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 3cv2_1_B DATA FIRST_RESID 9 DATA SEQUENCE DELAFTRPYG EQEKQILTAE AVEFLTELVT HFTPQRNKLL AARIQQQQDI DATA SEQUENCE DNGTLPDFIS ETASIRDADW KIRGIPADLE DRRVEITGPV ERKMVINALN DATA SEQUENCE ANVKVFMADF EDSLAPDWNK VIDGQINLRD AVNGTISYTN EAGKIYQLKP DATA SEQUENCE NPAVLICRVR GLHLPEKHVT WRGEAIPGSL FDFALYFFHN YQALLAKGSG DATA SEQUENCE PYFYLPKTQS WQEAAWWSEV FSYAEDRFNL PRGTIKATLL IETLPAVFQM DATA SEQUENCE DEILHALRDH IVGLNCGRWD YIFSYIKTLK NYPDRVLPDR QAVTMDKPFL DATA SEQUENCE NAYSRLLIKT CHKRGAFAMG GMAAFIPSKD EEHNNQVLNK VKADKSLEAN DATA SEQUENCE NGHDGTWIAH PGLADTAMAV FNDILGSRKN QLEVMREQDA PITADQLLAP DATA SEQUENCE CDGERTEEGM RANIRVAVQY IEAWISGNGX VPIYGLMEDA ATAEISRTSI DATA SEQUENCE WQWIHHQKTL SNGKPVTKAL FRQMLGEEMK VIASELGEER FSQGRFDDAA DATA SEQUENCE RLMEQITTSD ELIDFLTLPG YRLLA 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 9 D HA 0.000 nan 4.640 nan 0.000 0.175 9 D C 0.000 176.499 176.300 0.331 0.000 2.045 9 D CA 0.000 54.120 54.000 0.199 0.000 0.868 9 D CB 0.000 40.987 40.800 0.313 0.000 0.688 10 E N 0.151 120.482 120.200 0.219 0.000 2.280 10 E HA 0.831 5.328 4.350 0.245 0.000 0.261 10 E C 0.329 177.080 176.600 0.251 0.000 1.088 10 E CA -0.403 56.124 56.400 0.212 0.000 0.915 10 E CB 0.812 30.601 29.700 0.147 0.000 1.141 10 E HN 0.726 nan 8.360 nan 0.000 0.433 11 L N 0.240 121.576 121.223 0.188 0.000 2.375 11 L HA 0.640 5.127 4.340 0.245 0.000 0.271 11 L C 0.478 177.356 176.870 0.014 0.000 1.107 11 L CA -0.731 54.151 54.840 0.070 0.000 0.806 11 L CB 1.541 43.572 42.059 -0.046 0.000 1.146 11 L HN 0.756 nan 8.230 nan 0.000 0.447 12 A N 2.786 125.534 122.820 -0.119 0.000 2.330 12 A HA 0.772 5.239 4.320 0.245 0.000 0.327 12 A C -1.138 176.277 177.584 -0.282 0.000 1.155 12 A CA -0.385 51.615 52.037 -0.061 0.000 0.803 12 A CB 0.654 19.646 19.000 -0.014 0.000 1.208 12 A HN 0.496 nan 8.150 nan 0.000 0.477 13 F N 1.309 121.319 119.950 0.100 0.000 2.411 13 F HA 0.340 5.015 4.527 0.246 0.000 0.352 13 F C 1.732 177.535 175.800 0.005 0.000 1.123 13 F CA 0.028 58.081 58.000 0.088 0.000 1.044 13 F CB 2.256 41.420 39.000 0.274 0.000 1.135 13 F HN 0.685 nan 8.300 nan 0.000 0.461 14 T N -0.551 114.013 114.554 0.017 0.000 3.088 14 T HA 0.099 4.596 4.350 0.245 0.000 0.259 14 T C 0.597 175.277 174.700 -0.034 0.000 1.122 14 T CA 0.022 62.105 62.100 -0.027 0.000 1.095 14 T CB -0.168 68.650 68.868 -0.083 0.000 0.930 14 T HN 0.494 nan 8.240 nan 0.000 0.508 15 R N 1.465 121.921 120.500 -0.074 0.000 2.589 15 R HA 0.628 5.115 4.340 0.245 0.000 0.293 15 R C -3.211 173.163 176.300 0.124 0.000 0.963 15 R CA -2.396 53.674 56.100 -0.049 0.000 0.905 15 R CB 0.030 30.200 30.300 -0.217 0.000 1.144 15 R HN 0.058 nan 8.270 nan 0.000 0.459 16 P HA 0.017 nan 4.420 nan 0.000 0.269 16 P C -1.007 176.482 177.300 0.315 0.000 1.209 16 P CA -0.118 63.097 63.100 0.192 0.000 0.776 16 P CB 0.201 31.968 31.700 0.110 0.000 0.876 17 Y N 0.957 121.293 120.300 0.061 0.000 2.496 17 Y HA 0.371 5.068 4.550 0.245 0.000 0.334 17 Y C 1.565 177.505 175.900 0.066 0.000 1.080 17 Y CA 0.065 58.209 58.100 0.072 0.000 1.355 17 Y CB -0.347 38.128 38.460 0.025 0.000 1.193 17 Y HN 0.420 nan 8.280 nan 0.000 0.523 18 G N 1.900 110.808 108.800 0.181 0.000 2.583 18 G HA2 0.178 4.285 3.960 0.245 0.000 0.280 18 G HA3 0.178 4.285 3.960 0.245 0.000 0.280 18 G C 0.561 175.512 174.900 0.084 0.000 1.376 