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 2iqh_1_A DATA FIRST_RESID 21 DATA SEQUENCE NATEIRASVG KMIDGIGRFY IQMCTELKLS DYEGRLIQNS LTIERMVLSA DATA SEQUENCE FDXXXXXXXX XXXXXXXXXX XTGGPIYRRV DGKWRRELIL YDKEEIRRIW DATA SEQUENCE RQANNGDDAT AGLTHMMIWH SNLNDATYQR TRALVRTGMD PRMCSLMQGS DATA SEQUENCE TLPRRSGAAG AAVKGVGTMV MELIRMIKRG INXXXXXXXX XXRRTRIAYE DATA SEQUENCE RMCNILKGKF QTAAQRTMVD QVRESRNPGN AEFEDLIFLA RSALILRGSV DATA SEQUENCE AHKSCLPACV YGSAVASGYD FEREGYSLVG IDPFRLLQNS QVYSLIRPNE DATA SEQUENCE NPAHKSQLVW MACHSAAFED LRVSSFIRGT KVVPRGKLST RGVQIASNEN DATA SEQUENCE METMESSTLE LRSRYWAIRT RSGGNTXXXX XSSGQISIQP TFSVQRNLPF DATA SEQUENCE DRPTIMAAXX XXXXXXXSDM RTEIIRLMES ARPEDVSFQG RGVFELSDEK DATA SEQUENCE ATSPIVPSFD MSNEGSYFF 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 21 N HA 0.000 nan 4.740 nan 0.000 0.220 21 N C 0.000 175.507 175.510 -0.004 0.000 1.280 21 N CA 0.000 53.049 53.050 -0.002 0.000 0.885 21 N CB 0.000 38.486 38.487 -0.001 0.000 1.341 22 A N 1.576 124.394 122.820 -0.004 0.000 2.327 22 A HA 0.083 4.402 4.320 -0.000 0.000 0.228 22 A C 1.651 179.234 177.584 -0.002 0.000 1.275 22 A CA 0.957 52.991 52.037 -0.005 0.000 0.875 22 A CB -0.459 18.538 19.000 -0.005 0.000 0.925 22 A HN 0.727 nan 8.150 nan 0.000 0.493 23 T N -2.613 111.940 114.554 -0.002 0.000 2.914 23 T HA 0.009 4.359 4.350 -0.000 0.000 0.240 23 T C 1.532 176.231 174.700 -0.001 0.000 1.025 23 T CA 1.001 63.100 62.100 -0.000 0.000 1.198 23 T CB -0.350 68.518 68.868 -0.001 0.000 0.892 23 T HN 0.432 nan 8.240 nan 0.000 0.417 24 E N 1.488 121.686 120.200 -0.003 0.000 2.001 24 E HA 0.040 4.390 4.350 -0.000 0.000 0.193 24 E C 2.293 178.889 176.600 -0.007 0.000 0.994 24 E CA 1.356 57.753 56.400 -0.005 0.000 0.815 24 E CB -0.499 29.198 29.700 -0.005 0.000 0.770 24 E HN 0.475 nan 8.360 nan 0.000 0.453 25 I N 0.838 121.402 120.570 -0.009 0.000 2.145 25 I HA -0.348 3.821 4.170 -0.000 0.000 0.244 25 I C 2.750 178.857 176.117 -0.017 0.000 1.075 25 I CA 1.451 62.742 61.300 -0.015 0.000 1.332 25 I CB -0.370 37.621 38.000 -0.015 0.000 1.033 25 I HN 0.049 nan 8.210 nan 0.000 0.410 26 R N 0.313 120.806 120.500 -0.011 0.000 2.153 26 R HA 0.021 4.361 4.340 -0.000 0.000 0.218 26 R C 2.136 178.448 176.300 0.020 0.000 1.072 26 R CA 1.109 57.206 56.100 -0.004 0.000 0.990 26 R CB 0.028 30.326 30.300 -0.003 0.000 0.889 26 R HN 0.415 nan 8.270 nan 0.000 0.452 27 A N -0.349 122.480 122.820 0.014 0.000 2.085 27 A HA -0.009 4.310 4.320 -0.000 0.000 0.208 27 A C 1.857 179.445 177.584 0.007 0.000 1.191 27 A CA 0.671 52.722 52.037 0.022 0.000 0.799 27 A CB 0.032 19.041 19.000 0.015 0.000 0.877 27 A HN 0.376 nan 8.150 nan 0.000 0.473 28 S N -0.567 115.129 115.700 -0.006 0.000 2.453 28 S HA -0.051 4.418 4.470 -0.000 0.000 0.231 28 S C 1.601 176.178 174.600 -0.037 0.000 1.005 28 S CA 1.265 59.453 58.200 -0.019 0.000 0.949 28 S CB -0.293 62.897 63.200 -0.018 0.000 0.774 28 S HN 0.406 nan 8.310 nan 0.000 0.510 29 V N 1.669 121.562 119.914 -0.035 0.000 3.174 29 V HA 0.282 4.402 4.120 -0.000 0.000 0.254 29 V C 2.264 178.311 176.094 -0.079 0.000 1.120 29 V CA 1.205 63.465 62.300 -0.067 0.000 1.114 29 V CB -0.618 31.167 31.823 -0.063 0.000 0.756 29 V HN 0.582 nan 8.190 nan 0.000 0.467 30 G N -0.501 108.293 108.800 -0.010 0.000 2.432 30 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.219 30 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.219 30 G C 1.578 176.445 174.900 -0.055 0.000 1.135 30 G CA 0.996 46.104 45.100 0.013 0.000 0.767 30 G HN 0.502 nan 8.290 nan 0.000 0.550 31 K N 0.157 120.525 120.400 -0.054 0.000 2.217 31 K HA -0.003 4.317 4.320 -0.000 0.000 0.202 31 K C 2.471 178.995 176.600 -0.127 0.000 1.051 31 K CA 1.220 57.466 56.287 -0.069 0.000 0.952 31 K CB -0.119 32.350 32.500 -0.052 0.000 0.736 31 K HN 0.460 nan 8.250 nan 0.000 0.453 32 M N -1.029 118.478 119.600 -0.154 0.000 2.419 32 M HA 0.053 4.533 4.480 -0.000 0.000 0.264 32 M C 1.485 177.610 176.300 -0.291 0.000 1.082 32 M CA 1.215 56.401 55.300 -0.189 0.000 1.119 32 M CB -0.053 32.449 32.600 -0.165 0.000 1.398 32 M HN -0.057 nan 8.290 nan 0.000 0.453 33 I N 1.581 121.909 120.570 -0.403 0.000 2.333 33 I HA -0.147 4.023 4.170 -0.000 0.000 0.246 33 I C 1.444 177.285 176.117 -0.459 0.000 1.106 33 I CA 1.425 62.321 61.300 -0.673 0.000 1.411 33 I CB -0.545 36.810 38.000 -1.075 0.000 1.082 33 I HN 0.281 nan 8.210 nan 0.000 0.420 34 D N 0.276 120.528 120.400 -0.247 0.000 2.158 34 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 34 D C 2.244 178.482 176.300 -0.103 0.000 0.995 34 D CA 1.498 55.453 54.000 -0.074 0.000 0.846 34 D CB -0.714 40.077 40.800 -0.015 0.000 0.941 34 D HN 0.437 nan 8.370 nan 0.000 0.456 35 G N 0.634 109.324 108.800 -0.184 0.000 2.421 35 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 35 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 35 G C 1.800 176.592 174.900 -0.179 0.000 1.171 35 G CA 0.360 45.296 45.100 -0.273 0.000 0.775 35 G HN 0.275 nan 8.290 nan 0.000 0.543 36 I N 1.320 121.845 120.570 -0.075 0.000 2.226 36 I HA -0.072 4.098 4.170 -0.000 0.000 0.245 36 I C 3.039 179.318 176.117 0.270 0.000 1.100 36 I CA 0.902 62.318 61.300 0.193 0.000 1.374 36 I CB -0.534 37.598 38.000 0.221 0.000 1.057 36 I HN 0.244 nan 8.210 nan 0.000 0.413 37 G N 0.789 109.669 108.800 0.134 0.000 2.666 37 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.215 37 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.215 37 G C 1.669 176.680 174.900 0.185 0.000 1.294 37 G CA 0.668 45.874 45.100 0.176 0.000 0.811 37 G HN 0.216 nan 8.290 nan 0.000 0.594 38 R N -0.553 120.013 120.500 0.110 0.000 2.191 38 R HA -0.249 4.091 4.340 -0.000 0.000 0.248 38 R C 2.349 178.721 176.300 0.121 0.000 1.127 38 R CA 2.055 58.204 56.100 0.081 0.000 0.943 38 R CB -1.019 29.295 30.300 0.023 0.000 0.891 38 R HN 0.438 nan 8.270 nan 0.000 0.439 39 F N 0.645 120.601 119.950 0.011 0.000 2.046 39 F HA -0.312 4.215 4.527 -0.000 0.000 0.297 39 F C 2.329 178.219 175.800 0.151 0.000 1.123 39 F CA 1.685 59.729 58.000 0.075 0.000 1.199 39 F CB -0.945 38.123 39.000 0.113 0.000 0.972 39 F HN 0.011 nan 8.300 nan 0.000 0.474 40 Y N 0.976 121.229 120.300 -0.080 0.000 2.139 40 Y HA -0.299 4.251 4.550 -0.000 0.000 0.282 40 Y C 2.248 178.050 175.900 -0.162 0.000 1.179 40 Y CA 2.161 60.158 58.100 -0.171 0.000 1.161 40 Y CB -0.704 37.776 38.460 0.034 0.000 0.970 40 Y HN 0.222 nan 8.280 nan 0.000 0.511 41 I N -0.652 119.886 120.570 -0.053 0.000 2.179 41 I HA -0.322 3.848 4.170 -0.000 0.000 0.242 41 I C 2.457 178.474 176.117 -0.168 0.000 1.088 41 I CA 1.636 62.879 61.300 -0.096 0.000 1.357 41 I CB -0.475 37.528 38.000 0.006 0.000 1.051 41 I HN 0.202 nan 8.210 nan 0.000 0.409 42 Q N 0.832 120.543 119.800 -0.149 0.000 2.030 42 Q HA -0.260 4.079 4.340 -0.000 0.000 0.204 42 Q C 2.139 178.016 176.000 -0.204 0.000 0.986 42 Q CA 2.091 57.819 55.803 -0.126 0.000 0.843 42 Q CB -0.376 28.328 28.738 -0.057 0.000 0.904 42 Q HN 0.319 nan 8.270 nan 0.000 0.420 43 M N -0.906 118.459 119.600 -0.391 0.000 2.159 43 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 43 M C 1.998 178.067 176.300 -0.384 0.000 1.063 43 M CA 1.409 56.448 55.300 -0.436 0.000 1.110 43 M CB -0.530 31.642 32.600 -0.714 0.000 1.374 43 M HN 0.378 nan 8.290 nan 0.000 0.411 44 C N -0.651 118.379 119.300 -0.450 0.000 2.440 44 C HA -0.100 4.360 4.460 -0.000 0.000 0.278 44 C C 2.471 177.348 174.990 -0.187 0.000 1.295 44 C CA 1.572 60.379 59.018 -0.351 0.000 1.738 44 C CB -1.420 26.078 27.740 -0.402 0.000 1.987 44 C HN 0.569 nan 8.230 nan 0.000 0.492 45 T N 0.901 115.365 114.554 -0.150 0.000 2.881 45 T HA -0.126 4.224 4.350 -0.000 0.000 0.270 45 T C 1.665 176.338 174.700 -0.045 0.000 1.068 45 T CA 1.214 63.269 62.100 -0.075 0.000 1.131 45 T CB -0.221 68.615 68.868 -0.053 0.000 0.871 45 T HN 0.619 nan 8.240 nan 0.000 0.479 46 E N 1.160 121.327 120.200 -0.056 0.000 2.021 46 E HA 0.043 4.393 4.350 -0.000 0.000 0.189 46 E C 2.147 178.749 176.600 0.003 0.000 0.980 46 E CA 0.597 57.005 56.400 0.014 0.000 0.803 46 E CB -0.395 29.338 29.700 0.056 0.000 0.766 46 E HN 0.322 nan 8.360 nan 0.000 0.449 47 L N 1.427 122.602 121.223 -0.080 0.000 2.549 47 L HA -0.092 4.248 4.340 -0.000 0.000 0.230 47 L C 0.642 177.499 176.870 -0.022 0.000 1.162 47 L CA 1.108 55.911 54.840 -0.062 0.000 0.834 47 L CB -1.123 40.868 42.059 -0.113 0.000 0.947 47 L HN 0.311 nan 8.230 nan 0.000 0.452 48 K N -0.909 119.478 120.400 -0.022 0.000 3.016 48 K HA -0.213 4.107 4.320 -0.000 0.000 0.262 48 K C 0.202 176.799 176.600 -0.004 0.000 1.043 48 K CA 0.389 56.671 56.287 -0.008 0.000 0.761 48 K CB -2.564 29.940 32.500 0.008 0.000 1.230 48 K HN 0.319 nan 8.250 nan 0.000 0.485 49 L N 1.191 122.406 121.223 -0.014 0.000 2.476 49 L HA 0.088 4.428 4.340 -0.000 0.000 0.264 49 L C 1.582 178.469 176.870 0.028 0.000 1.224 49 L CA -0.051 54.798 54.840 0.017 0.000 0.821 49 L CB 0.443 42.513 42.059 0.018 0.000 1.101 49 L HN 0.348 nan 8.230 nan 0.000 0.488 50 S N -0.983 114.754 115.700 0.063 0.000 2.686 50 S HA 0.109 4.579 4.470 -0.000 0.000 0.270 50 S C 0.479 175.144 174.600 0.109 0.000 1.194 50 S CA -0.432 57.812 58.200 0.073 0.000 0.990 50 S CB 1.376 64.623 63.200 0.078 0.000 1.029 50 S HN 0.708 nan 8.310 nan 0.000 0.560 51 D N -0.599 119.873 120.400 0.121 0.000 2.097 51 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 51 D C 1.718 178.154 176.300 0.226 0.000 0.984 51 D CA 1.379 55.469 54.000 0.149 0.000 0.826 51 D CB -0.356 40.529 40.800 0.142 0.000 0.973 51 D HN 0.655 nan 8.370 nan 0.000 0.460 52 Y N 1.068 121.449 120.300 0.136 0.000 2.274 52 Y HA -0.068 4.482 4.550 -0.000 0.000 0.290 52 Y C 1.690 177.744 175.900 0.256 0.000 1.145 52 Y CA 1.435 59.638 58.100 0.171 0.000 1.203 52 Y CB 0.134 38.588 38.460 -0.011 0.000 0.984 52 Y HN 0.059 nan 8.280 nan 0.000 0.533 53 E N -1.327 119.084 120.200 0.352 0.000 2.489 53 E HA 0.023 4.373 4.350 -0.000 0.000 0.193 53 E C 1.866 178.609 176.600 0.237 0.000 1.057 53 E CA 0.440 57.049 56.400 0.347 0.000 0.866 53 E CB 0.082 29.944 29.700 0.269 0.000 0.916 53 E HN 0.550 nan 8.360 nan 0.000 0.500 54 G N 0.582 109.494 108.800 0.188 0.000 2.921 54 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.213 54 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.213 54 G C 1.337 176.377 174.900 0.233 0.000 1.143 54 G CA -0.276 44.931 45.100 0.178 0.000 0.764 54 G HN 0.022 nan 8.290 nan 0.000 0.542 55 R N -0.554 120.039 120.500 0.155 0.000 2.359 55 R HA 0.248 4.587 4.340 -0.000 0.000 0.231 55 R C -0.197 176.104 176.300 0.002 0.000 0.913 55 R CA -0.409 55.714 56.100 0.040 0.000 1.075 55 R CB 0.233 30.514 30.300 -0.033 0.000 1.087 55 R HN 0.178 nan 8.270 nan 0.000 0.515 56 L N 1.873 123.147 121.223 0.085 0.000 2.385 56 L HA 0.123 4.463 4.340 -0.000 0.000 0.285 56 L C 1.238 178.120 176.870 0.020 0.000 1.125 56 L CA 0.237 55.101 54.840 0.040 0.000 0.890 56 L CB 0.323 42.431 42.059 0.082 0.000 1.251 56 L HN 0.108 nan 8.230 nan 0.000 0.445 57 I N 2.272 122.817 120.570 -0.041 0.000 2.290 57 I HA -0.396 3.774 4.170 -0.000 0.000 0.253 57 I C 1.677 177.820 176.117 0.043 0.000 1.112 57 I CA 1.445 62.732 61.300 -0.021 0.000 1.377 57 I CB 0.218 38.203 38.000 -0.024 0.000 1.060 57 I HN 0.791 nan 8.210 nan 0.000 0.428 58 Q N 0.723 120.515 119.800 -0.013 0.000 1.948 58 Q HA -0.226 4.114 4.340 -0.000 0.000 0.205 58 Q C 1.992 178.093 176.000 0.168 0.000 0.992 58 Q CA 1.950 57.747 55.803 -0.009 0.000 0.849 58 Q CB -1.136 27.420 28.738 -0.303 0.000 0.918 58 Q HN 0.589 nan 8.270 nan 0.000 0.421 59 N N 0.805 119.640 118.700 0.225 0.000 2.094 59 N HA -0.143 4.597 4.740 -0.000 0.000 0.191 59 N C 1.870 177.548 175.510 0.279 0.000 1.023 59 N CA 1.464 54.682 53.050 0.279 0.000 0.857 59 N CB -0.480 38.167 38.487 0.267 0.000 1.013 59 N HN 0.222 nan 8.380 nan 0.000 0.426 60 S N 0.932 116.796 115.700 0.273 0.000 2.353 60 S HA -0.064 4.406 4.470 -0.000 0.000 0.222 60 S C 2.109 176.878 174.600 0.282 0.000 1.035 60 S CA 0.829 59.198 58.200 0.282 0.000 1.025 60 S CB -0.350 62.823 63.200 -0.044 0.000 0.902 60 S HN 0.236 nan 8.310 nan 0.000 0.440 61 L N 0.691 122.077 121.223 0.271 0.000 1.997 61 L HA -0.177 4.163 4.340 -0.000 0.000 0.216 61 L C 2.874 179.907 176.870 0.271 0.000 1.074 61 L CA 2.022 57.057 54.840 0.326 0.000 0.763 61 L CB -1.387 40.800 42.059 0.213 0.000 0.890 61 L HN 0.343 nan 8.230 nan 0.000 0.434 62 T N 0.181 114.867 114.554 0.220 0.000 2.653 62 T HA -0.235 4.115 4.350 -0.000 0.000 0.268 62 T C 1.857 176.677 174.700 0.200 0.000 1.035 62 T CA 1.864 64.073 62.100 0.181 0.000 1.154 62 T CB -0.344 68.622 68.868 0.164 0.000 0.862 62 T HN 0.217 nan 8.240 nan 0.000 0.441 63 I N 0.869 121.581 120.570 0.237 0.000 2.208 63 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 63 I C 2.557 178.877 176.117 0.339 0.000 1.097 63 I CA 1.508 62.963 61.300 0.258 0.000 1.363 63 I CB -0.472 37.703 38.000 0.292 0.000 1.051 63 I HN 0.372 nan 8.210 nan 0.000 0.413 64 E N 0.827 121.247 120.200 0.367 0.000 2.110 64 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 64 E C 2.245 179.027 176.600 0.303 0.000 0.988 64 E CA 1.281 57.891 56.400 0.350 0.000 0.804 64 E CB -0.207 29.718 29.700 0.374 0.000 0.745 64 E HN 0.581 nan 8.360 nan 0.000 0.458 65 R N 0.822 121.519 120.500 0.329 0.000 2.075 65 R HA -0.001 4.338 4.340 -0.000 0.000 0.226 65 R C 2.168 178.568 176.300 0.166 0.000 1.114 65 R CA 1.157 57.405 56.100 0.246 0.000 0.972 65 R CB -0.535 29.860 30.300 0.157 0.000 0.869 65 R HN 0.102 nan 8.270 nan 0.000 0.437 66 M N 1.335 121.038 119.600 0.171 0.000 2.252 66 M HA -0.172 4.308 4.480 -0.000 0.000 0.257 66 M C 1.849 178.256 176.300 0.179 0.000 1.077 66 M CA 1.526 56.925 55.300 0.165 0.000 1.066 66 M CB -0.078 32.625 32.600 0.171 0.000 1.380 66 M HN 0.081 nan 8.290 nan 0.000 0.412 67 V N -0.751 119.263 119.914 0.167 0.000 2.581 67 V HA -0.094 4.026 4.120 -0.000 0.000 0.240 67 V C 2.032 178.133 176.094 0.012 0.000 1.054 67 V CA 0.824 63.181 62.300 0.094 0.000 1.076 67 V CB -0.312 31.463 31.823 -0.080 0.000 0.748 67 V HN 0.401 nan 8.190 nan 0.000 0.474 68 L N 1.199 122.411 121.223 -0.019 0.000 2.131 68 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 68 L C 2.784 179.683 176.870 0.049 0.000 1.092 68 L CA 1.811 56.632 54.840 -0.031 0.000 0.759 68 L CB -0.629 41.433 42.059 0.005 0.000 0.903 68 L HN 0.580 nan 8.230 nan 0.000 0.435 69 S N 0.241 115.986 115.700 0.074 0.000 2.356 69 S HA -0.179 4.291 4.470 -0.000 0.000 0.223 69 S C 2.171 176.812 174.600 0.068 0.000 1.032 69 S CA 0.879 59.121 58.200 0.069 0.000 1.005 69 S CB -0.499 62.744 63.200 0.072 0.000 0.867 69 S HN 0.334 nan 8.310 nan 0.000 0.449 70 A N 0.263 123.142 122.820 0.099 0.000 2.015 70 A HA 0.239 4.559 4.320 -0.000 0.000 0.219 70 A C 1.469 179.039 177.584 -0.024 0.000 1.163 70 A CA 0.793 52.866 52.037 0.061 0.000 0.646 70 A CB -0.798 18.274 19.000 0.119 0.000 0.806 70 A HN 0.568 nan 8.150 nan 0.000 0.448 71 F N -0.455 119.438 119.950 -0.094 0.000 2.660 71 F HA 0.358 4.884 4.527 -0.000 0.000 0.297 71 F C 0.317 176.070 175.800 -0.077 0.000 1.132 71 F CA 0.139 58.071 58.000 -0.114 0.000 1.372 71 F CB 0.148 39.005 39.000 -0.238 0.000 1.003 71 F HN 0.303 nan 8.300 nan 0.000 0.524 93 G N -0.735 108.124 108.800 0.099 0.000 2.975 93 G HA2 0.882 4.842 3.960 -0.000 0.000 0.291 93 G HA3 0.882 4.842 3.960 -0.000 0.000 0.291 93 G C -0.150 174.791 174.900 0.069 0.000 1.334 93 G CA -0.143 45.013 45.100 0.093 0.000 0.843 93 G HN 1.490 nan 8.290 nan 0.000 0.548 94 G N -1.240 107.588 108.800 0.047 0.000 2.328 94 G HA2 0.593 4.552 3.960 -0.000 0.000 0.295 94 G HA3 0.593 4.552 3.960 -0.000 0.000 0.295 94 G C -3.414 171.483 174.900 -0.005 0.000 1.413 94 G CA -0.553 44.569 45.100 0.035 0.000 0.817 94 G HN 0.574 nan 8.290 nan 0.000 0.546 95 P HA 0.485 nan 4.420 nan 0.000 0.282 95 P C -0.759 176.403 177.300 -0.231 0.000 1.274 95 P CA -0.196 62.808 63.100 -0.160 0.000 0.770 95 P CB 1.304 32.953 31.700 -0.085 0.000 0.867 96 I N 5.155 125.515 120.570 -0.350 0.000 2.439 96 I HA 0.248 4.418 4.170 -0.000 0.000 0.283 96 I C -0.249 175.724 176.117 -0.239 0.000 1.023 96 I CA -1.002 60.189 61.300 -0.182 0.000 1.100 96 I CB 1.073 39.047 38.000 -0.043 0.000 1.238 96 I HN 0.280 nan 8.210 nan 0.000 0.445 97 Y N 5.270 125.662 120.300 0.153 0.000 2.313 97 Y HA 0.575 5.125 4.550 -0.000 0.000 0.332 97 Y C 0.595 176.705 175.900 0.350 0.000 1.071 97 Y CA -0.580 57.670 58.100 0.250 0.000 1.169 97 Y CB 0.844 39.445 38.460 0.235 0.000 1.192 97 Y HN 0.473 nan 8.280 nan 0.000 0.487 98 R N 1.538 122.298 120.500 0.433 0.000 2.832 98 R HA 0.529 4.869 4.340 -0.000 0.000 0.271 98 R C -1.150 175.179 176.300 0.048 0.000 0.996 98 R CA -1.024 55.213 56.100 0.229 0.000 0.977 98 R CB 1.423 31.782 30.300 0.099 0.000 1.168 98 R HN 0.719 nan 8.270 nan 0.000 0.482 99 R N 2.684 123.041 120.500 -0.239 0.000 2.288 99 R HA 0.446 4.786 4.340 -0.000 0.000 0.326 99 R C -1.267 174.810 176.300 -0.371 0.000 0.959 99 R CA -0.465 55.245 56.100 -0.650 0.000 0.834 99 R CB 0.908 30.683 30.300 -0.874 0.000 1.157 99 R HN 0.380 nan 8.270 nan 0.000 0.470 100 V N 2.617 122.345 119.914 -0.310 0.000 2.881 100 V HA 0.135 4.255 4.120 -0.000 0.000 0.316 100 V C 0.007 175.977 176.094 -0.207 0.000 1.070 100 V CA -0.969 61.214 62.300 -0.195 0.000 0.976 100 V CB 1.852 33.609 31.823 -0.110 0.000 1.038 100 V HN 0.739 nan 8.190 nan 0.000 0.446 101 D N 2.630 122.940 120.400 -0.151 0.000 3.941 101 D HA 0.023 4.663 4.640 -0.000 0.000 0.225 101 D C 1.154 177.378 176.300 -0.128 0.000 1.298 101 D CA 1.980 55.902 54.000 -0.130 0.000 0.835 101 D CB 0.144 40.893 40.800 -0.086 0.000 1.205 101 D HN 1.054 nan 8.370 nan 0.000 0.644 102 G N 3.412 112.119 108.800 -0.154 0.000 3.757 102 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.215 102 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.215 102 G C 0.363 175.193 174.900 -0.118 0.000 1.411 102 G CA 0.348 45.380 45.100 -0.113 0.000 0.896 102 G HN 0.525 nan 8.290 nan 0.000 0.581 103 K N -0.625 119.707 120.400 -0.112 0.000 2.258 103 K HA 0.580 4.900 4.320 -0.000 0.000 0.236 103 K C -1.279 175.275 176.600 -0.077 0.000 1.008 103 K CA -0.859 55.414 56.287 -0.023 0.000 0.869 103 K CB 1.645 34.171 32.500 0.043 0.000 1.171 103 K HN 0.199 nan 8.250 nan 0.000 0.447 104 W N 1.637 122.963 121.300 0.043 0.000 2.391 104 W HA 0.327 4.987 4.660 -0.000 0.000 0.311 104 W C -0.032 176.546 176.519 0.099 0.000 1.087 104 W CA -0.588 56.805 57.345 0.080 0.000 1.209 104 W CB 1.082 30.607 29.460 0.109 0.000 1.273 104 W HN 0.085 nan 8.180 nan 0.000 0.482 105 R N 3.034 123.709 120.500 0.291 0.000 2.295 105 R HA 0.373 4.712 4.340 -0.000 0.000 0.324 105 R C -0.227 176.194 176.300 0.201 0.000 0.968 105 R CA -1.143 55.072 56.100 0.192 0.000 0.837 105 R CB 1.550 31.902 30.300 0.087 0.000 1.133 105 R HN 0.508 nan 8.270 nan 0.000 0.450 106 R N 2.354 122.933 120.500 0.131 0.000 2.234 106 R HA 0.122 4.462 4.340 -0.000 0.000 0.324 106 R C -0.591 175.649 176.300 -0.100 0.000 1.054 106 R CA -0.071 55.986 56.100 -0.072 0.000 0.912 106 R CB 0.716 30.970 30.300 -0.076 0.000 1.030 106 R HN 0.557 nan 8.270 nan 0.000 0.455 107 E N 4.337 124.451 120.200 -0.143 0.000 2.175 107 E HA 0.189 4.539 4.350 -0.000 0.000 0.278 107 E C -0.750 175.787 176.600 -0.105 0.000 0.969 107 E CA -0.603 55.748 56.400 -0.083 0.000 0.796 107 E CB 2.003 31.681 29.700 -0.036 0.000 1.104 107 E HN 0.393 nan 8.360 nan 0.000 0.395 108 L N 5.861 127.050 121.223 -0.056 0.000 2.255 108 L HA 0.439 4.779 4.340 -0.000 0.000 0.289 108 L C -0.417 176.451 176.870 -0.003 0.000 1.046 108 L CA -0.304 54.513 54.840 -0.038 0.000 0.816 108 L CB 0.191 42.238 42.059 -0.020 0.000 1.197 108 L HN 0.485 nan 8.230 nan 0.000 0.427 109 I N 1.561 122.136 120.570 0.010 0.000 3.002 109 I HA 0.686 4.856 4.170 -0.000 0.000 0.310 109 I C -1.433 174.736 176.117 0.087 0.000 1.087 109 I CA -1.083 60.249 61.300 0.054 0.000 1.017 109 I CB 2.200 40.239 38.000 0.064 0.000 1.226 109 I HN 0.246 nan 8.210 nan 0.000 0.443 110 L N 3.031 124.338 121.223 0.141 0.000 2.401 110 L HA 0.587 4.927 4.340 -0.000 0.000 0.266 110 L C -1.239 175.813 176.870 0.303 0.000 0.991 110 L CA -0.357 54.583 54.840 0.167 0.000 0.818 110 L CB 1.871 43.990 42.059 0.098 0.000 1.321 110 L HN 0.481 nan 8.230 nan 0.000 0.413 111 Y N -0.038 120.290 120.300 0.047 0.000 2.545 111 Y HA 0.348 4.898 4.550 -0.000 0.000 0.348 111 Y C -0.131 175.801 175.900 0.054 0.000 1.002 111 Y CA -1.142 56.991 58.100 0.054 0.000 1.039 111 Y CB 1.852 40.357 38.460 0.075 0.000 1.271 111 Y HN 0.530 nan 8.280 nan 0.000 0.467 112 D N 3.626 124.006 120.400 -0.034 0.000 2.402 112 D HA -0.018 4.622 4.640 -0.000 0.000 0.268 112 D C 0.796 177.148 176.300 0.087 0.000 1.294 112 D CA 0.554 54.554 54.000 0.000 0.000 0.945 112 D CB 0.805 41.566 40.800 -0.064 0.000 1.112 112 D HN 0.615 nan 8.370 nan 0.000 0.517 113 K N 2.665 123.112 120.400 0.078 0.000 2.242 113 K HA -0.255 4.065 4.320 -0.000 0.000 0.206 113 K C 1.689 178.323 176.600 0.057 0.000 1.045 113 K CA 1.349 57.682 56.287 0.077 0.000 0.930 113 K CB 0.140 32.659 32.500 0.033 0.000 0.726 113 K HN 0.624 nan 8.250 nan 0.000 0.462 114 E N 0.804 121.026 120.200 0.037 0.000 2.166 114 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 114 E C 1.936 178.586 176.600 0.082 0.000 0.967 114 E CA 0.525 56.936 56.400 0.018 0.000 0.840 114 E CB -0.098 29.599 29.700 -0.005 0.000 0.795 114 E HN 0.155 nan 8.360 nan 0.000 0.470 115 E N 1.341 121.596 120.200 0.091 0.000 2.114 115 E HA -0.222 4.128 4.350 -0.000 0.000 0.199 115 E C 1.810 178.567 176.600 0.261 0.000 1.008 115 E CA 1.660 58.142 56.400 0.137 0.000 0.810 115 E CB -0.252 29.492 29.700 0.074 0.000 0.739 115 E HN 0.359 nan 8.360 nan 0.000 0.456 116 I N 0.615 121.372 120.570 0.312 0.000 2.226 116 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 116 I C 2.388 178.792 176.117 0.479 0.000 1.100 116 I CA 1.452 63.007 61.300 0.425 0.000 1.374 116 I CB -0.371 37.863 38.000 0.390 0.000 1.057 116 I HN 0.073 nan 8.210 nan 0.000 0.413 117 R N -0.403 120.309 120.500 0.353 0.000 2.148 117 R HA -0.118 4.222 4.340 -0.000 0.000 0.227 117 R C 2.401 178.974 176.300 0.456 0.000 1.103 117 R CA 0.790 57.148 56.100 0.430 0.000 0.983 117 R CB -0.374 29.773 30.300 -0.255 0.000 0.874 117 R HN 0.312 nan 8.270 nan 0.000 0.451 118 R N 1.450 122.130 120.500 0.300 0.000 2.057 118 R HA -0.058 4.282 4.340 -0.000 0.000 0.229 118 R C 2.086 178.560 176.300 0.290 0.000 1.136 118 R CA 1.359 57.607 56.100 0.247 0.000 0.952 118 R CB -0.202 30.198 30.300 0.167 0.000 0.848 118 R HN 0.194 nan 8.270 nan 0.000 0.430 119 I N 0.244 121.022 120.570 0.346 0.000 2.286 119 I HA -0.307 3.863 4.170 -0.000 0.000 0.248 119 I C 2.470 178.857 176.117 0.450 0.000 1.115 119 I CA 1.226 62.746 61.300 0.368 0.000 1.392 119 I CB -0.649 37.606 38.000 0.426 0.000 1.065 119 I HN 0.455 nan 8.210 nan 0.000 0.418 120 W N 3.001 124.489 121.300 0.314 0.000 2.315 120 W HA -0.270 4.390 4.660 -0.000 0.000 0.323 120 W C 2.605 179.152 176.519 0.048 0.000 1.233 120 W CA 1.657 59.016 57.345 0.023 0.000 1.267 120 W CB -0.404 28.906 29.460 -0.250 0.000 1.160 120 W HN 0.067 nan 8.180 nan 0.000 0.474 121 R N -0.046 120.540 120.500 0.144 0.000 2.081 121 R HA -0.193 4.147 4.340 -0.000 0.000 0.235 121 R C 2.403 178.668 176.300 -0.058 0.000 1.131 121 R CA 1.571 57.669 56.100 -0.004 0.000 0.960 121 R CB -0.805 29.605 30.300 0.184 0.000 0.856 121 R HN 0.190 nan 8.270 nan 0.000 0.436 122 Q N 0.379 120.202 119.800 0.038 0.000 2.156 122 Q HA -0.226 4.114 4.340 -0.000 0.000 0.211 122 Q C 2.139 178.116 176.000 -0.037 0.000 0.995 122 Q CA 2.236 58.054 55.803 0.025 0.000 0.877 122 Q CB -0.349 28.435 28.738 0.077 0.000 0.920 122 Q HN 0.420 nan 8.270 nan 0.000 0.416 123 A N 1.215 123.984 122.820 -0.085 0.000 1.897 123 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 123 A C 1.447 178.885 177.584 -0.242 0.000 1.181 123 A CA 0.984 52.942 52.037 -0.133 0.000 0.620 123 A CB -0.246 18.695 19.000 -0.098 0.000 0.821 123 A HN 0.328 nan 8.150 nan 0.000 0.443 124 N N 0.712 119.168 118.700 -0.406 0.000 2.410 124 N HA 0.010 4.750 4.740 -0.000 0.000 0.231 124 N C -0.504 174.898 175.510 -0.180 0.000 1.172 124 N CA 0.301 53.140 53.050 -0.351 0.000 0.849 124 N CB -0.224 37.949 38.487 -0.523 0.000 1.116 124 N HN 0.446 nan 8.380 nan 0.000 0.485 125 N N -0.106 118.523 118.700 -0.118 0.000 2.747 125 N HA -0.199 4.541 4.740 -0.000 0.000 0.249 125 N C 0.823 176.312 175.510 -0.034 0.000 1.107 125 N CA 0.930 53.944 53.050 -0.061 0.000 0.707 125 N CB -1.265 37.191 38.487 -0.052 0.000 1.054 125 N HN 0.537 nan 8.380 nan 0.000 0.555 126 G N -1.777 107.006 108.800 -0.029 0.000 2.168 126 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.263 126 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.263 126 G C -0.026 174.896 174.900 0.036 0.000 0.977 126 G CA 0.528 45.640 45.100 0.020 0.000 0.659 126 G HN 0.560 nan 8.290 nan 0.000 0.533 127 D N -0.339 120.060 120.400 -0.002 0.000 2.411 127 D HA 0.284 4.924 4.640 -0.000 0.000 0.251 127 D C 0.960 177.318 176.300 0.098 0.000 1.201 127 D CA -0.273 53.744 54.000 0.028 0.000 0.996 127 D CB 0.525 41.319 40.800 -0.011 0.000 1.101 127 D HN 0.109 nan 8.370 nan 0.000 0.504 128 D N -0.144 120.342 120.400 0.144 0.000 2.262 128 D HA 0.064 4.704 4.640 -0.000 0.000 0.212 128 D C 0.425 176.903 176.300 0.298 0.000 0.964 128 D CA 0.456 54.611 54.000 0.259 0.000 0.875 128 D CB 0.167 41.089 40.800 0.203 0.000 0.996 128 D HN 0.481 nan 8.370 nan 0.000 0.497 129 A N 1.327 124.242 122.820 0.159 0.000 2.362 129 A HA -0.211 4.109 4.320 -0.000 0.000 0.290 129 A C 1.481 179.172 177.584 0.178 0.000 1.441 129 A CA 0.921 53.040 52.037 0.137 0.000 0.743 129 A CB -2.243 16.809 19.000 0.086 0.000 1.125 129 A HN 0.224 nan 8.150 nan 0.000 0.378 130 T N 0.332 114.944 114.554 0.098 0.000 2.759 130 T HA -0.035 4.315 4.350 -0.000 0.000 0.269 130 T C 2.377 177.102 174.700 0.041 0.000 1.042 130 T CA 2.152 64.279 62.100 0.045 0.000 1.140 130 T CB -0.345 68.549 68.868 0.042 0.000 0.864 130 T HN 1.617 nan 8.240 nan 0.000 0.455 131 A N 1.699 124.550 122.820 0.052 0.000 1.896 131 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 131 A C 2.662 180.292 177.584 0.076 0.000 1.206 131 A CA 2.238 54.304 52.037 0.048 0.000 0.647 131 A CB -1.582 17.429 19.000 0.018 0.000 0.828 131 A HN 0.531 nan 8.150 nan 0.000 0.455 132 G N -0.571 108.301 108.800 0.121 0.000 2.440 132 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 132 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 132 G C 1.566 176.557 174.900 0.152 0.000 1.154 132 G CA 1.152 46.384 45.100 0.221 0.000 0.767 132 G HN 0.465 nan 8.290 nan 0.000 0.552 133 L N 0.142 121.325 121.223 -0.067 0.000 2.109 133 L HA -0.031 4.308 4.340 -0.000 0.000 0.207 133 L C 3.135 179.944 176.870 -0.102 0.000 1.086 133 L CA 1.332 55.992 54.840 -0.300 0.000 0.760 133 L CB -0.612 41.166 42.059 -0.468 0.000 0.910 133 L HN 0.151 nan 8.230 nan 0.000 0.437 134 T N -2.140 112.402 114.554 -0.020 0.000 2.833 134 T HA -0.228 4.122 4.350 -0.000 0.000 0.269 134 T C 1.781 176.523 174.700 0.069 0.000 1.054 134 T CA 1.302 63.413 62.100 0.018 0.000 1.135 134 T CB -0.246 68.645 68.868 0.038 0.000 0.869 134 T HN 0.354 nan 8.240 nan 0.000 0.466 135 H N 1.200 120.273 119.070 0.005 0.000 2.353 135 H HA 0.115 4.671 4.556 -0.000 0.000 0.300 135 H C 1.989 177.355 175.328 0.063 0.000 1.090 135 H CA 1.468 57.545 56.048 0.048 0.000 1.327 135 H CB -0.173 29.630 29.762 0.068 0.000 1.383 135 H HN 0.294 nan 8.280 nan 0.000 0.508 136 M N -1.194 118.454 119.600 0.081 0.000 2.506 136 M HA -0.016 4.464 4.480 -0.000 0.000 0.260 136 M C 1.984 178.149 176.300 -0.225 0.000 1.104 136 M CA 0.664 55.938 55.300 -0.044 0.000 1.112 136 M CB -0.004 32.553 32.600 -0.071 0.000 1.401 136 M HN 0.274 nan 8.290 nan 0.000 0.473 137 M N 1.149 120.683 119.600 -0.109 0.000 2.229 137 M HA -0.035 4.445 4.480 -0.000 0.000 0.264 137 M C 1.734 178.001 176.300 -0.055 0.000 1.063 137 M CA 1.758 57.014 55.300 -0.073 0.000 1.114 137 M CB -0.119 32.464 32.600 -0.028 0.000 1.387 137 M HN 0.166 nan 8.290 nan 0.000 0.420 138 I N -1.410 119.128 120.570 -0.053 0.000 2.480 138 I HA -0.205 3.965 4.170 -0.000 0.000 0.251 138 I C 2.215 178.311 176.117 -0.034 0.000 1.124 138 I CA 0.690 61.967 61.300 -0.040 0.000 1.444 138 I CB -0.739 37.234 38.000 -0.045 0.000 1.098 138 I HN 0.603 nan 8.210 nan 0.000 0.428 139 W N 2.710 123.874 121.300 -0.225 0.000 2.342 139 W HA -0.238 4.422 4.660 -0.000 0.000 0.297 139 W C 1.965 178.459 176.519 -0.042 0.000 1.213 139 W CA 1.584 58.809 57.345 -0.200 0.000 1.251 139 W CB -0.641 28.660 29.460 -0.266 0.000 1.136 139 W HN 0.269 nan 8.180 nan 0.000 0.526 140 H N -0.218 118.525 119.070 -0.545 0.000 2.357 140 H HA -0.166 4.390 4.556 -0.000 0.000 0.301 140 H C 2.782 177.858 175.328 -0.419 0.000 1.082 140 H CA 1.520 57.169 56.048 -0.664 0.000 1.342 140 H CB -0.203 29.357 29.762 -0.336 0.000 1.389 140 H HN 0.077 nan 8.280 nan 0.000 0.511 141 S N 0.600 116.243 115.700 -0.096 0.000 2.351 141 S HA -0.198 4.272 4.470 -0.000 0.000 0.220 141 S C 1.997 176.543 174.600 -0.091 0.000 1.035 141 S CA 1.591 59.756 58.200 -0.058 0.000 1.031 141 S CB -0.192 63.003 63.200 -0.008 0.000 0.928 141 S HN 0.405 nan 8.310 nan 0.000 0.433 142 N N 1.123 119.760 118.700 -0.105 0.000 2.289 142 N HA -0.048 4.692 4.740 -0.000 0.000 0.184 142 N C 1.501 176.901 175.510 -0.182 0.000 1.016 142 N CA 0.712 53.703 53.050 -0.097 0.000 0.872 142 N CB -0.579 37.878 38.487 -0.050 0.000 0.973 142 N HN 0.354 nan 8.380 nan 0.000 0.433 143 L N 0.708 121.730 121.223 -0.335 0.000 2.217 143 L HA 0.050 4.389 4.340 -0.000 0.000 0.211 143 L C 1.511 178.211 176.870 -0.283 0.000 1.107 143 L CA 1.474 56.069 54.840 -0.410 0.000 0.783 143 L CB -0.686 40.898 42.059 -0.791 0.000 0.919 143 L HN 0.016 nan 8.230 nan 0.000 0.442 144 N N -0.919 117.659 118.700 -0.203 0.000 2.368 144 N HA -0.097 4.643 4.740 -0.000 0.000 0.176 144 N C 1.083 176.598 175.510 0.008 0.000 1.021 144 N CA 0.694 53.687 53.050 -0.094 0.000 0.888 144 N CB 0.129 38.603 38.487 -0.023 0.000 0.995 144 N HN 0.244 nan 8.380 nan 0.000 0.437 145 D N -0.759 119.648 120.400 0.012 0.000 2.348 145 D HA 0.058 4.698 4.640 -0.000 0.000 0.216 145 D C 1.122 177.437 176.300 0.026 0.000 0.970 145 D CA 0.490 54.545 54.000 0.093 0.000 0.889 145 D CB 0.106 40.971 40.800 0.108 0.000 0.912 145 D HN 0.360 nan 8.370 nan 0.000 0.524 146 A N -0.817 121.990 122.820 -0.023 0.000 2.127 146 A HA 0.083 4.403 4.320 -0.000 0.000 0.204 146 A C 2.095 179.754 177.584 0.125 0.000 1.243 146 A CA 0.360 52.422 52.037 0.042 0.000 0.887 146 A CB -0.022 18.902 19.000 -0.127 0.000 0.933 146 A HN 0.098 nan 8.150 nan 0.000 0.479 147 T N -0.722 113.766 114.554 -0.110 0.000 2.896 147 T HA 0.143 4.493 4.350 -0.000 0.000 0.263 147 T C 0.132 174.606 174.700 -0.377 0.000 1.050 147 T CA 0.976 62.854 62.100 -0.370 0.000 1.140 147 T CB -0.253 68.150 68.868 -0.776 0.000 0.877 147 T HN 0.459 nan 8.240 nan 0.000 0.457 148 Y N 0.058 120.458 120.300 0.166 0.000 2.562 148 Y HA 0.550 5.100 4.550 -0.000 0.000 0.343 148 Y C 0.095 176.019 175.900 0.041 0.000 1.025 148 Y CA -1.484 56.681 58.100 0.107 0.000 1.082 148 Y CB 1.723 40.201 38.460 0.030 0.000 1.264 148 Y HN -0.183 nan 8.280 nan 0.000 0.478 149 Q N 2.201 122.050 119.800 0.082 0.000 2.322 149 Q HA 0.374 4.714 4.340 -0.000 0.000 0.265 149 Q C -0.833 175.095 176.000 -0.120 0.000 0.985 149 Q CA -0.973 54.661 55.803 -0.282 0.000 0.849 149 Q CB 1.005 29.438 28.738 -0.509 0.000 1.274 149 Q HN 0.567 nan 8.270 nan 0.000 0.449 150 R N 3.264 123.701 120.500 -0.105 0.000 3.436 150 R HA 0.187 4.527 4.340 -0.000 0.000 0.247 150 R C 0.049 176.301 176.300 -0.079 0.000 1.434 150 R CA 0.010 56.074 56.100 -0.059 0.000 1.543 150 R CB 0.521 30.811 30.300 -0.017 0.000 1.289 150 R HN 0.719 nan 8.270 nan 0.000 0.664 151 T N 0.047 114.549 114.554 -0.086 0.000 2.901 151 T HA -0.008 4.342 4.350 -0.000 0.000 0.252 151 T C 1.813 176.482 174.700 -0.053 0.000 1.035 151 T CA 0.326 62.381 62.100 -0.075 0.000 1.142 151 T CB 0.187 69.012 68.868 -0.072 0.000 0.869 151 T HN 0.396 nan 8.240 nan 0.000 0.442 152 R N 1.165 121.635 120.500 -0.050 0.000 2.119 152 R HA -0.178 4.162 4.340 -0.000 0.000 0.246 152 R C 2.391 178.672 176.300 -0.033 0.000 1.146 152 R CA 1.807 57.884 56.100 -0.039 0.000 0.962 152 R CB -0.420 29.854 30.300 -0.044 0.000 0.863 152 R HN 0.388 nan 8.270 nan 0.000 0.442 153 A N 0.576 123.374 122.820 -0.037 0.000 1.930 153 A HA -0.021 4.299 4.320 -0.000 0.000 0.215 153 A C 2.196 179.759 177.584 -0.034 0.000 1.176 153 A CA 0.719 52.737 52.037 -0.032 0.000 0.632 153 A CB -0.260 18.721 19.000 -0.032 0.000 0.819 153 A HN 0.300 nan 8.150 nan 0.000 0.445 154 L N 0.163 121.360 121.223 -0.043 0.000 2.056 154 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 154 L C 2.703 179.553 176.870 -0.034 0.000 1.078 154 L CA 1.641 56.452 54.840 -0.048 0.000 0.749 154 L CB -0.930 41.092 42.059 -0.061 0.000 0.901 154 L HN 0.442 nan 8.230 nan 0.000 0.433 155 V N -2.354 117.546 119.914 -0.023 0.000 2.323 155 V HA -0.181 3.939 4.120 -0.000 0.000 0.244 155 V C 2.603 178.703 176.094 0.010 0.000 1.041 155 V CA 1.285 63.583 62.300 -0.004 0.000 1.025 155 V CB -0.877 30.943 31.823 -0.005 0.000 0.656 155 V HN 0.387 nan 8.190 nan 0.000 0.451 156 R N 0.547 121.048 120.500 0.003 0.000 2.159 156 R HA -0.143 4.197 4.340 -0.000 0.000 0.237 156 R C 2.155 178.468 176.300 0.021 0.000 1.131 156 R CA 2.104 58.212 56.100 0.013 0.000 0.982 156 R CB -0.638 29.663 30.300 0.003 0.000 0.868 156 R HN 0.682 nan 8.270 nan 0.000 0.453 157 T N -1.449 113.104 114.554 -0.002 0.000 2.978 157 T HA 0.077 4.427 4.350 -0.000 0.000 0.262 157 T C 0.976 175.660 174.700 -0.026 0.000 1.063 157 T CA 1.166 63.250 62.100 -0.025 0.000 1.140 157 T CB 0.172 69.000 68.868 -0.066 0.000 0.886 157 T HN 0.519 nan 8.240 nan 0.000 0.470 158 G N 1.637 110.440 108.800 0.006 0.000 2.181 158 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.152 158 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.152 158 G C -0.159 174.742 174.900 0.001 0.000 1.026 158 G CA -0.541 44.599 45.100 0.066 0.000 0.699 158 G HN 0.400 nan 8.290 nan 0.000 0.497 159 M N 0.183 119.766 119.600 -0.029 0.000 2.508 159 M HA 0.485 4.965 4.480 -0.000 0.000 0.327 159 M C -0.491 175.796 176.300 -0.022 0.000 1.160 159 M CA -0.939 54.337 55.300 -0.040 0.000 0.980 159 M CB 1.467 34.026 32.600 -0.068 0.000 1.693 159 M HN 0.046 nan 8.290 nan 0.000 0.452 160 D N 3.596 123.985 120.400 -0.019 0.000 2.383 160 D HA 0.165 4.805 4.640 -0.000 0.000 0.252 160 D C -1.391 174.888 176.300 -0.035 0.000 1.166 160 D CA -1.516 52.475 54.000 -0.015 0.000 0.879 160 D CB 1.163 41.959 40.800 -0.007 0.000 1.164 160 D HN 0.288 nan 8.370 nan 0.000 0.462 161 P HA -0.183 nan 4.420 nan 0.000 0.218 161 P C 0.609 177.876 177.300 -0.056 0.000 1.146 161 P CA 0.930 64.001 63.100 -0.047 0.000 0.813 161 P CB 0.201 31.881 31.700 -0.032 0.000 0.778 162 R N -0.714 119.764 120.500 -0.037 0.000 2.343 162 R HA 0.160 4.500 4.340 -0.000 0.000 0.202 162 R C 1.512 177.767 176.300 -0.075 0.000 1.023 162 R CA 0.330 56.407 56.100 -0.038 0.000 1.084 162 R CB -0.703 29.591 30.300 -0.009 0.000 0.956 162 R HN 0.306 nan 8.270 nan 0.000 0.478 163 M N -0.719 118.823 119.600 -0.096 0.000 2.637 163 M HA 0.070 4.550 4.480 -0.000 0.000 0.286 163 M C 1.130 177.308 176.300 -0.202 0.000 1.246 163 M CA -0.355 54.865 55.300 -0.133 0.000 0.978 163 M CB 0.412 32.945 32.600 -0.111 0.000 1.417 163 M HN 0.192 nan 8.290 nan 0.000 0.487 164 C N 0.529 119.702 119.300 -0.211 0.000 2.363 164 C HA -0.218 4.242 4.460 -0.000 0.000 0.274 164 C C 2.845 177.402 174.990 -0.723 0.000 1.183 164 C CA 2.178 61.005 59.018 -0.319 0.000 1.771 164 C CB -0.988 26.681 27.740 -0.119 0.000 2.059 164 C HN 0.728 nan 8.230 nan 0.000 0.455 165 S N 0.108 115.467 115.700 -0.568 0.000 2.584 165 S HA 0.040 4.510 4.470 -0.000 0.000 0.240 165 S C 1.068 175.365 174.600 -0.506 0.000 0.975 165 S CA 1.060 58.874 58.200 -0.643 0.000 0.949 165 S CB -0.578 62.483 63.200 -0.231 0.000 0.761 165 S HN 0.712 nan 8.310 nan 0.000 0.536 166 L N -1.127 119.826 121.223 -0.450 0.000 2.920 166 L HA 0.449 4.789 4.340 -0.000 0.000 0.257 166 L C 0.997 177.715 176.870 -0.254 0.000 1.150 166 L CA -0.046 54.629 54.840 -0.275 0.000 0.959 166 L CB -0.034 41.906 42.059 -0.197 0.000 1.321 166 L HN 0.314 nan 8.230 nan 0.000 0.555 167 M N 0.904 120.294 119.600 -0.349 0.000 2.723 167 M HA 0.128 4.608 4.480 -0.000 0.000 0.270 167 M C 0.614 176.898 176.300 -0.026 0.000 1.282 167 M CA 0.084 55.278 55.300 -0.176 0.000 0.995 167 M CB -0.329 32.184 32.600 -0.145 0.000 1.430 167 M HN 0.041 nan 8.290 nan 0.000 0.477 168 Q N 0.202 120.010 119.800 0.014 0.000 2.301 168 Q HA 0.347 4.687 4.340 -0.000 0.000 0.262 168 Q C 0.790 176.868 176.000 0.130 0.000 1.168 168 Q CA 0.947 56.883 55.803 0.221 0.000 0.908 168 Q CB -0.160 28.731 28.738 0.255 0.000 1.348 168 Q HN 0.772 nan 8.270 nan 0.000 0.441 169 G N 2.625 111.508 108.800 0.138 0.000 2.134 169 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.209 169 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.209 169 G C 0.598 175.527 174.900 0.050 0.000 0.993 169 G CA 0.380 45.526 45.100 0.077 0.000 0.669 169 G HN 0.843 nan 8.290 nan 0.000 0.519 170 S N -0.933 114.800 115.700 0.055 0.000 2.469 170 S HA -0.040 4.430 4.470 -0.000 0.000 0.238 170 S C 1.928 176.545 174.600 0.028 0.000 0.998 170 S CA 2.291 60.508 58.200 0.028 0.000 0.957 170 S CB -0.253 62.959 63.200 0.019 0.000 0.764 170 S HN 0.532 nan 8.310 nan 0.000 0.514 171 T N 1.644 116.222 114.554 0.039 0.000 3.065 171 T HA 0.308 4.657 4.350 -0.000 0.000 0.252 171 T C 0.188 174.902 174.700 0.023 0.000 1.099 171 T CA -0.217 61.900 62.100 0.030 0.000 1.063 171 T CB -0.218 68.671 68.868 0.036 0.000 0.948 171 T HN 0.308 nan 8.240 nan 0.000 0.506 172 L N 4.119 125.356 121.223 0.024 0.000 2.407 172 L HA 0.332 4.672 4.340 -0.000 0.000 0.282 172 L C -2.457 174.424 176.870 0.017 0.000 1.110 172 L CA -2.840 52.012 54.840 0.020 0.000 0.863 172 L CB -0.065 42.006 42.059 0.020 0.000 1.207 172 L HN -0.150 nan 8.230 nan 0.000 0.454 173 P HA -0.047 nan 4.420 nan 0.000 0.263 173 P C 0.226 177.535 177.300 0.014 0.000 1.168 173 P CA -0.068 63.042 63.100 0.016 0.000 0.759 173 P CB 0.255 31.967 31.700 0.019 0.000 0.782 174 R N 5.725 126.233 120.500 0.013 0.000 2.154 174 R HA -0.213 4.127 4.340 -0.000 0.000 0.248 174 R C 1.671 177.980 176.300 0.014 0.000 1.155 174 R CA 1.717 57.825 56.100 0.013 0.000 0.979 174 R CB -1.429 28.879 30.300 0.014 0.000 0.869 174 R HN 0.411 nan 8.270 nan 0.000 0.452 175 R N 1.504 122.013 120.500 0.015 0.000 2.226 175 R HA -0.063 4.276 4.340 -0.000 0.000 0.246 175 R C 0.424 176.733 176.300 0.014 0.000 1.161 175 R CA 1.016 57.125 56.100 0.016 0.000 0.997 175 R CB -0.321 29.990 30.300 0.017 0.000 0.870 175 R HN 0.408 nan 8.270 nan 0.000 0.465 176 S N -0.598 115.109 115.700 0.012 0.000 2.550 176 S HA 0.069 4.539 4.470 -0.000 0.000 0.285 176 S C 0.621 175.230 174.600 0.014 0.000 1.326 176 S CA 0.164 58.371 58.200 0.012 0.000 1.037 176 S CB 0.799 64.006 63.200 0.012 0.000 0.838 176 S HN 0.409 nan 8.310 nan 0.000 0.519 177 G N 1.581 110.391 108.800 0.017 0.000 2.553 177 G HA2 0.499 4.459 3.960 -0.000 0.000 0.278 177 G HA3 0.499 4.459 3.960 -0.000 0.000 0.278 177 G C 1.150 176.059 174.900 0.014 0.000 1.349 177 G CA -0.128 44.983 45.100 0.018 0.000 1.037 177 G HN 1.152 nan 8.290 nan 0.000 0.508 178 A N -0.973 121.855 122.820 0.013 0.000 1.969 178 A HA 0.267 4.587 4.320 -0.000 0.000 0.218 178 A C 2.409 179.997 177.584 0.006 0.000 1.169 178 A CA 2.287 54.329 52.037 0.009 0.000 0.635 178 A CB -0.464 18.541 19.000 0.008 0.000 0.810 178 A HN 1.237 nan 8.150 nan 0.000 0.445 179 A N -1.074 121.753 122.820 0.012 0.000 2.308 179 A HA 0.431 4.751 4.320 -0.000 0.000 0.217 179 A C 1.981 179.575 177.584 0.017 0.000 1.216 179 A CA 0.984 53.028 52.037 0.012 0.000 0.864 179 A CB -0.583 18.428 19.000 0.018 0.000 0.902 179 A HN 0.565 nan 8.150 nan 0.000 0.499 180 G N -0.486 108.325 108.800 0.018 0.000 2.430 180 G HA2 0.166 4.125 3.960 -0.000 0.000 0.216 180 G HA3 0.166 4.125 3.960 -0.000 0.000 0.216 180 G C 1.506 176.410 174.900 0.008 0.000 1.146 180 G CA 1.002 46.113 45.100 0.017 0.000 0.793 180 G HN 0.615 nan 8.290 nan 0.000 0.537 181 A N 0.987 123.807 122.820 0.001 0.000 1.975 181 A HA 0.532 4.852 4.320 -0.000 0.000 0.215 181 A C 2.654 180.225 177.584 -0.021 0.000 1.170 181 A CA 1.457 53.489 52.037 -0.008 0.000 0.656 181 A CB -0.483 18.512 19.000 -0.009 0.000 0.821 181 A HN 0.640 nan 8.150 nan 0.000 0.449 182 A N -0.550 122.257 122.820 -0.022 0.000 2.139 182 A HA -0.039 4.281 4.320 -0.000 0.000 0.221 182 A C 2.085 179.635 177.584 -0.058 0.000 1.159 182 A CA 1.688 53.701 52.037 -0.039 0.000 0.662 182 A CB -0.673 18.309 19.000 -0.031 0.000 0.796 182 A HN 0.690 nan 8.150 nan 0.000 0.463 183 V N -0.629 119.263 119.914 -0.037 0.000 3.235 183 V HA 0.043 4.162 4.120 -0.000 0.000 0.259 183 V C 0.841 176.918 176.094 -0.029 0.000 1.133 183 V CA 0.547 62.824 62.300 -0.037 0.000 1.128 183 V CB -0.531 31.299 31.823 0.012 0.000 0.757 183 V HN 0.494 nan 8.190 nan 0.000 0.469 184 K N 1.209 121.593 120.400 -0.027 0.000 2.448 184 K HA 0.311 4.631 4.320 -0.000 0.000 0.278 184 K C 0.609 177.175 176.600 -0.055 0.000 1.009 184 K CA 0.460 56.733 56.287 -0.024 0.000 0.995 184 K CB 0.669 33.152 32.500 -0.028 0.000 0.917 184 K HN 0.468 nan 8.250 nan 0.000 0.481 185 G N 1.017 109.792 108.800 -0.042 0.000 2.539 185 G HA2 0.108 4.068 3.960 -0.000 0.000 0.258 185 G HA3 0.108 4.068 3.960 -0.000 0.000 0.258 185 G C 1.162 175.987 174.900 -0.125 0.000 1.202 185 G CA -0.823 44.227 45.100 -0.085 0.000 0.851 185 G HN 0.423 nan 8.290 nan 0.000 0.556 186 V N 2.312 122.118 119.914 -0.180 0.000 2.282 186 V HA -0.195 3.925 4.120 -0.000 0.000 0.249 186 V C 3.105 179.121 176.094 -0.130 0.000 1.057 186 V CA 2.594 64.762 62.300 -0.220 0.000 1.032 186 V CB -1.113 30.506 31.823 -0.340 0.000 0.645 186 V HN 0.865 nan 8.190 nan 0.000 0.447 187 G N -0.660 108.065 108.800 -0.125 0.000 2.462 187 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.220 187 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.220 187 G C 1.605 176.453 174.900 -0.088 0.000 1.121 187 G CA 1.544 46.581 45.100 -0.105 0.000 0.758 187 G HN 0.517 nan 8.290 nan 0.000 0.559 188 T N 1.201 115.705 114.554 -0.083 0.000 2.857 188 T HA -0.018 4.332 4.350 -0.000 0.000 0.266 188 T C 2.516 177.189 174.700 -0.045 0.000 1.048 188 T CA 0.935 63.001 62.100 -0.056 0.000 1.139 188 T CB -0.110 68.736 68.868 -0.038 0.000 0.874 188 T HN 0.091 nan 8.240 nan 0.000 0.455 189 M N 0.982 120.552 119.600 -0.050 0.000 2.099 189 M HA -0.021 4.459 4.480 -0.000 0.000 0.262 189 M C 2.570 178.853 176.300 -0.028 0.000 1.067 189 M CA 1.075 56.354 55.300 -0.035 0.000 1.124 189 M CB -1.270 31.307 32.600 -0.038 0.000 1.353 189 M HN 0.132 nan 8.290 nan 0.000 0.410 190 V N 0.546 120.441 119.914 -0.032 0.000 2.278 190 V HA -0.336 3.784 4.120 -0.000 0.000 0.251 190 V C 2.531 178.588 176.094 -0.062 0.000 1.062 190 V CA 1.994 64.270 62.300 -0.040 0.000 1.038 190 V CB -0.805 30.992 31.823 -0.043 0.000 0.646 190 V HN 0.517 nan 8.190 nan 0.000 0.447 191 M N -0.647 118.915 119.600 -0.063 0.000 2.267 191 M HA -0.207 4.273 4.480 -0.000 0.000 0.263 191 M C 2.069 178.343 176.300 -0.045 0.000 1.063 191 M CA 1.763 57.024 55.300 -0.065 0.000 1.090 191 M CB -0.115 32.453 32.600 -0.054 0.000 1.392 191 M HN 0.535 nan 8.290 nan 0.000 0.422 192 E N 0.128 120.313 120.200 -0.026 0.000 2.022 192 E HA -0.123 4.227 4.350 -0.000 0.000 0.190 192 E C 1.949 178.558 176.600 0.014 0.000 0.973 192 E CA 0.975 57.373 56.400 -0.004 0.000 0.816 192 E CB -0.348 29.353 29.700 0.003 0.000 0.781 192 E HN 0.419 nan 8.360 nan 0.000 0.456 193 L N 1.317 122.558 121.223 0.030 0.000 2.010 193 L HA -0.272 4.068 4.340 -0.000 0.000 0.219 193 L C 2.555 179.457 176.870 0.053 0.000 1.077 193 L CA 0.932 55.820 54.840 0.081 0.000 0.773 193 L CB -0.650 41.461 42.059 0.085 0.000 0.892 193 L HN 0.256 nan 8.230 nan 0.000 0.436 194 I N -0.280 120.277 120.570 -0.022 0.000 2.315 194 I HA -0.293 3.876 4.170 -0.000 0.000 0.251 194 I C 2.674 178.770 176.117 -0.035 0.000 1.125 194 I CA 1.575 62.818 61.300 -0.096 0.000 1.392 194 I CB -1.161 36.681 38.000 -0.264 0.000 1.065 194 I HN 0.322 nan 8.210 nan 0.000 0.424 195 R N 0.621 121.112 120.500 -0.014 0.000 2.112 195 R HA 0.004 4.343 4.340 -0.000 0.000 0.216 195 R C 2.263 178.578 176.300 0.025 0.000 1.080 195 R CA 0.909 57.014 56.100 0.008 0.000 0.996 195 R CB -0.422 29.879 30.300 0.002 0.000 0.902 195 R HN 0.265 nan 8.270 nan 0.000 0.449 196 M N -0.235 119.385 119.600 0.032 0.000 2.067 196 M HA -0.160 4.320 4.480 -0.000 0.000 0.260 196 M C 1.781 178.100 176.300 0.032 0.000 1.069 196 M CA 1.917 57.240 55.300 0.039 0.000 1.117 