -0.000 0.000 0.311 136 A C -0.916 176.644 177.584 -0.040 0.000 1.068 136 A CA -0.398 51.605 52.037 -0.056 0.000 0.743 136 A CB 0.821 19.733 19.000 -0.146 0.000 1.258 136 A HN 0.747 nan 8.150 nan 0.000 0.429 137 I N 1.858 122.443 120.570 0.024 0.000 2.439 137 I HA 0.572 4.742 4.170 -0.000 0.000 0.283 137 I C 0.248 176.200 176.117 -0.274 0.000 1.023 137 I CA -0.288 60.916 61.300 -0.159 0.000 1.100 137 I CB 1.737 39.557 38.000 -0.299 0.000 1.238 137 I HN 0.731 nan 8.210 nan 0.000 0.445 138 A N 4.109 126.794 122.820 -0.226 0.000 2.380 138 A HA 0.894 5.214 4.320 -0.000 0.000 0.315 138 A C -0.061 177.299 177.584 -0.373 0.000 1.101 138 A CA -0.545 51.284 52.037 -0.348 0.000 0.771 138 A CB 1.573 20.544 19.000 -0.048 0.000 1.287 138 A HN 0.662 nan 8.150 nan 0.000 0.436 139 T N -1.595 112.711 114.554 -0.413 0.000 2.944 139 T HA 0.784 5.134 4.350 -0.000 0.000 0.284 139 T C 0.232 174.856 174.700 -0.128 0.000 1.010 139 T CA -0.248 61.656 62.100 -0.326 0.000 1.025 139 T CB 1.528 70.158 68.868 -0.396 0.000 1.079 139 T HN 2.446 nan 8.240 nan 0.000 0.516 140 G N 1.061 109.853 108.800 -0.013 0.000 2.951 140 G HA2 0.249 4.209 3.960 -0.000 0.000 0.508 140 G HA3 0.249 4.209 3.960 -0.000 0.000 0.508 140 G C -0.433 174.505 174.900 0.063 0.000 1.203 140 G CA -0.387 44.724 45.100 0.017 0.000 1.209 140 G HN 0.989 nan 8.290 nan 0.000 0.552 141 D N -0.373 120.075 120.400 0.081 0.000 2.699 141 D HA 0.085 4.725 4.640 -0.000 0.000 0.239 141 D C 1.150 177.520 176.300 0.116 0.000 1.136 141 D CA 3.211 57.261 54.000 0.084 0.000 0.668 141 D CB -0.887 39.951 40.800 0.063 0.000 1.060 141 D HN 2.350 nan 8.370 nan 0.000 0.429 142 G N -0.938 107.965 108.800 0.172 0.000 2.373 142 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.634 142 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.634 142 G C -1.641 173.518 174.900 0.431 0.000 1.267 142 G CA -0.376 44.854 45.100 0.216 0.000 1.008 142 G HN 0.068 nan 8.290 nan 0.000 0.497 143 W N 1.190 122.494 121.300 0.007 0.000 2.362 143 W HA 0.619 5.279 4.660 -0.000 0.000 0.316 143 W C 0.718 177.212 176.519 -0.040 0.000 1.024 143 W CA -0.563 56.776 57.345 -0.010 0.000 1.270 143 W CB 1.501 30.982 29.460 0.036 0.000 1.273 143 W HN 1.133 nan 8.180 nan 0.000 0.424 144 G N 4.538 113.356 108.800 0.031 0.000 2.354 144 G HA2 0.393 4.353 3.960 -0.000 0.000 0.266 144 G HA3 0.393 4.353 3.960 -0.000 0.000 0.266 144 G C -1.048 173.803 174.900 -0.082 0.000 1.242 144 G CA -0.363 44.714 45.100 -0.038 0.000 0.923 144 G HN 0.495 nan 8.290 nan 0.000 0.476 145 L N 2.697 123.843 121.223 -0.128 0.000 2.372 145 L HA 0.660 5.000 4.340 -0.000 0.000 0.273 145 L C -0.064 176.622 176.870 -0.307 0.000 0.989 145 L CA -0.808 53.892 54.840 -0.232 0.000 0.841 145 L CB 1.633 43.591 42.059 -0.169 0.000 1.225 145 L HN 0.587 nan 8.230 nan 0.000 0.414 146 A N 5.083 127.689 122.820 -0.356 0.000 2.304 146 A HA 0.708 5.028 4.320 -0.000 0.000 0.314 146 A C -1.413 175.973 177.584 -0.330 0.000 1.187 146 A CA -0.304 51.579 52.037 -0.257 0.000 0.810 146 A CB 0.593 19.502 19.000 -0.152 0.000 1.183 146 A HN 0.613 nan 8.150 nan 0.000 0.487 147 F N 2.220 122.167 119.950 -0.004 0.000 2.444 147 F HA 0.649 5.176 4.527 -0.000 0.000 0.342 147 F C -0.095 175.842 175.800 0.228 0.000 1.121 147 F CA -0.601 57.455 58.000 0.092 0.000 0.997 147 F CB 1.922 40.860 39.000 -0.104 0.000 1.130 147 F HN 0.603 nan 8.300 nan 0.000 0.454 148 L N 3.271 124.814 121.223 0.534 0.000 2.445 148 L HA 0.645 4.985 4.340 -0.000 0.000 0.262 148 L C -2.039 174.979 176.870 0.246 0.000 0.974 148 L CA -0.498 54.615 54.840 0.455 0.000 0.822 148 L CB 2.351 44.739 42.059 0.549 0.000 1.339 148 L HN 0.519 nan 8.230 nan 0.000 0.409 149 D N 2.367 122.819 120.400 0.087 0.000 2.542 149 D HA 0.304 4.944 4.640 -0.000 0.000 0.252 149 D C 0.845 177.124 176.300 -0.036 0.000 1.222 149 D CA -0.246 53.704 54.000 -0.082 0.000 0.895 149 D CB 1.972 42.561 40.800 -0.352 0.000 1.207 149 D HN 0.436 nan 8.370 nan 0.000 0.558 150 V N 2.341 122.245 119.914 -0.016 0.000 2.252 150 V HA -0.215 3.905 4.120 -0.000 0.000 0.249 150 V C 2.110 178.178 176.094 -0.043 0.000 1.056 150 V CA 2.138 64.425 62.300 -0.022 0.000 1.022 150 V CB -1.329 30.486 31.823 -0.013 0.000 0.641 150 V HN 0.549 nan 8.190 nan 0.000 0.445 151 S N 1.821 117.485 115.700 -0.060 0.000 2.427 151 S HA -0.301 4.169 4.470 -0.000 0.000 0.231 151 S C 2.038 176.599 174.600 -0.065 0.000 1.045 151 S CA 3.499 61.659 58.200 -0.067 0.000 1.154 151 S CB -1.201 61.946 63.200 -0.088 0.000 1.093 151 S HN 1.029 nan 8.310 nan 0.000 0.422 152 T N -1.837 112.667 114.554 -0.083 0.000 3.148 152 T HA 0.381 4.731 4.350 -0.000 0.000 0.253 152 T C 1.476 176.156 174.700 -0.032 0.000 1.134 152 T CA 0.914 62.976 62.100 -0.063 0.000 1.051 152 T CB -0.522 68.296 68.868 -0.083 0.000 0.959 152 T HN 1.183 nan 8.240 nan 0.000 0.525 153 G N 1.720 110.503 108.800 -0.028 0.000 2.258 153 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.274 153 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.274 153 G C -0.197 174.737 174.900 0.056 0.000 1.021 153 G CA 0.413 45.511 45.100 -0.002 0.000 0.798 153 G HN 0.838 nan 8.290 nan 0.000 0.507 154 E N -0.632 119.604 120.200 0.060 0.000 2.324 154 E HA 0.471 4.821 4.350 -0.000 0.000 0.271 154 E C -0.810 175.973 176.600 0.306 0.000 1.028 154 E CA -0.716 55.760 56.400 0.127 0.000 0.890 154 E CB 0.165 29.894 29.700 0.049 0.000 1.004 154 E HN 0.111 nan 8.360 nan 0.000 0.431 155 F N 5.615 125.619 119.950 0.090 0.000 2.500 155 F HA 0.347 4.874 4.527 -0.000 0.000 0.349 155 F C -1.000 174.804 175.800 0.006 0.000 1.127 155 F CA -0.722 57.369 58.000 0.151 0.000 0.998 155 F CB 0.846 39.981 39.000 0.225 0.000 1.237 155 F HN 0.388 nan 8.300 nan 0.000 0.439 156 K N 3.826 124.075 120.400 -0.252 0.000 2.542 156 K HA 0.914 5.234 4.320 -0.000 0.000 0.259 156 K C -1.179 175.211 176.600 -0.350 0.000 0.932 156 K CA -1.065 54.886 56.287 -0.560 0.000 0.820 156 K CB 2.112 34.511 32.500 -0.170 0.000 1.345 156 K HN 0.670 nan 8.250 nan 0.000 0.432 157 G N 0.092 108.565 108.800 -0.545 0.000 2.788 157 G HA2 0.748 4.708 3.960 -0.000 0.000 0.293 157 G HA3 0.748 4.708 3.960 -0.000 0.000 0.293 157 G C -1.486 173.074 174.900 -0.567 0.000 1.392 157 G CA -0.594 44.380 45.100 -0.211 0.000 0.810 157 G HN 0.652 nan 8.290 nan 0.000 0.508 158 T N -1.956 112.250 114.554 -0.580 0.000 2.770 158 T HA 0.456 4.806 4.350 -0.000 0.000 0.323 158 T C -1.874 172.542 174.700 -0.472 0.000 1.683 158 T CA -0.268 61.267 62.100 -0.941 0.000 1.024 158 T CB 1.557 69.647 68.868 -1.297 0.000 1.557 158 T HN 0.826 nan 8.240 nan 0.000 0.494 159 V N 3.754 123.445 119.914 -0.371 0.000 2.378 159 V HA 0.633 4.753 4.120 -0.000 0.000 0.288 159 V C -0.721 175.402 176.094 0.049 0.000 1.016 159 V CA -0.638 61.636 62.300 -0.043 0.000 0.840 159 V CB 0.974 32.844 31.823 0.080 0.000 0.994 159 V HN 0.666 nan 8.190 nan 0.000 0.431 160 L N 5.027 126.320 121.223 0.117 0.000 2.330 160 L HA 0.611 4.951 4.340 -0.000 0.000 0.271 160 L C 0.847 177.760 176.870 0.073 0.000 1.013 160 L CA -0.474 54.435 54.840 0.115 0.000 0.816 160 L CB 1.602 43.749 42.059 0.147 0.000 1.287 160 L HN 0.559 nan 8.230 nan 0.000 0.435 161 K N -0.616 119.782 120.400 -0.004 0.000 2.121 161 K HA 0.130 4.450 4.320 -0.000 0.000 0.203 161 K C 0.490 176.939 176.600 -0.252 0.000 1.041 161 K CA 0.540 56.769 56.287 -0.097 0.000 0.969 161 K CB -0.491 31.987 32.500 -0.038 0.000 0.799 161 K HN 0.483 nan 8.250 nan 0.000 0.456 162 S N 1.837 117.442 115.700 -0.159 0.000 2.422 162 S HA 0.191 4.661 4.470 -0.000 0.000 0.283 162 S C 0.859 175.319 174.600 -0.234 0.000 1.163 162 S CA -0.722 57.364 58.200 -0.191 0.000 1.054 162 S CB 1.285 64.439 63.200 -0.076 0.000 0.967 162 S HN 0.323 nan 8.310 nan 0.000 0.499 163 K N 3.325 123.453 120.400 -0.454 0.000 2.293 163 K HA -0.185 4.135 4.320 -0.000 0.000 0.204 163 K C 1.742 178.331 176.600 -0.017 0.000 1.045 163 K CA 1.760 57.828 56.287 -0.366 0.000 0.933 163 K CB -0.370 31.873 32.500 -0.429 0.000 0.736 163 K HN 0.606 nan 8.250 nan 0.000 0.463 164 S N 0.423 116.076 115.700 -0.078 0.000 2.338 164 S HA -0.115 4.355 4.470 -0.000 0.000 0.218 164 S C 2.078 176.730 174.600 0.087 0.000 1.032 164 S CA 1.152 59.336 58.200 -0.027 0.000 0.999 164 S CB -0.415 62.757 63.200 -0.047 0.000 0.905 164 S HN 0.571 nan 8.310 nan 0.000 0.439 165 A N 1.212 124.082 122.820 0.083 0.000 2.019 165 A HA -0.035 4.285 4.320 -0.000 0.000 0.219 165 A C 2.058 179.777 177.584 0.224 0.000 1.164 165 A CA 1.267 53.387 52.037 0.138 0.000 0.644 165 A CB -0.685 18.383 19.000 0.113 0.000 0.805 165 A HN 0.410 nan 8.150 nan 0.000 0.449 166 L N -1.420 119.968 121.223 0.275 0.000 1.925 166 L HA -0.156 4.184 4.340 -0.000 0.000 0.215 166 L C 2.218 179.354 176.870 0.443 0.000 1.082 166 L CA 2.188 57.267 54.840 0.398 0.000 0.764 166 L CB -0.973 41.447 42.059 0.601 0.000 0.887 166 L HN 0.394 nan 8.230 nan 0.000 0.432 167 Y N 0.339 120.820 120.300 0.302 0.000 2.321 167 Y HA -0.328 4.222 4.550 -0.000 0.000 0.281 167 Y C 2.349 178.392 175.900 0.237 0.000 1.200 167 Y CA 1.832 60.094 58.100 0.271 0.000 1.269 167 Y CB -0.995 37.576 38.460 0.185 0.000 0.972 167 Y HN 0.493 nan 8.280 nan 0.000 0.550 168 D N -0.782 119.830 120.400 0.355 0.000 2.110 168 D HA -0.107 4.533 4.640 -0.000 0.000 0.202 168 D C 2.077 178.546 176.300 0.282 0.000 0.975 168 D CA 1.102 55.261 54.000 0.265 0.000 0.839 168 D CB 0.050 40.953 40.800 0.172 0.000 0.996 168 D HN 0.105 nan 8.370 nan 0.000 0.464 169 E N 0.369 120.745 120.200 0.294 0.000 2.153 169 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 169 E C 2.022 178.854 176.600 0.388 0.000 0.988 169 E CA 0.205 56.800 56.400 0.325 0.000 0.811 169 E CB -0.250 29.732 29.700 0.470 0.000 0.746 169 E HN 0.283 nan 8.360 nan 0.000 0.466 170 L N 0.144 121.626 121.223 0.432 0.000 2.201 170 L HA -0.098 4.242 4.340 -0.000 0.000 0.212 170 L C 1.979 179.027 176.870 0.297 0.000 1.105 170 L CA 1.322 56.450 54.840 0.480 0.000 0.775 170 L CB -0.746 41.506 42.059 0.323 0.000 0.913 170 L HN 0.031 nan 8.230 nan 0.000 0.440 171 F N 0.788 120.801 119.950 0.105 0.000 2.234 171 F HA -0.060 4.467 4.527 -0.000 0.000 0.296 171 F C 2.619 178.381 175.800 -0.063 0.000 1.089 171 F CA 0.987 59.002 58.000 0.026 0.000 1.343 171 F CB -0.118 38.901 39.000 0.033 0.000 1.040 171 F HN -0.023 nan 8.300 nan 0.000 0.498 172 R N -0.778 119.634 120.500 -0.146 0.000 2.066 172 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 172 R C 1.751 177.710 176.300 -0.569 0.000 1.131 172 R CA 1.486 57.346 56.100 -0.399 0.000 0.955 172 R CB -0.666 29.294 30.300 -0.566 0.000 0.851 172 R HN 0.365 nan 8.270 nan 0.000 0.432 173 H N 0.751 119.552 119.070 -0.448 0.000 2.547 173 H HA 0.153 4.709 4.556 -0.000 0.000 0.266 173 H C 0.070 175.090 175.328 -0.514 0.000 0.988 173 H CA 0.080 55.672 56.048 -0.760 0.000 1.147 173 H CB 0.081 28.869 29.762 -1.623 0.000 1.365 173 H HN 0.033 nan 8.280 nan 0.000 0.589 174 R N 1.467 121.815 120.500 -0.253 0.000 2.544 174 R HA -0.127 4.213 4.340 -0.000 0.000 0.227 174 R C -2.293 174.004 176.300 -0.005 0.000 0.776 174 R CA 0.073 56.080 56.100 -0.155 0.000 0.538 174 R CB -1.558 28.593 30.300 -0.248 0.000 1.265 174 R HN 0.429 nan 8.270 nan 0.000 0.528 175 P HA 0.062 nan 4.420 nan 0.000 0.271 175 P C 0.245 177.628 177.300 0.138 0.000 1.218 175 P CA 0.037 63.278 63.100 0.235 0.000 0.780 175 P CB 1.104 33.069 31.700 0.442 0.000 0.901 176 A N 2.068 124.960 122.820 0.119 0.000 2.132 176 A HA 0.042 4.362 4.320 -0.000 0.000 0.213 176 A C 0.868 178.496 177.584 0.073 0.000 1.154 176 A CA 0.730 52.809 52.037 0.071 0.000 0.753 176 A CB -0.276 18.754 19.000 0.049 0.000 0.826 176 A HN 0.685 nan 8.150 nan 0.000 0.469 177 E N -0.302 119.954 120.200 0.092 0.000 2.287 177 E HA 0.498 4.848 4.350 -0.000 0.000 0.274 177 E C -1.959 174.673 176.600 0.054 0.000 0.896 177 E CA -0.370 56.065 56.400 0.059 0.000 0.788 177 E CB 2.114 31.834 29.700 0.033 0.000 1.244 177 E HN -0.012 nan 8.360 nan 0.000 0.408 178 V N 5.446 125.396 119.914 0.061 0.000 2.513 178 V HA 0.427 4.547 4.120 -0.000 0.000 0.299 178 V C -0.246 175.849 176.094 0.002 0.000 1.035 178 V CA -0.683 61.660 62.300 0.072 0.000 0.889 178 V CB 1.522 33.478 31.823 0.220 0.000 0.988 178 V HN 0.614 nan 8.190 nan 0.000 0.440 179 L N 5.899 127.103 121.223 -0.031 0.000 2.294 179 L HA 0.543 4.883 4.340 -0.000 0.000 0.283 179 L C -0.538 176.434 176.870 0.169 0.000 1.015 179 L CA -0.272 54.571 54.840 0.005 0.000 0.831 179 L CB 1.271 43.261 42.059 -0.115 0.000 1.217 179 L HN 0.391 nan 8.230 nan 0.000 0.420 180 L N 2.902 124.146 121.223 0.033 0.000 2.312 180 L HA 0.582 4.922 4.340 -0.000 0.000 0.281 180 L C 0.809 177.384 176.870 -0.491 0.000 1.070 180 L CA -0.405 54.302 54.840 -0.221 0.000 0.805 180 L CB 1.749 43.638 42.059 -0.284 0.000 1.174 180 L HN 0.710 nan 8.230 nan 0.000 0.434 181 A N 4.767 126.959 122.820 -1.046 0.000 2.429 181 A HA 0.240 4.560 4.320 -0.000 0.000 0.242 181 A C -1.703 175.465 177.584 -0.695 0.000 1.088 181 A CA -0.804 50.369 52.037 -1.440 0.000 0.784 181 A CB -0.276 18.001 19.000 -1.204 0.000 1.038 181 A HN 0.631 nan 8.150 nan 0.000 0.501 182 P HA -0.173 nan 4.420 nan 0.000 0.215 182 P C 0.873 178.010 177.300 -0.272 0.000 1.157 182 P CA 1.801 64.735 63.100 -0.277 0.000 0.874 182 P CB 0.047 31.632 31.700 -0.191 0.000 0.790 183 E N 0.070 120.079 120.200 -0.319 0.000 2.028 183 E HA -0.219 4.131 4.350 -0.000 0.000 0.217 183 E C 2.009 178.413 176.600 -0.328 0.000 1.039 183 E CA 1.461 57.684 56.400 -0.294 0.000 0.882 183 E CB -1.647 27.849 29.700 -0.341 0.000 0.794 183 E HN 0.160 nan 8.360 nan 0.000 0.488 184 L N 0.339 121.249 121.223 -0.521 0.000 2.064 184 L HA -0.266 4.074 4.340 -0.000 0.000 0.216 184 L C 2.565 179.272 176.870 -0.272 0.000 1.077 184 L CA 1.230 55.684 54.840 -0.643 0.000 0.766 184 L CB -0.889 40.535 42.059 -1.059 0.000 0.890 184 L HN 0.141 nan 8.230 nan 0.000 0.435 185 L N -0.457 120.621 121.223 -0.241 0.000 2.046 185 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 185 L C 2.631 179.467 176.870 -0.058 0.000 1.077 185 L CA 1.399 56.171 54.840 -0.113 0.000 0.747 185 L CB -0.553 41.437 42.059 -0.116 0.000 0.896 185 L HN 0.329 nan 8.230 nan 0.000 0.432 186 E N -0.418 119.732 120.200 -0.083 0.000 2.046 186 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 186 E C 0.994 177.585 176.600 -0.015 0.000 0.982 186 E CA 0.100 56.473 56.400 -0.046 0.000 0.800 186 E CB -0.216 29.447 29.700 -0.061 0.000 0.756 186 E HN 0.294 nan 8.360 nan 0.000 0.449 187 N N 1.862 120.546 118.700 -0.026 0.000 2.309 187 N HA -0.097 4.643 4.740 -0.000 0.000 0.293 187 N C 0.890 176.456 175.510 0.093 0.000 1.327 187 N CA 0.365 53.434 53.050 0.032 0.000 1.054 