18 G CA -0.390 44.778 45.100 0.113 0.000 1.043 18 G HN 0.514 nan 8.290 nan 0.000 0.538 19 E N -0.746 119.485 120.200 0.052 0.000 2.153 19 E HA -0.115 4.382 4.350 0.245 0.000 0.194 19 E C 2.488 179.092 176.600 0.006 0.000 0.988 19 E CA 1.486 57.906 56.400 0.034 0.000 0.811 19 E CB -0.086 29.627 29.700 0.021 0.000 0.746 19 E HN 0.482 nan 8.360 nan 0.000 0.466 20 Q N 0.128 119.921 119.800 -0.012 0.000 2.046 20 Q HA -0.096 4.391 4.340 0.245 0.000 0.200 20 Q C 2.076 178.020 176.000 -0.093 0.000 0.975 20 Q CA 1.723 57.494 55.803 -0.053 0.000 0.836 20 Q CB -0.149 28.552 28.738 -0.063 0.000 0.896 20 Q HN 0.266 nan 8.270 nan 0.000 0.428 21 E N 0.690 120.820 120.200 -0.116 0.000 2.153 21 E HA -0.132 4.365 4.350 0.245 0.000 0.194 21 E C 1.602 178.061 176.600 -0.235 0.000 0.988 21 E CA 0.990 57.215 56.400 -0.292 0.000 0.811 21 E CB -0.003 29.351 29.700 -0.577 0.000 0.746 21 E HN 0.245 nan 8.360 nan 0.000 0.466 22 K N 0.193 120.578 120.400 -0.025 0.000 2.148 22 K HA -0.105 4.362 4.320 0.245 0.000 0.204 22 K C 2.071 178.701 176.600 0.051 0.000 1.050 22 K CA 0.843 57.189 56.287 0.098 0.000 0.942 22 K CB 0.065 32.637 32.500 0.121 0.000 0.724 22 K HN 0.092 nan 8.250 nan 0.000 0.446 23 Q N 0.217 120.014 119.800 -0.004 0.000 2.049 23 Q HA -0.037 4.450 4.340 0.245 0.000 0.198 23 Q C 2.113 178.088 176.000 -0.043 0.000 0.971 23 Q CA 1.034 56.822 55.803 -0.024 0.000 0.833 23 Q CB 0.130 28.828 28.738 -0.066 0.000 0.896 23 Q HN 0.279 nan 8.270 nan 0.000 0.434 24 I N -0.013 120.504 120.570 -0.089 0.000 2.628 24 I HA -0.044 4.273 4.170 0.245 0.000 0.255 24 I C 1.321 177.523 176.117 0.142 0.000 1.119 24 I CA 0.600 61.844 61.300 -0.092 0.000 1.448 24 I CB -0.397 37.509 38.000 -0.157 0.000 1.133 24 I HN 0.057 nan 8.210 nan 0.000 0.438 25 L N 2.601 123.827 121.223 0.004 0.000 2.865 25 L HA 0.129 4.616 4.340 0.245 0.000 0.233 25 L C 0.721 177.654 176.870 0.104 0.000 1.320 25 L CA -0.386 54.459 54.840 0.008 0.000 1.225 25 L CB -0.744 41.175 42.059 -0.233 0.000 1.542 25 L HN 0.223 nan 8.230 nan 0.000 0.432 26 T N -3.255 111.387 114.554 0.146 0.000 2.802 26 T HA 0.238 4.735 4.350 0.245 0.000 0.305 26 T C 1.538 176.298 174.700 0.100 0.000 1.053 26 T CA 0.021 62.210 62.100 0.148 0.000 1.058 26 T CB 1.799 70.785 68.868 0.197 0.000 0.988 26 T HN 0.328 nan 8.240 nan 0.000 0.539 27 A N 0.365 123.243 122.820 0.098 0.000 1.917 27 A HA -0.115 4.352 4.320 0.245 0.000 0.219 27 A C 2.491 180.110 177.584 0.057 0.000 1.182 27 A CA 2.130 54.214 52.037 0.079 0.000 0.633 27 A CB -1.365 17.680 19.000 0.074 0.000 0.819 27 A HN 0.934 nan 8.150 nan 0.000 0.448 28 E N -0.559 119.675 120.200 0.056 0.000 2.072 28 E HA -0.011 4.486 4.350 0.245 0.000 0.191 28 E C 2.338 178.766 176.600 -0.288 0.000 0.985 28 E CA 1.388 57.806 56.400 0.030 0.000 0.801 28 E CB -0.646 29.184 29.700 0.217 0.000 0.750 28 E HN 0.804 nan 8.360 nan 0.000 0.452 29 A N 0.174 122.685 122.820 -0.514 0.000 1.902 29 A HA -0.098 4.369 4.320 0.245 0.000 0.217 29 A C 2.549 179.980 177.584 -0.256 0.000 1.181 29 A CA 1.805 53.334 52.037 -0.846 0.000 0.623 29 A CB -0.800 17.924 19.000 -0.459 0.000 0.818 29 A HN 0.413 nan 8.150 nan 0.000 0.443 30 V N 0.061 119.950 119.914 -0.042 0.000 2.427 30 V HA -0.230 4.037 4.120 0.245 0.000 0.248 30 V C 2.362 178.522 176.094 0.111 0.000 1.051 30 V CA 2.082 64.457 62.300 0.125 0.000 1.048 30 V CB -0.814 31.143 31.823 