196 M CB -0.178 32.461 32.600 0.065 0.000 1.334 196 M HN 0.228 nan 8.290 nan 0.000 0.407 197 I N 0.314 120.911 120.570 0.045 0.000 2.127 197 I HA -0.355 3.814 4.170 -0.000 0.000 0.241 197 I C 2.510 178.662 176.117 0.058 0.000 1.075 197 I CA 1.749 63.070 61.300 0.035 0.000 1.334 197 I CB -0.505 37.538 38.000 0.071 0.000 1.040 197 I HN 0.383 nan 8.210 nan 0.000 0.405 198 K N 0.608 121.059 120.400 0.085 0.000 2.063 198 K HA -0.217 4.102 4.320 -0.000 0.000 0.208 198 K C 2.399 179.039 176.600 0.068 0.000 1.048 198 K CA 1.414 57.771 56.287 0.116 0.000 0.928 198 K CB -0.000 32.585 32.500 0.142 0.000 0.713 198 K HN 0.038 nan 8.250 nan 0.000 0.442 199 R N 0.004 120.530 120.500 0.044 0.000 2.090 199 R HA -0.004 4.335 4.340 -0.000 0.000 0.228 199 R C 2.341 178.650 176.300 0.016 0.000 1.110 199 R CA 1.403 57.520 56.100 0.028 0.000 0.973 199 R CB -0.985 29.327 30.300 0.021 0.000 0.869 199 R HN 0.485 nan 8.270 nan 0.000 0.440 200 G N 1.625 110.430 108.800 0.009 0.000 2.484 200 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.215 200 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.215 200 G C 1.377 176.273 174.900 -0.008 0.000 1.219 200 G CA 0.382 45.478 45.100 -0.007 0.000 0.791 200 G HN 0.162 nan 8.290 nan 0.000 0.550 201 I N 1.301 121.869 120.570 -0.003 0.000 2.700 201 I HA -0.060 4.110 4.170 -0.000 0.000 0.261 201 I C 1.352 177.473 176.117 0.007 0.000 1.219 201 I CA 0.363 61.663 61.300 -0.000 0.000 1.463 201 I CB -1.572 36.438 38.000 0.016 0.000 1.092 201 I HN 0.228 nan 8.210 nan 0.000 0.452 214 R N 2.305 122.814 120.500 0.014 0.000 2.237 214 R HA -0.022 4.318 4.340 -0.000 0.000 0.219 214 R C 1.701 178.018 176.300 0.028 0.000 1.080 214 R CA 1.748 57.860 56.100 0.020 0.000 0.995 214 R CB -0.486 29.826 30.300 0.019 0.000 0.875 214 R HN 0.474 nan 8.270 nan 0.000 0.462 215 T N -0.666 113.903 114.554 0.025 0.000 2.896 215 T HA -0.241 4.109 4.350 -0.000 0.000 0.270 215 T C 1.773 176.506 174.700 0.055 0.000 1.104 215 T CA 1.426 63.546 62.100 0.033 0.000 1.115 215 T CB -0.185 68.693 68.868 0.017 0.000 0.843 215 T HN 0.133 nan 8.240 nan 0.000 0.523 216 R N 1.552 122.082 120.500 0.050 0.000 2.057 216 R HA 0.207 4.547 4.340 -0.000 0.000 0.229 216 R C 2.316 178.688 176.300 0.120 0.000 1.136 216 R CA 1.270 57.419 56.100 0.081 0.000 0.952 216 R CB -1.024 29.306 30.300 0.051 0.000 0.848 216 R HN 0.537 nan 8.270 nan 0.000 0.430 217 I N 0.853 121.470 120.570 0.078 0.000 2.248 217 I HA -0.315 3.855 4.170 -0.000 0.000 0.248 217 I C 2.291 178.450 176.117 0.069 0.000 1.107 217 I CA 1.353 62.693 61.300 0.066 0.000 1.373 217 I CB -0.541 37.485 38.000 0.043 0.000 1.055 217 I HN 0.336 nan 8.210 nan 0.000 0.418 218 A N 0.722 123.589 122.820 0.078 0.000 1.841 218 A HA -0.319 4.001 4.320 -0.000 0.000 0.216 218 A C 2.301 179.946 177.584 0.101 0.000 1.199 218 A CA 2.026 54.109 52.037 0.076 0.000 0.621 218 A CB -1.330 17.716 19.000 0.077 0.000 0.835 218 A HN 0.517 nan 8.150 nan 0.000 0.445 219 Y N 1.303 121.611 120.300 0.013 0.000 2.114 219 Y HA -0.292 4.258 4.550 -0.000 0.000 0.282 219 Y C 2.314 178.224 175.900 0.017 0.000 1.165 219 Y CA 2.534 60.642 58.100 0.015 0.000 1.148 219 Y CB -0.382 38.087 38.460 0.015 0.000 0.972 219 Y HN 0.542 nan 8.280 nan 0.000 0.504 220 E N -0.087 120.126 120.200 0.022 0.000 2.051 220 E HA -0.246 4.104 4.350 -0.000 0.000 0.192 220 E C 2.390 178.932 176.600 -0.096 0.000 0.991 220 E CA 1.199 57.548 56.400 -0.085 0.000 0.799 220 E CB -0.378 29.342 29.700 0.033 0.000 0.748 220 E HN 0.455 nan 8.360 nan 0.000 0.449 221 R N 0.849 121.329 120.500 -0.034 0.000 2.070 221 R HA -0.122 4.218 4.340 -0.000 0.000 0.233 221 R C 2.430 178.701 176.300 -0.048 0.000 1.137 221 R CA 1.570 57.654 56.100 -0.028 0.000 0.945 221 R CB -0.185 30.113 30.300 -0.002 0.000 0.845 221 R HN 0.148 nan 8.270 nan 0.000 0.430 222 M N -0.286 119.283 119.600 -0.052 0.000 2.192 222 M HA -0.273 4.206 4.480 -0.000 0.000 0.259 222 M C 2.358 178.604 176.300 -0.091 0.000 1.071 222 M CA 1.469 56.736 55.300 -0.055 0.000 1.082 222 M CB -0.220 32.357 32.600 -0.039 0.000 1.373 222 M HN 0.361 nan 8.290 nan 0.000 0.408 223 C N -0.482 118.719 119.300 -0.164 0.000 2.485 223 C HA 0.004 4.464 4.460 -0.000 0.000 0.278 223 C C 2.210 177.166 174.990 -0.057 0.000 1.356 223 C CA 0.419 59.347 59.018 -0.150 0.000 1.747 223 C CB -1.409 26.163 27.740 -0.281 0.000 2.001 223 C HN 0.557 nan 8.230 nan 0.000 0.501 224 N N 1.557 120.224 118.700 -0.054 0.000 2.142 224 N HA -0.011 4.729 4.740 -0.000 0.000 0.186 224 N C 1.489 177.000 175.510 0.002 0.000 1.023 224 N CA 1.107 54.146 53.050 -0.018 0.000 0.852 224 N CB -0.322 38.155 38.487 -0.018 0.000 0.998 224 N HN 0.452 nan 8.380 nan 0.000 0.424 225 I N 0.487 121.051 120.570 -0.011 0.000 2.127 225 I HA -0.259 3.911 4.170 -0.000 0.000 0.241 225 I C 2.277 178.388 176.117 -0.009 0.000 1.075 225 I CA 0.800 62.091 61.300 -0.015 0.000 1.334 225 I CB -0.334 37.651 38.000 -0.024 0.000 1.040 225 I HN 0.239 nan 8.210 nan 0.000 0.405 226 L N 1.452 122.679 121.223 0.006 0.000 1.997 226 L HA -0.310 4.029 4.340 -0.000 0.000 0.216 226 L C 2.510 179.491 176.870 0.184 0.000 1.074 226 L CA 2.203 57.077 54.840 0.057 0.000 0.763 226 L CB -0.871 41.243 42.059 0.092 0.000 0.890 226 L HN 0.341 nan 8.230 nan 0.000 0.434 227 K N -0.700 119.827 120.400 0.212 0.000 2.211 227 K HA -0.110 4.209 4.320 -0.000 0.000 0.203 227 K C 1.745 178.499 176.600 0.256 0.000 1.050 227 K CA 1.186 57.673 56.287 0.333 0.000 0.945 227 K CB -0.244 32.329 32.500 0.122 0.000 0.732 227 K HN 0.487 nan 8.250 nan 0.000 0.451 228 G N 0.835 109.692 108.800 0.095 0.000 2.744 228 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.211 228 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.211 228 G C 1.212 176.097 174.900 -0.025 0.000 1.143 228 G CA 0.025 45.146 45.100 0.035 0.000 0.788 228 G HN 0.142 nan 8.290 nan 0.000 0.534 229 K N 0.306 120.641 120.400 -0.109 0.000 2.044 229 K HA 0.076 4.396 4.320 -0.000 0.000 0.204 229 K C 0.516 176.926 176.600 -0.317 0.000 1.049 229 K CA 0.029 56.140 56.287 -0.292 0.000 0.945 229 K CB -0.393 31.802 32.500 -0.508 0.000 0.724 229 K HN 0.352 nan 8.250 nan 0.000 0.440 230 F N 1.992 121.917 119.950 -0.041 0.000 2.553 230 F HA -0.007 4.520 4.527 -0.000 0.000 0.356 230 F C 1.489 177.267 175.800 -0.036 0.000 1.142 230 F CA 0.388 58.364 58.000 -0.041 0.000 1.322 230 F CB 0.353 39.330 39.000 -0.038 0.000 1.126 230 F HN -0.089 nan 8.300 nan 0.000 0.599 231 Q N 1.885 121.762 119.800 0.128 0.000 2.144 231 Q HA 0.176 4.516 4.340 -0.000 0.000 0.305 231 Q C -0.841 175.188 176.000 0.049 0.000 0.876 231 Q CA -0.083 55.754 55.803 0.055 0.000 1.130 231 Q CB 1.045 29.783 28.738 -0.000 0.000 1.267 231 Q HN 0.851 nan 8.270 nan 0.000 0.433 232 T N -4.457 110.142 114.554 0.075 0.000 2.956 232 T HA 0.666 5.016 4.350 -0.000 0.000 0.312 232 T C 0.993 175.708 174.700 0.026 0.000 1.151 232 T CA -0.118 62.006 62.100 0.040 0.000 1.024 232 T CB 1.839 70.728 68.868 0.036 0.000 1.140 232 T HN 0.001 nan 8.240 nan 0.000 0.473 233 A N 2.651 125.477 122.820 0.011 0.000 1.941 233 A HA -0.077 4.243 4.320 -0.000 0.000 0.220 233 A C 2.606 180.181 177.584 -0.015 0.000 1.407 233 A CA 3.356 55.393 52.037 -0.000 0.000 0.766 233 A CB -1.680 17.320 19.000 -0.001 0.000 0.838 233 A HN 1.788 nan 8.150 nan 0.000 0.482 234 A N -2.106 120.706 122.820 -0.015 0.000 1.884 234 A HA -0.284 4.035 4.320 -0.000 0.000 0.219 234 A C 2.128 179.665 177.584 -0.078 0.000 1.197 234 A CA 2.186 54.207 52.037 -0.026 0.000 0.637 234 A CB -0.774 18.227 19.000 0.001 0.000 0.827 234 A HN 0.673 nan 8.150 nan 0.000 0.450 235 Q N -0.505 119.239 119.800 -0.095 0.000 2.029 235 Q HA -0.270 4.069 4.340 -0.000 0.000 0.209 235 Q C 2.321 178.100 176.000 -0.369 0.000 0.999 235 Q CA 2.294 57.937 55.803 -0.267 0.000 0.857 235 Q CB -0.390 28.312 28.738 -0.060 0.000 0.926 235 Q HN 0.759 nan 8.270 nan 0.000 0.415 236 R N -0.373 120.046 120.500 -0.135 0.000 2.080 236 R HA -0.099 4.241 4.340 -0.000 0.000 0.236 236 R C 2.479 178.716 176.300 -0.104 0.000 1.137 236 R CA 1.839 57.894 56.100 -0.076 0.000 0.943 236 R CB -0.693 29.610 30.300 0.005 0.000 0.846 236 R HN 0.206 nan 8.270 nan 0.000 0.431 237 T N 0.954 115.459 114.554 -0.081 0.000 2.788 237 T HA -0.111 4.238 4.350 -0.000 0.000 0.268 237 T C 1.690 176.343 174.700 -0.079 0.000 1.044 237 T CA 1.159 63.222 62.100 -0.061 0.000 1.139 237 T CB -0.081 68.764 68.868 -0.038 0.000 0.867 237 T HN 0.197 nan 8.240 nan 0.000 0.454 238 M N 0.728 120.259 119.600 -0.114 0.000 2.476 238 M HA -0.040 4.440 4.480 -0.000 0.000 0.262 238 M C 1.804 178.035 176.300 -0.115 0.000 1.079 238 M CA 0.835 56.077 55.300 -0.097 0.000 1.104 238 M CB -0.047 32.510 32.600 -0.072 0.000 1.409 238 M HN 0.109 nan 8.290 nan 0.000 0.467 239 V N -0.274 119.534 119.914 -0.178 0.000 2.453 239 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 239 V C 1.806 177.852 176.094 -0.081 0.000 1.048 239 V CA 1.599 63.806 62.300 -0.156 0.000 1.049 239 V CB -0.722 30.999 31.823 -0.170 0.000 0.672 239 V HN 0.417 nan 8.190 nan 0.000 0.457 240 D N 0.131 120.492 120.400 -0.065 0.000 2.097 240 D HA -0.197 4.443 4.640 -0.000 0.000 0.195 240 D C 2.315 178.605 176.300 -0.017 0.000 0.989 240 D CA 1.410 55.389 54.000 -0.035 0.000 0.827 240 D CB -0.155 40.629 40.800 -0.027 0.000 0.966 240 D HN 0.529 nan 8.370 nan 0.000 0.456 241 Q N 0.219 120.007 119.800 -0.021 0.000 2.308 241 Q HA -0.113 4.227 4.340 -0.000 0.000 0.209 241 Q C 2.288 178.297 176.000 0.015 0.000 0.985 241 Q CA 0.715 56.515 55.803 -0.005 0.000 0.881 241 Q CB 0.161 28.890 28.738 -0.016 0.000 0.917 241 Q HN 0.206 nan 8.270 nan 0.000 0.443 242 V N 0.439 120.361 119.914 0.013 0.000 2.446 242 V HA -0.142 3.977 4.120 -0.000 0.000 0.244 242 V C 2.097 178.250 176.094 0.100 0.000 1.039 242 V CA 1.260 63.591 62.300 0.051 0.000 1.045 242 V CB -0.454 31.386 31.823 0.028 0.000 0.681 242 V HN 0.273 nan 8.190 nan 0.000 0.459 243 R N 0.255 120.773 120.500 0.030 0.000 2.357 243 R HA -0.151 4.189 4.340 -0.000 0.000 0.202 243 R C 1.901 178.289 176.300 0.146 0.000 1.047 243 R CA 0.794 56.918 56.100 0.041 0.000 1.034 243 R CB 0.024 30.282 30.300 -0.070 0.000 0.875 243 R HN 0.475 nan 8.270 nan 0.000 0.473 244 E N 0.234 120.499 120.200 0.109 0.000 2.158 244 E HA -0.027 4.323 4.350 -0.000 0.000 0.191 244 E C 0.005 176.662 176.600 0.095 0.000 0.982 244 E CA 0.479 56.931 56.400 0.085 0.000 0.823 244 E CB 0.147 29.876 29.700 0.048 0.000 0.766 244 E HN 0.117 nan 8.360 nan 0.000 0.468 245 S N 0.314 116.083 115.700 0.115 0.000 2.489 245 S HA 0.155 4.625 4.470 -0.000 0.000 0.277 245 S C 0.967 175.572 174.600 0.008 0.000 1.230 245 S CA -0.681 57.554 58.200 0.059 0.000 1.053 245 S CB 1.031 64.259 63.200 0.047 0.000 0.955 245 S HN 0.169 nan 8.310 nan 0.000 0.488 246 R N 3.927 124.412 120.500 -0.025 0.000 2.066 246 R HA -0.006 4.333 4.340 -0.000 0.000 0.232 246 R C 0.015 176.220 176.300 -0.158 0.000 1.131 246 R CA 1.481 57.533 56.100 -0.080 0.000 0.955 246 R CB -0.679 29.596 30.300 -0.042 0.000 0.851 246 R HN 0.698 nan 8.270 nan 0.000 0.432 247 N N 1.716 120.354 118.700 -0.103 0.000 3.114 247 N HA 0.209 4.949 4.740 -0.000 0.000 0.289 247 N C -2.571 172.893 175.510 -0.077 0.000 1.519 247 N CA -1.851 51.136 53.050 -0.104 0.000 1.026 247 N CB 1.013 39.464 38.487 -0.060 0.000 1.306 247 N HN 0.089 nan 8.380 nan 0.000 0.495 248 P HA 0.162 nan 4.420 nan 0.000 0.269 248 P C 0.386 177.704 177.300 0.030 0.000 1.252 248 P CA 0.090 63.185 63.100 -0.008 0.000 0.780 248 P CB 0.881 32.604 31.700 0.037 0.000 0.829 249 G N 3.521 112.345 108.800 0.039 0.000 2.574 249 G HA2 0.038 3.998 3.960 -0.000 0.000 0.248 249 G HA3 0.038 3.998 3.960 -0.000 0.000 0.248 249 G C 0.991 175.947 174.900 0.094 0.000 1.422 249 G CA -0.548 44.581 45.100 0.048 0.000 1.051 249 G HN 0.263 nan 8.290 nan 0.000 0.560 250 N N 0.024 118.744 118.700 0.034 0.000 2.314 250 N HA -0.200 4.540 4.740 -0.000 0.000 0.191 250 N C 2.279 177.831 175.510 0.069 0.000 1.007 250 N CA 1.574 54.620 53.050 -0.006 0.000 0.883 250 N CB -0.186 38.195 38.487 -0.175 0.000 0.969 250 N HN 0.515 nan 8.380 nan 0.000 0.441 251 A N 0.558 123.409 122.820 0.052 0.000 1.873 251 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 251 A C 2.148 179.788 177.584 0.094 0.000 1.193 251 A CA 1.873 53.941 52.037 0.052 0.000 0.629 251 A CB -0.567 18.453 19.000 0.034 0.000 0.826 251 A HN 0.253 nan 8.150 nan 0.000 0.447 252 E N -1.316 118.960 120.200 0.127 0.000 2.021 252 E HA 0.014 4.364 4.350 -0.000 0.000 0.189 252 E C 1.681 178.405 176.600 0.207 0.000 0.980 252 E CA 0.914 57.405 56.400 0.151 0.000 0.803 252 E CB -0.488 29.311 29.700 0.165 0.000 0.766 252 E HN 0.581 nan 8.360 nan 0.000 0.449 253 F N 1.842 121.825 119.950 0.055 0.000 2.063 253 F HA -0.397 4.130 4.527 -0.000 0.000 0.296 253 F C 2.326 178.157 175.800 0.052 0.000 1.093 253 F CA 1.990 60.020 58.000 0.050 0.000 1.229 253 F CB 0.099 39.119 39.000 0.034 0.000 0.971 253 F HN 0.077 nan 8.300 nan 0.000 0.491 254 E N 0.209 120.718 120.200 0.513 0.000 2.106 254 E HA -0.257 4.093 4.350 -0.000 0.000 0.192 254 E C 1.894 178.620 176.600 0.210 0.000 0.984 254 E CA 1.431 58.033 56.400 0.337 0.000 0.806 254 E CB -0.549 29.262 29.700 0.184 0.000 0.750 254 E HN 0.622 nan 8.360 nan 0.000 0.458 255 D N 0.097 120.596 120.400 0.165 0.000 2.149 255 D HA -0.100 4.540 4.640 -0.000 0.000 0.201 255 D C 2.254 178.678 176.300 0.206 0.000 0.972 255 D CA 0.465 54.554 54.000 0.149 0.000 0.835 255 D CB 0.152 41.001 40.800 0.082 0.000 0.966 255 D HN 0.218 nan 8.370 nan 0.000 0.476 256 L N 0.721 122.026 121.223 0.137 0.000 2.109 256 L HA -0.103 4.236 4.340 -0.000 0.000 0.207 256 L C 2.694 179.617 176.870 0.089 0.000 1.086 256 L CA 0.419 55.318 54.840 0.098 0.000 0.760 256 L CB -0.274 41.816 42.059 0.052 0.000 0.910 256 L HN 0.070 nan 8.230 nan 0.000 0.437 257 I N -0.441 120.175 120.570 0.076 0.000 2.194 257 I HA -0.377 3.793 4.170 -0.000 0.000 0.246 257 I C 2.566 178.742 176.117 0.097 0.000 1.093 257 I CA 1.622 62.956 61.300 0.056 0.000 1.355 257 I CB -0.407 37.637 38.000 0.073 0.000 1.046 257 I HN 0.216 nan 8.210 nan 0.000 0.413 258 F N 1.712 121.678 119.950 0.026 0.000 2.025 258 F HA -0.296 4.230 4.527 -0.000 0.000 0.297 258 F C 2.241 178.056 175.800 0.026 0.000 1.132 258 F CA 1.732 59.746 58.000 0.022 0.000 1.191 258 F CB -0.657 38.352 39.000 0.014 0.000 0.963 258 F HN -0.104 nan 8.300 nan 0.000 0.481 259 L N 0.957 122.064 121.223 -0.192 0.000 2.081 259 L HA -0.174 4.165 4.340 -0.000 0.000 0.212 259 L C 2.611 179.450 176.870 -0.052 0.000 1.080 259 L CA 1.954 56.669 54.840 -0.208 0.000 0.754 259 L CB -1.656 40.371 42.059 -0.053 0.000 0.893 259 L HN 0.353 nan 8.230 nan 0.000 0.433 260 A N -0.658 122.153 122.820 -0.016 0.000 1.892 260 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 260 A C 2.406 179.940 177.584 -0.083 0.000 1.188 260 A CA 2.017 54.040 52.037 -0.023 0.000 0.631 260 A CB -0.529 18.452 19.000 -0.031 0.000 0.822 260 A HN 