187 N CB 0.383 38.886 38.487 0.026 0.000 1.474 187 N HN 0.247 nan 8.380 nan 0.000 0.486 188 G N 2.754 111.593 108.800 0.067 0.000 2.503 188 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.221 188 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.221 188 G C 1.400 176.356 174.900 0.094 0.000 1.131 188 G CA 1.111 46.253 45.100 0.071 0.000 0.756 188 G HN 0.667 nan 8.290 nan 0.000 0.572 189 A N 0.411 123.295 122.820 0.107 0.000 1.840 189 A HA 0.178 4.498 4.320 -0.000 0.000 0.214 189 A C 2.180 179.854 177.584 0.149 0.000 1.198 189 A CA 1.443 53.547 52.037 0.111 0.000 0.608 189 A CB -0.658 18.406 19.000 0.105 0.000 0.839 189 A HN 0.431 nan 8.150 nan 0.000 0.443 190 F N 0.241 120.231 119.950 0.067 0.000 2.154 190 F HA -0.218 4.309 4.527 -0.000 0.000 0.301 190 F C 1.857 177.725 175.800 0.114 0.000 1.087 190 F CA 1.802 59.861 58.000 0.097 0.000 1.274 190 F CB -0.140 38.884 39.000 0.040 0.000 1.009 190 F HN 0.222 nan 8.300 nan 0.000 0.485 191 L N 0.812 122.216 121.223 0.302 0.000 1.970 191 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 191 L C 1.910 178.863 176.870 0.138 0.000 1.071 191 L CA 2.167 57.142 54.840 0.225 0.000 0.751 191 L CB -1.116 41.042 42.059 0.165 0.000 0.889 191 L HN 0.081 nan 8.230 nan 0.000 0.432 192 D N -0.904 119.554 120.400 0.096 0.000 2.348 192 D HA -0.156 4.484 4.640 -0.000 0.000 0.216 192 D C 1.910 178.238 176.300 0.047 0.000 0.970 192 D CA 0.683 54.725 54.000 0.070 0.000 0.889 192 D CB 0.181 41.014 40.800 0.055 0.000 0.912 192 D HN 0.606 nan 8.370 nan 0.000 0.524 193 E N -0.316 119.897 120.200 0.022 0.000 2.122 193 E HA -0.113 4.237 4.350 -0.000 0.000 0.190 193 E C 1.719 178.346 176.600 0.046 0.000 0.977 193 E CA 0.128 56.526 56.400 -0.003 0.000 0.820 193 E CB -0.024 29.643 29.700 -0.055 0.000 0.770 193 E HN 0.116 nan 8.360 nan 0.000 0.462 194 F N 2.096 121.954 119.950 -0.153 0.000 2.186 194 F HA -0.020 4.507 4.527 -0.000 0.000 0.299 194 F C 2.269 178.068 175.800 -0.001 0.000 1.090 194 F CA 1.152 59.105 58.000 -0.078 0.000 1.307 194 F CB 0.108 38.982 39.000 -0.211 0.000 1.019 194 F HN -0.093 nan 8.300 nan 0.000 0.489 195 R N -0.142 120.428 120.500 0.118 0.000 2.235 195 R HA -0.054 4.286 4.340 -0.000 0.000 0.213 195 R C 1.767 178.069 176.300 0.002 0.000 1.059 195 R CA 0.590 56.723 56.100 0.055 0.000 0.997 195 R CB -0.137 30.214 30.300 0.085 0.000 0.884 195 R HN 0.208 nan 8.270 nan 0.000 0.462 196 K N 0.268 120.668 120.400 -0.001 0.000 2.242 196 K HA 0.053 4.373 4.320 -0.000 0.000 0.200 196 K C 1.268 177.852 176.600 -0.027 0.000 1.050 196 K CA 0.359 56.641 56.287 -0.009 0.000 0.981 196 K CB 0.197 32.696 32.500 -0.002 0.000 0.795 196 K HN 0.057 nan 8.250 nan 0.000 0.477 204 E N 0.884 121.138 120.200 0.091 0.000 2.383 204 E HA 0.564 4.914 4.350 -0.000 0.000 0.264 204 E C -0.121 176.589 176.600 0.184 0.000 1.050 204 E CA -0.194 56.276 56.400 0.115 0.000 0.896 204 E CB 0.863 30.620 29.700 0.095 0.000 0.982 204 E HN 0.722 nan 8.360 nan 0.000 0.424 205 A N 3.454 126.390 122.820 0.194 0.000 2.580 205 A HA 0.341 4.661 4.320 -0.000 0.000 0.301 205 A C -2.724 174.989 177.584 0.215 0.000 1.054 205 A CA -1.233 50.919 52.037 0.192 0.000 0.751 205 A CB 1.082 20.205 19.000 0.206 0.000 1.275 205 A HN 0.417 nan 8.150 nan 0.000 0.403 206 P HA 0.421 nan 4.420 nan 0.000 0.271 206 P C -0.914 176.486 177.300 0.167 0.000 1.216 206 P CA 0.172 63.384 63.100 0.186 0.000 0.776 206 P CB 0.249 32.001 31.700 0.087 0.000 0.881 207 F N 1.578 121.506 119.950 -0.037 0.000 2.387 207 F HA 0.189 4.716 4.527 -0.000 0.000 0.332 207 F C 0.914 176.688 175.800 -0.043 0.000 1.174 207 F CA -0.474 57.497 58.000 -0.048 0.000 1.257 207 F CB 0.154 39.103 39.000 -0.084 0.000 1.569 207 F HN 0.085 nan 8.300 nan 0.000 0.554 208 E N 3.746 123.989 120.200 0.071 0.000 2.129 208 E HA 0.133 4.483 4.350 -0.000 0.000 0.283 208 E C -2.235 174.375 176.600 0.016 0.000 1.080 208 E CA -2.253 54.170 56.400 0.038 0.000 0.867 208 E CB 0.288 29.997 29.700 0.015 0.000 1.056 208 E HN 0.214 nan 8.360 nan 0.000 0.404 209 P HA -0.127 nan 4.420 nan 0.000 0.251 209 P C 0.007 177.299 177.300 -0.014 0.000 1.154 209 P CA 0.699 63.800 63.100 0.002 0.000 0.805 209 P CB 0.571 32.273 31.700 0.004 0.000 0.759 210 E N 3.212 123.394 120.200 -0.031 0.000 2.244 210 E HA 0.508 4.858 4.350 -0.000 0.000 0.266 210 E C 0.522 177.091 176.600 -0.052 0.000 0.914 210 E CA -0.016 56.364 56.400 -0.034 0.000 0.794 210 E CB 2.009 31.691 29.700 -0.030 0.000 1.210 210 E HN 0.620 nan 8.360 nan 0.000 0.414 211 G N 2.796 111.574 108.800 -0.037 0.000 2.752 211 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.234 211 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.234 211 G C -0.578 174.302 174.900 -0.034 0.000 1.367 211 G CA 0.318 45.394 45.100 -0.039 0.000 0.879 211 G HN 0.754 nan 8.290 nan 0.000 0.563 212 E N -0.527 119.659 120.200 -0.023 0.000 2.221 212 E HA 0.754 5.104 4.350 -0.000 0.000 0.268 212 E C 0.324 176.928 176.600 0.008 0.000 0.933 212 E CA -0.618 55.780 56.400 -0.002 0.000 0.809 212 E CB 2.015 31.724 29.700 0.014 0.000 1.190 212 E HN 2.428 nan 8.360 nan 0.000 0.406 213 G N 1.063 109.879 108.800 0.026 0.000 2.340 213 G HA2 0.026 3.986 3.960 -0.000 0.000 0.527 213 G HA3 0.026 3.986 3.960 -0.000 0.000 0.527 213 G C -2.957 171.982 174.900 0.066 0.000 1.381 213 G CA -1.136 44.005 45.100 0.068 0.000 1.001 213 G HN 0.472 nan 8.290 nan 0.000 0.626 214 P HA 0.012 nan 4.420 nan 0.000 0.259 214 P C 1.694 179.027 177.300 0.056 0.000 1.155 214 P CA -0.318 62.838 63.100 0.093 0.000 0.759 214 P CB 0.462 32.254 31.700 0.152 0.000 0.753 215 L N 5.247 126.492 121.223 0.037 0.000 2.013 215 L HA -0.367 3.973 4.340 -0.000 0.000 0.239 215 L C 1.949 178.825 176.870 0.011 0.000 1.100 215 L CA 3.042 57.892 54.840 0.018 0.000 0.826 215 L CB -1.761 40.306 42.059 0.013 0.000 0.921 215 L HN 0.491 nan 8.230 nan 0.000 0.445 216 A N -0.576 122.250 122.820 0.010 0.000 2.054 216 A HA -0.282 4.038 4.320 -0.000 0.000 0.223 216 A C 2.326 179.906 177.584 -0.007 0.000 1.169 216 A CA 2.261 54.291 52.037 -0.011 0.000 0.655 216 A CB -0.816 18.178 19.000 -0.010 0.000 0.812 216 A HN 0.696 nan 8.150 nan 0.000 0.462 217 L N -0.851 120.371 121.223 -0.001 0.000 2.007 217 L HA -0.136 4.204 4.340 -0.000 0.000 0.205 217 L C 2.695 179.520 176.870 -0.076 0.000 1.073 217 L CA 1.624 56.443 54.840 -0.035 0.000 0.744 217 L CB -0.345 41.715 42.059 0.002 0.000 0.898 217 L HN 0.342 nan 8.230 nan 0.000 0.435 218 R N -0.384 120.074 120.500 -0.069 0.000 2.091 218 R HA -0.164 4.176 4.340 -0.000 0.000 0.238 218 R C 2.380 178.648 176.300 -0.053 0.000 1.136 218 R CA 1.700 57.740 56.100 -0.100 0.000 0.959 218 R CB -0.528 29.734 30.300 -0.063 0.000 0.856 218 R HN 0.404 nan 8.270 nan 0.000 0.437 219 R N 0.435 120.943 120.500 0.012 0.000 2.103 219 R HA -0.139 4.201 4.340 -0.000 0.000 0.242 219 R C 2.355 178.743 176.300 0.147 0.000 1.142 219 R CA 1.669 57.831 56.100 0.104 0.000 0.960 219 R CB -0.354 30.034 30.300 0.146 0.000 0.858 219 R HN 0.261 nan 8.270 nan 0.000 0.439 220 A N 0.870 123.775 122.820 0.142 0.000 1.898 220 A HA -0.130 4.190 4.320 -0.000 0.000 0.214 220 A C 2.100 179.585 177.584 -0.164 0.000 1.183 220 A CA 1.063 53.125 52.037 0.042 0.000 0.622 220 A CB -0.405 18.649 19.000 0.090 0.000 0.824 220 A HN 0.255 nan 8.150 nan 0.000 0.444 221 R N -0.213 120.210 120.500 -0.128 0.000 2.096 221 R HA -0.149 4.191 4.340 -0.000 0.000 0.240 221 R C 2.087 178.383 176.300 -0.006 0.000 1.139 221 R CA 2.103 58.120 56.100 -0.139 0.000 0.952 221 R CB -0.815 29.278 30.300 -0.345 0.000 0.854 221 R HN 0.402 nan 8.270 nan 0.000 0.436 222 G N -0.566 108.192 108.800 -0.070 0.000 2.448 222 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.218 222 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.218 222 G C 1.508 176.323 174.900 -0.142 0.000 1.135 222 G CA 0.515 45.581 45.100 -0.055 0.000 0.784 222 G HN 0.498 nan 8.290 nan 0.000 0.543 223 A N 0.540 123.145 122.820 -0.358 0.000 1.978 223 A HA 0.078 4.398 4.320 -0.000 0.000 0.220 223 A C 2.366 179.792 177.584 -0.264 0.000 1.170 223 A CA 1.071 52.733 52.037 -0.625 0.000 0.636 223 A CB -0.273 17.728 19.000 -1.666 0.000 0.810 223 A HN 0.379 nan 8.150 nan 0.000 0.448 224 L N -0.796 120.363 121.223 -0.108 0.000 1.993 224 L HA -0.152 4.188 4.340 -0.000 0.000 0.206 224 L C 2.534 179.465 176.870 0.102 0.000 1.074 224 L CA 1.150 56.033 54.840 0.072 0.000 0.746 224 L CB -0.896 41.300 42.059 0.228 0.000 0.896 224 L HN 0.383 nan 8.230 nan 0.000 0.435 225 L N 0.301 121.571 121.223 0.078 0.000 1.978 225 L HA -0.331 4.009 4.340 -0.000 0.000 0.235 225 L C 2.820 179.684 176.870 -0.010 0.000 1.094 225 L CA 1.670 56.501 54.840 -0.015 0.000 0.814 225 L CB -1.200 40.834 42.059 -0.042 0.000 0.911 225 L HN 0.318 nan 8.230 nan 0.000 0.442 226 A N -1.629 121.178 122.820 -0.021 0.000 2.067 226 A HA -0.304 4.016 4.320 -0.000 0.000 0.224 226 A C 2.123 179.703 177.584 -0.007 0.000 1.172 226 A CA 2.379 54.400 52.037 -0.026 0.000 0.662 226 A CB -0.963 18.017 19.000 -0.035 0.000 0.814 226 A HN 0.613 nan 8.150 nan 0.000 0.468 227 Y N -0.747 119.506 120.300 -0.077 0.000 2.262 227 Y HA 0.242 4.792 4.550 -0.000 0.000 0.295 227 Y C 2.681 178.559 175.900 -0.036 0.000 1.121 227 Y CA 0.806 58.872 58.100 -0.056 0.000 1.144 227 Y CB -0.467 37.956 38.460 -0.061 0.000 1.043 227 Y HN 0.278 nan 8.280 nan 0.000 0.528 228 A N 0.235 123.095 122.820 0.066 0.000 1.877 228 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 228 A C 2.041 179.578 177.584 -0.077 0.000 1.186 228 A CA 1.886 53.926 52.037 0.004 0.000 0.620 228 A CB -0.830 18.191 19.000 0.035 0.000 0.822 228 A HN 0.620 nan 8.150 nan 0.000 0.443 229 Q N -1.211 118.544 119.800 -0.074 0.000 2.197 229 Q HA -0.193 4.147 4.340 -0.000 0.000 0.207 229 Q C 2.109 178.047 176.000 -0.103 0.000 0.984 229 Q CA 1.469 57.222 55.803 -0.083 0.000 0.869 229 Q CB -0.171 28.523 28.738 -0.073 0.000 0.906 229 Q HN 0.522 nan 8.270 nan 0.000 0.426 230 R N 0.678 121.088 120.500 -0.149 0.000 2.317 230 R HA -0.010 4.330 4.340 -0.000 0.000 0.208 230 R C 0.798 176.977 176.300 -0.202 0.000 0.914 230 R CA 1.087 57.087 56.100 -0.168 0.000 1.060 230 R CB 0.434 30.620 30.300 -0.190 0.000 1.015 230 R HN 0.301 nan 8.270 nan 0.000 0.498 231 T N -3.395 111.034 114.554 -0.209 0.000 3.040 231 T HA 0.181 4.531 4.350 -0.000 0.000 0.266 231 T C 1.200 175.841 174.700 -0.098 0.000 1.005 231 T CA -0.334 61.659 62.100 -0.179 0.000 0.906 231 T CB 0.613 69.344 68.868 -0.230 0.000 1.082 231 T HN -0.098 nan 8.240 nan 0.000 0.531 232 Q N 0.582 120.330 119.800 -0.088 0.000 2.217 232 Q HA 0.296 4.636 4.340 -0.000 0.000 0.217 232 Q C 1.697 177.662 176.000 -0.058 0.000 0.844 232 Q CA 0.788 56.553 55.803 -0.062 0.000 0.957 232 Q CB 0.562 29.265 28.738 -0.058 0.000 1.127 232 Q HN 0.725 nan 8.270 nan 0.000 0.503 233 G N 0.125 108.886 108.800 -0.066 0.000 2.220 233 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.269 233 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.269 233 G C 0.447 175.317 174.900 -0.051 0.000 0.977 233 G CA 0.685 45.752 45.100 -0.055 0.000 0.634 233 G HN 0.756 nan 8.290 nan 0.000 0.539 234 G N -1.685 107.083 108.800 -0.054 0.000 2.340 234 G HA2 0.719 4.679 3.960 -0.000 0.000 0.299 234 G HA3 0.719 4.679 3.960 -0.000 0.000 0.299 234 G C 0.170 175.038 174.900 -0.054 0.000 1.291 234 G CA 0.850 45.921 45.100 -0.049 0.000 0.841 234 G HN 1.825 nan 8.290 nan 0.000 0.500 235 A N -1.136 121.653 122.820 -0.051 0.000 2.645 235 A HA 0.451 4.771 4.320 -0.000 0.000 0.233 235 A C 0.202 177.748 177.584 -0.063 0.000 1.100 235 A CA 0.688 52.691 52.037 -0.057 0.000 0.793 235 A CB -0.294 18.676 19.000 -0.049 0.000 1.028 235 A HN 1.134 nan 8.150 nan 0.000 0.516 236 L N 0.146 121.322 121.223 -0.078 0.000 2.341 236 L HA 0.536 4.876 4.340 -0.000 0.000 0.267 236 L C 0.353 177.169 176.870 -0.090 0.000 1.009 236 L CA -0.490 54.297 54.840 -0.088 0.000 0.819 236 L CB 2.137 44.123 42.059 -0.121 0.000 1.323 236 L HN 0.632 nan 8.230 nan 0.000 0.425 237 S N 2.501 118.155 115.700 -0.077 0.000 2.422 237 S HA 0.744 5.214 4.470 -0.000 0.000 0.308 237 S C -0.695 173.858 174.600 -0.079 0.000 1.097 237 S CA -0.498 57.663 58.200 -0.064 0.000 1.099 237 S CB 0.023 63.197 63.200 -0.043 0.000 0.976 237 S HN 0.407 nan 8.310 nan 0.000 0.471 238 L N 3.903 125.073 121.223 -0.088 0.000 2.354 238 L HA 0.574 4.914 4.340 -0.000 0.000 0.264 238 L C -0.112 176.758 176.870 -0.001 0.000 1.008 238 L CA -1.089 53.694 54.840 -0.095 0.000 0.819 238 L CB 1.902 43.791 42.059 -0.284 0.000 1.339 238 L HN 0.493 nan 8.230 nan 0.000 0.420 239 Q N 0.807 120.651 119.800 0.074 0.000 2.212 239 Q HA 0.367 4.707 4.340 -0.000 0.000 0.238 239 Q C -2.325 173.788 176.000 0.189 0.000 0.955 239 Q CA -1.819 54.050 55.803 0.111 0.000 0.906 239 Q CB 0.609 29.413 28.738 0.110 0.000 1.215 239 Q HN 0.327 nan 8.270 nan 0.000 0.478 240 P HA -0.089 nan 4.420 nan 0.000 0.258 240 P C -0.834 176.644 177.300 0.296 0.000 1.214 240 P CA 0.127 63.358 63.100 0.218 0.000 0.872 240 P CB -0.351 31.440 31.700 0.151 0.000 0.890 241 F N 4.055 124.185 119.950 0.300 0.000 2.480 241 F HA -0.144 4.383 4.527 -0.000 0.000 0.409 241 F C 0.810 176.703 175.800 0.155 0.000 0.979 241 F CA 0.631 58.793 58.000 0.270 0.000 1.184 241 F CB 0.285 39.441 39.000 0.259 0.000 0.925 241 F HN 0.221 nan 8.300 nan 0.000 0.543 242 R N 7.934 128.070 120.500 -0.605 0.000 2.343 242 R HA 0.249 4.589 4.340 -0.000 0.000 0.320 242 R C -1.433 174.553 176.300 -0.524 0.000 0.956 242 R CA -0.804 55.086 56.100 -0.350 0.000 0.836 242 R CB 0.874 31.111 30.300 -0.105 0.000 1.151 242 R HN 0.757 nan 8.270 nan 0.000 0.450 243 F N 6.531 126.289 119.950 -0.319 0.000 2.421 243 F HA 0.204 4.731 4.527 -0.000 0.000 0.358 243 F C -0.783 174.981 175.800 -0.061 0.000 1.115 243 F CA -0.779 57.108 58.000 -0.187 0.000 1.160 243 F CB 0.365 39.385 39.000 0.033 0.000 1.123 243 F HN 0.474 nan 8.300 nan 0.000 0.508 244 Y N 3.073 123.439 120.300 0.111 0.000 2.387 244 Y HA 0.482 5.032 4.550 -0.000 0.000 0.336 244 Y C -1.338 174.712 175.900 0.251 0.000 1.067 244 Y CA -1.989 56.206 58.100 0.157 0.000 1.114 244 Y CB 1.226 39.636 38.460 -0.083 0.000 1.208 244 Y HN 0.528 nan 8.280 nan 0.000 0.458 245 D N 6.105 126.810 120.400 0.509 0.000 2.472 245 D HA 0.354 4.994 4.640 -0.000 0.000 0.234 245 D C -1.906 174.697 176.300 0.506 0.000 1.088 245 D CA -2.618 51.639 54.000 0.428 0.000 0.882 245 D CB 1.360 42.359 40.800 0.333 0.000 1.037 245 D HN 0.405 nan 8.370 nan 0.000 0.520 246 P HA -0.068 nan 4.420 nan 0.000 0.226 246 P C 1.195 178.738 177.300 0.404 0.000 1.146 246 P CA 0.519 63.867 63.100 0.415 0.000 0.773 246 P CB 0.212 32.117 31.700 0.341 0.000 0.772 247 G N -0.109 108.881 108.800 0.317 0.000 2.848 247 G HA2 0.085 4.045 3.960 -0.000 0.000 0.208 247 G HA3 0.085 4.045 3.960 -0.000 0.000 0.208 247 G C 1.307 176.304 174.900 0.161 0.000 1.152 247 G CA 0.510 45.739 45.100 0.217 0.000 0.789 247 G HN 0.400 nan 8.290 nan 0.000 0.531 248 A N -0.614 122.314 122.820 0.181 0.000 2.430 248 A HA 0.705 5.025 4.320 -0.000 0.000 0.243 248 A C -0.040 177.269 177.584 -0.459 0.000 1.254 248 A CA -0.253 51.700 52.037 -0.139 0.000 0.914 248 A CB 0.222 19.076 19.000 -0.243 0.000 0.998 248 A HN 0.140 nan 8.150 nan 0.000 0.515 252 L N 2.541 123.654 121.223 -0.183 0.000 2.513 252 L HA 0.257 4.597 4.340 -0.000 0.000 0.256 252 L C -2.492 174.305 176.870 -0.122 0.000 1.163 252 L CA -1.426 53.302 54.840 -0.188 0.000 0.895 252 L CB 1.983 43.958 42.059 -0.139 0.000 1.076 252 L HN 0.334 nan 8.230 nan 0.000 0.491 253 P HA -0.046 nan 4.420 nan 0.000 0.271 253 P C 0.618 177.867 177.300 -0.085 0.000 1.233 253 P CA 0.105 63.160 63.100 -0.075 0.000 0.795 253 P CB 0.786 32.451 31.700 -0.058 0.000 0.936 254 E N 0.867 120.973 120.200 -0.156 0.000 2.023 254 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 254 E C 1.827 178.239 176.600 -0.314 0.000 1.003 254 E CA 1.557 57.707 56.400 -0.417 0.000 0.809 254 E CB -0.603 28.562 29.700 -0.891 0.000 0.755 254 E HN 0.431 nan 8.360 nan 0.000 0.449 255 A N 0.489 123.155 122.820 -0.257 0.000 1.908 255 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 255 A C 2.437 179.953 177.584 -0.112 0.000 1.181 255 A CA 2.336 54.271 52.037 -0.171 0.000 0.627 255 A CB -1.216 17.701 19.000 -0.138 0.000 0.818 255 A HN 0.426 nan 8.150 nan 0.000 0.445 256 T N 0.539 115.030 114.554 -0.105 0.000 2.607 256 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 256 T C 1.822 176.464 174.700 -0.097 0.000 1.049 256 T CA 1.569 63.608 62.100 -0.101 0.000 1.162 256 T CB -0.525 68.265 68.868 -0.131 0.000 0.863 256 T HN 0.367 nan 8.240 nan 0.000 0.424 257 L N 0.274 121.442 121.223 -0.092 0.000 2.051 257 L HA -0.233 4.107 4.340 -0.000 0.000 0.214 257 L C 2.940 179.783 176.870 -0.045 0.000 1.076 257 L CA 1.632 56.414 54.840 -0.096 0.000 0.758 257 L CB -0.430 41.623 42.059 -0.010 0.000 0.890 257 L HN 0.243 nan 8.230 nan 0.000 0.433 258 R N -0.774 119.725 120.500 -0.002 0.000 2.066 258 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 258 R C 2.427 178.715 176.300 -0.020 0.000 1.131 258 R CA 1.240 57.348 56.100 0.013 0.000 0.955 258 R CB -0.478 29.816 30.300 -0.010 0.000 0.851 258 R HN 0.362 nan 8.270 nan 0.000 0.432 259 A N 1.154 123.947 122.820 -0.044 0.000 1.865 259 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 259 A C 1.888 179.454 177.584 -0.030 0.000 1.191 259 A CA 1.404 53.415 52.037 -0.043 0.000 0.623 259 A CB -0.460 18.504 19.000 -0.060 0.000 0.826 259 A HN 0.126 nan 8.150 nan 0.000 0.444 260 L N -0.165 121.031 121.223 -0.044 0.000 2.622 260 L HA 0.034 4.374 4.340 -0.000 0.000 0.233 260 L C 0.552 177.407 176.870 -0.025 0.000 1.156 260 L CA 0.963 55.786 54.840 -0.028 0.000 0.866 260 L CB -1.051 40.969 42.059 -0.065 0.000 0.980 260 L HN 0.512 nan 8.230 nan 0.000 0.448 261 E N -1.552 118.631 120.200 -0.029 0.000 2.389 261 E HA -0.232 4.118 4.350 -0.000 0.000 0.243 261 E C 1.305 177.878 176.600 -0.046 0.000 1.154 261 E CA 0.248 56.636 56.400 -0.019 0.000 0.723 261 E CB -1.343 28.358 29.700 0.001 0.000 1.261 261 E HN 0.260 nan 8.360 nan 0.000 0.390 262 V N -0.754 119.088 119.914 -0.121 0.000 2.216 262 V HA -0.241 3.879 4.120 -0.000 0.000 0.243 262 V C 1.748 177.796 176.094 -0.076 0.000 1.044 262 V CA 2.493 64.660 62.300 -0.222 0.000 0.995 262 V CB -0.327 31.175 31.823 -0.534 0.000 0.633 262 V HN 0.409 nan 8.190 nan 0.000 0.446 263 F N -0.751 119.187 119.950 -0.021 0.000 2.243 263 F HA 0.177 4.704 4.527 -0.000 0.000 0.287 263 F C 1.328 177.114 175.800 -0.023 0.000 1.067 263 F CA -0.050 57.914 58.000 -0.059 0.000 1.304 263 F CB 0.226 39.118 39.000 -0.181 0.000 1.087 263 F HN 0.149 nan 8.300 nan 0.000 0.513 264 E N 1.689 121.986 120.200 0.160 0.000 2.222 264 E HA 0.245 4.595 4.350 -0.000 0.000 0.272 264 E C -2.461 174.178 176.600 0.065 0.000 0.982 264 E CA -2.208 54.250 56.400 0.097 0.000 0.842 264 E CB 1.064 30.813 29.700 0.082 0.000 1.144 264 E HN -0.111 nan 8.360 nan 0.000 0.397 265 P HA 0.164 nan 4.420 nan 0.000 0.298 265 P C 0.353 177.670 177.300 0.028 0.000 1.314 265 P CA -0.385 62.735 63.100 0.033 0.000 0.854 265 P CB 1.480 33.196 31.700 0.027 0.000 1.019 266 L N 1.708 122.944 121.223 0.021 0.000 1.955 266 L HA -0.038 4.302 4.340 -0.000 0.000 0.213 266 L C 1.627 178.505 176.870 0.015 0.000 1.072 266 L CA 1.629 56.479 54.840 0.017 0.000 0.755 266 L CB -0.385 41.681 42.059 0.011 0.000 0.888 266 L HN 0.495 nan 8.230 nan 0.000 0.432 267 R N -0.639 119.869 120.500 0.012 0.000 2.522 267 R HA 0.487 4.827 4.340 -0.000 0.000 0.283 267 R C -0.688 175.617 176.300 0.008 0.000 1.074 267 R CA 0.431 56.536 56.100 0.010 0.000 0.925 267 R CB 1.715 32.019 30.300 0.006 0.000 1.205 267 R HN 0.312 nan 8.270 nan 0.000 0.436 268 G N 2.501 111.306 108.800 0.007 0.000 2.225 268 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.203 268 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.203 268 G C -0.638 174.266 174.900 0.006 0.000 1.335 268 G CA -0.053 45.049 45.100 0.004 0.000 1.183 268 G HN 0.487 nan 8.290 nan 0.000 0.488 269 Q N -0.299 119.502 119.800 0.002 0.000 2.599 269 Q HA 0.298 4.638 4.340 -0.000 0.000 0.229 269 Q C 0.402 176.408 176.000 0.010 0.000 0.800 269 Q CA 0.585 56.392 55.803 0.007 0.000 0.937 269 Q CB 0.394 29.133 28.738 0.002 0.000 1.285 269 Q HN 0.563 nan 8.270 nan 0.000 0.600 270 D N 1.068 121.465 120.400 -0.005 0.000 2.371 270 D HA 0.341 4.981 4.640 -0.000 0.000 0.242 270 D C 0.267 176.568 176.300 0.001 0.000 1.218 270 D CA 0.584 54.579 54.000 -0.008 0.000 0.945 270 D CB 1.091 41.863 40.800 -0.046 0.000 1.137 270 D HN 0.248 nan 8.370 nan 0.000 0.464 271 T N -2.827 111.736 114.554 0.015 0.000 2.769 271 T HA 0.178 4.528 4.350 -0.000 0.000 0.306 271 T C 0.564 175.283 174.700 0.033 0.000 1.400 271 T CA -0.811 61.309 62.100 0.034 0.000 1.007 271 T CB 0.760 69.701 68.868 0.121 0.000 1.392 271 T HN 0.091 nan 8.240 nan 0.000 0.500 272 L N 0.440 121.678 121.223 0.025 0.000 2.127 272 L HA 0.169 4.509 4.340 -0.000 0.000 0.211 272 L C 1.872 178.826 176.870 0.139 0.000 1.089 272 L CA 1.751 56.607 54.840 0.027 0.000 0.757 272 L CB -1.439 40.617 42.059 -0.006 0.000 0.899 272 L HN 0.759 nan 8.230 nan 0.000 0.434 273 F N 0.211 120.217 119.950 0.092 0.000 2.060 273 F HA -0.215 4.312 4.527 -0.000 0.000 0.295 273 F C 2.912 178.755 175.800 0.072 0.000 1.120 273 F CA 1.809 59.889 58.000 0.132 0.000 1.205 273 F CB -0.999 38.128 39.000 0.211 0.000 0.986 273 F HN 0.337 nan 8.300 nan 0.000 0.470 274 S N 0.132 115.842 115.700 0.017 0.000 2.368 274 S HA -0.243 4.227 4.470 -0.000 0.000 0.226 274 S C 2.092 176.636 174.600 -0.095 0.000 1.044 274 S CA 2.197 60.343 58.200 -0.090 0.000 1.062 274 S CB -1.471 61.737 63.200 0.014 0.000 0.931 274 S HN 0.204 nan 8.310 nan 0.000 0.440 275 V N 1.794 121.703 119.914 -0.009 0.000 2.469 275 V HA -0.108 4.012 4.120 -0.000 0.000 0.251 275 V C 2.502 178.664 176.094 0.113 0.000 1.064 275 V CA 1.962 64.315 62.300 0.089 0.000 1.066 275 V CB -0.798 31.049 31.823 0.040 0.000 0.667 275 V HN 0.512 nan 8.190 nan 0.000 0.461 276 L N -0.435 120.784 121.223 -0.007 0.000 2.477 276 L HA 0.124 4.464 4.340 -0.000 0.000 0.220 276 L C 0.972 177.716 176.870 -0.211 0.000 1.106 276 L CA 0.162 54.988 54.840 -0.023 0.000 0.851 276 L CB -0.162 41.913 42.059 0.026 0.000 0.994 276 L HN 0.315 nan 8.230 nan 0.000 0.462 277 D N 1.028 121.174 120.400 -0.424 0.000 2.426 277 D HA -0.107 4.533 4.640 -0.000 0.000 0.271 277 D C 0.609 176.729 176.300 -0.299 0.000 1.376 277 D CA 0.603 54.265 54.000 -0.564 0.000 1.149 277 D CB 0.405 40.775 40.800 -0.718 0.000 1.118 277 D HN 0.011 nan 8.370 nan 0.000 0.529 278 E N 1.266 121.320 120.200 -0.243 0.000 2.759 278 E HA 0.097 4.447 4.350 -0.000 0.000 0.220 278 E C -0.278 176.219 176.600 -0.172 0.000 0.974 278 E CA -0.196 56.088 56.400 -0.194 0.000 1.148 278 E CB 0.621 30.209 29.700 -0.186 0.000 1.059 278 E HN 0.363 nan 8.360 nan 0.000 0.493 279 T N -0.322 114.126 114.554 -0.176 0.000 2.919 279 T HA 0.119 4.469 4.350 -0.000 0.000 0.302 279 T C 0.924 175.559 174.700 -0.108 0.000 1.031 279 T CA -0.085 61.925 62.100 -0.149 0.000 1.127 279 T CB 0.617 69.398 68.868 -0.145 0.000 0.952 279 T HN -0.014 nan 8.240 nan 0.000 0.540 280 R N 2.306 122.754 120.500 -0.086 0.000 2.312 280 R HA 0.150 4.490 4.340 -0.000 0.000 0.205 280 R C 0.856 177.150 176.300 -0.010 0.000 0.904 280 R CA 0.239 56.322 56.100 -0.028 0.000 1.052 280 R CB -0.006 30.294 30.300 -0.000 0.000 1.014 280 R HN 0.843 nan 8.270 nan 0.000 0.503 281 T N -4.226 110.299 114.554 -0.048 0.000 2.893 281 T HA 0.577 4.927 4.350 -0.000 0.000 0.291 281 T C 1.082 175.748 174.700 -0.057 0.000 1.028 281 T CA -0.275 61.797 62.100 -0.048 0.000 0.995 281 T CB 2.438 71.268 68.868 -0.063 0.000 1.051 281 T HN -0.051 nan 8.240 nan 0.000 0.470 282 A N 2.231 125.022 122.820 -0.049 0.000 1.940 282 A HA 0.110 4.430 4.320 -0.000 0.000 0.219 282 A C -0.517 177.025 177.584 -0.069 0.000 1.176 282 A CA 1.401 53.407 52.037 -0.052 0.000 0.631 282 A CB -1.901 17.068 19.000 -0.051 0.000 0.814 282 A HN 0.727 nan 8.150 nan 0.000 0.446 283 P HA -0.092 nan 4.420 nan 0.000 0.214 283 P C 1.867 179.091 177.300 -0.127 0.000 1.162 283 P CA 1.733 64.777 63.100 -0.093 0.000 0.879 283 P CB -0.388 31.261 31.700 -0.085 0.000 0.786 284 G N 0.479 109.192 108.800 -0.145 0.000 2.491 284 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.218 284 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.218 284 G C 1.686 176.475 174.900 -0.185 0.000 1.180 284 G CA 1.266 46.241 45.100 -0.208 0.000 0.774 284 G HN 0.249 nan 8.290 nan 0.000 0.562 285 R N 0.344 120.781 120.500 -0.104 0.000 2.117 285 R HA -0.073 4.267 4.340 -0.000 0.000 0.243 285 R C 2.555 178.838 176.300 -0.029 0.000 1.143 285 R CA 1.532 57.627 56.100 -0.008 0.000 0.968 285 R CB -0.357 29.972 30.300 0.047 0.000 0.863 285 R HN 0.300 nan 8.270 nan 0.000 0.444 286 R N 0.088 120.535 120.500 -0.088 0.000 2.148 286 R HA -0.087 4.253 4.340 -0.000 0.000 0.223 286 R C 2.262 178.488 176.300 -0.123 0.000 1.088 286 R CA 1.031 57.066 56.100 -0.109 0.000 0.985 286 R CB -0.284 29.955 30.300 -0.101 0.000 0.880 286 R HN 0.252 nan 8.270 nan 0.000 0.451 287 L N 0.887 121.998 121.223 -0.187 0.000 2.044 287 L HA -0.084 4.256 4.340 -0.000 0.000 0.205 287 L C 2.047 178.641 176.870 -0.460 0.000 1.075 287 L CA 1.383 56.039 54.840 -0.306 0.000 0.747 287 L CB -0.624 41.180 42.059 -0.426 0.000 0.903 287 L HN 0.071 nan 8.230 nan 0.000 0.435 288 L N -0.215 120.777 121.223 -0.387 0.000 1.989 288 L HA -0.262 4.078 4.340 -0.000 0.000 0.211 288 L C 2.569 179.455 176.870 0.027 0.000 1.071 288 L CA 2.198 56.892 54.840 -0.243 0.000 0.749 288 L CB -0.885 41.139 42.059 -0.058 0.000 0.890 288 L HN 0.507 nan 8.230 nan 0.000 0.431 289 Q N -1.007 118.809 119.800 0.027 0.000 2.152 289 Q HA -0.273 4.067 4.340 -0.000 0.000 0.206 289 Q C 2.374 178.374 176.000 0.001 0.000 0.985 289 Q CA 2.097 57.851 55.803 -0.081 0.000 0.863 289 Q CB -0.218 28.281 28.738 -0.398 0.000 0.904 289 Q HN 0.726 nan 8.270 nan 0.000 0.422 290 S N -0.653 115.065 115.700 0.030 0.000 2.343 290 S HA -0.174 4.296 4.470 -0.000 0.000 0.219 290 S C 1.359 176.131 174.600 0.287 0.000 1.033 290 S CA 1.343 59.627 58.200 0.140 0.000 1.014 290 S CB -0.470 62.867 63.200 0.228 0.000 0.915 290 S HN 0.601 nan 8.310 nan 0.000 0.435 291 W N 1.940 123.278 121.300 0.063 0.000 2.305 291 W HA -0.093 4.567 4.660 -0.000 0.000 0.308 291 W C 2.275 178.840 176.519 0.077 0.000 1.226 291 W CA 0.561 57.963 57.345 0.095 0.000 1.253 291 W CB -1.371 28.155 29.460 0.109 0.000 1.146 291 W HN 0.336 nan 8.180 nan 0.000 0.507 292 L N -0.480 120.936 121.223 0.322 0.000 1.961 292 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 292 L C 2.513 179.404 176.870 0.035 0.000 1.072 292 L CA 1.607 56.569 54.840 0.203 0.000 0.749 292 L CB -1.113 41.153 42.059 0.345 0.000 0.889 292 L HN -0.132 nan 8.230 nan 0.000 0.432 293 R N -1.077 119.419 120.500 -0.006 0.000 2.303 293 R HA -0.092 4.248 4.340 -0.000 0.000 0.225 293 R C -0.150 175.749 176.300 -0.668 0.000 1.114 293 R CA 0.700 56.577 56.100 -0.371 0.000 1.007 293 R CB -0.074 29.894 30.300 -0.553 0.000 0.861 293 R HN 0.407 nan 8.270 nan 0.000 0.471 294 H N -1.282 117.756 119.070 -0.055 0.000 2.651 294 H HA 0.277 4.833 4.556 -0.000 0.000 0.252 294 H C -2.511 172.822 175.328 0.009 0.000 1.365 294 H CA -2.822 53.130 56.048 -0.160 0.000 1.539 294 H CB 1.025 30.531 29.762 -0.427 0.000 1.621 294 H HN -0.037 nan 8.280 nan 0.000 0.526 295 P HA 0.084 nan 4.420 nan 0.000 0.273 295 P C 0.626 178.071 177.300 0.242 0.000 1.250 295 P CA -0.278 62.919 63.100 0.162 0.000 0.793 295 P CB 1.340 33.110 31.700 0.117 0.000 1.011 296 L N 0.092 121.395 121.223 0.132 0.000 2.544 296 L HA 0.409 4.749 4.340 -0.000 0.000 0.256 296 L C 1.357 178.231 176.870 0.007 0.000 1.097 296 L CA -0.579 54.297 54.840 0.060 0.000 0.812 296 L CB 0.298 42.318 42.059 -0.065 0.000 1.440 296 L HN 0.348 nan 8.230 nan 0.000 0.496 297 L N -1.821 119.346 121.223 -0.094 0.000 2.603 297 L HA 0.214 4.554 4.340 -0.000 0.000 0.189 297 L C 0.015 176.797 176.870 -0.146 0.000 1.082 297 L CA -0.211 54.574 54.840 -0.091 0.000 0.921 297 L CB 0.380 42.382 42.059 -0.096 0.000 1.694 297 L HN 0.531 nan 8.230 nan 0.000 0.491 298 D N 1.482 121.775 120.400 -0.177 0.000 2.414 298 D HA 0.005 4.645 4.640 -0.000 0.000 0.242 298 D C 0.673 176.815 176.300 -0.263 0.000 1.129 298 D CA 0.189 54.078 54.000 -0.184 0.000 0.885 298 D CB 1.938 42.641 40.800 -0.163 0.000 1.198 298 D HN 0.098 nan 8.370 nan 0.000 0.437 299 R N 2.159 122.491 120.500 -0.281 0.000 2.090 299 R HA -0.095 4.245 4.340 -0.000 0.000 0.228 299 R C 1.990 178.100 176.300 -0.318 0.000 1.110 299 R CA 1.382 57.233 56.100 -0.415 0.000 0.973 299 R CB -0.536 29.578 30.300 -0.309 0.000 0.869 299 R HN 0.576 nan 8.270 nan 0.000 0.440 300 G N 1.899 110.580 108.800 -0.198 0.000 2.529 300 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.219 300 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.219 300 G C -0.789 174.032 174.900 -0.132 0.000 1.177 300 G CA 0.896 45.914 45.100 -0.136 0.000 0.773 300 G HN 0.430 nan 8.290 nan 0.000 0.573 301 P HA 0.009 nan 4.420 nan 0.000 0.216 301 P C 2.167 179.381 177.300 -0.143 0.000 1.153 301 P CA 0.675 63.696 63.100 -0.132 0.000 0.844 301 P CB -0.141 31.470 31.700 -0.147 0.000 0.787 302 L N -0.017 121.074 121.223 -0.220 0.000 1.989 302 