0.224 0.000 0.666 30 V HN 0.624 nan 8.190 nan 0.000 0.456 31 E N -0.404 119.847 120.200 0.084 0.000 2.058 31 E HA -0.259 4.238 4.350 0.245 0.000 0.194 31 E C 2.075 178.761 176.600 0.143 0.000 0.997 31 E CA 1.710 58.175 56.400 0.109 0.000 0.801 31 E CB -0.251 29.516 29.700 0.112 0.000 0.746 31 E HN 0.602 nan 8.360 nan 0.000 0.450 32 F N 1.631 121.570 119.950 -0.020 0.000 2.102 32 F HA -0.171 4.503 4.527 0.246 0.000 0.298 32 F C 2.117 177.956 175.800 0.065 0.000 1.105 32 F CA 0.947 58.983 58.000 0.062 0.000 1.239 32 F CB -0.457 38.600 39.000 0.095 0.000 0.991 32 F HN -0.019 nan 8.300 nan 0.000 0.474 33 L N 0.376 121.506 121.223 -0.155 0.000 2.042 33 L HA -0.196 4.291 4.340 0.245 0.000 0.210 33 L C 2.234 179.004 176.870 -0.166 0.000 1.076 33 L CA 2.611 57.328 54.840 -0.206 0.000 0.749 33 L CB -1.418 40.626 42.059 -0.025 0.000 0.893 33 L HN 0.231 nan 8.230 nan 0.000 0.432 34 T N -0.583 113.928 114.554 -0.072 0.000 2.720 34 T HA -0.198 4.299 4.350 0.245 0.000 0.268 34 T C 1.690 176.286 174.700 -0.174 0.000 1.037 34 T CA 1.783 63.821 62.100 -0.104 0.000 1.144 34 T CB -0.257 68.615 68.868 0.007 0.000 0.864 34 T HN 0.491 nan 8.240 nan 0.000 0.444 35 E N 0.718 120.860 120.200 -0.096 0.000 2.077 35 E HA -0.048 4.449 4.350 0.245 0.000 0.193 35 E C 2.255 178.715 176.600 -0.233 0.000 0.989 35 E CA 0.841 57.209 56.400 -0.053 0.000 0.800 35 E CB -0.291 29.458 29.700 0.082 0.000 0.746 35 E HN 0.405 nan 8.360 nan 0.000 0.452 36 L N 0.480 121.492 121.223 -0.352 0.000 2.046 36 L HA -0.185 4.302 4.340 0.245 0.000 0.208 36 L C 2.494 179.227 176.870 -0.229 0.000 1.077 36 L CA 0.773 55.440 54.840 -0.289 0.000 0.747 36 L CB -0.440 41.436 42.059 -0.306 0.000 0.896 36 L HN 0.073 nan 8.230 nan 0.000 0.432 37 V N 0.021 119.740 119.914 -0.325 0.000 2.295 37 V HA -0.289 3.978 4.120 0.245 0.000 0.246 37 V C 2.784 178.384 176.094 -0.824 0.000 1.049 37 V CA 2.414 64.430 62.300 -0.474 0.000 1.024 37 V CB -0.890 30.617 31.823 -0.526 0.000 0.648 37 V HN 0.697 nan 8.190 nan 0.000 0.447 38 T N -2.181 111.870 114.554 -0.837 0.000 2.821 38 T HA -0.235 4.262 4.350 0.245 0.000 0.267 38 T C 1.740 176.095 174.700 -0.575 0.000 1.046 38 T CA 1.824 63.425 62.100 -0.833 0.000 1.139 38 T CB -0.525 68.075 68.868 -0.447 0.000 0.871 38 T HN 0.568 nan 8.240 nan 0.000 0.454 39 H N -0.116 118.549 119.070 -0.675 0.000 2.428 39 H HA 0.262 4.965 4.556 0.245 0.000 0.296 39 H C 0.944 175.646 175.328 -1.043 0.000 1.062 39 H CA 1.367 56.838 56.048 -0.962 0.000 1.350 39 H CB -0.079 28.744 29.762 -1.566 0.000 1.403 39 H HN 0.465 nan 8.280 nan 0.000 0.533 40 F N -2.179 117.655 119.950 -0.193 0.000 2.767 40 F HA 0.166 4.840 4.527 0.244 0.000 0.323 40 F C 1.920 177.799 175.800 0.131 0.000 1.091 40 F CA 0.074 58.029 58.000 -0.075 0.000 1.192 40 F CB 0.128 38.904 39.000 -0.373 0.000 1.056 40 F HN -0.086 nan 8.300 nan 0.000 0.571 41 T N 1.269 115.869 114.554 0.077 0.000 2.812 41 T HA -0.056 4.441 4.350 0.245 0.000 0.264 41 T C -0.612 174.163 174.700 0.124 0.000 1.042 41 T CA 1.333 63.490 62.100 0.096 0.000 1.140 41 T CB -0.960 67.919 68.868 0.018 0.000 0.870 41 T HN 0.042 nan 8.240 nan 0.000 0.445 42 P HA -0.103 nan 4.420 nan 0.000 0.215 42 P C 1.886 179.218 177.300 0.054 0.000 1.157 42 P CA 1.923 65.087 63.100 0.106 0.000 0.874 42 P CB -0.232 31.528 31.700 0.100 0.000 0.790 43 Q N 0.475 120.335 119.800 0.100 0.000 2.124 43 