0.484 nan 8.150 nan 0.000 0.447 261 R N 0.128 120.549 120.500 -0.132 0.000 2.189 261 R HA -0.072 4.268 4.340 -0.000 0.000 0.218 261 R C 2.435 178.617 176.300 -0.196 0.000 1.074 261 R CA 1.299 57.313 56.100 -0.143 0.000 0.991 261 R CB -0.346 29.888 30.300 -0.110 0.000 0.883 261 R HN 0.748 nan 8.270 nan 0.000 0.457 262 S N 0.524 116.038 115.700 -0.310 0.000 2.423 262 S HA -0.038 4.432 4.470 -0.000 0.000 0.231 262 S C 2.079 176.623 174.600 -0.093 0.000 1.014 262 S CA 0.851 58.889 58.200 -0.270 0.000 0.965 262 S CB 0.083 63.047 63.200 -0.394 0.000 0.785 262 S HN 0.323 nan 8.310 nan 0.000 0.495 263 A N 1.441 124.230 122.820 -0.051 0.000 2.119 263 A HA 0.385 4.705 4.320 -0.000 0.000 0.216 263 A C 2.082 179.628 177.584 -0.063 0.000 1.152 263 A CA 0.398 52.411 52.037 -0.040 0.000 0.708 263 A CB -0.621 18.333 19.000 -0.078 0.000 0.805 263 A HN 0.543 nan 8.150 nan 0.000 0.460 264 L N -0.600 120.580 121.223 -0.072 0.000 2.362 264 L HA -0.082 4.258 4.340 -0.000 0.000 0.219 264 L C 1.758 178.603 176.870 -0.042 0.000 1.134 264 L CA 0.651 55.452 54.840 -0.066 0.000 0.807 264 L CB -0.217 41.801 42.059 -0.069 0.000 0.927 264 L HN 0.386 nan 8.230 nan 0.000 0.447 265 I N -1.421 119.126 120.570 -0.038 0.000 3.873 265 I HA 0.078 4.247 4.170 -0.000 0.000 0.284 265 I C 0.761 176.869 176.117 -0.016 0.000 1.186 265 I CA 0.499 61.787 61.300 -0.021 0.000 1.362 265 I CB 0.366 38.353 38.000 -0.021 0.000 1.432 265 I HN -0.008 nan 8.210 nan 0.000 0.454 266 L N 4.225 125.438 121.223 -0.017 0.000 2.360 266 L HA 0.345 4.684 4.340 -0.000 0.000 0.265 266 L C 0.231 177.100 176.870 -0.002 0.000 1.066 266 L CA -0.436 54.403 54.840 -0.003 0.000 0.929 266 L CB 0.289 42.357 42.059 0.015 0.000 1.306 266 L HN 0.110 nan 8.230 nan 0.000 0.434 267 R N 1.196 121.682 120.500 -0.023 0.000 2.726 267 R HA 0.502 4.842 4.340 -0.000 0.000 0.272 267 R C 0.477 176.733 176.300 -0.074 0.000 1.097 267 R CA -0.303 55.769 56.100 -0.047 0.000 1.198 267 R CB 0.437 30.724 30.300 -0.021 0.000 1.114 267 R HN 0.507 nan 8.270 nan 0.000 0.550 268 G N -0.402 108.311 108.800 -0.146 0.000 2.753 268 G HA2 0.294 4.254 3.960 -0.000 0.000 0.285 268 G HA3 0.294 4.254 3.960 -0.000 0.000 0.285 268 G C -0.942 173.881 174.900 -0.128 0.000 1.344 268 G CA -0.718 44.268 45.100 -0.190 0.000 1.050 268 G HN 0.406 nan 8.290 nan 0.000 0.532 269 S N -0.488 115.134 115.700 -0.131 0.000 2.411 269 S HA 0.465 4.935 4.470 -0.000 0.000 0.294 269 S C -0.454 174.071 174.600 -0.126 0.000 1.115 269 S CA -0.344 57.800 58.200 -0.093 0.000 1.071 269 S CB 1.082 64.241 63.200 -0.069 0.000 0.967 269 S HN 0.418 nan 8.310 nan 0.000 0.488 270 V N 3.087 122.917 119.914 -0.140 0.000 2.447 270 V HA 0.539 4.659 4.120 -0.000 0.000 0.292 270 V C 0.377 176.256 176.094 -0.358 0.000 1.021 270 V CA -1.042 61.129 62.300 -0.214 0.000 0.850 270 V CB 1.314 33.014 31.823 -0.204 0.000 1.005 270 V HN 0.966 nan 8.190 nan 0.000 0.426 271 A N 4.712 127.381 122.820 -0.251 0.000 2.531 271 A HA 0.394 4.714 4.320 -0.000 0.000 0.236 271 A C -0.060 177.315 177.584 -0.348 0.000 1.062 271 A CA 0.277 52.180 52.037 -0.225 0.000 0.760 271 A CB -0.086 18.860 19.000 -0.091 0.000 0.995 271 A HN 0.849 nan 8.150 nan 0.000 0.501 272 H N 2.136 121.232 119.070 0.043 0.000 2.489 272 H HA 0.417 4.973 4.556 -0.000 0.000 0.343 272 H C -0.634 174.721 175.328 0.044 0.000 1.086 272 H CA -0.671 55.404 56.048 0.046 0.000 1.198 272 H CB 1.603 31.396 29.762 0.052 0.000 1.490 272 H HN 0.499 nan 8.280 nan 0.000 0.504 273 K N 2.109 122.604 120.400 0.159 0.000 2.358 273 K HA 0.264 4.584 4.320 -0.000 0.000 0.260 273 K C -0.192 176.468 176.600 0.099 0.000 0.956 273 K CA -0.626 55.725 56.287 0.107 0.000 0.834 273 K CB 2.123 34.670 32.500 0.078 0.000 1.102 273 K HN 0.405 nan 8.250 nan 0.000 0.431 274 S N 2.155 117.929 115.700 0.122 0.000 2.700 274 S HA 0.098 4.567 4.470 -0.000 0.000 0.321 274 S C -0.133 174.522 174.600 0.092 0.000 1.161 274 S CA -0.397 57.883 58.200 0.133 0.000 1.078 274 S CB -0.622 62.740 63.200 0.270 0.000 1.302 274 S HN 0.421 nan 8.310 nan 0.000 0.540 275 C N 5.597 124.893 119.300 -0.007 0.000 2.239 275 C HA 0.470 4.930 4.460 -0.000 0.000 0.323 275 C C 0.575 175.465 174.990 -0.167 0.000 1.205 275 C CA -1.145 57.814 59.018 -0.098 0.000 1.584 275 C CB -1.153 26.392 27.740 -0.325 0.000 2.201 275 C HN 0.702 nan 8.230 nan 0.000 0.475 276 L N 4.213 125.262 121.223 -0.290 0.000 2.421 276 L HA 0.418 4.757 4.340 -0.000 0.000 0.263 276 L C -2.105 173.957 176.870 -1.346 0.000 1.122 276 L CA -1.681 52.657 54.840 -0.836 0.000 0.804 276 L CB 0.258 41.828 42.059 -0.815 0.000 1.150 276 L HN 0.238 nan 8.230 nan 0.000 0.457 277 P HA -0.015 nan 4.420 nan 0.000 0.268 277 P C 0.100 176.770 177.300 -1.049 0.000 1.208 277 P CA 0.039 62.175 63.100 -1.606 0.000 0.777 277 P CB 0.688 31.690 31.700 -1.163 0.000 0.875 278 A N 2.282 124.684 122.820 -0.697 0.000 1.948 278 A HA -0.273 4.046 4.320 -0.000 0.000 0.220 278 A C 2.181 179.256 177.584 -0.849 0.000 1.177 278 A CA 2.264 53.979 52.037 -0.537 0.000 0.636 278 A CB -1.973 16.839 19.000 -0.314 0.000 0.815 278 A HN 0.789 nan 8.150 nan 0.000 0.449 279 C N -2.027 116.639 119.300 -1.058 0.000 2.422 279 C HA 0.021 4.480 4.460 -0.000 0.000 0.279 279 C C 2.346 177.093 174.990 -0.405 0.000 1.305 279 C CA 0.769 59.273 59.018 -0.857 0.000 1.757 279 C CB -1.663 25.795 27.740 -0.471 0.000 1.962 279 C HN 0.315 nan 8.230 nan 0.000 0.499 280 V N 0.469 120.078 119.914 -0.509 0.000 2.307 280 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 280 V C 2.506 178.479 176.094 -0.201 0.000 1.045 280 V CA 2.320 64.385 62.300 -0.392 0.000 1.024 280 V CB -1.019 30.462 31.823 -0.570 0.000 0.651 280 V HN 0.633 nan 8.190 nan 0.000 0.449 281 Y N 0.884 121.044 120.300 -0.233 0.000 2.145 281 Y HA -0.137 4.413 4.550 -0.000 0.000 0.286 281 Y C 2.685 178.560 175.900 -0.042 0.000 1.145 281 Y CA 0.733 58.716 58.100 -0.194 0.000 1.148 281 Y CB -0.890 37.422 38.460 -0.248 0.000 0.981 281 Y HN 0.334 nan 8.280 nan 0.000 0.507 282 G N -0.534 108.350 108.800 0.140 0.000 2.491 282 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.218 282 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.218 282 G C 1.870 176.883 174.900 0.187 0.000 1.180 282 G CA 1.390 46.628 45.100 0.230 0.000 0.774 282 G HN 0.389 nan 8.290 nan 0.000 0.562 283 S N 0.672 116.453 115.700 0.134 0.000 2.368 283 S HA 0.013 4.482 4.470 -0.000 0.000 0.225 283 S C 2.733 177.422 174.600 0.149 0.000 1.030 283 S CA 1.696 59.964 58.200 0.114 0.000 0.999 283 S CB -0.496 62.734 63.200 0.051 0.000 0.844 283 S HN 0.613 nan 8.310 nan 0.000 0.459 284 A N 0.723 123.663 122.820 0.199 0.000 1.902 284 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 284 A C 2.332 180.128 177.584 0.353 0.000 1.181 284 A CA 1.793 54.035 52.037 0.342 0.000 0.623 284 A CB -1.035 18.191 19.000 0.377 0.000 0.818 284 A HN 0.451 nan 8.150 nan 0.000 0.443 285 V N -0.145 119.951 119.914 0.303 0.000 2.343 285 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 285 V C 3.026 179.187 176.094 0.111 0.000 1.051 285 V CA 1.927 64.358 62.300 0.218 0.000 1.036 285 V CB -1.193 30.742 31.823 0.187 0.000 0.654 285 V HN 0.611 nan 8.190 nan 0.000 0.451 286 A N -0.500 122.384 122.820 0.106 0.000 1.969 286 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 286 A C 2.246 179.843 177.584 0.022 0.000 1.169 286 A CA 1.833 53.905 52.037 0.058 0.000 0.635 286 A CB -0.486 18.553 19.000 0.067 0.000 0.810 286 A HN 0.512 nan 8.150 nan 0.000 0.445 287 S N -1.316 114.402 115.700 0.030 0.000 2.720 287 S HA 0.348 4.818 4.470 -0.000 0.000 0.222 287 S C 1.463 175.950 174.600 -0.188 0.000 0.958 287 S CA 0.868 59.037 58.200 -0.053 0.000 0.943 287 S CB -0.143 63.051 63.200 -0.009 0.000 0.779 287 S HN 1.452 nan 8.310 nan 0.000 0.526 288 G N 0.430 109.148 108.800 -0.137 0.000 2.279 288 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.223 288 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.223 288 G C -0.051 174.703 174.900 -0.244 0.000 1.015 288 G CA -0.551 44.428 45.100 -0.201 0.000 0.621 288 G HN 0.482 nan 8.290 nan 0.000 0.506 289 Y N 2.350 122.511 120.300 -0.233 0.000 2.729 289 Y HA 0.357 4.907 4.550 -0.000 0.000 0.331 289 Y C 0.718 176.318 175.900 -0.499 0.000 1.208 289 Y CA 0.556 58.363 58.100 -0.488 0.000 1.521 289 Y CB 0.607 38.553 38.460 -0.856 0.000 1.233 289 Y HN 0.110 nan 8.280 nan 0.000 0.539 290 D N 4.640 124.889 120.400 -0.252 0.000 2.483 290 D HA 0.103 4.743 4.640 -0.000 0.000 0.281 290 D C 0.390 176.629 176.300 -0.102 0.000 1.174 290 D CA -0.078 53.846 54.000 -0.127 0.000 0.938 290 D CB -0.025 40.729 40.800 -0.077 0.000 1.002 290 D HN 0.465 nan 8.370 nan 0.000 0.501 291 F N 1.092 121.018 119.950 -0.039 0.000 2.095 291 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 291 F C 2.504 178.279 175.800 -0.041 0.000 1.104 291 F CA 1.010 58.968 58.000 -0.070 0.000 1.232 291 F CB -0.216 38.666 39.000 -0.196 0.000 0.987 291 F HN 0.332 nan 8.300 nan 0.000 0.475 292 E N 0.308 120.594 120.200 0.145 0.000 2.233 292 E HA -0.295 4.055 4.350 -0.000 0.000 0.199 292 E C 2.308 178.932 176.600 0.040 0.000 1.004 292 E CA 1.457 57.894 56.400 0.062 0.000 0.819 292 E CB -0.057 29.656 29.700 0.023 0.000 0.738 292 E HN 0.373 nan 8.360 nan 0.000 0.478 293 R N -0.368 120.148 120.500 0.027 0.000 2.105 293 R HA 0.021 4.360 4.340 -0.000 0.000 0.214 293 R C 1.608 177.915 176.300 0.011 0.000 1.091 293 R CA 1.134 57.239 56.100 0.008 0.000 1.007 293 R CB 0.321 30.614 30.300 -0.012 0.000 0.912 293 R HN 0.152 nan 8.270 nan 0.000 0.450 294 E N -0.378 119.828 120.200 0.010 0.000 2.479 294 E HA 0.183 4.533 4.350 -0.000 0.000 0.193 294 E C 0.164 176.800 176.600 0.060 0.000 1.049 294 E CA 0.240 56.648 56.400 0.014 0.000 0.870 294 E CB 0.802 30.489 29.700 -0.020 0.000 0.944 294 E HN 0.390 nan 8.360 nan 0.000 0.492 295 G N 1.427 110.287 108.800 0.100 0.000 2.728 295 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.686 295 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.686 295 G C -1.257 173.798 174.900 0.258 0.000 1.337 295 G CA -0.415 44.761 45.100 0.127 0.000 0.861 295 G HN 0.159 nan 8.290 nan 0.000 0.597 296 Y N 0.987 121.305 120.300 0.031 0.000 2.581 296 Y HA 0.719 5.269 4.550 -0.000 0.000 0.337 296 Y C 0.211 176.076 175.900 -0.058 0.000 1.108 296 Y CA -0.355 57.748 58.100 0.004 0.000 1.033 296 Y CB 1.916 40.352 38.460 -0.041 0.000 1.318 296 Y HN 1.620 nan 8.280 nan 0.000 0.459 297 S N 2.484 117.717 115.700 -0.777 0.000 2.667 297 S HA 0.644 5.114 4.470 -0.000 0.000 0.292 297 S C -1.051 173.130 174.600 -0.699 0.000 1.126 297 S CA -0.795 57.078 58.200 -0.545 0.000 0.881 297 S CB 2.034 65.042 63.200 -0.321 0.000 1.132 297 S HN 0.442 nan 8.310 nan 0.000 0.492 298 L N 0.815 121.854 121.223 -0.307 0.000 2.766 298 L HA 0.342 4.681 4.340 -0.000 0.000 0.242 298 L C 1.168 178.009 176.870 -0.050 0.000 1.136 298 L CA 0.289 55.049 54.840 -0.134 0.000 0.933 298 L CB 0.808 42.880 42.059 0.021 0.000 1.241 298 L HN 0.838 nan 8.230 nan 0.000 0.522 299 V N -4.907 114.958 119.914 -0.080 0.000 3.337 299 V HA 0.719 4.839 4.120 -0.000 0.000 0.307 299 V C 0.694 176.770 176.094 -0.030 0.000 1.505 299 V CA 0.279 62.569 62.300 -0.017 0.000 1.072 299 V CB 0.050 31.879 31.823 0.009 0.000 0.929 299 V HN 0.084 nan 8.190 nan 0.000 0.455 300 G N -0.005 108.721 108.800 -0.124 0.000 2.940 300 G HA2 0.486 4.446 3.960 -0.000 0.000 0.164 300 G HA3 0.486 4.446 3.960 -0.000 0.000 0.164 300 G C 0.475 175.103 174.900 -0.453 0.000 1.326 300 G CA -0.048 44.959 45.100 -0.155 0.000 1.020 300 G HN 0.171 nan 8.290 nan 0.000 0.586 301 I N 0.042 120.051 120.570 -0.934 0.000 3.251 301 I HA 0.009 4.178 4.170 -0.000 0.000 0.277 301 I C 1.420 177.176 176.117 -0.602 0.000 1.268 301 I CA 0.453 60.895 61.300 -1.430 0.000 1.449 301 I CB -0.031 36.864 38.000 -1.842 0.000 1.083 301 I HN 0.294 nan 8.210 nan 0.000 0.464 302 D N 1.803 121.970 120.400 -0.388 0.000 2.092 302 D HA -0.150 4.489 4.640 -0.000 0.000 0.193 302 D C -0.571 175.765 176.300 0.060 0.000 0.994 302 D CA 1.578 55.490 54.000 -0.147 0.000 0.828 302 D CB -1.620 38.998 40.800 -0.302 0.000 0.963 302 D HN 0.327 nan 8.370 nan 0.000 0.450 303 P HA -0.086 nan 4.420 nan 0.000 0.215 303 P C 1.479 178.970 177.300 0.318 0.000 1.157 303 P CA 0.777 64.021 63.100 0.241 0.000 0.863 303 P CB -0.124 31.709 31.700 0.222 0.000 0.787 304 F N -0.005 119.925 119.950 -0.033 0.000 2.095 304 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 304 F C 2.460 178.242 175.800 -0.030 0.000 1.104 304 F CA 1.214 59.209 58.000 -0.009 0.000 1.232 304 F CB -1.239 37.722 39.000 -0.066 0.000 0.987 304 F HN -0.173 nan 8.300 nan 0.000 0.475 305 R N -0.370 120.187 120.500 0.095 0.000 2.091 305 R HA -0.192 4.148 4.340 -0.000 0.000 0.238 305 R C 2.188 178.505 176.300 0.029 0.000 1.136 305 R CA 1.325 57.437 56.100 0.020 0.000 0.959 305 R CB -0.919 29.351 30.300 -0.050 0.000 0.856 305 R HN 0.213 nan 8.270 nan 0.000 0.437 306 L N 1.149 122.405 121.223 0.056 0.000 2.012 306 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 306 L C 1.912 178.783 176.870 0.002 0.000 1.073 306 L CA 1.686 56.537 54.840 0.018 0.000 0.748 306 L CB -0.386 41.730 42.059 0.095 0.000 0.891 306 L HN 0.181 nan 8.230 nan 0.000 0.431 307 L N -0.607 120.625 121.223 0.014 0.000 2.633 307 L HA -0.117 4.223 4.340 -0.000 0.000 0.235 307 L C 1.921 178.781 176.870 -0.017 0.000 1.163 307 L CA 0.185 55.005 54.840 -0.033 0.000 0.859 307 L CB -0.429 41.603 42.059 -0.044 0.000 0.973 307 L HN 0.411 nan 8.230 nan 0.000 0.451 308 Q N -0.317 119.487 119.800 0.007 0.000 2.451 308 Q HA -0.015 4.325 4.340 -0.000 0.000 0.206 308 Q C 0.590 176.590 176.000 0.001 0.000 0.947 308 Q CA 0.726 56.535 55.803 0.009 0.000 0.937 308 Q CB 0.185 28.938 28.738 0.025 0.000 1.025 308 Q HN 0.528 nan 8.270 nan 0.000 0.511 309 N N -0.859 117.840 118.700 -0.003 0.000 2.143 309 N HA -0.003 4.737 4.740 -0.000 0.000 0.229 309 N C -0.737 174.759 175.510 -0.022 0.000 1.294 309 N CA -0.033 53.019 53.050 0.004 0.000 0.883 309 N CB 0.921 39.435 38.487 0.045 0.000 1.148 309 N HN -0.022 nan 8.380 nan 0.000 0.511 310 S N 0.080 115.744 115.700 -0.060 0.000 2.564 310 S HA 0.230 4.700 4.470 -0.000 0.000 0.278 310 S C 0.226 174.728 174.600 -0.164 0.000 1.333 310 S CA -0.443 57.689 58.200 -0.112 0.000 1.048 310 S CB 1.653 64.761 63.200 -0.153 0.000 0.900 310 S HN 0.029 nan 8.310 nan 0.000 0.505 311 Q N 2.115 121.777 119.800 -0.230 0.000 2.788 311 Q HA 0.412 4.752 4.340 -0.000 0.000 0.285 311 Q C -1.378 174.190 176.000 -0.721 0.000 1.063 311 Q CA -0.409 55.158 55.803 -0.393 0.000 0.958 311 Q CB 0.176 28.759 28.738 -0.259 0.000 1.211 311 Q HN 0.655 nan 8.270 nan 0.000 0.478 312 V N 3.579 123.142 119.914 -0.585 0.000 2.439 312 V HA 0.424 4.544 4.120 -0.000 0.000 0.282 312 V C -0.373 175.353 176.094 -0.613 0.000 1.039 312 V CA -0.562 61.401 62.300 -0.562 0.000 0.913 312 V CB 0.411 32.036 31.823 -0.331 0.000 0.983 312 V HN 0.442 nan 8.190 nan 0.000 