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 302 L C 2.818 179.657 176.870 -0.052 0.000 1.071 302 L CA 1.767 56.493 54.840 -0.190 0.000 0.749 302 L CB -1.091 40.663 42.059 -0.509 0.000 0.890 302 L HN -0.095 nan 8.230 nan 0.000 0.431 303 E N 0.013 120.140 120.200 -0.121 0.000 2.049 303 E HA -0.308 4.042 4.350 -0.000 0.000 0.198 303 E C 2.306 178.932 176.600 0.042 0.000 1.007 303 E CA 1.591 57.999 56.400 0.014 0.000 0.809 303 E CB -0.606 29.074 29.700 -0.034 0.000 0.749 303 E HN 0.516 nan 8.360 nan 0.000 0.450 304 A N 1.617 124.438 122.820 0.002 0.000 1.927 304 A HA -0.283 4.037 4.320 -0.000 0.000 0.220 304 A C 2.221 179.838 177.584 0.056 0.000 1.185 304 A CA 2.136 54.186 52.037 0.022 0.000 0.639 304 A CB -0.568 18.436 19.000 0.008 0.000 0.820 304 A HN 0.175 nan 8.150 nan 0.000 0.451 305 R N -0.845 119.702 120.500 0.078 0.000 2.062 305 R HA 0.078 4.418 4.340 -0.000 0.000 0.229 305 R C 2.089 178.506 176.300 0.196 0.000 1.128 305 R CA 1.281 57.479 56.100 0.164 0.000 0.960 305 R CB -0.445 29.954 30.300 0.166 0.000 0.855 305 R HN 0.505 nan 8.270 nan 0.000 0.432 306 L N 0.826 122.180 121.223 0.218 0.000 2.201 306 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 306 L C 1.687 178.698 176.870 0.234 0.000 1.105 306 L CA 1.000 56.010 54.840 0.283 0.000 0.775 306 L CB -0.466 41.748 42.059 0.260 0.000 0.913 306 L HN 0.217 nan 8.230 nan 0.000 0.440 307 D N 0.023 120.508 120.400 0.141 0.000 2.097 307 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 307 D C 2.323 178.676 176.300 0.088 0.000 0.984 307 D CA 0.980 55.041 54.000 0.103 0.000 0.826 307 D CB -0.035 40.801 40.800 0.059 0.000 0.973 307 D HN 0.269 nan 8.370 nan 0.000 0.460 308 R N 0.700 121.213 120.500 0.022 0.000 2.070 308 R HA -0.087 4.253 4.340 -0.000 0.000 0.233 308 R C 2.531 178.813 176.300 -0.030 0.000 1.137 308 R CA 0.744 56.784 56.100 -0.101 0.000 0.945 308 R CB -0.902 29.144 30.300 -0.423 0.000 0.845 308 R HN 0.116 nan 8.270 nan 0.000 0.430 309 V N 1.429 121.363 119.914 0.034 0.000 2.380 309 V HA -0.245 3.874 4.120 -0.000 0.000 0.251 309 V C 2.285 178.432 176.094 0.088 0.000 1.063 309 V CA 1.934 64.279 62.300 0.076 0.000 1.055 309 V CB -0.573 31.366 31.823 0.193 0.000 0.657 309 V HN 0.426 nan 8.190 nan 0.000 0.455 310 E N 0.096 120.482 120.200 0.311 0.000 2.338 310 E HA -0.115 4.235 4.350 -0.000 0.000 0.197 310 E C 2.178 178.890 176.600 0.186 0.000 1.007 310 E CA 0.843 57.480 56.400 0.396 0.000 0.849 310 E CB -0.212 29.707 29.700 0.366 0.000 0.774 310 E HN 0.635 nan 8.360 nan 0.000 0.506 311 G N 0.631 109.517 108.800 0.143 0.000 2.505 311 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.214 311 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.214 311 G C 0.961 175.874 174.900 0.022 0.000 1.237 311 G CA 0.378 45.518 45.100 0.067 0.000 0.802 311 G HN 0.249 nan 8.290 nan 0.000 0.549 312 F N 0.664 120.589 119.950 -0.042 0.000 2.664 312 F HA 0.080 4.607 4.527 -0.000 0.000 0.297 312 F C 2.313 178.079 175.800 -0.056 0.000 1.164 312 F CA 0.032 58.008 58.000 -0.040 0.000 1.472 312 F CB 0.046 39.026 39.000 -0.034 0.000 1.108 312 F HN -0.034 nan 8.300 nan 0.000 0.596 313 V N -0.948 119.013 119.914 0.078 0.000 2.795 313 V HA -0.031 4.089 4.120 -0.000 0.000 0.243 313 V C 2.005 178.123 176.094 0.040 0.000 1.069 313 V CA 0.885 63.202 62.300 0.028 0.000 1.089 313 V CB -0.187 31.632 31.823 -0.007 0.000 0.756 313 V HN 0.121 nan 8.190 nan 0.000 0.471 314 R N 0.278 120.804 120.500 0.043 0.000 2.313 314 R HA 0.084 4.424 4.340 -0.000 0.000 0.199 314 R C 0.423 176.713 176.300 -0.017 0.000 0.958 314 R CA 0.342 56.458 56.100 0.027 0.000 1.047 314 R CB 0.187 30.509 30.300 0.037 0.000 0.955 314 R HN 0.275 nan 8.270 nan 0.000 0.481 315 E N -0.451 119.721 120.200 -0.046 0.000 4.044 315 E HA 0.176 4.526 4.350 -0.000 0.000 0.216 315 E C 0.839 177.398 176.600 -0.068 0.000 1.104 315 E CA -0.247 56.098 56.400 -0.092 0.000 1.383 315 E CB 0.552 30.131 29.700 -0.202 0.000 1.195 315 E HN 0.237 nan 8.360 nan 0.000 0.442 316 G N 1.247 110.032 108.800 -0.026 0.000 2.732 316 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.222 316 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.222 316 G C 1.573 176.467 174.900 -0.010 0.000 1.203 316 G CA 1.440 46.534 45.100 -0.010 0.000 0.780 316 G HN 0.515 nan 8.290 nan 0.000 0.621 317 A N 0.160 122.967 122.820 -0.022 0.000 1.892 317 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 317 A C 2.452 180.025 177.584 -0.018 0.000 1.188 317 A CA 2.170 54.196 52.037 -0.018 0.000 0.631 317 A CB -0.602 18.384 19.000 -0.024 0.000 0.822 317 A HN 0.658 nan 8.150 nan 0.000 0.447 318 L N -0.200 120.987 121.223 -0.061 0.000 2.043 318 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 318 L C 2.468 179.344 176.870 0.010 0.000 1.075 318 L CA 2.526 57.304 54.840 -0.104 0.000 0.752 318 L CB -0.647 41.241 42.059 -0.286 0.000 0.891 318 L HN 0.487 nan 8.230 nan 0.000 0.432 319 R N -0.898 119.658 120.500 0.092 0.000 2.090 319 R HA -0.116 4.224 4.340 -0.000 0.000 0.228 319 R C 2.089 178.484 176.300 0.159 0.000 1.110 319 R CA 1.086 57.389 56.100 0.339 0.000 0.973 319 R CB -0.078 30.396 30.300 0.290 0.000 0.869 319 R HN 0.457 nan 8.270 nan 0.000 0.440 320 E N -0.312 119.931 120.200 0.072 0.000 2.070 320 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 320 E C 1.790 178.416 176.600 0.044 0.000 1.004 320 E CA 1.459 57.879 56.400 0.033 0.000 0.805 320 E CB -0.369 29.337 29.700 0.010 0.000 0.744 320 E HN 0.533 nan 8.360 nan 0.000 0.451 321 G N 1.515 110.348 108.800 0.055 0.000 2.666 321 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.215 321 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.215 321 G C 1.820 176.766 174.900 0.077 0.000 1.294 321 G CA 1.566 46.700 45.100 0.057 0.000 0.811 321 G HN 0.188 nan 8.290 nan 0.000 0.594 322 V N 1.106 121.095 119.914 0.125 0.000 2.317 322 V HA -0.303 3.817 4.120 -0.000 0.000 0.251 322 V C 2.970 179.106 176.094 0.070 0.000 1.065 322 V CA 2.470 64.844 62.300 0.122 0.000 1.049 322 V CB -0.649 31.303 31.823 0.216 0.000 0.651 322 V HN 0.346 nan 8.190 nan 0.000 0.450 323 R N -0.272 120.263 120.500 0.059 0.000 2.080 323 R HA -0.130 4.210 4.340 -0.000 0.000 0.236 323 R C 2.566 178.886 176.300 0.034 0.000 1.137 323 R CA 1.668 57.777 56.100 0.015 0.000 0.943 323 R CB -0.399 29.894 30.300 -0.011 0.000 0.846 323 R HN 0.490 nan 8.270 nan 0.000 0.431 324 R N 0.570 121.094 120.500 0.039 0.000 2.120 324 R HA -0.067 4.273 4.340 -0.000 0.000 0.234 324 R C 2.331 178.692 176.300 0.102 0.000 1.123 324 R CA 1.061 57.198 56.100 0.062 0.000 0.975 324 R CB -0.272 30.051 30.300 0.039 0.000 0.866 324 R HN 0.255 nan 8.270 nan 0.000 0.446 325 L N 0.364 121.630 121.223 0.072 0.000 2.044 325 L HA -0.107 4.233 4.340 -0.000 0.000 0.205 325 L C 2.295 179.197 176.870 0.052 0.000 1.075 325 L CA 1.014 55.888 54.840 0.056 0.000 0.747 325 L CB -0.550 41.536 42.059 0.044 0.000 0.903 325 L HN 0.147 nan 8.230 nan 0.000 0.435 326 L N -1.047 120.207 121.223 0.052 0.000 2.261 326 L HA -0.183 4.157 4.340 -0.000 0.000 0.216 326 L C 1.635 178.545 176.870 0.068 0.000 1.114 326 L CA 0.309 55.169 54.840 0.033 0.000 0.777 326 L CB -0.738 41.326 42.059 0.009 0.000 0.910 326 L HN 0.201 nan 8.230 nan 0.000 0.440 341 L N 0.898 122.105 121.223 -0.027 0.000 2.728 341 L HA 0.302 4.642 4.340 -0.000 0.000 0.238 341 L C 0.845 177.698 176.870 -0.028 0.000 1.143 341 L CA 0.411 55.233 54.840 -0.031 0.000 0.937 341 L CB 0.804 42.843 42.059 -0.033 0.000 1.225 341 L HN 0.310 nan 8.230 nan 0.000 0.507 342 G N 1.618 110.404 108.800 -0.024 0.000 2.352 342 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.283 342 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.283 342 G C 0.490 175.376 174.900 -0.023 0.000 0.946 342 G CA 0.497 45.584 45.100 -0.022 0.000 1.317 342 G HN 0.536 nan 8.290 nan 0.000 0.478 343 R N -0.613 119.873 120.500 -0.023 0.000 2.433 343 R HA 0.331 4.671 4.340 -0.000 0.000 0.322 343 R C 1.137 177.423 176.300 -0.023 0.000 0.808 343 R CA 0.172 56.258 56.100 -0.024 0.000 1.046 343 R CB 0.320 30.604 30.300 -0.026 0.000 1.740 343 R HN 0.776 nan 8.270 nan 0.000 0.490 344 A N 2.240 125.046 122.820 -0.022 0.000 2.906 344 A HA 0.247 4.567 4.320 -0.000 0.000 0.289 344 A C 0.749 178.321 177.584 -0.021 0.000 1.675 344 A CA -0.048 51.976 52.037 -0.022 0.000 1.372 344 A CB -0.447 18.541 19.000 -0.021 0.000 1.091 344 A HN 0.342 nan 8.150 nan 0.000 0.579 345 S N 2.728 118.415 115.700 -0.021 0.000 2.586 345 S HA 0.091 4.561 4.470 -0.000 0.000 0.256 345 S C -0.754 173.835 174.600 -0.020 0.000 1.392 345 S CA 0.112 58.300 58.200 -0.020 0.000 0.983 345 S CB -0.050 63.138 63.200 -0.020 0.000 0.897 345 S HN 0.530 nan 8.310 nan 0.000 0.566 346 P HA -0.078 nan 4.420 nan 0.000 0.216 346 P C 1.332 178.619 177.300 -0.020 0.000 1.153 346 P CA 1.244 64.333 63.100 -0.018 0.000 0.844 346 P CB -0.023 31.667 31.700 -0.017 0.000 0.787 347 K N 0.790 121.177 120.400 -0.021 0.000 2.074 347 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 347 K C 1.888 178.472 176.600 -0.027 0.000 1.048 347 K CA 1.833 58.105 56.287 -0.024 0.000 0.926 347 K CB -1.040 31.446 32.500 -0.024 0.000 0.713 347 K HN -0.026 nan 8.250 nan 0.000 0.444 348 D N 0.266 120.651 120.400 -0.026 0.000 2.123 348 D HA -0.186 4.454 4.640 -0.000 0.000 0.196 348 D C 1.924 178.207 176.300 -0.027 0.000 0.992 348 D CA 1.366 55.349 54.000 -0.028 0.000 0.833 348 D CB -0.065 40.719 40.800 -0.027 0.000 0.954 348 D HN 0.261 nan 8.370 nan 0.000 0.455 349 L N 0.722 121.931 121.223 -0.024 0.000 2.083 349 L HA -0.087 4.253 4.340 -0.000 0.000 0.209 349 L C 2.689 179.545 176.870 -0.024 0.000 1.083 349 L CA 1.153 55.980 54.840 -0.022 0.000 0.752 349 L CB -0.729 41.319 42.059 -0.019 0.000 0.899 349 L HN 0.067 nan 8.230 nan 0.000 0.433 350 G N -0.108 108.678 108.800 -0.025 0.000 2.476 350 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.218 350 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.218 350 G C 1.747 176.629 174.900 -0.031 0.000 1.164 350 G CA 1.020 46.104 45.100 -0.027 0.000 0.768 350 G HN 0.486 nan 8.290 nan 0.000 0.560 351 A N 0.260 123.058 122.820 -0.036 0.000 1.855 351 A HA 0.249 4.569 4.320 -0.000 0.000 0.215 351 A C 1.597 179.158 177.584 -0.038 0.000 1.191 351 A CA 1.105 53.116 52.037 -0.043 0.000 0.613 351 A CB -0.630 18.341 19.000 -0.047 0.000 0.829 351 A HN 0.514 nan 8.150 nan 0.000 0.442 519 E N 1.148 121.357 120.200 0.015 0.000 2.786 519 E HA -0.411 3.939 4.350 -0.000 0.000 0.237 519 E C 1.530 178.140 176.600 0.018 0.000 0.950 519 E CA 2.901 59.313 56.400 0.021 0.000 1.380 519 E CB -0.417 29.298 29.700 0.025 0.000 1.351 519 E HN 0.482 nan 8.360 nan 0.000 0.484 520 A N 0.949 123.778 122.820 0.015 0.000 1.884 520 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 520 A C 2.520 180.105 177.584 0.003 0.000 1.197 520 A CA 3.577 55.623 52.037 0.014 0.000 0.637 520 A CB -1.315 17.692 19.000 0.011 0.000 0.827 520 A HN 0.692 nan 8.150 nan 0.000 0.450 521 A N -0.221 122.595 122.820 -0.007 0.000 1.927 521 A HA -0.262 4.058 4.320 -0.000 0.000 0.220 521 A C 2.213 179.778 177.584 -0.032 0.000 1.185 521 A CA 1.875 53.899 52.037 -0.022 0.000 0.639 521 A CB -0.599 18.386 19.000 -0.025 0.000 0.820 521 A HN 0.629 nan 8.150 nan 0.000 0.451 522 R N -0.628 119.861 120.500 -0.019 0.000 2.120 522 R HA -0.015 4.325 4.340 -0.000 0.000 0.234 522 R C 1.553 177.839 176.300 -0.024 0.000 1.123 522 R CA 1.514 57.602 56.100 -0.020 0.000 0.975 522 R CB -0.432 29.874 30.300 0.010 0.000 0.866 522 R HN 0.599 nan 8.270 nan 0.000 0.446 523 I N 0.541 121.110 120.570 -0.001 0.000 3.793 523 I HA -0.056 4.114 4.170 -0.000 0.000 0.315 523 I C 1.737 177.848 176.117 -0.010 0.000 1.275 523 I CA 0.304 61.614 61.300 0.017 0.000 1.214 523 I CB 0.100 38.134 38.000 0.057 0.000 1.018 523 I HN 0.106 nan 8.210 nan 0.000 0.439 524 L N 0.482 121.682 121.223 -0.038 0.000 2.200 524 L HA 0.109 4.449 4.340 -0.000 0.000 0.200 524 L C 2.826 179.624 176.870 -0.119 0.000 1.072 524 L CA 0.864 55.672 54.840 -0.052 0.000 0.787 524 L CB -0.494 41.543 42.059 -0.036 0.000 0.957 524 L HN 0.182 nan 8.230 nan 0.000 0.459 525 A N -0.034 122.704 122.820 -0.136 0.000 1.978 525 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 525 A C 2.161 179.549 177.584 -0.326 0.000 1.170 525 A CA 1.903 53.822 52.037 -0.196 0.000 0.636 525 A CB -0.499 18.399 19.000 -0.170 0.000 0.810 525 A HN 0.465 nan 8.150 nan 0.000 0.448 526 E N -0.322 119.677 120.200 -0.335 0.000 2.077 526 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 526 E C 1.815 177.896 176.600 -0.866 0.000 0.989 526 E CA 1.147 57.205 56.400 -0.571 0.000 0.800 526 E CB -0.150 29.383 29.700 -0.279 0.000 0.746 526 E HN 0.663 nan 8.360 nan 0.000 0.452 527 L N 0.161 121.148 121.223 -0.394 0.000 2.270 527 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 527 L C 2.071 178.765 176.870 -0.293 0.000 1.104 527 L CA 0.805 55.510 54.840 -0.226 0.000 0.804 527 L CB -0.075 41.966 42.059 -0.030 0.000 0.937 527 L HN 0.120 nan 8.230 nan 0.000 0.450 528 D N -0.528 119.714 120.400 -0.263 0.000 2.350 528 D HA -0.120 4.519 4.640 -0.000 0.000 0.216 528 D C 1.799 177.949 176.300 -0.250 0.000 0.968 528 D CA 0.694 54.567 54.000 -0.212 0.000 0.894 528 D CB 0.430 41.132 40.800 -0.163 0.000 0.909 528 D HN 0.039 nan 8.370 nan 0.000 0.520 529 V N -0.798 118.905 119.914 -0.351 0.000 3.048 529 V HA -0.016 4.104 4.120 -0.000 0.000 0.241 529 V C 1.539 177.490 176.094 -0.239 0.000 1.129 529 V CA 0.260 62.365 62.300 -0.325 0.000 1.128 529 V CB -0.648 30.907 31.823 -0.446 0.000 0.849 529 V HN 0.254 nan 8.190 nan 0.000 0.475 530 Y N 0.853 120.978 120.300 -0.292 0.000 2.228 530 Y HA -0.327 4.223 4.550 -0.000 0.000 0.285 530 Y C 2.503 178.172 175.900 -0.385 0.000 1.178 530 Y CA 1.116 59.031 58.100 -0.308 0.000 1.202 530 Y CB -0.138 38.061 38.460 -0.435 0.000 0.974 530 Y HN 0.325 nan 8.280 nan 0.000 0.527 531 A N -0.315 122.332 122.820 -0.289 0.000 1.911 531 A HA 0.061 4.381 4.320 -0.000 0.000 0.212 531 A C 2.350 179.840 177.584 -0.156 0.000 1.189 531 A CA 0.923 52.815 52.037 -0.241 0.000 0.639 531 A CB -1.025 17.832 19.000 -0.238 0.000 0.839 531 A HN 0.360 nan 8.150 nan 0.000 0.449 532 A N 0.600 123.322 122.820 -0.164 0.000 1.869 532 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 532 A C 2.160 179.662 177.584 -0.136 0.000 1.203 532 A CA 1.845 53.790 52.037 -0.153 0.000 0.638 532 A CB -0.981 17.920 19.000 -0.164 0.000 0.831 532 A HN 0.498 nan 8.150 nan 0.000 0.450 533 L N -0.935 120.226 121.223 -0.103 0.000 1.990 533 L HA -0.278 4.061 4.340 -0.000 0.000 0.213 533 L C 3.082 179.879 176.870 -0.121 0.000 1.072 533 L CA 1.529 56.334 54.840 -0.059 