Q HA -0.204 4.283 4.340 0.245 0.000 0.202 43 Q C 2.343 178.275 176.000 -0.113 0.000 0.977 43 Q CA 1.752 57.604 55.803 0.081 0.000 0.850 43 Q CB -1.504 27.408 28.738 0.290 0.000 0.901 43 Q HN 0.084 nan 8.270 nan 0.000 0.429 44 R N 0.679 121.072 120.500 -0.178 0.000 2.081 44 R HA -0.139 4.348 4.340 0.245 0.000 0.235 44 R C 1.521 177.624 176.300 -0.327 0.000 1.131 44 R CA 1.897 57.654 56.100 -0.571 0.000 0.960 44 R CB -0.586 29.372 30.300 -0.569 0.000 0.856 44 R HN 0.574 nan 8.270 nan 0.000 0.436 45 N N 1.170 119.778 118.700 -0.153 0.000 2.188 45 N HA -0.110 4.777 4.740 0.245 0.000 0.184 45 N C 1.655 177.102 175.510 -0.105 0.000 1.018 45 N CA 1.221 54.209 53.050 -0.103 0.000 0.858 45 N CB -0.131 38.335 38.487 -0.036 0.000 0.989 45 N HN 0.334 nan 8.380 nan 0.000 0.426 46 K N 0.647 120.987 120.400 -0.100 0.000 2.057 46 K HA 0.003 4.470 4.320 0.245 0.000 0.207 46 K C 2.063 178.583 176.600 -0.133 0.000 1.049 46 K CA 0.692 56.922 56.287 -0.094 0.000 0.931 46 K CB -0.153 32.306 32.500 -0.069 0.000 0.714 46 K HN 0.114 nan 8.250 nan 0.000 0.440 47 L N 0.881 121.984 121.223 -0.201 0.000 2.046 47 L HA -0.194 4.293 4.340 0.245 0.000 0.208 47 L C 2.271 179.030 176.870 -0.184 0.000 1.077 47 L CA 1.075 55.776 54.840 -0.232 0.000 0.747 47 L CB -0.436 41.403 42.059 -0.367 0.000 0.896 47 L HN 0.182 nan 8.230 nan 0.000 0.432 48 L N -0.508 120.610 121.223 -0.176 0.000 2.083 48 L HA -0.197 4.290 4.340 0.245 0.000 0.209 48 L C 2.856 179.677 176.870 -0.082 0.000 1.083 48 L CA 1.125 55.898 54.840 -0.112 0.000 0.752 48 L CB -0.751 41.253 42.059 -0.092 0.000 0.899 48 L HN 0.255 nan 8.230 nan 0.000 0.433 49 A N 0.034 122.804 122.820 -0.083 0.000 1.930 49 A HA -0.110 4.357 4.320 0.245 0.000 0.217 49 A C 2.534 180.075 177.584 -0.070 0.000 1.175 49 A CA 1.523 53.520 52.037 -0.067 0.000 0.627 49 A CB -0.573 18.391 19.000 -0.060 0.000 0.815 49 A HN 0.389 nan 8.150 nan 0.000 0.443 50 A N -0.104 122.664 122.820 -0.086 0.000 1.972 50 A HA -0.153 4.314 4.320 0.245 0.000 0.219 50 A C 2.197 179.732 177.584 -0.082 0.000 1.169 50 A CA 1.436 53.421 52.037 -0.087 0.000 0.635 50 A CB -0.448 18.485 19.000 -0.112 0.000 0.810 50 A HN 0.555 nan 8.150 nan 0.000 0.446 51 R N -0.468 119.982 120.500 -0.084 0.000 2.105 51 R HA -0.087 4.400 4.340 0.245 0.000 0.239 51 R C 1.931 178.188 176.300 -0.072 0.000 1.135 51 R CA 1.625 57.681 56.100 -0.075 0.000 0.967 51 R CB -0.511 29.750 30.300 -0.065 0.000 0.861 51 R HN 0.590 nan 8.270 nan 0.000 0.442 52 I N 0.419 120.950 120.570 -0.066 0.000 2.179 52 I HA -0.300 4.017 4.170 0.245 0.000 0.242 52 I C 2.635 178.716 176.117 -0.060 0.000 1.088 52 I CA 1.254 62.516 61.300 -0.064 0.000 1.357 52 I CB -0.275 37.693 38.000 -0.054 0.000 1.051 52 I HN 0.147 nan 8.210 nan 0.000 0.409 53 Q N 0.717 120.484 119.800 -0.055 0.000 2.084 53 Q HA -0.221 4.266 4.340 0.245 0.000 0.202 53 Q C 2.214 178.184 176.000 -0.049 0.000 0.978 53 Q CA 1.660 57.434 55.803 -0.048 0.000 0.844 53 Q CB -0.129 28.583 28.738 -0.044 0.000 0.898 53 Q HN 0.365 nan 8.270 nan 0.000 0.426 54 Q N -0.224 119.542 119.800 -0.056 0.000 2.124 54 Q HA -0.187 4.300 4.340 0.245 0.000 0.202 54 Q C 1.969 177.933 176.000 -0.061 0.000 0.977 54 Q CA 1.701 57.470 55.803 -0.056 0.000 0.850 54 Q CB -0.312 28.390 28.738 -0.060 0.000 0.901 54 Q HN 0.451 nan 8.270 nan 0.000 0.429 55 Q N 0.971 120.729 119.800 -0.070 0.000 2.119 55 Q