0.460 313 Y N 2.072 122.245 120.300 -0.212 0.000 2.457 313 Y HA 0.684 5.234 4.550 -0.000 0.000 0.333 313 Y C 0.561 176.351 175.900 -0.183 0.000 1.119 313 Y CA -0.560 57.413 58.100 -0.213 0.000 1.143 313 Y CB 2.000 40.206 38.460 -0.423 0.000 1.230 313 Y HN 0.568 nan 8.280 nan 0.000 0.469 314 S N 1.642 117.348 115.700 0.011 0.000 2.541 314 S HA 0.556 5.026 4.470 -0.000 0.000 0.280 314 S C -1.228 173.260 174.600 -0.187 0.000 1.112 314 S CA -0.752 57.388 58.200 -0.100 0.000 0.925 314 S CB 0.611 63.770 63.200 -0.069 0.000 1.067 314 S HN 0.617 nan 8.310 nan 0.000 0.479 315 L N 4.231 125.261 121.223 -0.321 0.000 2.456 315 L HA 0.484 4.824 4.340 -0.000 0.000 0.272 315 L C 0.009 176.744 176.870 -0.224 0.000 1.189 315 L CA -0.028 54.575 54.840 -0.396 0.000 0.846 315 L CB 0.590 42.326 42.059 -0.539 0.000 1.111 315 L HN 0.626 nan 8.230 nan 0.000 0.475 316 I N 3.087 123.551 120.570 -0.176 0.000 2.512 316 I HA 0.307 4.477 4.170 -0.000 0.000 0.287 316 I C -0.155 175.923 176.117 -0.065 0.000 1.069 316 I CA -0.559 60.686 61.300 -0.091 0.000 1.056 316 I CB 1.165 39.135 38.000 -0.050 0.000 1.229 316 I HN 0.608 nan 8.210 nan 0.000 0.429 317 R N 8.003 128.475 120.500 -0.046 0.000 2.734 317 R HA 0.153 4.493 4.340 -0.000 0.000 0.266 317 R C -1.475 174.818 176.300 -0.013 0.000 1.044 317 R CA -0.912 55.174 56.100 -0.024 0.000 1.128 317 R CB 0.158 30.451 30.300 -0.013 0.000 1.010 317 R HN 0.478 nan 8.270 nan 0.000 0.461 318 P HA -0.230 nan 4.420 nan 0.000 0.216 318 P C -0.043 177.254 177.300 -0.004 0.000 1.157 318 P CA 1.787 64.888 63.100 0.002 0.000 0.880 318 P CB 0.031 31.737 31.700 0.009 0.000 0.791 319 N N -0.951 117.744 118.700 -0.007 0.000 2.322 319 N HA 0.035 4.775 4.740 -0.000 0.000 0.194 319 N C 0.275 175.768 175.510 -0.029 0.000 1.126 319 N CA -0.199 52.841 53.050 -0.016 0.000 0.845 319 N CB 0.148 38.627 38.487 -0.013 0.000 0.976 319 N HN 0.383 nan 8.380 nan 0.000 0.475 320 E N 0.817 121.002 120.200 -0.025 0.000 2.318 320 E HA 0.092 4.442 4.350 -0.000 0.000 0.265 320 E C -0.667 175.906 176.600 -0.045 0.000 1.069 320 E CA -0.383 55.998 56.400 -0.033 0.000 0.893 320 E CB 1.128 30.819 29.700 -0.014 0.000 1.076 320 E HN 0.153 nan 8.360 nan 0.000 0.414 321 N N 2.078 120.737 118.700 -0.069 0.000 2.426 321 N HA 0.115 4.855 4.740 -0.000 0.000 0.257 321 N C -1.999 173.523 175.510 0.020 0.000 1.002 321 N CA -1.904 51.099 53.050 -0.079 0.000 0.942 321 N CB 1.063 39.375 38.487 -0.291 0.000 1.112 321 N HN 0.122 nan 8.380 nan 0.000 0.499 322 P HA -0.190 nan 4.420 nan 0.000 0.215 322 P C 0.830 178.170 177.300 0.065 0.000 1.157 322 P CA 1.273 64.397 63.100 0.040 0.000 0.874 322 P CB 0.180 31.899 31.700 0.033 0.000 0.790 323 A N -1.336 121.537 122.820 0.089 0.000 2.019 323 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 323 A C 1.949 179.595 177.584 0.104 0.000 1.164 323 A CA 1.769 53.858 52.037 0.087 0.000 0.644 323 A CB -1.594 17.471 19.000 0.109 0.000 0.805 323 A HN 0.225 nan 8.150 nan 0.000 0.449 324 H N -1.007 118.056 119.070 -0.012 0.000 2.403 324 H HA 0.036 4.592 4.556 -0.000 0.000 0.298 324 H C 2.042 177.372 175.328 0.003 0.000 1.059 324 H CA 1.624 57.671 56.048 -0.001 0.000 1.363 324 H CB 0.033 29.798 29.762 0.006 0.000 1.410 324 H HN 0.454 nan 8.280 nan 0.000 0.528 325 K N 0.386 120.856 120.400 0.116 0.000 2.002 325 K HA -0.072 4.248 4.320 -0.000 0.000 0.209 325 K C 2.254 178.874 176.600 0.032 0.000 1.048 325 K CA 1.683 58.003 56.287 0.055 0.000 0.930 325 K CB -0.339 32.178 32.500 0.030 0.000 0.714 325 K HN 0.075 nan 8.250 nan 0.000 0.438 326 S N 0.814 116.528 115.700 0.023 0.000 2.374 326 S HA -0.263 4.207 4.470 -0.000 0.000 0.227 326 S C 1.881 176.497 174.600 0.027 0.000 1.037 326 S CA 1.617 59.824 58.200 0.013 0.000 1.024 326 S CB -0.413 62.781 63.200 -0.009 0.000 0.861 326 S HN 0.490 nan 8.310 nan 0.000 0.456 327 Q N 0.500 120.292 119.800 -0.013 0.000 2.014 327 Q HA -0.218 4.121 4.340 -0.000 0.000 0.207 327 Q C 2.190 178.220 176.000 0.050 0.000 0.993 327 Q CA 1.681 57.465 55.803 -0.031 0.000 0.850 327 Q CB -0.346 28.325 28.738 -0.110 0.000 0.916 327 Q HN 0.426 nan 8.270 nan 0.000 0.417 328 L N 0.428 121.666 121.223 0.025 0.000 1.941 328 L HA -0.251 4.089 4.340 -0.000 0.000 0.224 328 L C 2.402 179.281 176.870 0.015 0.000 1.081 328 L CA 2.120 56.968 54.840 0.014 0.000 0.784 328 L CB -1.130 40.939 42.059 0.016 0.000 0.894 328 L HN 0.217 nan 8.230 nan 0.000 0.436 329 V N -1.096 118.839 119.914 0.036 0.000 2.277 329 V HA -0.389 3.731 4.120 -0.000 0.000 0.255 329 V C 2.174 178.283 176.094 0.026 0.000 1.074 329 V CA 2.509 64.845 62.300 0.059 0.000 1.058 329 V CB -1.285 30.572 31.823 0.057 0.000 0.656 329 V HN 0.836 nan 8.190 nan 0.000 0.449 330 W N 0.073 121.292 121.300 -0.136 0.000 2.350 330 W HA -0.211 4.449 4.660 -0.000 0.000 0.289 330 W C 2.359 178.769 176.519 -0.183 0.000 1.215 330 W CA 1.990 59.230 57.345 -0.174 0.000 1.236 330 W CB -0.173 29.211 29.460 -0.126 0.000 1.130 330 W HN 0.215 nan 8.180 nan 0.000 0.541 331 M N -0.266 119.352 119.600 0.030 0.000 2.349 331 M HA 0.022 4.502 4.480 -0.000 0.000 0.266 331 M C 2.246 178.367 176.300 -0.299 0.000 1.076 331 M CA 1.361 56.553 55.300 -0.180 0.000 1.126 331 M CB -0.566 31.904 32.600 -0.217 0.000 1.392 331 M HN 0.093 nan 8.290 nan 0.000 0.440 332 A N -0.462 122.236 122.820 -0.204 0.000 2.014 332 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 332 A C 2.108 179.611 177.584 -0.135 0.000 1.163 332 A CA 0.955 52.910 52.037 -0.135 0.000 0.652 332 A CB -0.964 18.002 19.000 -0.057 0.000 0.808 332 A HN 0.595 nan 8.150 nan 0.000 0.449 333 C N -1.096 117.970 119.300 -0.391 0.000 2.456 333 C HA 0.023 4.483 4.460 -0.000 0.000 0.279 333 C C 1.549 176.031 174.990 -0.848 0.000 1.427 333 C CA 1.042 59.655 59.018 -0.675 0.000 1.778 333 C CB -1.710 25.432 27.740 -0.996 0.000 1.842 333 C HN 0.790 nan 8.230 nan 0.000 0.531 334 H N -1.347 117.501 119.070 -0.370 0.000 3.078 334 H HA 0.175 4.731 4.556 -0.000 0.000 0.263 334 H C 0.850 176.053 175.328 -0.208 0.000 1.177 334 H CA 0.273 56.158 56.048 -0.270 0.000 1.128 334 H CB 0.102 29.645 29.762 -0.365 0.000 1.623 334 H HN 0.180 nan 8.280 nan 0.000 0.592 335 S N 0.538 116.155 115.700 -0.138 0.000 3.783 335 S HA -0.179 4.291 4.470 -0.000 0.000 0.360 335 S C 0.796 175.250 174.600 -0.242 0.000 1.006 335 S CA 0.413 58.540 58.200 -0.122 0.000 1.115 335 S CB -1.623 61.599 63.200 0.038 0.000 0.893 335 S HN 0.734 nan 8.310 nan 0.000 0.475 336 A N -0.762 121.896 122.820 -0.269 0.000 2.713 336 A HA 0.753 5.073 4.320 -0.000 0.000 0.296 336 A C 1.424 178.804 177.584 -0.340 0.000 1.255 336 A CA 0.472 52.359 52.037 -0.249 0.000 0.955 336 A CB -0.131 18.762 19.000 -0.178 0.000 1.149 336 A HN 1.140 nan 8.150 nan 0.000 0.538 337 A N -0.988 121.559 122.820 -0.455 0.000 2.218 337 A HA 0.442 4.762 4.320 -0.000 0.000 0.209 337 A C 0.677 177.861 177.584 -0.666 0.000 1.168 337 A CA 0.657 52.276 52.037 -0.697 0.000 0.804 337 A CB -0.391 18.141 19.000 -0.780 0.000 0.834 337 A HN 0.547 nan 8.150 nan 0.000 0.482 338 F N -0.777 119.197 119.950 0.040 0.000 2.837 338 F HA 0.276 4.802 4.527 -0.000 0.000 0.328 338 F C 0.627 176.451 175.800 0.040 0.000 1.173 338 F CA -0.571 57.489 58.000 0.101 0.000 1.160 338 F CB 0.624 39.693 39.000 0.115 0.000 1.115 338 F HN 0.013 nan 8.300 nan 0.000 0.512 339 E N 1.384 121.634 120.200 0.082 0.000 2.312 339 E HA 0.029 4.379 4.350 -0.000 0.000 0.259 339 E C -0.638 176.027 176.600 0.109 0.000 1.122 339 E CA -0.147 56.291 56.400 0.063 0.000 0.922 339 E CB 0.913 30.611 29.700 -0.003 0.000 1.109 339 E HN 0.004 nan 8.360 nan 0.000 0.442 340 D N 2.146 122.606 120.400 0.101 0.000 2.358 340 D HA -0.018 4.622 4.640 -0.000 0.000 0.258 340 D C 1.359 177.738 176.300 0.132 0.000 1.223 340 D CA 0.128 54.201 54.000 0.121 0.000 0.886 340 D CB 0.536 41.358 40.800 0.038 0.000 1.120 340 D HN 0.390 nan 8.370 nan 0.000 0.482 341 L N 4.109 125.423 121.223 0.151 0.000 2.089 341 L HA -0.249 4.091 4.340 -0.000 0.000 0.213 341 L C 2.623 179.590 176.870 0.160 0.000 1.079 341 L CA 1.184 56.102 54.840 0.130 0.000 0.758 341 L CB -0.251 41.886 42.059 0.131 0.000 0.891 341 L HN 0.423 nan 8.230 nan 0.000 0.433 342 R N -0.725 119.895 120.500 0.200 0.000 2.094 342 R HA -0.198 4.142 4.340 -0.000 0.000 0.239 342 R C 2.296 178.930 176.300 0.556 0.000 1.137 342 R CA 1.812 58.136 56.100 0.373 0.000 0.943 342 R CB -0.851 29.700 30.300 0.418 0.000 0.850 342 R HN 0.266 nan 8.270 nan 0.000 0.433 343 V N 0.622 120.829 119.914 0.487 0.000 2.307 343 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 343 V C 1.943 178.257 176.094 0.366 0.000 1.045 343 V CA 2.131 64.734 62.300 0.503 0.000 1.024 343 V CB -0.159 31.844 31.823 0.301 0.000 0.651 343 V HN 0.303 nan 8.190 nan 0.000 0.449 344 S N 0.680 116.537 115.700 0.262 0.000 2.372 344 S HA -0.228 4.242 4.470 -0.000 0.000 0.227 344 S C 2.044 176.710 174.600 0.110 0.000 1.044 344 S CA 2.057 60.411 58.200 0.256 0.000 1.050 344 S CB -0.524 62.798 63.200 0.204 0.000 0.901 344 S HN 0.730 nan 8.310 nan 0.000 0.447 345 S N 0.810 116.558 115.700 0.080 0.000 2.423 345 S HA 0.025 4.495 4.470 -0.000 0.000 0.231 345 S C 1.449 176.070 174.600 0.034 0.000 1.014 345 S CA 0.698 58.889 58.200 -0.016 0.000 0.965 345 S CB -0.341 62.870 63.200 0.019 0.000 0.785 345 S HN 0.551 nan 8.310 nan 0.000 0.495 346 F N 2.443 122.391 119.950 -0.004 0.000 2.098 346 F HA 0.053 4.580 4.527 -0.000 0.000 0.294 346 F C 1.781 177.624 175.800 0.072 0.000 1.107 346 F CA 1.067 59.042 58.000 -0.042 0.000 1.234 346 F CB -0.407 38.505 39.000 -0.147 0.000 1.002 346 F HN 0.084 nan 8.300 nan 0.000 0.472 347 I N -0.116 120.518 120.570 0.106 0.000 2.353 347 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 347 I C 2.640 178.810 176.117 0.089 0.000 1.119 347 I CA 0.780 62.176 61.300 0.161 0.000 1.417 347 I CB -0.577 37.648 38.000 0.374 0.000 1.078 347 I HN 0.080 nan 8.210 nan 0.000 0.421 348 R N 1.222 121.673 120.500 -0.081 0.000 2.083 348 R HA -0.182 4.157 4.340 -0.000 0.000 0.237 348 R C 1.676 177.787 176.300 -0.316 0.000 1.137 348 R CA 1.862 57.701 56.100 -0.435 0.000 0.951 348 R CB -0.490 29.327 30.300 -0.805 0.000 0.851 348 R HN 0.546 nan 8.270 nan 0.000 0.434 349 G N -1.232 107.426 108.800 -0.237 0.000 2.253 349 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.209 349 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.209 349 G C 0.239 175.030 174.900 -0.182 0.000 0.997 349 G CA 0.517 45.491 45.100 -0.211 0.000 0.640 349 G HN 0.683 nan 8.290 nan 0.000 0.496 350 T N -1.556 112.871 114.554 -0.212 0.000 2.864 350 T HA 0.643 4.993 4.350 -0.000 0.000 0.299 350 T C -0.323 174.277 174.700 -0.167 0.000 1.166 350 T CA -0.503 61.495 62.100 -0.170 0.000 1.007 350 T CB 1.871 70.635 68.868 -0.174 0.000 1.219 350 T HN 0.435 nan 8.240 nan 0.000 0.506 351 K N 0.885 121.215 120.400 -0.117 0.000 2.530 351 K HA 0.272 4.592 4.320 -0.000 0.000 0.280 351 K C -0.608 175.902 176.600 -0.150 0.000 1.004 351 K CA -0.162 56.065 56.287 -0.101 0.000 1.071 351 K CB 0.143 32.604 32.500 -0.065 0.000 0.876 351 K HN 0.370 nan 8.250 nan 0.000 0.487 352 V N 4.833 124.675 119.914 -0.119 0.000 2.257 352 V HA 0.064 4.184 4.120 -0.000 0.000 0.269 352 V C 0.012 176.072 176.094 -0.058 0.000 1.040 352 V CA -0.778 61.441 62.300 -0.134 0.000 0.813 352 V CB 1.040 32.783 31.823 -0.135 0.000 1.065 352 V HN 0.491 nan 8.190 nan 0.000 0.457 353 V N 8.194 128.054 119.914 -0.091 0.000 2.715 353 V HA 0.206 4.326 4.120 -0.000 0.000 0.299 353 V C -1.482 174.666 176.094 0.090 0.000 1.054 353 V CA -1.200 61.076 62.300 -0.040 0.000 1.077 353 V CB 1.350 33.076 31.823 -0.161 0.000 0.972 353 V HN 0.634 nan 8.190 nan 0.000 0.484 354 P HA 0.046 nan 4.420 nan 0.000 0.270 354 P C 0.347 177.585 177.300 -0.103 0.000 1.227 354 P CA -0.241 62.912 63.100 0.088 0.000 0.788 354 P CB 0.842 32.560 31.700 0.030 0.000 0.926 355 R N 2.107 122.231 120.500 -0.628 0.000 2.073 355 R HA -0.108 4.232 4.340 -0.000 0.000 0.234 355 R C 2.477 178.645 176.300 -0.221 0.000 1.134 355 R CA 2.507 58.161 56.100 -0.742 0.000 0.952 355 R CB -1.679 27.910 30.300 -1.184 0.000 0.850 355 R HN 0.670 nan 8.270 nan 0.000 0.433 356 G N 0.745 109.469 108.800 -0.127 0.000 2.476 356 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 356 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 356 G C 1.106 176.017 174.900 0.019 0.000 1.164 356 G CA 0.885 45.975 45.100 -0.017 0.000 0.768 356 G HN 0.255 nan 8.290 nan 0.000 0.560 357 K N -0.326 120.092 120.400 0.030 0.000 2.525 357 K HA 0.172 4.492 4.320 -0.000 0.000 0.192 357 K C 0.226 176.931 176.600 0.175 0.000 1.029 357 K CA -0.327 56.012 56.287 0.087 0.000 1.029 357 K CB -0.089 32.462 32.500 0.085 0.000 0.814 357 K HN 0.231 nan 8.250 nan 0.000 0.503 358 L N 1.408 122.713 121.223 0.136 0.000 2.319 358 L HA 0.050 4.390 4.340 -0.000 0.000 0.280 358 L C -0.053 176.965 176.870 0.247 0.000 1.099 358 L CA 0.363 55.358 54.840 0.257 0.000 0.828 358 L CB 1.202 43.332 42.059 0.119 0.000 1.150 358 L HN -0.132 nan 8.230 nan 0.000 0.442 359 S N 3.088 118.995 115.700 0.346 0.000 3.483 359 S HA 0.454 4.923 4.470 -0.000 0.000 0.274 359 S C -0.006 174.637 174.600 0.071 0.000 1.289 359 S CA -0.155 58.087 58.200 0.069 0.000 0.938 359 S CB -0.413 62.690 63.200 -0.160 0.000 1.453 359 S HN 0.760 nan 8.310 nan 0.000 0.494 360 T N 1.135 115.730 114.554 0.068 0.000 2.927 360 T HA 0.295 4.644 4.350 -0.000 0.000 0.350 360 T C -0.205 174.525 174.700 0.050 0.000 1.746 360 T CA -0.681 61.448 62.100 0.048 0.000 1.081 360 T CB 0.799 69.696 68.868 0.049 0.000 1.551 360 T HN 0.383 nan 8.240 nan 0.000 0.489 361 R N 0.898 121.425 120.500 0.045 0.000 2.344 361 R HA 0.512 4.851 4.340 -0.000 0.000 0.209 361 R C 0.825 177.175 176.300 0.084 0.000 0.886 361 R CA 0.274 56.423 56.100 0.082 0.000 1.040 361 R CB 1.273 31.620 30.300 0.080 0.000 1.114 361 R HN 0.936 nan 8.270 nan 0.000 0.547 362 G N -0.569 108.239 108.800 0.013 0.000 2.368 362 G HA2 0.026 3.986 3.960 -0.000 0.000 0.303 362 G HA3 0.026 3.986 3.960 -0.000 0.000 0.303 362 G C -0.048 174.829 174.900 -0.039 0.000 1.590 362 G CA -0.936 44.140 45.100 -0.039 0.000 0.938 362 G HN -0.156 nan 8.290 nan 0.000 0.675 363 V N 0.556 120.426 119.914 -0.073 0.000 2.591 363 V HA 0.026 4.146 4.120 -0.000 0.000 0.249 363 V C 1.589 177.647 176.094 -0.061 0.000 1.053 363 V CA 1.667 63.929 62.300 -0.063 0.000 1.068 363 V CB -0.548 31.239 31.823 -0.059 0.000 0.689 363 V HN 0.663 nan 8.190 nan 0.000 0.462 364 Q N -0.091 119.688 119.800 -0.035 0.000 2.340 364 Q HA 0.400 4.740 4.340 -0.000 0.000 0.249 364 Q C -1.071 174.936 176.000 0.013 0.000 0.957 364 Q CA -0.300 55.500 55.803 -0.005 0.000 0.882 364 Q CB 1.567 30.317 28.738 0.020 0.000 1.235 364 Q HN 0.273 nan 8.270 nan 0.000 0.439 365 I N 1.669 122.262 120.570 0.038 0.000 2.331 365 I HA 0.248 4.418 4.170 -0.000 0.000 0.292 365 I C 0.029 176.218 176.117 0.120 0.000 0.998 365 I CA 0.033 61.372 61.300 0.065 0.000 1.267 365 I CB 1.404 39.436 