0.000 0.755 533 L CB -0.857 41.202 42.059 -0.001 0.000 0.889 533 L HN 0.460 nan 8.230 nan 0.000 0.432 534 A N -0.500 122.221 122.820 -0.164 0.000 2.024 534 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 534 A C 2.160 179.643 177.584 -0.167 0.000 1.164 534 A CA 1.854 53.772 52.037 -0.199 0.000 0.643 534 A CB -0.429 18.487 19.000 -0.140 0.000 0.806 534 A HN 0.381 nan 8.150 nan 0.000 0.451 535 E N -0.601 119.501 120.200 -0.163 0.000 2.285 535 E HA -0.012 4.338 4.350 -0.000 0.000 0.194 535 E C 1.774 178.206 176.600 -0.279 0.000 0.997 535 E CA 0.900 57.186 56.400 -0.190 0.000 0.845 535 E CB -0.100 29.492 29.700 -0.179 0.000 0.782 535 E HN 0.330 nan 8.360 nan 0.000 0.491 536 V N 0.093 119.841 119.914 -0.277 0.000 2.379 536 V HA -0.055 4.065 4.120 -0.000 0.000 0.243 536 V C 2.190 178.005 176.094 -0.466 0.000 1.035 536 V CA 1.460 63.535 62.300 -0.374 0.000 1.035 536 V CB -0.685 31.042 31.823 -0.161 0.000 0.673 536 V HN 0.332 nan 8.190 nan 0.000 0.457 537 A N -0.504 122.135 122.820 -0.301 0.000 2.125 537 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 537 A C 2.237 179.714 177.584 -0.179 0.000 1.156 537 A CA 1.755 53.659 52.037 -0.223 0.000 0.671 537 A CB -0.348 18.629 19.000 -0.038 0.000 0.794 537 A HN 0.352 nan 8.150 nan 0.000 0.459 538 V N -1.018 118.774 119.914 -0.203 0.000 2.581 538 V HA -0.032 4.088 4.120 -0.000 0.000 0.240 538 V C 2.463 178.455 176.094 -0.170 0.000 1.054 538 V CA 1.506 63.723 62.300 -0.138 0.000 1.076 538 V CB -0.490 31.262 31.823 -0.118 0.000 0.748 538 V HN 0.646 nan 8.190 nan 0.000 0.474 539 R N -0.696 119.635 120.500 -0.281 0.000 2.092 539 R HA -0.101 4.239 4.340 -0.000 0.000 0.231 539 R C 1.848 178.017 176.300 -0.218 0.000 1.119 539 R CA 1.745 57.650 56.100 -0.326 0.000 0.970 539 R CB -0.146 29.819 30.300 -0.558 0.000 0.864 539 R HN 0.615 nan 8.270 nan 0.000 0.440 540 Y N -0.557 119.552 120.300 -0.318 0.000 2.458 540 Y HA 0.253 4.803 4.550 -0.000 0.000 0.256 540 Y C 0.780 176.487 175.900 -0.322 0.000 1.159 540 Y CA -0.404 57.483 58.100 -0.354 0.000 1.261 540 Y CB 1.141 39.276 38.460 -0.541 0.000 1.119 540 Y HN 0.320 nan 8.280 nan 0.000 0.524 541 G N 1.333 110.063 108.800 -0.117 0.000 2.354 541 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.278 541 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.278 541 G C -0.777 174.238 174.900 0.192 0.000 0.953 541 G CA -0.090 45.022 45.100 0.020 0.000 1.346 541 G HN 0.249 nan 8.290 nan 0.000 0.467 542 Y N -0.989 119.410 120.300 0.164 0.000 2.518 542 Y HA 0.759 5.309 4.550 -0.000 0.000 0.332 542 Y C 0.948 176.991 175.900 0.237 0.000 1.276 542 Y CA -1.324 56.889 58.100 0.188 0.000 1.418 542 Y CB 1.184 39.775 38.460 0.220 0.000 1.527 542 Y HN 0.816 nan 8.280 nan 0.000 0.549 543 V N -1.403 118.737 119.914 0.377 0.000 3.114 543 V HA 0.633 4.753 4.120 -0.000 0.000 0.308 543 V C -0.770 175.180 176.094 -0.240 0.000 1.168 543 V CA -1.577 60.812 62.300 0.148 0.000 1.015 543 V CB 2.012 33.864 31.823 0.047 0.000 1.050 543 V HN 0.739 nan 8.190 nan 0.000 0.433 544 R N 3.264 123.284 120.500 -0.801 0.000 2.298 544 R HA 0.516 4.856 4.340 -0.000 0.000 0.310 544 R C -2.469 173.532 176.300 -0.499 0.000 1.068 544 R CA -1.456 53.936 56.100 -1.180 0.000 0.957 544 R CB 1.273 30.712 30.300 -1.435 0.000 1.003 544 R HN 0.769 nan 8.270 nan 0.000 0.454 545 P HA 0.228 nan 4.420 nan 0.000 0.297 545 P C -1.141 175.888 177.300 -0.451 0.000 1.342 545 P CA -0.595 62.286 63.100 -0.365 0.000 0.801 545 P CB 1.094 32.549 31.700 -0.408 0.000 0.920 546 R N 3.018 123.351 120.500 -0.279 0.000 2.539 546 R HA 0.423 4.763 4.340 -0.000 0.000 0.275 546 R C 0.404 176.481 176.300 -0.372 0.000 1.077 546 R CA -0.291 55.657 56.100 -0.253 0.000 1.097 546 R CB -0.134 30.013 30.300 -0.255 0.000 1.018 546 R HN 0.374 nan 8.270 nan 0.000 0.483 547 F N -0.850 118.993 119.950 -0.178 0.000 2.410 547 F HA 0.689 5.216 4.527 -0.000 0.000 0.324 547 F C 1.385 177.069 175.800 -0.195 0.000 1.093 547 F CA 0.281 58.174 58.000 -0.178 0.000 1.028 547 F CB 1.352 40.264 39.000 -0.147 0.000 1.309 547 F HN 0.662 nan 8.300 nan 0.000 0.499 548 G N -0.047 108.787 108.800 0.056 0.000 2.452 548 G HA2 0.041 4.001 3.960 -0.000 0.000 0.224 548 G HA3 0.041 4.001 3.960 -0.000 0.000 0.224 548 G C -0.736 174.168 174.900 0.006 0.000 1.208 548 G CA 0.030 45.128 45.100 -0.004 0.000 0.946 548 G HN 0.547 nan 8.290 nan 0.000 0.481 549 D N -0.172 120.251 120.400 0.038 0.000 2.423 549 D HA 0.108 4.748 4.640 -0.000 0.000 0.208 549 D C 0.534 176.902 176.300 0.115 0.000 1.068 549 D CA 0.246 54.304 54.000 0.098 0.000 0.860 549 D CB 0.491 41.380 40.800 0.148 0.000 0.992 549 D HN 0.411 nan 8.370 nan 0.000 0.504 550 R N 0.561 121.115 120.500 0.089 0.000 2.604 550 R HA 0.519 4.859 4.340 -0.000 0.000 0.287 550 R C -0.392 175.964 176.300 0.093 0.000 0.970 550 R CA -0.737 55.438 56.100 0.125 0.000 0.946 550 R CB 2.288 32.663 30.300 0.125 0.000 1.127 550 R HN 0.002 nan 8.270 nan 0.000 0.473 551 L N 2.938 124.237 121.223 0.128 0.000 2.277 551 L HA 0.296 4.636 4.340 -0.000 0.000 0.284 551 L C -0.934 175.985 176.870 0.082 0.000 1.028 551 L CA -0.219 54.666 54.840 0.076 0.000 0.835 551 L CB 0.844 42.983 42.059 0.134 0.000 1.215 551 L HN 0.606 nan 8.230 nan 0.000 0.425 552 Q N 6.192 126.017 119.800 0.043 0.000 2.310 552 Q HA 0.493 4.833 4.340 -0.000 0.000 0.270 552 Q C -1.085 174.889 176.000 -0.044 0.000 1.025 552 Q CA -0.427 55.373 55.803 -0.006 0.000 0.772 552 Q CB 3.055 31.745 28.738 -0.080 0.000 1.253 552 Q HN 0.626 nan 8.270 nan 0.000 0.450 553 I N 2.743 123.305 120.570 -0.013 0.000 2.428 553 I HA 0.291 4.461 4.170 -0.000 0.000 0.279 553 I C -0.182 175.931 176.117 -0.006 0.000 1.040 553 I CA -0.676 60.615 61.300 -0.016 0.000 1.171 553 I CB 0.990 38.994 38.000 0.007 0.000 1.312 553 I HN 0.321 nan 8.210 nan 0.000 0.470 554 R N 6.433 126.910 120.500 -0.038 0.000 2.387 554 R HA 0.403 4.743 4.340 -0.000 0.000 0.321 554 R C 0.573 176.877 176.300 0.007 0.000 1.174 554 R CA 0.405 56.491 56.100 -0.024 0.000 1.002 554 R CB -0.097 30.171 30.300 -0.053 0.000 1.028 554 R HN 0.781 nan 8.270 nan 0.000 0.482 555 A N 3.149 125.984 122.820 0.026 0.000 2.360 555 A HA -0.126 4.194 4.320 -0.000 0.000 0.289 555 A C 0.563 178.184 177.584 0.061 0.000 1.437 555 A CA 0.723 52.785 52.037 0.041 0.000 0.734 555 A CB -1.912 17.110 19.000 0.037 0.000 1.145 555 A HN 0.915 nan 8.150 nan 0.000 0.374 556 G N -0.290 108.552 108.800 0.071 0.000 2.557 556 G HA2 0.703 4.663 3.960 -0.000 0.000 0.292 556 G HA3 0.703 4.663 3.960 -0.000 0.000 0.292 556 G C 0.048 175.054 174.900 0.176 0.000 1.237 556 G CA -0.384 44.768 45.100 0.087 0.000 0.978 556 G HN 0.952 nan 8.290 nan 0.000 0.498 557 R N -2.206 118.435 120.500 0.234 0.000 2.734 557 R HA 0.259 4.599 4.340 -0.000 0.000 0.271 557 R C -1.574 174.906 176.300 0.299 0.000 1.021 557 R CA -0.966 55.464 56.100 0.550 0.000 0.893 557 R CB 1.521 32.105 30.300 0.474 0.000 1.244 557 R HN 0.638 nan 8.270 nan 0.000 0.464 558 H N 4.049 123.103 119.070 -0.027 0.000 2.908 558 H HA 0.198 4.754 4.556 -0.000 0.000 0.269 558 H C -1.595 173.494 175.328 -0.398 0.000 1.303 558 H CA -2.320 53.569 56.048 -0.265 0.000 1.341 558 H CB 0.916 30.494 29.762 -0.306 0.000 1.519 558 H HN 0.264 nan 8.280 nan 0.000 0.505 559 P HA -0.270 nan 4.420 nan 0.000 0.218 559 P C 1.084 178.150 177.300 -0.391 0.000 1.150 559 P CA 1.317 64.233 63.100 -0.307 0.000 0.841 559 P CB 0.462 31.989 31.700 -0.288 0.000 0.784 560 V N 0.326 119.868 119.914 -0.622 0.000 2.221 560 V HA -0.168 3.952 4.120 -0.000 0.000 0.242 560 V C 2.858 178.710 176.094 -0.403 0.000 1.041 560 V CA 1.885 63.875 62.300 -0.515 0.000 0.995 560 V CB -1.563 29.880 31.823 -0.634 0.000 0.635 560 V HN -0.075 nan 8.190 nan 0.000 0.448 561 V N 0.436 120.117 119.914 -0.389 0.000 2.759 561 V HA -0.241 3.879 4.120 -0.000 0.000 0.256 561 V C 2.512 178.362 176.094 -0.406 0.000 1.080 561 V CA 1.972 64.118 62.300 -0.255 0.000 1.101 561 V CB -0.760 31.013 31.823 -0.082 0.000 0.698 561 V HN 0.710 nan 8.190 nan 0.000 0.477 562 E N 0.809 120.655 120.200 -0.590 0.000 2.130 562 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 562 E C 1.430 177.858 176.600 -0.287 0.000 0.998 562 E CA 0.951 57.054 56.400 -0.495 0.000 0.806 562 E CB 0.067 29.535 29.700 -0.385 0.000 0.738 562 E HN 0.439 nan 8.360 nan 0.000 0.459 563 R N 0.548 120.851 120.500 -0.328 0.000 3.298 563 R HA 0.125 4.465 4.340 -0.000 0.000 0.249 563 R C 0.400 176.598 176.300 -0.170 0.000 1.563 563 R CA 0.143 56.059 56.100 -0.307 0.000 1.378 563 R CB 0.115 30.137 30.300 -0.462 0.000 1.250 563 R HN 0.158 nan 8.270 nan 0.000 0.580 564 R N -0.784 119.641 120.500 -0.125 0.000 2.532 564 R HA 0.126 4.466 4.340 -0.000 0.000 0.312 564 R C -0.110 176.173 176.300 -0.028 0.000 0.923 564 R CA 0.294 56.353 56.100 -0.068 0.000 1.115 564 R CB 0.954 31.213 30.300 -0.067 0.000 1.703 564 R HN 0.286 nan 8.270 nan 0.000 0.498 565 T N -2.053 112.492 114.554 -0.015 0.000 2.676 565 T HA 0.199 4.548 4.350 -0.000 0.000 0.308 565 T C -0.732 174.016 174.700 0.080 0.000 1.740 565 T CA -0.928 61.193 62.100 0.034 0.000 0.982 565 T CB 1.683 70.583 68.868 0.053 0.000 1.724 565 T HN -0.100 nan 8.240 nan 0.000 0.497 566 E N 0.031 120.291 120.200 0.099 0.000 2.442 566 E HA 0.300 4.650 4.350 -0.000 0.000 0.262 566 E C -1.403 175.340 176.600 0.239 0.000 1.004 566 E CA 0.227 56.706 56.400 0.131 0.000 0.928 566 E CB 0.346 30.103 29.700 0.094 0.000 0.937 566 E HN 0.463 nan 8.360 nan 0.000 0.446 567 F N 3.583 123.550 119.950 0.029 0.000 2.610 567 F HA 0.177 4.704 4.527 -0.000 0.000 0.355 567 F C -0.796 175.030 175.800 0.043 0.000 1.140 567 F CA -0.887 57.127 58.000 0.024 0.000 1.037 567 F CB 0.863 39.870 39.000 0.011 0.000 1.287 567 F HN 0.071 nan 8.300 nan 0.000 0.457 568 V N 8.478 128.245 119.914 -0.245 0.000 2.409 568 V HA 0.149 4.269 4.120 -0.000 0.000 0.270 568 V C -1.576 174.258 176.094 -0.433 0.000 1.019 568 V CA -1.078 61.094 62.300 -0.214 0.000 1.066 568 V CB -0.573 31.196 31.823 -0.090 0.000 1.021 568 V HN 0.554 nan 8.190 nan 0.000 0.476 569 P HA 0.154 nan 4.420 nan 0.000 0.280 569 P C -0.490 176.744 177.300 -0.110 0.000 1.278 569 P CA -0.154 62.847 63.100 -0.164 0.000 0.787 569 P CB 0.975 32.674 31.700 -0.002 0.000 1.163 570 N N -1.395 117.303 118.700 -0.003 0.000 3.039 570 N HA 0.318 5.058 4.740 -0.000 0.000 0.257 570 N C -1.333 174.243 175.510 0.110 0.000 1.497 570 N CA -0.338 52.750 53.050 0.065 0.000 0.861 570 N CB 1.566 40.159 38.487 0.177 0.000 1.479 570 N HN 0.411 nan 8.380 nan 0.000 0.547 571 D N 0.558 121.035 120.400 0.128 0.000 2.547 571 D HA 0.669 5.309 4.640 -0.000 0.000 0.231 571 D C -0.935 175.474 176.300 0.182 0.000 1.099 571 D CA -0.234 53.834 54.000 0.114 0.000 0.901 571 D CB 2.873 43.706 40.800 0.055 0.000 1.478 571 D HN 0.268 nan 8.370 nan 0.000 0.471 572 L N 0.551 121.861 121.223 0.145 0.000 2.592 572 L HA 0.317 4.657 4.340 -0.000 0.000 0.258 572 L C -1.399 175.542 176.870 0.118 0.000 0.926 572 L CA -0.158 54.790 54.840 0.180 0.000 0.885 572 L CB 2.170 44.380 42.059 0.251 0.000 1.380 572 L HN 0.388 nan 8.230 nan 0.000 0.415 576 H N -0.565 117.988 119.070 -0.862 0.000 2.899 576 H HA -0.157 4.399 4.556 -0.000 0.000 0.282 576 H C 0.250 175.431 175.328 -0.245 0.000 1.198 576 H CA 1.887 57.504 56.048 -0.717 0.000 1.140 576 H CB -1.453 28.059 29.762 -0.416 0.000 1.317 576 H HN 0.908 nan 8.280 nan 0.000 0.375 577 E N 0.447 120.620 120.200 -0.045 0.000 2.284 577 E HA 0.644 4.994 4.350 -0.000 0.000 0.255 577 E C 0.419 177.086 176.600 0.112 0.000 1.052 577 E CA -1.024 55.421 56.400 0.075 0.000 0.904 577 E CB 1.970 31.718 29.700 0.080 0.000 1.217 577 E HN 0.135 nan 8.360 nan 0.000 0.438 578 L N 1.405 122.704 121.223 0.126 0.000 2.298 578 L HA 0.406 4.746 4.340 -0.000 0.000 0.284 578 L C -1.550 175.373 176.870 0.089 0.000 1.013 578 L CA -0.836 54.078 54.840 0.124 0.000 0.824 578 L CB 0.986 43.107 42.059 0.102 0.000 1.221 578 L HN 0.275 nan 8.230 nan 0.000 0.418 579 V N 6.440 126.429 119.914 0.124 0.000 2.304 579 V HA 0.319 4.439 4.120 -0.000 0.000 0.278 579 V C 0.406 176.570 176.094 0.116 0.000 1.018 579 V CA -0.548 61.819 62.300 0.112 0.000 0.814 579 V CB 1.115 33.029 31.823 0.151 0.000 1.021 579 V HN 0.678 nan 8.190 nan 0.000 0.440 580 L N 5.089 126.334 121.223 0.037 0.000 2.452 580 L HA 0.416 4.756 4.340 -0.000 0.000 0.267 580 L C -0.248 176.659 176.870 0.063 0.000 1.188 580 L CA -0.060 54.779 54.840 -0.001 0.000 0.821 580 L CB 0.556 42.541 42.059 -0.123 0.000 1.102 580 L HN 0.407 nan 8.230 nan 0.000 0.470 581 I N 1.519 122.139 120.570 0.083 0.000 2.493 581 I HA 0.219 4.389 4.170 -0.000 0.000 0.279 581 I C 0.280 176.437 176.117 0.067 0.000 1.045 581 I CA -0.162 61.186 61.300 0.080 0.000 1.106 581 I CB 1.187 39.258 38.000 0.119 0.000 1.216 581 I HN 0.685 nan 8.210 nan 0.000 0.459 582 T N 1.726 116.323 114.554 0.073 0.000 2.898 582 T HA 0.930 5.280 4.350 -0.000 0.000 0.283 582 T C 0.516 175.283 174.700 0.113 0.000 1.059 582 T CA -0.234 61.910 62.100 0.073 0.000 0.958 582 T CB 2.000 70.870 68.868 0.005 0.000 1.594 582 T HN 1.013 nan 8.240 nan 0.000 0.598 583 G N 0.631 109.491 108.800 0.100 0.000 2.549 583 G HA2 0.142 4.102 3.960 -0.000 0.000 0.404 583 G HA3 0.142 4.102 3.960 -0.000 0.000 0.404 583 G C -3.215 171.710 174.900 0.041 0.000 1.292 583 G CA -0.498 44.653 45.100 0.085 0.000 0.935 583 G HN 0.805 nan 8.290 nan 0.000 0.512 584 P HA 0.326 nan 4.420 nan 0.000 0.282 584 P C -0.264 177.121 177.300 0.141 0.000 1.287 584 P CA -0.685 62.413 63.100 -0.002 0.000 0.792 584 P CB 0.829 32.512 31.700 -0.029 0.000 1.163 588 G N 0.247 109.183 108.800 0.226 0.000 2.238 588 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 588 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 588 G C 1.141 176.120 174.900 0.132 0.000 0.996 588 G CA 0.836 46.008 45.100 0.121 0.000 0.632 588 G HN 0.470 nan 8.290 nan 0.000 0.503 589 K N 0.632 121.101 120.400 0.114 0.000 1.998 589 K HA -0.233 4.087 4.320 -0.000 0.000 0.228 589 K C 2.684 179.383 176.600 0.165 0.000 1.053 589 K CA 2.375 58.744 56.287 0.135 0.000 0.988 589 K CB -0.620 31.943 32.500 0.104 0.000 0.735 589 K HN 0.401 nan 8.250 nan 0.000 0.448 590 S N -0.034 115.714 115.700 0.080 0.000 2.392 590 S HA -0.197 4.273 4.470 -0.000 0.000 0.225 590 S C 1.947 176.536 174.600 -0.019 0.000 1.041 590 S CA 2.550 60.763 58.200 0.022 0.000 1.100 590 S CB -0.674 62.521 63.200 -0.008 0.000 1.029 590 S HN 0.430 nan 8.310 nan 0.000 0.424 591 T N 1.276 115.794 114.554 -0.060 0.000 2.760 591 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 591 T C 1.338 175.956 174.700 -0.138 0.000 1.047 591 T CA 1.657 63.630 62.100 -0.211 0.000 1.139 591 T CB -0.603 68.158 68.868 -0.179 0.000 0.855 591 T HN 0.543 nan 8.240 nan 0.000 0.471 592 F N 1.359 121.252 119.950 -0.096 0.000 2.234 592 F HA 0.058 4.585 4.527 -0.000 0.000 0.299 592 F C 1.692 177.475 175.800 -0.030 0.000 1.087 592 F CA 0.776 58.751 58.000 -0.043 0.000 1.340 592 F CB -0.361 38.626 39.000 -0.021 0.000 1.031 592 F HN 0.072 nan 8.300 nan 0.000 0.500 593 L N 0.096 121.258 121.223 -0.102 0.000 2.023 593 L HA -0.132 4.208 4.340 -0.000 0.000 0.205 593 L C 2.647 179.397 176.870 -0.201 0.000 1.073 593 L CA 1.375 56.119 54.840 -0.160 0.000 0.745 593 L CB -0.847 41.191 42.059 -0.035 0.000 0.900 593 L HN -0.073 nan 8.230 nan 0.000 0.435 594 R N 0.006 120.412 120.500 -0.157 0.000 2.080 594 R HA -0.250 4.090 4.340 -0.000 0.000 0.236 594 R C 2.279 178.541 176.300 -0.063 0.000 1.137 594 R CA 1.794 57.832 56.100 -0.104 0.000 0.943 594 R CB -0.737 29.500 30.300 -0.104 0.000 0.846 594 R HN 0.435 nan 8.270 nan 0.000 0.431 595 Q N 0.701 120.440 119.800 -0.101 0.000 2.290 595 Q HA -0.214 4.126 4.340 -0.000 0.000 0.211 595 Q C 1.156 177.107 176.000 -0.083 0.000 0.991 595 Q CA 2.340 58.162 55.803 0.032 0.000 0.893 595 Q CB -0.031 28.707 28.738 0.001 0.000 0.913 595 Q HN 0.440 nan 8.270 nan 0.000 0.428 596 T N -0.572 113.857 114.554 -0.209 0.000 2.901 596 T HA 0.154 4.504 4.350 -0.000 0.000 0.252 596 T C 1.913 176.560 174.700 -0.088 0.000 1.035 596 T CA 0.748 62.738 62.100 -0.183 0.000 1.142 596 T CB -0.448 68.259 68.868 -0.267 0.000 0.869 596 T HN 0.419 nan 8.240 nan 0.000 0.442 597 A N 2.169 124.931 122.820 -0.098 0.000 1.859 597 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 597 A C 2.333 179.893 177.584 -0.040 0.000 1.198 597 A CA 1.568 53.557 52.037 -0.080 0.000 0.629 597 A CB -1.237 17.707 19.000 -0.093 0.000 0.830 597 A HN 0.452 nan 8.150 nan 0.000 0.446 598 L N -0.524 120.676 121.223 -0.037 0.000 1.963 598 L HA -0.292 4.048 4.340 -0.000 0.000 0.220 598 L C 2.585 179.428 176.870 -0.044 0.000 1.076 598 L CA 2.025 56.839 54.840 -0.044 0.000 0.772 598 L CB -0.809 41.218 42.059 -0.053 0.000 0.892 598 L HN 0.426 nan 8.230 nan 0.000 0.435 599 I N -0.206 120.332 120.570 -0.053 0.000 2.145 599 I HA -0.390 3.780 4.170 -0.000 0.000 0.244 599 I C 2.843 178.945 176.117 -0.024 0.000 1.075 599 I CA 1.446 62.707 61.300 -0.064 0.000 1.332 599 I CB -0.651 37.310 38.000 -0.065 0.000 1.033 599 I HN 0.323 nan 8.210 nan 0.000 0.410 600 A N 0.803 123.644 122.820 0.035 0.000 1.865 600 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 600 A C 2.261 179.909 177.584 0.107 0.000 1.191 600 A CA 1.951 54.067 52.037 0.132 0.000 0.623 600 A CB -0.957 18.244 19.000 0.336 0.000 0.826 600 A HN 0.392 nan 8.150 nan 0.000 0.444 601 L N -0.133 121.131 121.223 0.069 0.000 1.989 601 L HA -0.132 4.208 4.340 -0.000 0.000 0.211 601 L C 2.342 179.251 176.870 0.066 0.000 1.071 601 L CA 1.902 56.774 54.840 0.053 0.000 0.749 601 L CB -0.881 41.175 42.059 -0.005 0.000 0.890 601 L HN 0.417 nan 8.230 nan 0.000 0.431 602 L N -0.559 120.684 121.223 0.033 0.000 2.081 602 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 602 L C 2.574 179.497 176.870 0.090 0.000 1.080 602 L CA 1.365 56.235 54.840 0.049 0.000 0.754 602 L CB -0.833 41.209 42.059 -0.029 0.000 0.893 602 L HN 0.460 nan 8.230 nan 0.000 0.433 603 A N -0.861 121.990 122.820 0.052 0.000 1.874 603 A HA -0.163 4.157 4.320 -0.000 0.000 0.214 603 A C 2.115 179.820 177.584 0.202 0.000 1.189 603 A CA 0.938 53.004 52.037 0.047 0.000 0.615 603 A CB -0.341 18.575 19.000 -0.140 0.000 0.830 603 A HN 0.444 nan 8.150 nan 0.000 0.443 604 Q N -0.482 119.438 119.800 0.199 0.000 2.500 604 Q HA -0.021 4.319 4.340 -0.000 0.000 0.213 604 Q C 1.701 177.799 176.000 0.163 0.000 0.974 604 Q CA 1.034 56.966 55.803 0.215 0.000 0.918 604 Q CB -0.123 28.721 28.738 0.176 0.000 0.980 604 Q HN 0.497 nan 8.270 nan 0.000 0.505 605 V N -0.576 119.450 119.914 0.187 0.000 3.125 605 V HA 0.186 4.306 4.120 -0.000 0.000 0.249 605 V C 0.933 177.218 176.094 0.319 0.000 1.113 605 V CA 1.532 63.974 62.300 0.236 0.000 1.106 605 V CB 0.519 32.501 31.823 0.265 0.000 0.768 605 V HN 0.498 nan 8.190 nan 0.000 0.468 606 G N 0.845 109.827 108.800 0.305 0.000 2.186 606 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.130 606 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.130 606 G C 0.117 175.265 174.900 0.413 0.000 1.031 606 G CA 0.473 45.798 45.100 0.375 0.000 0.697 606 G HN 1.289 nan 8.290 nan 0.000 0.494 607 S N -0.839 115.071 115.700 0.349 0.000 2.709 607 S HA 0.894 5.364 4.470 -0.000 0.000 0.302 607 S C -0.352 174.537 174.600 0.481 0.000 1.127 607 S CA -1.015 57.405 58.200 0.367 0.000 0.905 607 S CB 1.985 65.350 63.200 0.275 0.000 1.151 607 S HN 0.494 nan 8.310 nan 0.000 0.510 608 F N 1.251 121.304 119.950 0.172 0.000 2.371 608 F HA 0.573 5.100 4.527 -0.000 0.000 0.329 608 F C 0.757 176.604 175.800 0.079 0.000 1.107 608 F CA -1.287 56.800 58.000 0.144 0.000 1.137 608 F CB 1.507 40.630 39.000 0.205 0.000 1.214 608 F HN 0.641 nan 8.300 nan 0.000 0.536 609 V N 0.190 120.166 119.914 0.104 0.000 3.096 609 V HA 0.666 4.786 4.120 -0.000 0.000 0.319 609 V C -2.647 173.287 176.094 -0.267 0.000 1.103 609 V CA -2.698 59.465 62.300 -0.228 0.000 1.016 609 V CB 1.701 33.425 31.823 -0.166 0.000 1.090 609 V HN 0.580 nan 8.190 nan 0.000 0.449 610 P HA 0.478 nan 4.420 nan 0.000 0.268 610 P C -0.340 176.979 177.300 0.032 0.000 1.541 610 P CA 0.513 63.540 63.100 -0.121 0.000 1.093 610 P CB 0.591 32.172 31.700 -0.198 0.000 1.551 611 A N 3.041 125.914 122.820 0.088 0.000 3.865 611 A HA 0.492 4.812 4.320 -0.000 0.000 0.284 611 A C 0.462 178.092 177.584 0.076 0.000 1.105 611 A CA -0.222 51.853 52.037 0.065 0.000 0.605 611 A CB 0.808 19.814 19.000 0.009 0.000 1.594 611 A HN 0.295 nan 8.150 nan 0.000 0.741 612 E N -1.222 119.001 120.200 0.037 0.000 2.905 612 E HA 0.253 4.603 4.350 -0.000 0.000 0.197 612 E C 0.132 176.731 176.600 -0.001 0.000 1.016 612 E CA 0.372 56.791 56.400 0.031 0.000 1.307 612 E CB 0.652 30.366 29.700 0.022 0.000 1.255 612 E HN 0.551 nan 8.360 nan 0.000 0.527 613 E N -0.490 119.690 120.200 -0.033 0.000 2.392 613 E HA 0.700 5.050 4.350 -0.000 0.000 0.269 613 E C -1.925 174.619 176.600 -0.093 0.000 0.924 613 E CA -0.873 55.482 56.400 -0.075 0.000 0.784 613 E CB 2.153 31.779 29.700 -0.123 0.000 1.292 613 E HN 0.145 nan 8.360 nan 0.000 0.447 614 A N 2.866 125.627 122.820 -0.099 0.000 2.511 614 A HA 0.310 4.630 4.320 -0.000 0.000 0.292 614 A C -1.943 175.651 177.584 0.017 0.000 1.045 614 A CA -0.530 51.457 52.037 -0.083 0.000 0.870 614 A CB 0.413 19.358 19.000 -0.092 0.000 1.361 614 A HN 0.706 nan 8.150 nan 0.000 0.396 615 H N 2.633 121.622 119.070 -0.134 0.000 2.595 615 H HA 0.599 5.155 4.556 -0.000 0.000 0.313 615 H C -0.660 174.556 175.328 -0.188 0.000 1.023 615 H CA -0.556 55.398 56.048 -0.157 0.000 1.218 615 H CB 1.278 30.989 29.762 -0.085 0.000 1.403 615 H HN 0.549 nan 8.280 nan 0.000 0.477 616 L N 5.272 126.378 121.223 -0.195 0.000 2.319 616 L HA 0.514 4.854 4.340 -0.000 0.000 0.267 616 L C -2.312 174.352 176.870 -0.342 0.000 1.011 616 L CA -2.128 52.518 54.840 -0.323 0.000 0.818 616 L CB 2.164 43.982 42.059 -0.401 0.000 1.316 616 L HN 0.444 nan 8.230 nan 0.000 0.432 617 P HA 0.259 nan 4.420 nan 0.000 0.301 617 P C -0.933 176.078 177.300 -0.483 0.000 1.309 617 P CA -0.602 62.229 63.100 -0.448 0.000 0.782 617 P CB 1.457 32.807 31.700 -0.584 0.000 1.282 618 L N 0.816 121.894 121.223 -0.242 0.000 2.449 618 L HA 0.317 4.657 4.340 -0.000 0.000 0.255 618 L C 0.378 177.211 176.870 -0.063 0.000 1.167 618 L CA -0.693 54.065 54.840 -0.138 0.000 1.090 618 L CB -1.101 40.900 42.059 -0.098 0.000 1.385 618 L HN 0.250 nan 8.230 nan 0.000 0.411 619 F N 2.109 122.043 119.950 -0.027 0.000 2.629 619 F HA -0.137 4.390 4.527 -0.000 0.000 0.377 619 F C 1.855 177.672 175.800 0.028 0.000 1.101 619 F CA -0.124 57.860 58.000 -0.026 0.000 1.301 619 F CB 0.668 39.630 39.000 -0.063 0.000 1.062 619 F HN 0.571 nan 8.300 nan 0.000 0.583 620 D N 1.620 122.191 120.400 0.285 0.000 2.213 620 D HA 0.092 4.732 4.640 -0.000 0.000 0.205 620 D C 0.722 177.114 176.300 0.155 0.000 0.961 620 D CA 0.815 54.931 54.000 0.192 0.000 0.853 620 D CB 0.306 41.224 40.800 0.196 0.000 0.967 620 D HN 0.545 nan 8.370 nan 0.000 0.496 621 G N -0.210 108.678 108.800 0.147 0.000 2.692 621 G HA2 0.540 4.500 3.960 -0.000 0.000 0.291 621 G HA3 0.540 4.500 3.960 -0.000 0.000 0.291 621 G C -1.409 173.377 174.900 -0.191 0.000 1.423 621 G CA -0.808 44.237 45.100 -0.092 0.000 0.843 621 G HN 0.124 nan 8.290 nan 0.000 0.486 622 I N 1.667 121.980 120.570 -0.428 0.000 2.698 622 I HA 0.226 4.396 4.170 -0.000 0.000 0.276 622 I C -1.038 174.883 176.117 -0.327 0.000 1.166 622 I CA -0.537 60.585 61.300 -0.297 0.000 1.101 622 I CB 0.705 38.576 38.000 -0.215 0.000 1.305 622 I HN 0.315 nan 8.210 nan 0.000 0.526 623 Y N 3.072 123.308 120.300 -0.105 0.000 2.320 623 Y HA 0.568 5.118 4.550 -0.000 0.000 0.324 623 Y C 1.206 177.039 175.900 -0.112 0.000 1.190 623 Y CA -0.644 57.400 58.100 -0.093 0.000 1.215 623 Y CB 1.060 39.475 38.460 -0.075 0.000 1.221 623 Y HN 0.432 nan 8.280 nan 0.000 0.486 624 T N -0.866 113.710 114.554 0.037 0.000 2.676 624 T HA 0.787 5.137 4.350 -0.000 0.000 0.269 624 T C -0.737 173.926 174.700 -0.062 0.000 0.952 624 T CA -1.158 60.920 62.100 -0.038 0.000 1.040 624 T CB 1.947 70.775 68.868 -0.067 0.000 1.352 624 T HN 0.484 nan 8.240 nan 0.000 0.554 625 R N 0.180 120.621 120.500 -0.099 0.000 2.812 625 R HA 0.362 4.702 4.340 -0.000 0.000 0.179 625 R C -1.912 174.309 176.300 -0.132 0.000 1.407 625 R CA -0.180 55.844 56.100 -0.127 0.000 1.031 625 R CB -1.068 29.132 30.300 -0.167 0.000 1.491 625 R HN 0.822 nan 8.270 nan 0.000 0.619 626 I N 1.152 121.659 120.570 -0.105 0.000 2.693 626 I HA 0.750 4.920 4.170 -0.000 0.000 0.303 626 I C 1.368 177.438 176.117 -0.078 0.000 1.025 626 I CA -0.639 60.605 61.300 -0.093 0.000 1.086 626 I CB 1.798 39.752 38.000 -0.077 0.000 1.268 626 I HN 0.550 nan 8.210 nan 0.000 0.440 627 G N 3.738 112.496 108.800 -0.069 0.000 2.568 627 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.334 627 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.334 627 G C 0.367 175.236 174.900 -0.053 0.000 1.348 627 G CA 0.843 45.912 45.100 -0.052 0.000 0.949 627 G HN 2.025 nan 8.290 nan 0.000 0.532 636 K N 0.757 121.161 120.400 0.007 0.000 2.362 636 K HA 0.678 4.998 4.320 -0.000 0.000 0.245 636 K C 0.005 176.621 176.600 0.027 0.000 1.040 636 K CA 0.370 56.668 56.287 0.018 0.000 0.961 636 K CB 1.057 33.565 32.500 0.014 0.000 1.252 636 K HN 0.881 nan 8.250 nan 0.000 0.503 637 S N -1.437 114.292 115.700 0.049 0.000 2.664 637 S HA 0.204 4.674 4.470 -0.000 0.000 0.304 637 S C 0.936 175.577 174.600 0.068 0.000 1.099 637 S CA -0.495 57.744 58.200 0.064 0.000 1.003 637 S CB 1.242 64.499 63.200 0.094 0.000 1.092 637 S HN 0.563 nan 8.310 nan 0.000 0.525 638 T N 1.286 115.876 114.554 0.060 0.000 2.649 638 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 638 T C 0.736 175.448 174.700 0.020 0.000 1.036 638 T CA 1.737 63.855 62.100 0.030 0.000 1.157 638 T CB -0.857 68.037 68.868 0.044 0.000 0.861 638 T HN 0.544 nan 8.240 nan 0.000 0.445 645 E N 1.307 121.438 120.200 -0.116 0.000 2.033 645 E HA -0.179 4.171 4.350 -0.000 0.000 0.199 645 E C 2.095 178.631 176.600 -0.106 0.000 1.011 645 E CA 2.058 58.393 56.400 -0.107 0.000 0.815 645 E CB 0.078 29.704 29.700 -0.124 0.000 0.755 645 E HN 0.013 nan 8.360 nan 0.000 0.451 646 V N 1.492 121.328 119.914 -0.131 0.000 2.332 646 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 646 V C 2.408 178.439 176.094 -0.106 0.000 1.055 646 V CA 1.762 63.985 62.300 -0.127 0.000 1.038 646 V CB -0.979 30.762 31.823 -0.137 0.000 0.651 646 V HN 0.320 nan 8.190 nan 0.000 0.450 647 A N 0.372 123.136 122.820 -0.093 0.000 1.869 647 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 647 A C 2.229 179.763 177.584 -0.084 0.000 1.203 647 A CA 2.396 54.388 52.037 -0.075 0.000 0.638 647 A CB -0.733 18.229 19.000 -0.064 0.000 0.831 647 A HN 0.500 nan 8.150 nan 0.000 0.450 648 L N -0.443 120.731 121.223 -0.082 0.000 1.978 648 L HA -0.283 4.057 4.340 -0.000 0.000 0.218 648 L C 2.623 179.403 176.870 -0.151 0.000 1.075 648 L CA 2.063 56.855 54.840 -0.079 0.000 0.767 648 L CB -0.981 41.056 42.059 -0.037 0.000 0.890 648 L HN 0.492 nan 8.230 nan 0.000 0.434 649 I N -0.105 120.358 120.570 -0.178 0.000 2.113 649 I HA -0.370 3.800 4.170 -0.000 0.000 0.242 649 I C 2.543 178.486 176.117 -0.290 0.000 1.064 649 I CA 1.654 62.762 61.300 -0.320 0.000 1.320 649 I CB -0.697 37.182 38.000 -0.202 0.000 1.028 649 I HN 0.238 nan 8.210 nan 0.000 0.406 650 L N 0.565 121.687 121.223 -0.169 0.000 2.127 650 L HA -0.183 4.157 4.340 -0.000 0.000 0.211 650 L C 2.063 178.861 176.870 -0.120 0.000 1.089 650 L CA 1.526 56.294 54.840 -0.120 0.000 0.757 650 L CB -0.617 41.397 42.059 -0.074 0.000 0.899 650 L HN 0.287 nan 8.230 nan 0.000 0.434 651 K N -0.385 119.941 120.400 -0.124 0.000 2.437 651 K HA 0.069 4.389 4.320 -0.000 0.000 0.198 651 K C 0.722 177.260 176.600 -0.103 0.000 1.024 651 K CA 0.206 56.437 56.287 -0.094 0.000 1.148 651 K CB 0.396 32.857 32.500 -0.065 0.000 0.860 651 K HN 0.363 nan 8.250 nan 0.000 0.515 652 E N -0.395 119.687 120.200 -0.197 0.000 2.640 652 E HA 0.099 4.449 4.350 -0.000 0.000 0.197 652 E C -0.165 176.250 176.600 -0.309 0.000 0.925 652 E CA -0.072 56.212 56.400 -0.194 0.000 1.604 652 E CB 0.617 30.233 29.700 -0.139 0.000 1.769 652 E HN 0.161 nan 8.360 nan 0.000 0.965 653 A N 1.815 124.341 122.820 -0.491 0.000 2.520 653 A HA 0.322 4.642 4.320 -0.000 0.000 0.235 653 A C 0.387 177.909 177.584 -0.103 0.000 1.065 653 A CA 0.906 52.725 52.037 -0.364 0.000 0.764 653 A CB 0.598 19.416 19.000 -0.305 0.000 1.002 653 A HN 0.086 nan 8.150 nan 0.000 0.502 654 T N -1.282 113.280 114.554 0.014 0.000 2.669 654 T HA 0.358 4.708 4.350 -0.000 0.000 0.283 654 T C 1.079 175.850 174.700 0.118 0.000 1.019 654 T CA 0.240 62.377 62.100 0.061 0.000 1.039 654 T CB 0.913 69.836 68.868 0.092 0.000 1.374 654 T HN 0.785 nan 8.240 nan 0.000 0.523 655 E N 0.729 120.998 120.200 0.115 0.000 2.472 655 E HA -0.077 4.273 4.350 -0.000 0.000 0.200 655 E C 0.503 177.325 176.600 0.371 0.000 1.046 655 E CA 1.016 57.506 56.400 0.149 0.000 0.871 655 E CB -0.081 29.634 29.700 0.025 0.000 0.806 655 E HN 0.450 nan 8.360 nan 0.000 0.533 656 N N 0.302 119.225 118.700 0.371 0.000 2.210 656 N HA 0.063 4.803 4.740 -0.000 0.000 0.203 656 N C -0.113 175.692 175.510 0.491 0.000 1.175 656 N CA -0.013 53.347 53.050 0.517 0.000 0.894 656 N CB 0.829 39.532 38.487 0.361 0.000 1.041 656 N HN -0.063 nan 8.380 nan 0.000 0.506 657 S N 1.429 117.337 115.700 