HA -0.127 4.360 4.340 0.245 0.000 0.201 55 Q C 1.903 177.868 176.000 -0.057 0.000 0.972 55 Q CA 1.543 57.300 55.803 -0.077 0.000 0.847 55 Q CB -0.036 28.641 28.738 -0.103 0.000 0.903 55 Q HN 0.409 nan 8.270 nan 0.000 0.433 56 Q N -0.113 119.656 119.800 -0.052 0.000 2.096 56 Q HA -0.180 4.307 4.340 0.245 0.000 0.204 56 Q C 1.563 177.545 176.000 -0.029 0.000 0.982 56 Q CA 1.477 57.256 55.803 -0.040 0.000 0.850 56 Q CB -0.071 28.643 28.738 -0.038 0.000 0.901 56 Q HN 0.470 nan 8.270 nan 0.000 0.422 57 D N 0.433 120.815 120.400 -0.030 0.000 2.149 57 D HA -0.143 4.644 4.640 0.245 0.000 0.198 57 D C 1.781 178.077 176.300 -0.007 0.000 0.990 57 D CA 1.022 55.009 54.000 -0.022 0.000 0.839 57 D CB -0.122 40.660 40.800 -0.030 0.000 0.948 57 D HN 0.284 nan 8.370 nan 0.000 0.460 58 I N 0.914 121.480 120.570 -0.007 0.000 2.233 58 I HA -0.208 4.109 4.170 0.245 0.000 0.243 58 I C 1.822 178.014 176.117 0.124 0.000 1.093 58 I CA 0.905 62.231 61.300 0.044 0.000 1.380 58 I CB -0.129 37.866 38.000 -0.009 0.000 1.067 58 I HN -0.164 nan 8.210 nan 0.000 0.413 59 D N 1.031 121.457 120.400 0.043 0.000 2.149 59 D HA -0.159 4.628 4.640 0.245 0.000 0.198 59 D C 1.601 177.868 176.300 -0.055 0.000 0.990 59 D CA 1.154 55.152 54.000 -0.004 0.000 0.839 59 D CB -0.413 40.371 40.800 -0.025 0.000 0.948 59 D HN 0.285 nan 8.370 nan 0.000 0.460 60 N N -0.633 118.051 118.700 -0.027 0.000 2.461 60 N HA 0.105 4.992 4.740 0.245 0.000 0.188 60 N C 1.236 176.729 175.510 -0.030 0.000 1.134 60 N CA 0.881 53.910 53.050 -0.036 0.000 0.878 60 N CB 1.090 39.564 38.487 -0.023 0.000 0.972 60 N HN 0.290 nan 8.380 nan 0.000 0.456 61 G N -0.895 107.909 108.800 0.007 0.000 2.205 61 G HA2 -0.194 3.913 3.960 0.245 0.000 0.180 61 G HA3 -0.194 3.913 3.960 0.245 0.000 0.180 61 G C -0.118 174.856 174.900 0.123 0.000 1.004 61 G CA -0.239 44.894 45.100 0.055 0.000 0.670 61 G HN 0.256 nan 8.290 nan 0.000 0.496 62 T N 2.627 117.229 114.554 0.081 0.000 2.762 62 T HA 0.597 5.094 4.350 0.245 0.000 0.303 62 T C 0.771 175.461 174.700 -0.016 0.000 0.977 62 T CA -0.285 61.828 62.100 0.022 0.000 0.961 62 T CB 1.281 70.140 68.868 -0.014 0.000 0.944 62 T HN 0.320 nan 8.240 nan 0.000 0.481 63 L N 4.714 125.896 121.223 -0.069 0.000 2.467 63 L HA 0.275 4.762 4.340 0.245 0.000 0.270 63 L C -1.622 175.072 176.870 -0.293 0.000 1.205 63 L CA -1.927 52.779 54.840 -0.223 0.000 0.828 63 L CB -0.047 41.845 42.059 -0.279 0.000 1.101 63 L HN 0.341 nan 8.230 nan 0.000 0.479 64 P HA 0.121 nan 4.420 nan 0.000 0.267 64 P C -1.098 175.584 177.300 -1.031 0.000 1.200 64 P CA 0.027 62.715 63.100 -0.687 0.000 0.772 64 P CB 0.670 31.919 31.700 -0.753 0.000 0.855 65 D N 0.036 119.819 120.400 -1.030 0.000 2.692 65 D HA 0.334 5.121 4.640 0.245 0.000 0.303 65 D C -0.804 175.170 176.300 -0.543 0.000 1.278 65 D CA -0.595 52.895 54.000 -0.850 0.000 0.852 65 D CB 0.711 41.343 40.800 -0.280 0.000 1.375 65 D HN 0.007 nan 8.370 nan 0.000 0.453 66 F N 0.626 120.625 119.950 0.082 0.000 2.545 66 F HA 0.258 4.933 4.527 0.248 0.000 0.348 66 F C 1.219 177.069 175.800 0.083 0.000 1.163 66 F CA 0.006 58.108 58.000 0.170 0.000 1.331 66 F CB 0.172 39.282 39.000 0.183 0.000 1.138 66 F HN 0.085 nan 8.300 nan 0.000 0.602 67 I N 1.633 122.381 120.570 0.297 0.000 2.496 67 I HA 0.017 4.334 4.170 0.245 0.000 0.285 67 I C 1.022 177.227 176.117 0.147 0.000 1.080 67 I CA 0.157 61.569 