38.000 0.054 0.000 1.386 365 I HN 0.605 nan 8.210 nan 0.000 0.476 366 A N 3.915 126.786 122.820 0.084 0.000 2.322 366 A HA 0.395 4.715 4.320 -0.000 0.000 0.269 366 A C 1.288 178.919 177.584 0.078 0.000 1.094 366 A CA 0.116 52.197 52.037 0.074 0.000 0.807 366 A CB 0.235 19.267 19.000 0.053 0.000 1.047 366 A HN 0.861 nan 8.150 nan 0.000 0.487 367 S N 1.193 116.930 115.700 0.062 0.000 2.465 367 S HA -0.205 4.264 4.470 -0.000 0.000 0.241 367 S C 1.158 175.786 174.600 0.046 0.000 1.000 367 S CA 1.644 59.874 58.200 0.051 0.000 0.964 367 S CB -0.780 62.441 63.200 0.035 0.000 0.763 367 S HN 0.803 nan 8.310 nan 0.000 0.512 368 N N 1.482 120.208 118.700 0.043 0.000 2.142 368 N HA -0.025 4.715 4.740 -0.000 0.000 0.186 368 N C 0.602 176.137 175.510 0.042 0.000 1.023 368 N CA 0.782 53.854 53.050 0.036 0.000 0.852 368 N CB -0.031 38.474 38.487 0.031 0.000 0.998 368 N HN 0.609 nan 8.380 nan 0.000 0.424 369 E N 1.283 121.514 120.200 0.051 0.000 2.397 369 E HA 0.067 4.417 4.350 -0.000 0.000 0.254 369 E C -0.290 176.347 176.600 0.061 0.000 1.231 369 E CA -0.228 56.203 56.400 0.052 0.000 0.954 369 E CB 0.417 30.150 29.700 0.055 0.000 1.024 369 E HN 0.327 nan 8.360 nan 0.000 0.481 370 N N 0.162 118.899 118.700 0.060 0.000 2.381 370 N HA 0.153 4.893 4.740 -0.000 0.000 0.294 370 N C 0.066 175.627 175.510 0.085 0.000 1.216 370 N CA -0.572 52.519 53.050 0.068 0.000 0.803 370 N CB 1.236 39.755 38.487 0.054 0.000 1.372 370 N HN 0.285 nan 8.380 nan 0.000 0.500 371 M N 0.160 119.822 119.600 0.103 0.000 2.514 371 M HA 0.027 4.507 4.480 -0.000 0.000 0.258 371 M C 1.596 177.968 176.300 0.119 0.000 1.119 371 M CA 0.726 56.107 55.300 0.135 0.000 1.111 371 M CB -1.162 31.543 32.600 0.176 0.000 1.390 371 M HN 0.769 nan 8.290 nan 0.000 0.475 372 E N 1.447 121.699 120.200 0.086 0.000 2.051 372 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 372 E C 0.860 177.503 176.600 0.072 0.000 0.991 372 E CA 1.810 58.254 56.400 0.073 0.000 0.799 372 E CB -0.283 29.448 29.700 0.052 0.000 0.748 372 E HN 0.378 nan 8.360 nan 0.000 0.449 373 T N -1.015 113.575 114.554 0.061 0.000 3.285 373 T HA 0.443 4.793 4.350 -0.000 0.000 0.232 373 T C 0.014 174.744 174.700 0.050 0.000 0.973 373 T CA -0.484 61.645 62.100 0.050 0.000 1.023 373 T CB -0.420 68.469 68.868 0.035 0.000 1.158 373 T HN 0.081 nan 8.240 nan 0.000 0.590 374 M N 2.499 122.142 119.600 0.072 0.000 2.386 374 M HA 0.577 5.056 4.480 -0.000 0.000 0.293 374 M C -1.466 174.882 176.300 0.081 0.000 1.120 374 M CA -0.539 54.791 55.300 0.050 0.000 0.909 374 M CB 1.941 34.570 32.600 0.049 0.000 1.661 374 M HN 0.370 nan 8.290 nan 0.000 0.452 375 E N 1.660 121.868 120.200 0.013 0.000 2.446 375 E HA 0.818 5.168 4.350 -0.000 0.000 0.269 375 E C -1.747 174.799 176.600 -0.089 0.000 0.977 375 E CA -0.899 55.534 56.400 0.055 0.000 0.854 375 E CB 1.318 31.073 29.700 0.091 0.000 1.545 375 E HN 0.647 nan 8.360 nan 0.000 0.448 376 S N -0.610 115.089 115.700 -0.003 0.000 2.541 376 S HA 0.720 5.190 4.470 -0.000 0.000 0.280 376 S C -0.520 174.131 174.600 0.086 0.000 1.112 376 S CA -0.559 57.604 58.200 -0.061 0.000 0.925 376 S CB 1.261 64.359 63.200 -0.170 0.000 1.067 376 S HN 0.799 nan 8.310 nan 0.000 0.479 377 S N 1.069 116.814 115.700 0.075 0.000 2.677 377 S HA 0.789 5.259 4.470 -0.000 0.000 0.304 377 S C -0.530 174.190 174.600 0.199 0.000 1.108 377 S CA -0.835 57.441 58.200 0.127 0.000 0.944 377 S CB 1.223 64.466 63.200 0.071 0.000 1.127 377 S HN 0.732 nan 8.310 nan 0.000 0.511 378 T N 2.215 116.904 114.554 0.225 0.000 2.744 378 T HA 0.401 4.751 4.350 -0.000 0.000 0.291 378 T C -0.081 174.662 174.700 0.072 0.000 0.957 378 T CA -0.453 61.794 62.100 0.245 0.000 1.002 378 T CB 0.085 69.126 68.868 0.289 0.000 0.919 378 T HN 0.464 nan 8.240 nan 0.000 0.468 379 L N 3.229 124.448 121.223 -0.008 0.000 2.367 379 L HA 0.274 4.614 4.340 -0.000 0.000 0.275 379 L C 0.807 177.652 176.870 -0.042 0.000 1.129 379 L CA -0.520 54.301 54.840 -0.031 0.000 0.839 379 L CB 0.533 42.551 42.059 -0.068 0.000 1.133 379 L HN 0.597 nan 8.230 nan 0.000 0.453 380 E N 4.084 124.269 120.200 -0.027 0.000 1.996 380 E HA 0.176 4.525 4.350 -0.000 0.000 0.280 380 E C -0.010 176.573 176.600 -0.028 0.000 1.092 380 E CA 0.169 56.546 56.400 -0.038 0.000 0.862 380 E CB 0.449 30.118 29.700 -0.051 0.000 1.066 380 E HN 0.518 nan 8.360 nan 0.000 0.396 381 L N 3.377 124.594 121.223 -0.011 0.000 2.664 381 L HA 0.333 4.673 4.340 -0.000 0.000 0.233 381 L C 0.899 177.838 176.870 0.115 0.000 1.113 381 L CA -0.390 54.498 54.840 0.080 0.000 0.896 381 L CB 0.075 42.135 42.059 0.003 0.000 1.163 381 L HN 0.307 nan 8.230 nan 0.000 0.497 382 R N 0.900 121.407 120.500 0.012 0.000 2.734 382 R HA 0.160 4.500 4.340 -0.000 0.000 0.266 382 R C 0.190 176.479 176.300 -0.018 0.000 1.044 382 R CA 0.256 56.355 56.100 -0.001 0.000 1.128 382 R CB 0.584 30.865 30.300 -0.031 0.000 1.010 382 R HN 0.146 nan 8.270 nan 0.000 0.461 383 S N 0.598 116.305 115.700 0.012 0.000 2.634 383 S HA 0.417 4.887 4.470 -0.000 0.000 0.296 383 S C 0.389 174.977 174.600 -0.020 0.000 1.104 383 S CA -1.177 57.026 58.200 0.006 0.000 0.920 383 S CB 2.533 65.832 63.200 0.166 0.000 1.111 383 S HN 0.491 nan 8.310 nan 0.000 0.493 384 R N -0.068 120.381 120.500 -0.085 0.000 2.052 384 R HA 0.239 4.579 4.340 -0.000 0.000 0.224 384 R C -0.174 175.916 176.300 -0.350 0.000 1.165 384 R CA 1.356 57.287 56.100 -0.282 0.000 0.939 384 R CB -0.761 29.316 30.300 -0.371 0.000 0.834 384 R HN 0.780 nan 8.270 nan 0.000 0.435 385 Y N -1.478 118.867 120.300 0.075 0.000 2.772 385 Y HA 0.365 4.914 4.550 -0.000 0.000 0.324 385 Y C 0.344 176.530 175.900 0.476 0.000 1.169 385 Y CA -0.977 57.239 58.100 0.192 0.000 1.198 385 Y CB 0.598 39.059 38.460 0.000 0.000 1.402 385 Y HN 0.172 nan 8.280 nan 0.000 0.577 386 W N -0.362 121.156 121.300 0.365 0.000 3.062 386 W HA 0.893 5.553 4.660 -0.000 0.000 0.336 386 W C -2.027 174.511 176.519 0.031 0.000 1.224 386 W CA -1.867 55.481 57.345 0.005 0.000 1.159 386 W CB 1.224 30.432 29.460 -0.420 0.000 1.454 386 W HN 0.706 nan 8.180 nan 0.000 0.569 387 A N 2.549 125.314 122.820 -0.091 0.000 2.549 387 A HA 0.582 4.902 4.320 -0.000 0.000 0.297 387 A C -0.883 176.671 177.584 -0.050 0.000 1.061 387 A CA -0.909 51.068 52.037 -0.101 0.000 0.690 387 A CB 1.376 20.356 19.000 -0.033 0.000 1.287 387 A HN 0.531 nan 8.150 nan 0.000 0.402 388 I N 2.336 122.895 120.570 -0.018 0.000 2.691 388 I HA 0.019 4.189 4.170 -0.000 0.000 0.288 388 I C 0.585 176.721 176.117 0.031 0.000 1.143 388 I CA 0.156 61.475 61.300 0.031 0.000 1.364 388 I CB -0.817 37.207 38.000 0.041 0.000 1.435 388 I HN 0.592 nan 8.210 nan 0.000 0.551 389 R N 4.648 125.174 120.500 0.042 0.000 2.488 389 R HA 0.038 4.378 4.340 -0.000 0.000 0.317 389 R C 0.445 176.811 176.300 0.111 0.000 0.941 389 R CA 0.355 56.505 56.100 0.083 0.000 1.076 389 R CB -0.138 30.236 30.300 0.124 0.000 0.917 389 R HN 0.573 nan 8.270 nan 0.000 0.407 390 T N 2.234 116.870 114.554 0.136 0.000 2.852 390 T HA 0.375 4.725 4.350 -0.000 0.000 0.281 390 T C 1.135 175.926 174.700 0.152 0.000 0.993 390 T CA -0.792 61.409 62.100 0.169 0.000 0.933 390 T CB 1.312 70.350 68.868 0.283 0.000 1.187 390 T HN 0.537 nan 8.240 nan 0.000 0.559 391 R N -0.441 120.132 120.500 0.121 0.000 2.350 391 R HA 0.286 4.626 4.340 -0.000 0.000 0.199 391 R C 1.149 177.476 176.300 0.044 0.000 0.876 391 R CA -0.163 55.944 56.100 0.011 0.000 1.062 391 R CB -0.161 30.133 30.300 -0.011 0.000 1.263 391 R HN 0.516 nan 8.270 nan 0.000 0.641 392 S N 0.710 116.472 115.700 0.104 0.000 2.573 392 S HA 0.018 4.488 4.470 -0.000 0.000 0.297 392 S C 1.145 175.798 174.600 0.088 0.000 1.280 392 S CA 0.173 58.399 58.200 0.044 0.000 1.061 392 S CB 0.894 64.069 63.200 -0.041 0.000 0.812 392 S HN 0.475 nan 8.310 nan 0.000 0.500 393 G N 2.892 111.684 108.800 -0.013 0.000 3.088 393 G HA2 0.463 4.423 3.960 -0.000 0.000 0.212 393 G HA3 0.463 4.423 3.960 -0.000 0.000 0.212 393 G C 0.790 175.640 174.900 -0.084 0.000 1.173 393 G CA 0.195 45.301 45.100 0.010 0.000 0.779 393 G HN 1.489 nan 8.290 nan 0.000 0.540 394 G N -0.366 108.241 108.800 -0.321 0.000 2.801 394 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.686 394 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.686 394 G C -0.680 174.109 174.900 -0.186 0.000 1.507 394 G CA 0.031 44.903 45.100 -0.380 0.000 0.980 394 G HN 1.065 nan 8.290 nan 0.000 0.589 395 N N -0.980 117.621 118.700 -0.166 0.000 2.598 395 N HA 0.761 5.501 4.740 -0.000 0.000 0.263 395 N C -0.122 175.346 175.510 -0.071 0.000 1.254 395 N CA 0.195 53.191 53.050 -0.091 0.000 0.863 395 N CB 1.662 40.108 38.487 -0.070 0.000 1.586 395 N HN 0.800 nan 8.380 nan 0.000 0.491 403 S N 1.199 116.902 115.700 0.005 0.000 2.726 403 S HA 1.009 5.478 4.470 -0.000 0.000 0.308 403 S C 0.640 175.245 174.600 0.008 0.000 1.115 403 S CA -0.348 57.856 58.200 0.005 0.000 0.965 403 S CB 1.274 64.477 63.200 0.005 0.000 1.145 403 S HN 1.942 nan 8.310 nan 0.000 0.532 404 G N 0.908 109.713 108.800 0.008 0.000 2.915 404 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.337 404 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.337 404 G C -0.498 174.410 174.900 0.013 0.000 1.477 404 G CA -0.065 45.041 45.100 0.010 0.000 0.916 404 G HN 1.244 nan 8.290 nan 0.000 0.550 405 Q N -0.903 118.907 119.800 0.016 0.000 2.293 405 Q HA 0.636 4.976 4.340 -0.000 0.000 0.251 405 Q C 0.744 176.762 176.000 0.031 0.000 0.930 405 Q CA -0.874 54.941 55.803 0.021 0.000 0.893 405 Q CB 1.156 29.906 28.738 0.020 0.000 1.215 405 Q HN 0.440 nan 8.270 nan 0.000 0.425 406 I N 0.523 121.117 120.570 0.040 0.000 3.956 406 I HA 0.137 4.307 4.170 -0.000 0.000 0.333 406 I C 0.433 176.614 176.117 0.106 0.000 1.302 406 I CA 0.287 61.626 61.300 0.064 0.000 1.122 406 I CB -0.254 37.782 38.000 0.059 0.000 1.013 406 I HN 0.748 nan 8.210 nan 0.000 0.405 407 S N 0.022 115.774 115.700 0.086 0.000 2.625 407 S HA 0.643 5.112 4.470 -0.000 0.000 0.271 407 S C -1.212 173.436 174.600 0.080 0.000 1.161 407 S CA -0.442 57.828 58.200 0.117 0.000 0.820 407 S CB 2.051 65.302 63.200 0.085 0.000 1.137 407 S HN -0.081 nan 8.310 nan 0.000 0.470 408 I N 1.919 122.545 120.570 0.093 0.000 2.793 408 I HA 0.720 4.890 4.170 -0.000 0.000 0.313 408 I C -0.653 175.487 176.117 0.037 0.000 0.998 408 I CA -0.264 61.072 61.300 0.060 0.000 1.140 408 I CB 1.906 39.946 38.000 0.067 0.000 1.327 408 I HN 0.785 nan 8.210 nan 0.000 0.491 409 Q N 5.740 125.551 119.800 0.017 0.000 2.350 409 Q HA 0.509 4.849 4.340 -0.000 0.000 0.255 409 Q C -2.607 173.382 176.000 -0.019 0.000 0.951 409 Q CA -1.572 54.229 55.803 -0.003 0.000 0.751 409 Q CB 1.213 29.941 28.738 -0.017 0.000 1.296 409 Q HN 0.343 nan 8.270 nan 0.000 0.453 410 P HA 0.049 nan 4.420 nan 0.000 0.261 410 P C -0.349 176.898 177.300 -0.088 0.000 1.203 410 P CA 0.140 63.230 63.100 -0.016 0.000 0.767 410 P CB 1.219 32.923 31.700 0.007 0.000 0.785 411 T N 1.876 116.320 114.554 -0.182 0.000 3.034 411 T HA 0.157 4.507 4.350 -0.000 0.000 0.248 411 T C 0.480 174.843 174.700 -0.560 0.000 1.040 411 T CA 0.713 62.549 62.100 -0.440 0.000 1.107 411 T CB -0.084 68.343 68.868 -0.734 0.000 0.932 411 T HN 0.212 nan 8.240 nan 0.000 0.474 412 F N 0.841 120.796 119.950 0.007 0.000 2.557 412 F HA 0.593 5.120 4.527 -0.000 0.000 0.336 412 F C 0.712 176.517 175.800 0.007 0.000 1.058 412 F CA -1.543 56.461 58.000 0.006 0.000 0.988 412 F CB 1.231 40.234 39.000 0.006 0.000 1.275 412 F HN -0.247 nan 8.300 nan 0.000 0.488 413 S N 1.554 117.389 115.700 0.224 0.000 2.921 413 S HA 0.638 5.108 4.470 -0.000 0.000 0.244 413 S C -1.338 173.324 174.600 0.102 0.000 1.291 413 S CA -0.312 57.959 58.200 0.119 0.000 1.010 413 S CB -0.663 62.588 63.200 0.085 0.000 1.255 413 S HN 0.391 nan 8.310 nan 0.000 0.492 414 V N 4.950 124.924 119.914 0.099 0.000 2.623 414 V HA 0.379 4.499 4.120 -0.000 0.000 0.304 414 V C -0.025 176.100 176.094 0.053 0.000 1.054 414 V CA -0.975 61.365 62.300 0.066 0.000 0.882 414 V CB 1.769 33.631 31.823 0.064 0.000 1.002 414 V HN 0.765 nan 8.190 nan 0.000 0.424 415 Q N 4.479 124.300 119.800 0.035 0.000 2.247 415 Q HA 0.366 4.706 4.340 -0.000 0.000 0.288 415 Q C -0.338 175.679 176.000 0.029 0.000 1.079 415 Q CA 0.314 56.135 55.803 0.030 0.000 0.932 415 Q CB 0.344 29.094 28.738 0.021 0.000 1.133 415 Q HN 0.787 nan 8.270 nan 0.000 0.377 416 R N 1.533 122.053 120.500 0.032 0.000 2.780 416 R HA 0.277 4.617 4.340 -0.000 0.000 0.280 416 R C -1.468 174.851 176.300 0.032 0.000 1.016 416 R CA -0.850 55.268 56.100 0.029 0.000 0.854 416 R CB -0.523 29.797 30.300 0.033 0.000 1.293 416 R HN 0.728 nan 8.270 nan 0.000 0.483 417 N N 0.624 119.339 118.700 0.025 0.000 2.503 417 N HA 0.257 4.997 4.740 -0.000 0.000 0.267 417 N C -0.641 174.898 175.510 0.048 0.000 1.214 417 N CA -0.494 52.574 53.050 0.030 0.000 0.959 417 N CB 0.631 39.121 38.487 0.005 0.000 1.142 417 N HN 0.598 nan 8.380 nan 0.000 0.455 418 L N 1.329 122.600 121.223 0.081 0.000 2.287 418 L HA 0.401 4.740 4.340 -0.000 0.000 0.280 418 L C -2.017 174.952 176.870 0.166 0.000 1.055 418 L CA -1.922 52.987 54.840 0.115 0.000 0.863 418 L CB 0.813 42.947 42.059 0.126 0.000 1.245 418 L HN 0.404 nan 8.230 nan 0.000 0.432 419 P HA 0.155 nan 4.420 nan 0.000 0.268 419 P C -0.898 176.514 177.300 0.186 0.000 1.208 419 P CA 0.261 63.378 63.100 0.028 0.000 0.777 419 P CB 0.394 32.100 31.700 0.011 0.000 0.875 420 F N -1.847 118.104 119.950 0.001 0.000 2.740 420 F HA 0.256 4.782 4.527 -0.000 0.000 0.312 420 F C -1.249 174.550 175.800 -0.002 0.000 1.121 420 F CA -1.153 56.846 58.000 -0.001 0.000 0.977 420 F CB 0.609 39.608 39.000 -0.001 0.000 1.265 420 F HN 0.057 nan 8.300 nan 0.000 0.443 421 D N 3.248 123.779 120.400 0.218 0.000 2.545 421 D HA 0.104 4.744 4.640 -0.000 0.000 0.227 421 D C 1.371 177.809 176.300 0.230 0.000 1.150 421 D CA 0.235 54.308 54.000 0.122 0.000 1.046 421 D CB 0.440 41.290 40.800 0.084 0.000 1.098 421 D HN 0.802 nan 8.370 nan 0.000 0.502 422 R N 2.740 123.379 120.500 0.231 0.000 2.113 422 R HA -0.165 4.175 4.340 -0.000 0.000 0.244 422 R C -0.927 175.471 176.300 0.163 0.000 1.142 422 R CA 1.589 57.892 56.100 0.338 0.000 0.953 422 R CB -0.515 29.937 30.300 0.253 0.000 0.860 422 R HN 0.306 nan 8.270 nan 0.000 0.438 423 P HA -0.027 nan 4.420 nan 0.000 0.216 423 P C 0.961 178.290 177.300 0.048 0.000 1.153 423 P CA 1.459 64.590 63.100 0.050 0.000 0.844 423 P CB -0.014 31.698 31.700 0.021 0.000 0.787 424 T N -0.370 114.215 114.554 0.053 0.000 2.746 424 T HA -0.104 4.245 4.350 -0.000 0.000 0.267 424 T C 1.759 176.485 174.700 0.044 0.000 1.039 424 T CA 1.173 63.298 62.100 0.042 0.000 1.142 424 T CB -0.831 68.063 68.868 0.042 0.000 0.866 424 T HN 0.043 nan 8.240 nan 0.000 0.444 425 I N 0.830 121.440 120.570 0.068 0.000 2.141 425 I HA -0.096 4.074 4.170 -0.000 0.000 0.236 425 I C 2.293 178.427 176.117 0.029 0.000 1.071 425 I CA 0.915 62.242 61.300 0.045 0.000 1.345 425 I CB -0.359 37.672 38.000 0.052 0.000 1.066 425 I HN 