0.347 0.000 2.573 657 S HA 0.129 4.599 4.470 -0.000 0.000 0.277 657 S C -0.087 174.602 174.600 0.148 0.000 1.346 657 S CA -0.205 58.162 58.200 0.279 0.000 1.034 657 S CB 0.721 64.067 63.200 0.243 0.000 0.879 657 S HN 0.175 nan 8.310 nan 0.000 0.528 658 L N 3.909 125.062 121.223 -0.117 0.000 2.313 658 L HA 0.718 5.058 4.340 -0.000 0.000 0.283 658 L C -1.058 175.746 176.870 -0.109 0.000 1.013 658 L CA -0.318 54.271 54.840 -0.418 0.000 0.816 658 L CB 1.218 42.533 42.059 -1.240 0.000 1.236 658 L HN 0.400 nan 8.230 nan 0.000 0.419 659 V N 6.203 126.090 119.914 -0.044 0.000 2.656 659 V HA 0.529 4.649 4.120 -0.000 0.000 0.307 659 V C -0.531 175.545 176.094 -0.029 0.000 1.051 659 V CA -0.589 61.708 62.300 -0.006 0.000 0.893 659 V CB 2.039 33.864 31.823 0.002 0.000 0.999 659 V HN 0.662 nan 8.190 nan 0.000 0.426 660 L N 5.724 126.914 121.223 -0.054 0.000 2.343 660 L HA 0.673 5.013 4.340 -0.000 0.000 0.278 660 L C -0.861 175.935 176.870 -0.124 0.000 0.996 660 L CA -0.402 54.398 54.840 -0.067 0.000 0.831 660 L CB 1.458 43.471 42.059 -0.077 0.000 1.232 660 L HN 0.343 nan 8.230 nan 0.000 0.413 661 L N 2.941 124.053 121.223 -0.186 0.000 2.342 661 L HA 0.617 4.957 4.340 -0.000 0.000 0.271 661 L C -0.716 175.946 176.870 -0.347 0.000 1.008 661 L CA -0.444 54.164 54.840 -0.387 0.000 0.818 661 L CB 2.443 44.029 42.059 -0.790 0.000 1.296 661 L HN 0.641 nan 8.230 nan 0.000 0.427 662 D N 3.224 123.422 120.400 -0.336 0.000 2.575 662 D HA 0.124 4.764 4.640 -0.000 0.000 0.250 662 D C -0.169 175.981 176.300 -0.251 0.000 1.279 662 D CA -0.180 53.685 54.000 -0.226 0.000 0.925 662 D CB 1.306 42.020 40.800 -0.144 0.000 1.261 662 D HN 0.722 nan 8.370 nan 0.000 0.567 663 E N 0.692 120.752 120.200 -0.232 0.000 2.722 663 E HA -0.157 4.193 4.350 -0.000 0.000 0.265 663 E C 0.162 176.636 176.600 -0.210 0.000 1.081 663 E CA 0.250 56.507 56.400 -0.238 0.000 0.781 663 E CB -1.227 28.332 29.700 -0.235 0.000 1.372 663 E HN 0.339 nan 8.360 nan 0.000 0.423 664 V N 0.834 120.575 119.914 -0.288 0.000 2.625 664 V HA 0.074 4.194 4.120 -0.000 0.000 0.305 664 V C 1.472 177.523 176.094 -0.071 0.000 1.055 664 V CA 1.977 64.131 62.300 -0.243 0.000 1.209 664 V CB 0.704 32.308 31.823 -0.364 0.000 0.877 664 V HN 0.662 nan 8.190 nan 0.000 0.489 665 G N 4.836 113.595 108.800 -0.067 0.000 2.401 665 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.283 665 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.283 665 G C -0.057 174.950 174.900 0.179 0.000 1.117 665 G CA 0.328 45.491 45.100 0.104 0.000 1.051 665 G HN 1.028 nan 8.290 nan 0.000 0.510 666 R N -0.639 119.945 120.500 0.140 0.000 3.151 666 R HA 0.822 5.162 4.340 -0.000 0.000 0.231 666 R C 1.183 177.658 176.300 0.292 0.000 1.511 666 R CA -0.524 55.663 56.100 0.145 0.000 1.047 666 R CB -0.005 30.306 30.300 0.018 0.000 1.565 666 R HN 1.571 nan 8.270 nan 0.000 0.513 667 G N 0.222 109.142 108.800 0.198 0.000 2.395 667 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.292 667 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.292 667 G C -0.225 174.773 174.900 0.163 0.000 0.953 667 G CA 1.235 46.455 45.100 0.199 0.000 1.207 667 G HN 0.749 nan 8.290 nan 0.000 0.503 668 T N -1.372 113.225 114.554 0.072 0.000 2.831 668 T HA 0.584 4.934 4.350 -0.000 0.000 0.333 668 T C 0.430 175.131 174.700 0.002 0.000 1.684 668 T CA 0.559 62.606 62.100 -0.088 0.000 1.049 668 T CB 0.564 69.310 68.868 -0.204 0.000 1.518 668 T HN 1.643 nan 8.240 nan 0.000 0.491 669 S N 2.621 118.296 115.700 -0.041 0.000 2.563 669 S HA 0.257 4.727 4.470 -0.000 0.000 0.284 669 S C 1.615 176.236 174.600 0.036 0.000 1.331 669 S CA 0.433 58.631 58.200 -0.003 0.000 1.047 669 S CB 0.591 63.774 63.200 -0.028 0.000 0.859 669 S HN 0.845 nan 8.310 nan 0.000 0.514 670 S N 2.068 117.793 115.700 0.042 0.000 2.327 670 S HA -0.249 4.221 4.470 -0.000 0.000 0.374 670 S C 1.829 176.440 174.600 0.019 0.000 1.025 670 S CA 2.102 60.328 58.200 0.042 0.000 2.076 670 S CB -1.173 62.039 63.200 0.020 0.000 1.611 670 S HN 0.684 nan 8.310 nan 0.000 0.473 671 L N 1.589 122.809 121.223 -0.005 0.000 1.951 671 L HA -0.258 4.082 4.340 -0.000 0.000 0.222 671 L C 2.357 179.227 176.870 -0.001 0.000 1.078 671 L CA 2.018 56.845 54.840 -0.023 0.000 0.778 671 L CB -1.027 41.022 42.059 -0.016 0.000 0.893 671 L HN 0.438 nan 8.230 nan 0.000 0.436 672 D N -0.037 120.376 120.400 0.023 0.000 2.248 672 D HA -0.245 4.395 4.640 -0.000 0.000 0.191 672 D C 1.831 178.205 176.300 0.124 0.000 1.013 672 D CA 1.874 55.908 54.000 0.056 0.000 0.883 672 D CB -0.345 40.473 40.800 0.029 0.000 0.915 672 D HN 0.558 nan 8.370 nan 0.000 0.448 673 G N 1.010 109.903 108.800 0.155 0.000 2.666 673 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.215 673 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.215 673 G C 1.829 176.901 174.900 0.286 0.000 1.294 673 G CA 1.109 46.406 45.100 0.329 0.000 0.811 673 G HN 0.250 nan 8.290 nan 0.000 0.594 674 V N 1.853 121.623 119.914 -0.241 0.000 2.660 674 V HA -0.141 3.979 4.120 -0.000 0.000 0.257 674 V C 3.109 179.120 176.094 -0.139 0.000 1.088 674 V CA 1.868 63.776 62.300 -0.653 0.000 1.106 674 V CB -0.946 30.467 31.823 -0.684 0.000 0.686 674 V HN 0.582 nan 8.190 nan 0.000 0.481 675 A N 0.712 123.519 122.820 -0.022 0.000 1.819 675 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 675 A C 2.060 179.699 177.584 0.091 0.000 1.226 675 A CA 1.655 53.709 52.037 0.027 0.000 0.608 675 A CB -0.630 18.391 19.000 0.036 0.000 0.877 675 A HN 0.296 nan 8.150 nan 0.000 0.452 676 I N 0.402 121.053 120.570 0.136 0.000 2.121 676 I HA -0.405 3.765 4.170 -0.000 0.000 0.243 676 I C 2.945 179.172 176.117 0.184 0.000 1.047 676 I CA 2.037 63.431 61.300 0.157 0.000 1.308 676 I CB -1.943 36.175 38.000 0.197 0.000 1.015 676 I HN 0.439 nan 8.210 nan 0.000 0.410 677 A N 0.702 123.684 122.820 0.269 0.000 1.896 677 A HA -0.313 4.007 4.320 -0.000 0.000 0.220 677 A C 2.438 180.176 177.584 0.258 0.000 1.206 677 A CA 3.334 55.588 52.037 0.363 0.000 0.647 677 A CB -1.378 17.959 19.000 0.561 0.000 0.828 677 A HN 0.534 nan 8.150 nan 0.000 0.455 678 T N 0.178 114.822 114.554 0.151 0.000 2.708 678 T HA -0.014 4.336 4.350 -0.000 0.000 0.266 678 T C 2.220 176.975 174.700 0.093 0.000 1.037 678 T CA 1.890 64.039 62.100 0.082 0.000 1.146 678 T CB -0.636 68.254 68.868 0.037 0.000 0.865 678 T HN 0.695 nan 8.240 nan 0.000 0.435 679 A N 1.415 124.292 122.820 0.095 0.000 1.851 679 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 679 A C 2.628 180.273 177.584 0.101 0.000 1.195 679 A CA 1.857 53.944 52.037 0.083 0.000 0.622 679 A CB -1.284 17.758 19.000 0.070 0.000 0.831 679 A HN 0.327 nan 8.150 nan 0.000 0.444 680 V N 0.166 120.154 119.914 0.123 0.000 2.250 680 V HA -0.343 3.777 4.120 -0.000 0.000 0.250 680 V C 2.986 179.188 176.094 0.180 0.000 1.060 680 V CA 2.331 64.707 62.300 0.127 0.000 1.030 680 V CB -1.709 30.194 31.823 0.133 0.000 0.643 680 V HN 0.690 nan 8.190 nan 0.000 0.445 681 A N 0.193 123.165 122.820 0.253 0.000 1.836 681 A HA -0.315 4.005 4.320 -0.000 0.000 0.215 681 A C 2.138 179.826 177.584 0.172 0.000 1.214 681 A CA 2.276 54.451 52.037 0.229 0.000 0.636 681 A CB -0.905 18.144 19.000 0.082 0.000 0.847 681 A HN 0.641 nan 8.150 nan 0.000 0.451 682 E N -0.199 120.081 120.200 0.134 0.000 2.136 682 E HA -0.260 4.090 4.350 -0.000 0.000 0.202 682 E C 2.240 178.934 176.600 0.156 0.000 1.019 682 E CA 1.233 57.736 56.400 0.173 0.000 0.819 682 E CB -0.480 29.290 29.700 0.118 0.000 0.739 682 E HN 0.631 nan 8.360 nan 0.000 0.458 683 A N 1.220 124.104 122.820 0.108 0.000 1.873 683 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 683 A C 2.249 179.870 177.584 0.061 0.000 1.193 683 A CA 1.594 53.671 52.037 0.067 0.000 0.629 683 A CB -0.761 18.271 19.000 0.053 0.000 0.826 683 A HN 0.162 nan 8.150 nan 0.000 0.447 684 L N -1.955 119.324 121.223 0.094 0.000 2.072 684 L HA -0.142 4.198 4.340 -0.000 0.000 0.205 684 L C 2.605 179.542 176.870 0.112 0.000 1.079 684 L CA 1.578 56.471 54.840 0.087 0.000 0.752 684 L CB -0.644 41.484 42.059 0.115 0.000 0.906 684 L HN 0.668 nan 8.230 nan 0.000 0.436 685 H N 0.515 119.614 119.070 0.049 0.000 2.321 685 H HA -0.225 4.331 4.556 -0.000 0.000 0.295 685 H C 2.066 177.405 175.328 0.018 0.000 1.102 685 H CA 2.056 58.125 56.048 0.035 0.000 1.266 685 H CB 0.064 29.844 29.762 0.030 0.000 1.363 685 H HN 0.194 nan 8.280 nan 0.000 0.492 686 E N 0.079 120.186 120.200 -0.154 0.000 2.153 686 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 686 E C 2.392 178.909 176.600 -0.138 0.000 0.988 686 E CA 0.782 57.050 56.400 -0.220 0.000 0.811 686 E CB -0.254 29.388 29.700 -0.096 0.000 0.746 686 E HN 0.316 nan 8.360 nan 0.000 0.466 687 R N 1.066 121.528 120.500 -0.063 0.000 2.189 687 R HA -0.003 4.337 4.340 -0.000 0.000 0.223 687 R C 0.345 176.624 176.300 -0.035 0.000 1.092 687 R CA 0.586 56.665 56.100 -0.036 0.000 0.989 687 R CB -0.241 30.053 30.300 -0.009 0.000 0.876 687 R HN 0.015 nan 8.270 nan 0.000 0.457 688 R N -2.151 118.318 120.500 -0.052 0.000 3.651 688 R HA -0.195 4.145 4.340 -0.000 0.000 0.292 688 R C -0.899 175.423 176.300 0.037 0.000 1.161 688 R CA 0.557 56.632 56.100 -0.042 0.000 0.787 688 R CB -2.216 28.014 30.300 -0.117 0.000 1.249 688 R HN 0.313 nan 8.270 nan 0.000 0.476 689 A N 0.207 123.070 122.820 0.073 0.000 2.306 689 A HA 0.531 4.851 4.320 -0.000 0.000 0.314 689 A C -0.345 177.321 177.584 0.136 0.000 1.164 689 A CA -0.482 51.644 52.037 0.147 0.000 0.822 689 A CB 0.247 19.326 19.000 0.133 0.000 1.130 689 A HN 0.252 nan 8.150 nan 0.000 0.496 690 Y N 1.628 122.011 120.300 0.137 0.000 2.828 690 Y HA 0.153 4.703 4.550 -0.000 0.000 0.359 690 Y C 0.842 176.765 175.900 0.038 0.000 1.258 690 Y CA 0.936 59.093 58.100 0.094 0.000 1.652 690 Y CB -0.323 38.207 38.460 0.116 0.000 1.232 690 Y HN 0.480 nan 8.280 nan 0.000 0.513 691 T N 5.742 120.405 114.554 0.183 0.000 2.815 691 T HA 0.438 4.788 4.350 -0.000 0.000 0.289 691 T C -0.149 174.651 174.700 0.167 0.000 1.000 691 T CA -0.718 61.470 62.100 0.146 0.000 0.958 691 T CB 0.453 69.414 68.868 0.155 0.000 0.944 691 T HN 0.405 nan 8.240 nan 0.000 0.442 692 L N 4.325 125.629 121.223 0.135 0.000 2.407 692 L HA 0.460 4.800 4.340 -0.000 0.000 0.261 692 L C -0.362 176.625 176.870 0.194 0.000 1.108 692 L CA -0.630 54.310 54.840 0.168 0.000 0.995 692 L CB 0.037 42.169 42.059 0.122 0.000 1.349 692 L HN 0.625 nan 8.230 nan 0.000 0.423 693 F N 2.757 122.735 119.950 0.046 0.000 2.424 693 F HA 0.568 5.095 4.527 -0.000 0.000 0.356 693 F C 0.422 176.231 175.800 0.015 0.000 1.110 693 F CA -0.809 57.201 58.000 0.018 0.000 1.161 693 F CB 0.826 39.836 39.000 0.017 0.000 1.115 693 F HN 0.402 nan 8.300 nan 0.000 0.507 694 A N 5.419 128.522 122.820 0.472 0.000 2.287 694 A HA 0.615 4.935 4.320 -0.000 0.000 0.317 694 A C -0.471 177.255 177.584 0.236 0.000 1.220 694 A CA -0.366 51.830 52.037 0.264 0.000 0.835 694 A CB 1.531 20.602 19.000 0.119 0.000 1.180 694 A HN 0.738 nan 8.150 nan 0.000 0.500 695 T N -0.168 114.454 114.554 0.113 0.000 2.812 695 T HA 0.520 4.870 4.350 -0.000 0.000 0.294 695 T C -0.176 174.443 174.700 -0.135 0.000 1.159 695 T CA -0.385 61.686 62.100 -0.048 0.000 1.008 695 T CB 0.962 69.873 68.868 0.072 0.000 1.289 695 T HN 0.613 nan 8.240 nan 0.000 0.514 696 H N 0.063 119.034 119.070 -0.166 0.000 2.827 696 H HA 0.288 4.844 4.556 -0.000 0.000 0.269 696 H C -0.307 174.897 175.328 -0.206 0.000 1.031 696 H CA -0.069 55.842 56.048 -0.229 0.000 1.202 696 H CB 0.017 29.680 29.762 -0.164 0.000 1.511 696 H HN 0.503 nan 8.280 nan 0.000 0.517 697 Y N 1.089 121.355 120.300 -0.056 0.000 2.680 697 Y HA -0.069 4.481 4.550 -0.000 0.000 0.356 697 Y C 0.870 176.734 175.900 -0.060 0.000 1.122 697 Y CA -0.632 57.446 58.100 -0.038 0.000 1.509 697 Y CB -0.066 38.396 38.460 0.004 0.000 1.245 697 Y HN 0.019 nan 8.280 nan 0.000 0.513 698 F N 1.499 121.564 119.950 0.191 0.000 2.046 698 F HA -0.333 4.194 4.527 -0.000 0.000 0.297 698 F C 2.372 178.185 175.800 0.023 0.000 1.123 698 F CA 1.320 59.366 58.000 0.077 0.000 1.199 698 F CB -0.072 38.957 39.000 0.049 0.000 0.972 698 F HN 0.553 nan 8.300 nan 0.000 0.474 699 E N 1.096 121.420 120.200 0.207 0.000 2.149 699 E HA -0.315 4.035 4.350 -0.000 0.000 0.215 699 E C 2.157 178.775 176.600 0.030 0.000 1.055 699 E CA 2.054 58.490 56.400 0.059 0.000 0.870 699 E CB -1.488 28.189 29.700 -0.037 0.000 0.764 699 E HN 0.474 nan 8.360 nan 0.000 0.463 700 L N 0.948 122.188 121.223 0.028 0.000 2.013 700 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 700 L C 3.026 179.861 176.870 -0.059 0.000 1.073 700 L CA 2.032 56.846 54.840 -0.042 0.000 0.753 700 L CB -0.853 41.141 42.059 -0.108 0.000 0.890 700 L HN 0.306 nan 8.230 nan 0.000 0.432 701 T N -0.738 113.812 114.554 -0.006 0.000 2.849 701 T HA -0.127 4.223 4.350 -0.000 0.000 0.270 701 T C 0.927 175.625 174.700 -0.004 0.000 1.066 701 T CA 1.084 63.184 62.100 0.000 0.000 1.130 701 T CB -0.126 68.792 68.868 0.083 0.000 0.864 701 T HN 0.341 nan 8.240 nan 0.000 0.481 702 A N 0.961 123.786 122.820 0.007 0.000 3.079 702 A HA 0.628 4.948 4.320 -0.000 0.000 0.315 702 A C 0.305 177.872 177.584 -0.029 0.000 1.334 702 A CA -0.486 51.544 52.037 -0.012 0.000 1.048 702 A CB -0.248 18.748 19.000 -0.006 0.000 1.156 702 A HN 0.558 nan 8.150 nan 0.000 0.523 703 L N 1.331 122.525 121.223 -0.048 0.000 3.255 703 L HA 0.247 4.586 4.340 -0.000 0.000 0.293 703 L C 1.296 178.127 176.870 -0.065 0.000 1.302 703 L CA -0.524 54.282 54.840 -0.056 0.000 0.977 703 L CB 0.781 42.796 42.059 -0.073 0.000 1.390 703 L HN 0.731 nan 8.230 nan 0.000 0.588 704 G N 1.871 110.640 108.800 -0.051 0.000 2.256 704 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.269 704 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.269 704 G C -0.184 174.687 174.900 -0.048 0.000 0.443 704 G CA 0.574 45.648 45.100 -0.044 0.000 1.051 704 G HN 0.295 nan 8.290 nan 0.000 0.442 705 L N 3.067 124.233 121.223 -0.096 0.000 2.342 705 L HA 0.407 4.747 4.340 -0.000 0.000 0.271 705 L C -0.554 176.294 176.870 -0.035 0.000 1.008 705 L CA -2.391 52.388 54.840 -0.102 0.000 0.818 705 L CB 2.253 44.026 42.059 -0.476 0.000 1.296 705 L HN 0.154 nan 8.230 nan 0.000 0.427 706 P HA -0.165 nan 4.420 nan 0.000 0.216 706 P C 0.746 178.115 177.300 0.115 0.000 1.153 706 P CA 1.389 64.551 63.100 0.103 0.000 0.858 706 P CB 0.220 31.991 31.700 0.118 0.000 0.789 707 R N -1.182 119.470 120.500 0.254 0.000 2.426 707 R HA 0.242 4.581 4.340 -0.000 0.000 0.263 707 R C 0.824 177.155 176.300 0.052 0.000 0.961 707 R CA -0.639 55.581 56.100 0.200 0.000 1.086 707 R CB -0.258 30.235 30.300 0.321 0.000 1.186 707 R HN 0.170 nan 8.270 nan 0.000 0.537 708 L N 1.056 122.226 