61.300 0.187 0.000 1.404 67 I CB 1.069 39.188 38.000 0.198 0.000 1.403 67 I HN 0.683 nan 8.210 nan 0.000 0.539 68 S N 3.975 119.738 115.700 0.105 0.000 2.338 68 S HA -0.177 4.440 4.470 0.245 0.000 0.218 68 S C 2.253 176.886 174.600 0.055 0.000 1.032 68 S CA 1.527 59.772 58.200 0.076 0.000 0.999 68 S CB -0.307 62.928 63.200 0.058 0.000 0.905 68 S HN 0.849 nan 8.310 nan 0.000 0.439 69 E N 1.168 121.400 120.200 0.053 0.000 2.268 69 E HA -0.121 4.376 4.350 0.245 0.000 0.195 69 E C 1.816 178.414 176.600 -0.004 0.000 0.995 69 E CA 1.533 57.951 56.400 0.030 0.000 0.836 69 E CB -1.296 28.430 29.700 0.043 0.000 0.763 69 E HN 0.754 nan 8.360 nan 0.000 0.491 70 T N -3.251 111.297 114.554 -0.011 0.000 3.188 70 T HA 0.592 5.089 4.350 0.245 0.000 0.250 70 T C 2.007 176.678 174.700 -0.047 0.000 1.077 70 T CA 0.682 62.735 62.100 -0.078 0.000 0.967 70 T CB 0.565 69.347 68.868 -0.144 0.000 1.006 70 T HN 0.455 nan 8.240 nan 0.000 0.552 71 A N 2.657 125.471 122.820 -0.011 0.000 1.958 71 A HA -0.159 4.308 4.320 0.245 0.000 0.221 71 A C 2.678 180.251 177.584 -0.018 0.000 1.178 71 A CA 2.288 54.321 52.037 -0.007 0.000 0.642 71 A CB -1.255 17.746 19.000 0.001 0.000 0.816 71 A HN 0.795 nan 8.150 nan 0.000 0.453 72 S N -0.056 115.625 115.700 -0.032 0.000 2.382 72 S HA -0.127 4.490 4.470 0.245 0.000 0.228 72 S C 1.841 176.428 174.600 -0.023 0.000 1.027 72 S CA 1.417 59.600 58.200 -0.029 0.000 0.991 72 S CB -0.752 62.422 63.200 -0.043 0.000 0.823 72 S HN 0.512 nan 8.310 nan 0.000 0.469 73 I N 1.757 122.280 120.570 -0.079 0.000 2.252 73 I HA -0.143 4.174 4.170 0.245 0.000 0.245 73 I C 3.030 179.259 176.117 0.187 0.000 1.102 73 I CA 1.272 62.527 61.300 -0.075 0.000 1.385 73 I CB -0.281 37.527 38.000 -0.320 0.000 1.064 73 I HN 0.253 nan 8.210 nan 0.000 0.414 74 R N 0.393 120.943 120.500 0.082 0.000 2.115 74 R HA -0.099 4.388 4.340 0.245 0.000 0.230 74 R C 0.975 177.288 176.300 0.022 0.000 1.111 74 R CA 1.065 57.206 56.100 0.067 0.000 0.976 74 R CB -0.189 30.111 30.300 0.001 0.000 0.870 74 R HN 0.423 nan 8.270 nan 0.000 0.445 75 D N 0.054 120.468 120.400 0.023 0.000 2.369 75 D HA 0.140 4.927 4.640 0.245 0.000 0.211 75 D C -0.072 176.243 176.300 0.025 0.000 1.077 75 D CA 0.080 54.079 54.000 -0.002 0.000 0.842 75 D CB 0.713 41.506 40.800 -0.013 0.000 0.947 75 D HN 0.131 nan 8.370 nan 0.000 0.509 76 A N 0.822 123.700 122.820 0.096 0.000 2.293 76 A HA 0.309 4.776 4.320 0.245 0.000 0.302 76 A C -0.137 177.515 177.584 0.114 0.000 1.119 76 A CA -0.524 51.605 52.037 0.153 0.000 0.823 76 A CB 0.928 20.083 19.000 0.258 0.000 1.097 76 A HN -0.145 nan 8.150 nan 0.000 0.491 77 D N 2.232 122.690 120.400 0.096 0.000 2.264 77 D HA 0.523 5.310 4.640 0.245 0.000 0.250 77 D C -0.289 176.112 176.300 0.169 0.000 1.113 77 D CA 0.753 54.757 54.000 0.006 0.000 0.871 77 D CB 0.628 41.433 40.800 0.008 0.000 1.167 77 D HN 0.619 nan 8.370 nan 0.000 0.447 78 W N -0.145 121.173 121.300 0.029 0.000 3.189 78 W HA 0.365 5.172 4.660 0.244 0.000 0.314 78 W C -1.546 175.002 176.519 0.049 0.000 1.204 78 W CA -0.838 56.535 57.345 0.047 0.000 1.171 78 W CB 0.645 30.155 29.460 0.083 0.000 1.394 78 W HN 0.049 nan 8.180 nan 0.000 0.568 79 K N 1.983 122.580 120.400 0.329 0.000 2.444 79 K HA 0.551 5.018 4.320 0.245 0.000 0.252 79 K C 0.284 177.092 176.600 0.347 0.000 0.993 79 K CA -1.003 55.395 56.287 0.185 0.000 0.847 79 K CB 3.209 