0.160 nan 8.210 nan 0.000 0.406 426 M N 0.851 120.478 119.600 0.045 0.000 2.623 426 M HA -0.126 4.354 4.480 -0.000 0.000 0.258 426 M C 2.288 178.602 176.300 0.023 0.000 1.067 426 M CA 0.912 56.230 55.300 0.031 0.000 1.068 426 M CB -1.513 31.116 32.600 0.048 0.000 1.409 426 M HN 0.314 nan 8.290 nan 0.000 0.504 427 A N 0.660 123.494 122.820 0.024 0.000 2.131 427 A HA 0.156 4.476 4.320 -0.000 0.000 0.220 427 A C 1.606 179.196 177.584 0.010 0.000 1.158 427 A CA 1.034 53.081 52.037 0.016 0.000 0.665 427 A CB -0.647 18.361 19.000 0.015 0.000 0.795 427 A HN 0.495 nan 8.150 nan 0.000 0.460 439 D N 1.119 121.492 120.400 -0.045 0.000 2.329 439 D HA 0.459 5.099 4.640 -0.000 0.000 0.232 439 D C 0.394 176.655 176.300 -0.065 0.000 1.088 439 D CA -0.352 53.607 54.000 -0.068 0.000 0.835 439 D CB 1.500 42.243 40.800 -0.094 0.000 1.078 439 D HN 0.185 nan 8.370 nan 0.000 0.495 440 M N 4.024 123.588 119.600 -0.059 0.000 2.446 440 M HA -0.072 4.408 4.480 -0.000 0.000 0.263 440 M C 1.729 178.016 176.300 -0.022 0.000 1.066 440 M CA 1.198 56.478 55.300 -0.033 0.000 1.087 440 M CB -0.154 32.431 32.600 -0.025 0.000 1.406 440 M HN 0.335 nan 8.290 nan 0.000 0.459 441 R N -1.200 119.222 120.500 -0.131 0.000 2.094 441 R HA -0.162 4.178 4.340 -0.000 0.000 0.239 441 R C 1.931 178.204 176.300 -0.046 0.000 1.137 441 R CA 2.155 58.087 56.100 -0.281 0.000 0.943 441 R CB -1.519 28.418 30.300 -0.606 0.000 0.850 441 R HN 0.376 nan 8.270 nan 0.000 0.433 442 T N 1.097 115.613 114.554 -0.062 0.000 2.624 442 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 442 T C 1.705 176.426 174.700 0.034 0.000 1.041 442 T CA 1.915 64.010 62.100 -0.009 0.000 1.159 442 T CB -0.339 68.516 68.868 -0.023 0.000 0.863 442 T HN 0.291 nan 8.240 nan 0.000 0.434 443 E N 0.995 121.212 120.200 0.029 0.000 2.065 443 E HA -0.136 4.213 4.350 -0.000 0.000 0.201 443 E C 1.993 178.633 176.600 0.066 0.000 1.016 443 E CA 1.399 57.821 56.400 0.036 0.000 0.818 443 E CB -0.616 29.098 29.700 0.023 0.000 0.749 443 E HN 0.592 nan 8.360 nan 0.000 0.453 444 I N -0.166 120.476 120.570 0.120 0.000 2.163 444 I HA -0.238 3.932 4.170 -0.000 0.000 0.240 444 I C 2.372 178.576 176.117 0.146 0.000 1.081 444 I CA 1.037 62.424 61.300 0.146 0.000 1.353 444 I CB -0.279 37.879 38.000 0.263 0.000 1.054 444 I HN 0.124 nan 8.210 nan 0.000 0.407 445 I N 0.485 121.186 120.570 0.219 0.000 2.248 445 I HA -0.353 3.817 4.170 -0.000 0.000 0.248 445 I C 2.729 178.899 176.117 0.088 0.000 1.107 445 I CA 1.465 62.866 61.300 0.168 0.000 1.373 445 I CB -0.461 37.633 38.000 0.157 0.000 1.055 445 I HN 0.224 nan 8.210 nan 0.000 0.418 446 R N 1.102 121.643 120.500 0.068 0.000 2.115 446 R HA -0.119 4.221 4.340 -0.000 0.000 0.226 446 R C 2.153 178.475 176.300 0.037 0.000 1.100 446 R CA 1.181 57.306 56.100 0.043 0.000 0.980 446 R CB -0.022 30.297 30.300 0.032 0.000 0.875 446 R HN 0.344 nan 8.270 nan 0.000 0.445 447 L N 0.020 121.268 121.223 0.041 0.000 2.071 447 L HA -0.048 4.292 4.340 -0.000 0.000 0.201 447 L C 2.606 179.490 176.870 0.024 0.000 1.076 447 L CA 0.906 55.763 54.840 0.028 0.000 0.755 447 L CB -0.506 41.568 42.059 0.026 0.000 0.915 447 L HN 0.133 nan 8.230 nan 0.000 0.445 448 M N -0.046 119.570 119.600 0.027 0.000 2.622 448 M HA -0.392 4.088 4.480 -0.000 0.000 0.257 448 M C 2.248 178.562 176.300 0.023 0.000 1.047 448 M CA 2.329 57.641 55.300 0.019 0.000 1.054 448 M CB -0.667 31.948 32.600 0.026 0.000 1.295 448 M HN 0.242 nan 8.290 nan 0.000 0.462 449 E N 0.380 120.599 120.200 0.031 0.000 2.068 449 E HA -0.185 4.165 4.350 -0.000 0.000 0.207 449 E C 1.767 178.380 176.600 0.022 0.000 1.032 449 E CA 2.431 58.847 56.400 0.028 0.000 0.839 449 E CB -0.380 29.338 29.700 0.029 0.000 0.758 449 E HN 0.413 nan 8.360 nan 0.000 0.457 450 S N -0.218 115.494 115.700 0.020 0.000 2.537 450 S HA 0.095 4.565 4.470 -0.000 0.000 0.240 450 S C 0.333 174.942 174.600 0.016 0.000 0.981 450 S CA 0.372 58.583 58.200 0.018 0.000 0.948 450 S CB -0.316 62.893 63.200 0.016 0.000 0.759 450 S HN 0.486 nan 8.310 nan 0.000 0.531 451 A N 2.572 125.401 122.820 0.015 0.000 2.354 451 A HA 0.528 4.848 4.320 -0.000 0.000 0.281 451 A C 0.181 177.774 177.584 0.015 0.000 1.174 451 A CA -0.491 51.553 52.037 0.012 0.000 0.828 451 A CB 0.338 19.343 19.000 0.008 0.000 1.099 451 A HN 0.133 nan 8.150 nan 0.000 0.516 452 R N 3.045 123.553 120.500 0.014 0.000 2.532 452 R HA 0.389 4.729 4.340 -0.000 0.000 0.295 452 R C -2.464 173.844 176.300 0.013 0.000 0.968 452 R CA -2.640 53.470 56.100 0.016 0.000 0.916 452 R CB 0.358 30.668 30.300 0.016 0.000 1.124 452 R HN 0.350 nan 8.270 nan 0.000 0.463 453 P HA -0.161 nan 4.420 nan 0.000 0.220 453 P C 0.801 178.104 177.300 0.005 0.000 1.148 453 P CA 1.087 64.200 63.100 0.022 0.000 0.803 453 P CB 0.306 32.026 31.700 0.033 0.000 0.782 454 E N -0.782 119.417 120.200 -0.002 0.000 2.478 454 E HA -0.088 4.262 4.350 -0.000 0.000 0.198 454 E C -0.139 176.450 176.600 -0.018 0.000 1.046 454 E CA 0.396 56.786 56.400 -0.016 0.000 0.870 454 E CB -0.771 28.920 29.700 -0.015 0.000 0.818 454 E HN 0.214 nan 8.360 nan 0.000 0.527 455 D N 2.960 123.356 120.400 -0.008 0.000 2.426 455 D HA 0.004 4.644 4.640 -0.000 0.000 0.261 455 D C 0.255 176.547 176.300 -0.012 0.000 1.245 455 D CA 0.242 54.236 54.000 -0.009 0.000 0.917 455 D CB 1.150 41.947 40.800 -0.005 0.000 1.123 455 D HN 0.047 nan 8.370 nan 0.000 0.508 456 V N 1.490 121.395 119.914 -0.016 0.000 2.529 456 V HA 0.204 4.324 4.120 -0.000 0.000 0.292 456 V C 0.658 176.752 176.094 0.000 0.000 1.028 456 V CA -0.381 61.913 62.300 -0.009 0.000 1.074 456 V CB 0.752 32.566 31.823 -0.014 0.000 0.958 456 V HN 0.273 nan 8.190 nan 0.000 0.481 457 S N 3.164 118.892 115.700 0.046 0.000 2.704 457 S HA 0.774 5.244 4.470 -0.000 0.000 0.305 457 S C -0.309 174.399 174.600 0.180 0.000 1.107 457 S CA -0.614 57.602 58.200 0.027 0.000 0.993 457 S CB 0.827 64.033 63.200 0.009 0.000 1.110 457 S HN 0.879 nan 8.310 nan 0.000 0.534 458 F N -0.252 119.686 119.950 -0.020 0.000 3.027 458 F HA -0.163 4.364 4.527 -0.000 0.000 0.276 458 F C 0.641 176.423 175.800 -0.030 0.000 0.967 458 F CA 0.141 58.130 58.000 -0.019 0.000 0.929 458 F CB -1.833 37.157 39.000 -0.016 0.000 0.873 458 F HN 0.571 nan 8.300 nan 0.000 0.787 459 Q N 1.489 121.328 119.800 0.065 0.000 2.283 459 Q HA 0.358 4.698 4.340 -0.000 0.000 0.301 459 Q C 1.385 177.404 176.000 0.031 0.000 1.063 459 Q CA 1.443 57.264 55.803 0.031 0.000 0.952 459 Q CB 0.853 29.589 28.738 -0.003 0.000 1.166 459 Q HN 0.912 nan 8.270 nan 0.000 0.381 460 G N 3.389 112.195 108.800 0.010 0.000 2.396 460 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.242 460 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.242 460 G C -0.112 174.775 174.900 -0.022 0.000 1.069 460 G CA 0.244 45.339 45.100 -0.008 0.000 0.633 460 G HN 0.664 nan 8.290 nan 0.000 0.517 461 R N 1.718 122.229 120.500 0.019 0.000 2.623 461 R HA 0.555 4.895 4.340 -0.000 0.000 0.271 461 R C 0.863 177.089 176.300 -0.122 0.000 1.043 461 R CA 0.593 56.688 56.100 -0.009 0.000 1.083 461 R CB 0.455 30.812 30.300 0.095 0.000 0.974 461 R HN 0.766 nan 8.270 nan 0.000 0.436 462 G N -0.113 108.512 108.800 -0.291 0.000 3.058 462 G HA2 0.579 4.539 3.960 -0.000 0.000 0.282 462 G HA3 0.579 4.539 3.960 -0.000 0.000 0.282 462 G C -0.981 173.535 174.900 -0.641 0.000 1.248 462 G CA -0.224 44.630 45.100 -0.411 0.000 0.822 462 G HN 0.446 nan 8.290 nan 0.000 0.579 463 V N -2.302 117.210 119.914 -0.669 0.000 2.815 463 V HA 0.891 5.011 4.120 -0.000 0.000 0.314 463 V C -1.147 174.433 176.094 -0.857 0.000 1.064 463 V CA -1.200 60.731 62.300 -0.615 0.000 0.952 463 V CB 1.388 33.032 31.823 -0.299 0.000 1.020 463 V HN 0.453 nan 8.190 nan 0.000 0.439 464 F N 0.375 120.001 119.950 -0.541 0.000 2.508 464 F HA 0.625 5.152 4.527 -0.000 0.000 0.325 464 F C 0.629 176.434 175.800 0.008 0.000 1.090 464 F CA -0.849 56.869 58.000 -0.470 0.000 0.945 464 F CB 1.267 39.650 39.000 -1.027 0.000 1.156 464 F HN 0.501 nan 8.300 nan 0.000 0.463 465 E N 1.892 122.338 120.200 0.411 0.000 2.422 465 E HA 0.069 4.419 4.350 -0.000 0.000 0.260 465 E C 0.930 177.860 176.600 0.550 0.000 1.108 465 E CA 0.058 56.711 56.400 0.422 0.000 0.943 465 E CB 0.776 30.638 29.700 0.271 0.000 0.961 465 E HN 0.688 nan 8.360 nan 0.000 0.443 466 L N 1.078 122.515 121.223 0.358 0.000 2.478 466 L HA -0.122 4.218 4.340 -0.000 0.000 0.223 466 L C 2.211 179.182 176.870 0.169 0.000 1.140 466 L CA 0.677 55.685 54.840 0.280 0.000 0.842 466 L CB -0.239 41.913 42.059 0.154 0.000 0.953 466 L HN 0.431 nan 8.230 nan 0.000 0.452 467 S N -2.281 113.522 115.700 0.172 0.000 2.414 467 S HA -0.103 4.366 4.470 -0.000 0.000 0.227 467 S C 1.107 175.805 174.600 0.162 0.000 1.022 467 S CA 0.087 58.362 58.200 0.126 0.000 0.958 467 S CB -0.205 63.055 63.200 0.099 0.000 0.797 467 S HN 0.267 nan 8.310 nan 0.000 0.493 468 D N 2.414 122.976 120.400 0.270 0.000 2.489 468 D HA 0.122 4.762 4.640 -0.000 0.000 0.237 468 D C 0.956 177.440 176.300 0.306 0.000 1.212 468 D CA 0.053 54.229 54.000 0.294 0.000 1.058 468 D CB 0.190 41.225 40.800 0.392 0.000 1.098 468 D HN 0.592 nan 8.370 nan 0.000 0.509 469 E N 2.601 122.891 120.200 0.149 0.000 2.031 469 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 469 E C 0.163 176.798 176.600 0.058 0.000 0.994 469 E CA 0.846 57.275 56.400 0.048 0.000 0.800 469 E CB 0.357 30.063 29.700 0.009 0.000 0.752 469 E HN 0.356 nan 8.360 nan 0.000 0.447 470 K N -0.334 120.109 120.400 0.073 0.000 2.180 470 K HA 0.188 4.508 4.320 -0.000 0.000 0.251 470 K C 0.256 176.889 176.600 0.056 0.000 1.014 470 K CA 0.127 56.445 56.287 0.052 0.000 0.913 470 K CB 0.717 33.249 32.500 0.053 0.000 1.008 470 K HN 0.050 nan 8.250 nan 0.000 0.490 471 A N 1.778 124.585 122.820 -0.023 0.000 2.346 471 A HA 0.006 4.326 4.320 -0.000 0.000 0.242 471 A C 1.210 178.875 177.584 0.135 0.000 1.323 471 A CA 0.154 52.093 52.037 -0.164 0.000 0.940 471 A CB -0.878 17.981 19.000 -0.235 0.000 0.943 471 A HN 0.793 nan 8.150 nan 0.000 0.501 472 T N 1.076 115.718 114.554 0.146 0.000 2.452 472 T HA -0.131 4.219 4.350 -0.000 0.000 0.251 472 T C 1.288 176.100 174.700 0.186 0.000 1.232 472 T CA 1.881 64.070 62.100 0.149 0.000 1.226 472 T CB -0.450 68.490 68.868 0.120 0.000 0.864 472 T HN 0.797 nan 8.240 nan 0.000 0.399 473 S N 3.200 119.015 115.700 0.191 0.000 2.422 473 S HA 0.547 5.017 4.470 -0.000 0.000 0.298 473 S C -2.947 171.671 174.600 0.030 0.000 1.118 473 S CA -1.536 56.730 58.200 0.109 0.000 1.083 473 S CB 1.418 64.661 63.200 0.073 0.000 0.971 473 S HN 0.099 nan 8.310 nan 0.000 0.478 474 P HA 0.573 nan 4.420 nan 0.000 0.282 474 P C -0.839 176.244 177.300 -0.363 0.000 1.259 474 P CA -0.768 62.024 63.100 -0.514 0.000 0.826 474 P CB 0.702 32.161 31.700 -0.402 0.000 1.064 475 I N 0.709 121.009 120.570 -0.451 0.000 2.499 475 I HA 0.260 4.430 4.170 -0.000 0.000 0.288 475 I C -0.751 175.207 176.117 -0.266 0.000 1.048 475 I CA -1.146 59.983 61.300 -0.286 0.000 1.062 475 I CB 2.264 40.092 38.000 -0.287 0.000 1.238 475 I HN -0.061 nan 8.210 nan 0.000 0.426 476 V N 7.290 127.091 119.914 -0.188 0.000 2.383 476 V HA 0.345 4.465 4.120 -0.000 0.000 0.275 476 V C -1.879 174.090 176.094 -0.207 0.000 1.036 476 V CA -1.294 60.902 62.300 -0.173 0.000 0.889 476 V CB 0.952 32.700 31.823 -0.124 0.000 0.985 476 V HN 0.600 nan 8.190 nan 0.000 0.459 477 P HA 0.321 nan 4.420 nan 0.000 0.284 477 P C -0.720 176.348 177.300 -0.388 0.000 1.253 477 P CA -0.319 62.378 63.100 -0.671 0.000 0.800 477 P CB 1.593 32.498 31.700 -1.324 0.000 0.961 478 S N 1.784 117.229 115.700 -0.424 0.000 2.530 478 S HA 0.410 4.880 4.470 -0.000 0.000 0.322 478 S C 0.061 174.503 174.600 -0.262 0.000 1.085 478 S CA -0.615 57.475 58.200 -0.184 0.000 1.096 478 S CB -0.253 62.871 63.200 -0.127 0.000 0.988 478 S HN 0.216 nan 8.310 nan 0.000 0.466 479 F N 1.860 121.694 119.950 -0.194 0.000 2.773 479 F HA 0.208 4.735 4.527 -0.000 0.000 0.304 479 F C 1.333 177.083 175.800 -0.083 0.000 1.129 479 F CA -0.328 57.584 58.000 -0.146 0.000 1.378 479 F CB 0.031 38.951 39.000 -0.134 0.000 1.095 479 F HN 0.491 nan 8.300 nan 0.000 0.565 480 D N 1.943 122.373 120.400 0.050 0.000 2.402 480 D HA 0.173 4.813 4.640 -0.000 0.000 0.268 480 D C -0.171 176.131 176.300 0.004 0.000 1.294 480 D CA 0.713 54.727 54.000 0.024 0.000 0.945 480 D CB 0.208 41.008 40.800 -0.000 0.000 1.112 480 D HN 0.034 nan 8.370 nan 0.000 0.517 481 M N 1.915 121.528 119.600 0.021 0.000 2.958 481 M HA 0.116 4.596 4.480 -0.000 0.000 0.265 481 M C -1.438 174.876 176.300 0.023 0.000 0.976 481 M CA -0.539 54.767 55.300 0.010 0.000 0.792 481 M CB 1.468 34.060 32.600 -0.013 0.000 1.668 481 M HN -0.019 nan 8.290 nan 0.000 0.559 482 S N 2.507 118.217 115.700 0.016 0.000 2.681 482 S HA 0.354 4.824 4.470 -0.000 0.000 0.313 482 S C -0.015 174.601 174.600 0.026 0.000 1.137 482 S CA -0.577 57.634 58.200 0.018 0.000 1.045 482 S CB -1.013 62.194 63.200 0.011 0.000 1.208 482 S HN 0.669 nan 8.310 nan 0.000 0.523 483 N N 2.023 120.747 118.700 0.041 0.000 2.381 483 N HA 0.298 5.038 4.740 -0.000 0.000 0.289 483 N C -0.138 175.396 175.510 0.039 0.000 1.288 483 N CA -0.889 52.196 53.050 0.058 0.000 0.960 483 N CB 0.449 38.995 38.487 0.098 0.000 1.116 483 N HN 0.447 nan 8.380 nan 0.000 0.557 484 E N -1.534 118.693 120.200 0.044 0.000 3.521 484 E HA 0.310 4.660 4.350 -0.000 0.000 0.183 484 E C 0.023 176.640 176.600 0.028 0.000 0.981 484 E CA -0.858 55.560 56.400 0.030 0.000 1.349 484 E CB 0.345 30.062 29.700 0.028 0.000 1.102 484 E HN 0.885 nan 8.360 nan 0.000 0.449 485 G N 0.373 109.181 108.800 0.013 0.000 2.592 485 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.684 485 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.684 485 G C 0.055 174.962 174.900 0.013 0.000 1.291 485 G CA -0.151 44.940 45.100 -0.015 0.000 0.891 485 G HN 0.079 nan 8.290 nan 0.000 0.544 486 S N -1.100 114.592 115.700 -0.013 0.000 2.648 486 S HA 0.282 4.752 4.470 -0.000 0.000 0.270 486 S C 0.131 174.984 174.600 0.421 0.000 1.080 486 S CA -0.097 58.179 58.200 0.128 0.000 1.159 486 S CB 0.453 63.692 63.200 0.066 0.000 1.091 486 S HN 0.488 nan 8.310 nan 0.000 0.605 487 Y N 1.725 122.092 120.300 0.111 0.000 2.595 487 Y HA 0.242 4.792 4.550 -0.000 0.000 0.336 487 Y C 0.935 176.938 175.900 0.172 0.000 0.996 487 Y CA -1.073 57.121 58.100 0.156 0.000 1.260 487 Y CB 0.246 38.790 38.460 0.141 0.000 1.108 487 Y HN 0.136 nan 8.280 nan 0.000 0.509 488 F N 2.489 122.510 119.950 0.119 0.000 2.176 488 F HA -0.251 4.276 4.527 -0.000 0.000 0.301 488 F C -0.121 175.551 175.800 -0.213 0.000 1.071 488 F CA 1.306 59.226 58.000 -0.133 0.000 1.289 488 F CB -0.247 38.553 39.000 -0.334 0.000 1.028 488 F HN 0.211 nan 8.300 nan 0.000 0.494 489 F N 0.000 120.032 119.950 0.137 0.000 2.286 489 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 489 F CA 0.000 58.007 58.000 0.012 0.000 1.383 489 F CB 0.000 39.054 39.000 0.091 0.000 1.145 489 F HN 0.000 nan 8.300 nan 0.000 0.574