121.223 -0.087 0.000 2.505 708 L HA 0.250 4.590 4.340 -0.000 0.000 0.226 708 L C -0.184 176.674 176.870 -0.020 0.000 1.211 708 L CA 0.502 55.282 54.840 -0.100 0.000 0.828 708 L CB 0.472 42.440 42.059 -0.152 0.000 1.331 708 L HN -0.018 nan 8.230 nan 0.000 0.513 709 K N 0.795 121.187 120.400 -0.012 0.000 2.636 709 K HA 0.307 4.627 4.320 -0.000 0.000 0.268 709 K C -2.081 174.529 176.600 0.016 0.000 0.958 709 K CA -0.576 55.721 56.287 0.017 0.000 0.875 709 K CB 0.800 33.328 32.500 0.047 0.000 1.382 709 K HN 0.761 nan 8.250 nan 0.000 0.405 710 N N 4.324 123.038 118.700 0.023 0.000 2.296 710 N HA 0.505 5.245 4.740 -0.000 0.000 0.294 710 N C -1.269 174.277 175.510 0.059 0.000 1.033 710 N CA -0.673 52.394 53.050 0.028 0.000 0.839 710 N CB 1.733 40.226 38.487 0.009 0.000 1.395 710 N HN 0.348 nan 8.380 nan 0.000 0.479 711 L N 2.301 123.571 121.223 0.078 0.000 2.401 711 L HA 0.536 4.876 4.340 -0.000 0.000 0.266 711 L C -0.635 176.322 176.870 0.145 0.000 0.991 711 L CA -0.994 53.907 54.840 0.102 0.000 0.818 711 L CB 2.129 44.199 42.059 0.018 0.000 1.321 711 L HN 0.587 nan 8.230 nan 0.000 0.413 712 H N 0.890 119.927 119.070 -0.055 0.000 2.928 712 H HA 0.762 5.318 4.556 -0.000 0.000 0.371 712 H C -1.270 174.009 175.328 -0.082 0.000 1.186 712 H CA -1.069 54.953 56.048 -0.042 0.000 1.134 712 H CB 1.844 31.613 29.762 0.011 0.000 1.824 712 H HN 0.402 nan 8.280 nan 0.000 0.554 713 V N -0.870 118.921 119.914 -0.204 0.000 2.769 713 V HA 0.962 5.082 4.120 -0.000 0.000 0.312 713 V C -0.079 175.866 176.094 -0.249 0.000 1.061 713 V CA -0.542 61.594 62.300 -0.274 0.000 0.931 713 V CB 1.034 32.780 31.823 -0.127 0.000 1.010 713 V HN 1.228 nan 8.190 nan 0.000 0.433 714 A N 2.808 125.465 122.820 -0.273 0.000 2.337 714 A HA 1.034 5.354 4.320 -0.000 0.000 0.331 714 A C 0.103 177.509 177.584 -0.297 0.000 1.137 714 A CA -0.283 51.554 52.037 -0.334 0.000 0.807 714 A CB 1.514 20.311 19.000 -0.339 0.000 1.250 714 A HN 2.236 nan 8.150 nan 0.000 0.468 715 A N 1.064 123.514 122.820 -0.618 0.000 2.330 715 A HA 0.884 5.204 4.320 -0.000 0.000 0.329 715 A C -0.294 177.070 177.584 -0.367 0.000 1.135 715 A CA -0.738 50.934 52.037 -0.608 0.000 0.817 715 A CB 1.150 19.564 19.000 -0.977 0.000 1.269 715 A HN 0.650 nan 8.150 nan 0.000 0.469 716 R N 1.152 121.555 120.500 -0.162 0.000 2.518 716 R HA 0.201 4.541 4.340 -0.000 0.000 0.296 716 R C -1.154 175.154 176.300 0.014 0.000 1.080 716 R CA -0.228 55.875 56.100 0.006 0.000 0.922 716 R CB 1.329 31.751 30.300 0.203 0.000 1.184 716 R HN 0.922 nan 8.270 nan 0.000 0.445 717 E N 2.255 122.474 120.200 0.033 0.000 2.443 717 E HA -0.023 4.327 4.350 -0.000 0.000 0.310 717 E C -0.073 176.548 176.600 0.035 0.000 1.202 717 E CA 0.390 56.808 56.400 0.030 0.000 1.301 717 E CB 0.281 30.005 29.700 0.040 0.000 1.104 717 E HN 0.383 nan 8.360 nan 0.000 0.487 718 E N 0.233 120.458 120.200 0.041 0.000 3.099 718 E HA 0.332 4.682 4.350 -0.000 0.000 0.259 718 E C 1.509 178.128 176.600 0.032 0.000 1.274 718 E CA -0.117 56.308 56.400 0.042 0.000 1.111 718 E CB 0.359 30.094 29.700 0.058 0.000 1.327 718 E HN 0.249 nan 8.360 nan 0.000 0.652 719 A N 0.471 123.308 122.820 0.028 0.000 1.888 719 A HA -0.353 3.967 4.320 -0.000 0.000 0.249 719 A C 1.941 179.539 177.584 0.024 0.000 2.120 719 A CA 2.957 55.007 52.037 0.022 0.000 0.772 719 A CB -1.973 17.039 19.000 0.019 0.000 0.844 719 A HN 0.729 nan 8.150 nan 0.000 0.525 720 G N -3.320 105.497 108.800 0.028 0.000 2.605 720 G HA2 0.297 4.257 3.960 -0.000 0.000 0.215 720 G HA3 0.297 4.257 3.960 -0.000 0.000 0.215 720 G C 1.255 176.177 174.900 0.037 0.000 1.279 720 G CA 1.391 46.511 45.100 0.033 0.000 0.831 720 G HN 1.526 nan 8.290 nan 0.000 0.560 721 G N -1.719 107.108 108.800 0.044 0.000 3.069 721 G HA2 0.423 4.383 3.960 -0.000 0.000 0.170 721 G HA3 0.423 4.383 3.960 -0.000 0.000 0.170 721 G C -0.109 174.807 174.900 0.026 0.000 1.494 721 G CA -0.016 45.108 45.100 0.040 0.000 0.737 721 G HN 0.378 nan 8.290 nan 0.000 0.992 722 L N -0.242 120.996 121.223 0.025 0.000 2.892 722 L HA 0.616 4.956 4.340 -0.000 0.000 0.269 722 L C -1.458 175.415 176.870 0.004 0.000 1.058 722 L CA -0.925 53.882 54.840 -0.055 0.000 0.923 722 L CB 2.644 44.549 42.059 -0.257 0.000 1.518 722 L HN -0.160 nan 8.230 nan 0.000 0.402 723 V N 1.451 121.340 119.914 -0.042 0.000 2.811 723 V HA 0.224 4.344 4.120 -0.000 0.000 0.266 723 V C -0.707 175.404 176.094 0.028 0.000 0.872 723 V CA -0.535 61.788 62.300 0.037 0.000 0.992 723 V CB 0.687 32.532 31.823 0.037 0.000 1.016 723 V HN 0.409 nan 8.190 nan 0.000 0.496 724 F N 1.913 121.795 119.950 -0.112 0.000 2.635 724 F HA 0.157 4.684 4.527 -0.000 0.000 0.379 724 F C 0.272 175.926 175.800 -0.244 0.000 1.094 724 F CA 0.590 58.519 58.000 -0.119 0.000 1.300 724 F CB -0.100 38.809 39.000 -0.152 0.000 1.035 724 F HN 0.301 nan 8.300 nan 0.000 0.581 725 Y N 2.357 122.617 120.300 -0.067 0.000 2.334 725 Y HA 0.252 4.802 4.550 -0.000 0.000 0.336 725 Y C 0.537 176.387 175.900 -0.083 0.000 0.960 725 Y CA -0.827 57.201 58.100 -0.120 0.000 1.164 725 Y CB 0.549 38.936 38.460 -0.122 0.000 1.155 725 Y HN 0.398 nan 8.280 nan 0.000 0.478 726 H N 3.048 122.126 119.070 0.013 0.000 3.663 726 H HA 0.114 4.670 4.556 -0.000 0.000 0.250 726 H C -0.386 174.895 175.328 -0.077 0.000 1.363 726 H CA 0.150 56.169 56.048 -0.049 0.000 1.259 726 H CB -0.521 29.176 29.762 -0.109 0.000 1.435 726 H HN 0.566 nan 8.280 nan 0.000 0.692 727 Q N -0.221 119.607 119.800 0.048 0.000 2.356 727 Q HA 0.395 4.735 4.340 -0.000 0.000 0.270 727 Q C -0.719 175.174 176.000 -0.178 0.000 1.058 727 Q CA -0.655 55.116 55.803 -0.052 0.000 0.802 727 Q CB 2.905 31.632 28.738 -0.018 0.000 1.303 727 Q HN 0.042 nan 8.270 nan 0.000 0.444 728 V N 4.548 124.305 119.914 -0.262 0.000 2.266 728 V HA 0.390 4.510 4.120 -0.000 0.000 0.271 728 V C -0.576 175.358 176.094 -0.267 0.000 1.032 728 V CA -0.410 61.649 62.300 -0.401 0.000 0.806 728 V CB 0.472 31.790 31.823 -0.842 0.000 1.052 728 V HN 0.643 nan 8.190 nan 0.000 0.449 729 L N 7.563 128.634 121.223 -0.253 0.000 2.379 729 L HA 0.560 4.900 4.340 -0.000 0.000 0.269 729 L C -1.912 174.966 176.870 0.013 0.000 1.084 729 L CA -1.756 53.007 54.840 -0.129 0.000 0.802 729 L CB 1.723 43.693 42.059 -0.148 0.000 1.175 729 L HN 0.357 nan 8.230 nan 0.000 0.448 730 P HA 0.184 nan 4.420 nan 0.000 0.272 730 P C -0.215 177.170 177.300 0.142 0.000 1.230 730 P CA 0.174 63.330 63.100 0.093 0.000 0.788 730 P CB 0.855 32.587 31.700 0.053 0.000 0.949 731 G N 1.738 110.585 108.800 0.078 0.000 2.862 731 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.686 731 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.686 731 G C -2.854 171.968 174.900 -0.130 0.000 1.134 731 G CA -0.753 44.339 45.100 -0.014 0.000 0.791 731 G HN 0.586 nan 8.290 nan 0.000 0.592 732 P HA 0.386 nan 4.420 nan 0.000 0.270 732 P C 0.478 177.509 177.300 -0.450 0.000 1.227 732 P CA 0.682 63.697 63.100 -0.142 0.000 0.788 732 P CB 0.534 32.233 31.700 -0.003 0.000 0.926 733 A N 1.822 124.572 122.820 -0.116 0.000 2.450 733 A HA 0.246 4.566 4.320 -0.000 0.000 0.255 733 A C 1.693 179.364 177.584 0.145 0.000 1.096 733 A CA 0.195 52.257 52.037 0.042 0.000 0.778 733 A CB -0.419 18.822 19.000 0.401 0.000 1.031 733 A HN 0.600 nan 8.150 nan 0.000 0.494 734 S N 3.168 118.899 115.700 0.052 0.000 2.329 734 S HA -0.043 4.427 4.470 -0.000 0.000 0.215 734 S C 0.940 175.521 174.600 -0.032 0.000 1.031 734 S CA 1.056 59.250 58.200 -0.009 0.000 0.985 734 S CB -0.367 62.825 63.200 -0.014 0.000 0.917 734 S HN 0.725 nan 8.310 nan 0.000 0.441 735 K N 1.364 121.792 120.400 0.046 0.000 2.399 735 K HA 0.501 4.821 4.320 -0.000 0.000 0.247 735 K C -0.214 176.420 176.600 0.057 0.000 1.036 735 K CA -0.264 55.961 56.287 -0.103 0.000 0.977 735 K CB 0.750 33.072 32.500 -0.297 0.000 1.272 735 K HN 0.489 nan 8.250 nan 0.000 0.501 736 S N -0.387 115.265 115.700 -0.080 0.000 2.501 736 S HA 0.332 4.802 4.470 -0.000 0.000 0.301 736 S C -0.376 174.100 174.600 -0.208 0.000 1.096 736 S CA -0.698 57.617 58.200 0.192 0.000 1.063 736 S CB 0.580 63.940 63.200 0.266 0.000 1.042 736 S HN 0.581 nan 8.310 nan 0.000 0.494 737 Y N 1.386 121.724 120.300 0.065 0.000 2.481 737 Y HA 0.330 4.880 4.550 -0.000 0.000 0.247 737 Y C 2.170 178.053 175.900 -0.030 0.000 1.151 737 Y CA -0.158 57.934 58.100 -0.013 0.000 1.238 737 Y CB -0.222 38.200 38.460 -0.063 0.000 1.179 737 Y HN 0.914 nan 8.280 nan 0.000 0.524 738 G N 1.030 109.867 108.800 0.061 0.000 2.900 738 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.212 738 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.212 738 G C 1.697 176.617 174.900 0.034 0.000 1.359 738 G CA 2.521 47.641 45.100 0.032 0.000 0.800 738 G HN 0.193 nan 8.290 nan 0.000 0.680 739 V N 0.409 120.334 119.914 0.018 0.000 2.357 739 V HA -0.272 3.848 4.120 -0.000 0.000 0.257 739 V C 2.573 178.675 176.094 0.014 0.000 1.082 739 V CA 2.721 65.028 62.300 0.012 0.000 1.078 739 V CB -0.940 30.880 31.823 -0.005 0.000 0.663 739 V HN 0.342 nan 8.190 nan 0.000 0.455 740 E N 0.685 120.889 120.200 0.008 0.000 1.997 740 E HA -0.135 4.215 4.350 -0.000 0.000 0.201 740 E C 2.247 178.876 176.600 0.049 0.000 1.011 740 E CA 1.593 58.007 56.400 0.023 0.000 0.847 740 E CB -1.057 28.672 29.700 0.047 0.000 0.787 740 E HN 0.342 nan 8.360 nan 0.000 0.472 741 V N 1.450 121.405 119.914 0.069 0.000 2.236 741 V HA -0.405 3.715 4.120 -0.000 0.000 0.255 741 V C 2.233 178.382 176.094 0.093 0.000 1.068 741 V CA 2.460 64.819 62.300 0.099 0.000 1.044 741 V CB -1.241 30.657 31.823 0.126 0.000 0.653 741 V HN 0.443 nan 8.190 nan 0.000 0.448 742 A N 0.079 122.940 122.820 0.069 0.000 1.870 742 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 742 A C 1.740 179.355 177.584 0.050 0.000 1.224 742 A CA 2.031 54.102 52.037 0.056 0.000 0.650 742 A CB -1.145 17.880 19.000 0.041 0.000 0.836 742 A HN 0.908 nan 8.150 nan 0.000 0.454 746 G N -0.483 108.344 108.800 0.045 0.000 2.507 746 G HA2 0.096 4.056 3.960 -0.000 0.000 0.205 746 G HA3 0.096 4.056 3.960 -0.000 0.000 0.205 746 G C 0.025 174.942 174.900 0.029 0.000 0.996 746 G CA -0.098 45.023 45.100 0.034 0.000 0.776 746 G HN 0.613 nan 8.290 nan 0.000 0.532 747 L N 1.752 122.993 121.223 0.030 0.000 2.543 747 L HA 0.236 4.576 4.340 -0.000 0.000 0.285 747 L C -1.493 175.389 176.870 0.020 0.000 1.236 747 L CA -0.958 53.897 54.840 0.025 0.000 0.871 747 L CB 0.389 42.464 42.059 0.026 0.000 1.121 747 L HN -0.032 nan 8.230 nan 0.000 0.501 748 P HA 0.040 nan 4.420 nan 0.000 0.267 748 P C 0.032 177.339 177.300 0.012 0.000 1.205 748 P CA -0.113 62.995 63.100 0.014 0.000 0.765 748 P CB 0.594 32.301 31.700 0.012 0.000 0.828 749 K N 2.043 122.449 120.400 0.011 0.000 2.113 749 K HA -0.243 4.077 4.320 -0.000 0.000 0.208 749 K C 1.428 178.032 176.600 0.006 0.000 1.047 749 K CA 1.822 58.114 56.287 0.009 0.000 0.928 749 K CB -0.046 32.459 32.500 0.008 0.000 0.716 749 K HN 0.506 nan 8.250 nan 0.000 0.446 750 E N 0.350 120.554 120.200 0.006 0.000 2.047 750 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 750 E C 2.021 178.624 176.600 0.005 0.000 0.987 750 E CA 1.117 57.520 56.400 0.004 0.000 0.799 750 E CB -0.503 29.200 29.700 0.004 0.000 0.752 750 E HN 0.025 nan 8.360 nan 0.000 0.449 751 V N 0.988 120.907 119.914 0.007 0.000 2.287 751 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 751 V C 2.309 178.408 176.094 0.008 0.000 1.053 751 V CA 1.706 64.011 62.300 0.009 0.000 1.027 751 V CB -0.825 31.005 31.823 0.012 0.000 0.646 751 V HN 0.135 nan 8.190 nan 0.000 0.447 752 V N 0.552 120.471 119.914 0.009 0.000 2.287 752 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 752 V C 2.744 178.839 176.094 0.002 0.000 1.053 752 V CA 2.051 64.356 62.300 0.008 0.000 1.027 752 V CB -1.444 30.384 31.823 0.008 0.000 0.646 752 V HN 0.550 nan 8.190 nan 0.000 0.447 753 A N 0.940 123.760 122.820 0.001 0.000 1.834 753 A HA -0.295 4.025 4.320 -0.000 0.000 0.216 753 A C 2.302 179.884 177.584 -0.003 0.000 1.203 753 A CA 2.383 54.419 52.037 -0.003 0.000 0.621 753 A CB -0.728 18.271 19.000 -0.002 0.000 0.841 753 A HN 0.443 nan 8.150 nan 0.000 0.446 754 R N 0.340 120.840 120.500 -0.000 0.000 2.276 754 R HA -0.111 4.229 4.340 -0.000 0.000 0.243 754 R C 1.748 178.049 176.300 0.001 0.000 1.161 754 R CA 1.869 57.969 56.100 0.000 0.000 1.007 754 R CB -0.895 29.406 30.300 0.002 0.000 0.867 754 R HN 0.483 nan 8.270 nan 0.000 0.472 755 A N -0.041 122.780 122.820 0.002 0.000 1.862 755 A HA 0.059 4.379 4.320 -0.000 0.000 0.211 755 A C 2.084 179.667 177.584 -0.003 0.000 1.220 755 A CA 0.803 52.842 52.037 0.003 0.000 0.616 755 A CB -0.279 18.725 19.000 0.007 0.000 0.878 755 A HN 0.299 nan 8.150 nan 0.000 0.453 756 R N -0.084 120.411 120.500 -0.008 0.000 2.105 756 R HA -0.149 4.191 4.340 -0.000 0.000 0.239 756 R C 2.403 178.692 176.300 -0.018 0.000 1.135 756 R CA 1.207 57.296 56.100 -0.018 0.000 0.967 756 R CB -0.529 29.758 30.300 -0.023 0.000 0.861 756 R HN 0.532 nan 8.270 nan 0.000 0.442 757 A N 1.600 124.412 122.820 -0.014 0.000 1.824 757 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 757 A C 2.192 179.768 177.584 -0.012 0.000 1.209 757 A CA 1.195 53.224 52.037 -0.014 0.000 0.614 757 A CB -0.934 18.060 19.000 -0.010 0.000 0.852 757 A HN 0.205 nan 8.150 nan 0.000 0.447 758 L N -0.495 120.724 121.223 -0.007 0.000 2.151 758 L HA -0.265 4.075 4.340 -0.000 0.000 0.215 758 L C 2.596 179.463 176.870 -0.006 0.000 1.084 758 L CA 1.373 56.211 54.840 -0.004 0.000 0.764 758 L CB -0.540 41.520 42.059 0.001 0.000 0.891 758 L HN 0.544 nan 8.230 nan 0.000 0.435 759 L N -0.720 120.499 121.223 -0.008 0.000 1.961 759 L HA -0.292 4.048 4.340 -0.000 0.000 0.209 759 L C 2.650 179.507 176.870 -0.021 0.000 1.075 759 L CA 1.506 56.340 54.840 -0.010 0.000 0.749 759 L CB -0.211 41.839 42.059 -0.014 0.000 0.890 759 L HN 0.259 nan 8.230 nan 0.000 0.433 760 Q N 0.469 120.252 119.800 -0.028 0.000 2.047 760 Q HA -0.200 4.140 4.340 -0.000 0.000 0.211 760 Q C 1.168 177.150 176.000 -0.029 0.000 1.005 760 Q CA 1.829 57.612 55.803 -0.034 0.000 0.866 760 Q CB -0.620 28.098 28.738 -0.033 0.000 0.938 760 Q HN 0.682 nan 8.270 nan 0.000 0.414 764 A N 1.316 124.110 122.820 -0.043 0.000 3.019 764 A HA 0.576 4.896 4.320 -0.000 0.000 0.262 764 A C 0.723 178.287 177.584 -0.033 0.000 1.509 764 A CA 0.654 52.666 52.037 -0.041 0.000 1.159 764 A CB -0.979 17.998 19.000 -0.038 0.000 1.042 764 A HN 0.650 nan 8.150 nan 0.000 0.641 765 R N 0.000 120.481 120.500 -0.032 0.000 2.786 765 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 765 R CA 0.000 56.084 56.100 -0.026 0.000 0.921 765 R CB 0.000 30.285 30.300 -0.026 0.000 0.687 765 R HN 0.000 nan 8.270 nan 0.000 0.535