35.755 32.500 0.077 0.000 1.340 79 K HN 0.566 nan 8.250 nan 0.000 0.446 80 I N -1.629 119.093 120.570 0.252 0.000 3.246 80 I HA 0.055 4.372 4.170 0.245 0.000 0.280 80 I C 1.572 177.766 176.117 0.127 0.000 1.239 80 I CA -0.201 61.227 61.300 0.213 0.000 1.336 80 I CB 0.522 38.623 38.000 0.167 0.000 1.383 80 I HN 0.675 nan 8.210 nan 0.000 0.617 81 R N 2.172 122.717 120.500 0.075 0.000 2.075 81 R HA 0.162 4.649 4.340 0.245 0.000 0.232 81 R C 0.672 176.993 176.300 0.035 0.000 1.126 81 R CA 1.177 57.297 56.100 0.035 0.000 0.963 81 R CB -0.152 30.138 30.300 -0.017 0.000 0.858 81 R HN 1.051 nan 8.270 nan 0.000 0.435 82 G N -0.941 107.879 108.800 0.034 0.000 2.325 82 G HA2 0.302 4.409 3.960 0.245 0.000 0.297 82 G HA3 0.302 4.409 3.960 0.245 0.000 0.297 82 G C -1.676 173.231 174.900 0.012 0.000 1.448 82 G CA -0.857 44.261 45.100 0.030 0.000 0.838 82 G HN 0.074 nan 8.290 nan 0.000 0.579 83 I N 1.451 122.024 120.570 0.006 0.000 2.447 83 I HA 0.327 4.644 4.170 0.245 0.000 0.287 83 I C -2.206 173.886 176.117 -0.041 0.000 1.023 83 I CA -1.901 59.372 61.300 -0.045 0.000 1.083 83 I CB 2.425 40.411 38.000 -0.022 0.000 1.245 83 I HN 0.185 nan 8.210 nan 0.000 0.434 84 P HA 0.076 nan 4.420 nan 0.000 0.267 84 P C 0.675 177.965 177.300 -0.017 0.000 1.200 84 P CA -0.099 62.994 63.100 -0.012 0.000 0.772 84 P CB 0.873 32.592 31.700 0.030 0.000 0.855 85 A N 2.907 125.739 122.820 0.019 0.000 1.948 85 A HA -0.227 4.240 4.320 0.245 0.000 0.220 85 A C 1.571 179.165 177.584 0.017 0.000 1.177 85 A CA 2.163 54.213 52.037 0.022 0.000 0.636 85 A CB -1.168 17.850 19.000 0.030 0.000 0.815 85 A HN 0.699 nan 8.150 nan 0.000 0.449 86 D N -0.703 119.716 120.400 0.032 0.000 2.349 86 D HA 0.049 4.836 4.640 0.245 0.000 0.224 86 D C 0.884 177.173 176.300 -0.018 0.000 1.029 86 D CA 0.326 54.351 54.000 0.041 0.000 0.879 86 D CB -0.323 40.535 40.800 0.097 0.000 0.906 86 D HN 0.469 nan 8.370 nan 0.000 0.528 87 L N -0.162 120.988 121.223 -0.121 0.000 3.014 87 L HA 0.282 4.769 4.340 0.245 0.000 0.263 87 L C 1.456 178.131 176.870 -0.325 0.000 1.207 87 L CA -0.145 54.522 54.840 -0.288 0.000 1.017 87 L CB 0.353 42.112 42.059 -0.500 0.000 1.360 87 L HN -0.131 nan 8.230 nan 0.000 0.560 88 E N 0.056 120.211 120.200 -0.075 0.000 2.285 88 E HA -0.077 4.420 4.350 0.245 0.000 0.194 88 E C 0.226 176.996 176.600 0.284 0.000 0.997 88 E CA 0.523 57.001 56.400 0.129 0.000 0.845 88 E CB 0.406 30.172 29.700 0.111 0.000 0.782 88 E HN 0.170 nan 8.360 nan 0.000 0.491 89 D N -0.047 120.444 120.400 0.151 0.000 2.469 89 D HA 0.176 4.963 4.640 0.245 0.000 0.251 89 D C -0.592 175.788 176.300 0.133 0.000 1.173 89 D CA -0.402 53.704 54.000 0.176 0.000 0.882 89 D CB 0.579 41.446 40.800 0.111 0.000 1.129 89 D HN -0.133 nan 8.370 nan 0.000 0.549 90 R N 2.845 123.468 120.500 0.206 0.000 2.698 90 R HA 0.160 4.647 4.340 0.245 0.000 0.422 90 R C 1.666 178.016 176.300 0.083 0.000 1.073 90 R CA -0.202 55.977 56.100 0.132 0.000 1.054 90 R CB 0.746 31.117 30.300 0.119 0.000 1.373 90 R HN 0.322 nan 8.270 nan 0.000 0.593 91 R N -0.744 119.779 120.500 0.038 0.000 2.120 91 R HA 0.011 4.498 4.340 0.245 0.000 0.234 91 R C 0.292 176.418 176.300 -0.291 0.000 1.123 91 R CA 0.980 57.006 56.100 -0.123 0.000 0.975 91 R CB 0.049 30.366 30.300 0.029 0.000 0.866 91 R HN -0.077 nan 8.270 nan 0.000 0.446 92 V N 1.526 121.385 119.914 -0.092 0.000 2.760 92 V HA 0.288 4.555 4.120 0.245 0.000 0.309 92 V C -0.981 175.131 176.094 0.029 0.000 1.077 92 V CA -0.951 61.319 62.300 -0.050 0.000 0.910 92 V CB 2.098 33.917 31.823 -0.007 0.000 1.008 92 V HN 0.220 nan 8.190 nan 0.000 0.424 93 E N 3.878 124.122 120.200 0.073 0.000 2.210 93 E HA 0.579 5.076 4.350 0.245 0.000 0.266 93 E C -0.986 175.561 176.600 -0.088 0.000 0.883 93 E CA -0.673 55.745 56.400 0.028 0.000 0.761 93 E CB 3.339 33.092 29.700 0.088 0.000 1.156 93 E HN 0.635 nan 8.360 nan 0.000 0.412 94 I N 2.181 122.705 120.570 -0.075 0.000 2.385 94 I HA 0.236 4.553 4.170 0.245 0.000 0.294 94 I C -0.188 175.835 176.117 -0.156 0.000 0.988 94 I CA -0.187 61.053 61.300 -0.099 0.000 1.265 94 I CB 1.120 39.092 38.000 -0.046 0.000 1.388 94 I HN 0.572 nan 8.210 nan 0.000 0.480 95 T N 3.063 117.445 114.554 -0.288 0.000 2.859 95 T HA 0.879 5.376 4.350 0.245 0.000 0.281 95 T C -0.220 174.441 174.700 -0.064 0.000 1.005 95 T CA -0.597 61.302 62.100 -0.335 0.000 1.025 95 T CB 1.668 70.154 68.868 -0.637 0.000 0.977 95 T HN 0.918 nan 8.240 nan 0.000 0.458 96 G N 2.038 110.886 108.800 0.080 0.000 2.632 96 G HA2 0.641 4.748 3.960 0.245 0.000 0.292 96 G HA3 0.641 4.748 3.960 0.245 0.000 0.292 96 G C -3.389 171.532 174.900 0.035 0.000 1.465 96 G CA -1.330 43.810 45.100 0.068 0.000 0.824 96 G HN 0.647 nan 8.290 nan 0.000 0.509 97 P HA 0.208 nan 4.420 nan 0.000 0.273 97 P C 1.082 178.309 177.300 -0.122 0.000 1.250 97 P CA -0.165 62.868 63.100 -0.112 0.000 0.793 97 P CB 1.217 32.857 31.700 -0.100 0.000 1.011 98 V N -2.778 116.983 119.914 -0.254 0.000 3.478 98 V HA 0.125 4.392 4.120 0.245 0.000 0.323 98 V C 0.764 176.752 176.094 -0.176 0.000 1.241 98 V CA 0.036 62.171 62.300 -0.275 0.000 1.274 98 V CB -1.363 30.090 31.823 -0.617 0.000 1.115 98 V HN 0.431 nan 8.190 nan 0.000 0.424 99 E N 1.316 121.422 120.200 -0.158 0.000 2.373 99 E HA 0.137 4.634 4.350 0.245 0.000 0.263 99 E C 1.016 177.494 176.600 -0.203 0.000 1.073 99 E CA -0.274 56.024 56.400 -0.170 0.000 0.894 99 E CB 1.311 30.899 29.700 -0.187 0.000 1.008 99 E HN 0.464 nan 8.360 nan 0.000 0.420 100 R N 3.270 123.637 120.500 -0.220 0.000 2.070 100 R HA -0.154 4.333 4.340 0.245 0.000 0.233 100 R C 2.265 178.349 176.300 -0.361 0.000 1.137 100 R CA 2.051 58.021 56.100 -0.217 0.000 0.945 100 R CB -0.091 30.136 30.300 -0.121 0.000 0.845 100 R HN 0.507 nan 8.270 nan 0.000 0.430 101 K N -0.135 119.851 120.400 -0.690 0.000 2.063 101 K HA -0.150 4.317 4.320 0.245 0.000 0.208 101 K C 2.150 178.438 176.600 -0.521 0.000 1.048 101 K CA 1.585 57.371 56.287 -0.836 0.000 0.928 101 K CB 0.013 31.749 32.500 -1.273 0.000 0.713 101 K HN 0.178 nan 8.250 nan 0.000 0.442 102 M N 0.542 119.887 119.600 -0.426 0.000 2.117 102 M HA -0.159 4.468 4.480 0.245 0.000 0.262 102 M C 2.198 178.253 176.300 -0.409 0.000 1.065 102 M CA 1.200 56.285 55.300 -0.358 0.000 1.114 102 M CB -0.387 32.051 32.600 -0.269 0.000 1.361 102 M HN 0.056 nan 8.290 nan 0.000 0.408 103 V N 0.670 120.398 119.914 -0.309 0.000 2.343 103 V HA -0.281 3.986 4.120 0.245 0.000 0.247 103 V C 2.305 178.191 176.094 -0.346 0.000 1.051 103 V CA 1.670 63.798 62.300 -0.286 0.000 1.036 103 V CB -0.546 31.269 31.823 -0.013 0.000 0.654 103 V HN 0.380 nan 8.190 nan 0.000 0.451 104 I N 0.187 120.616 120.570 -0.236 0.000 2.202 104 I HA -0.202 4.115 4.170 0.245 0.000 0.242 104 I C 2.381 178.391 176.117 -0.177 0.000 1.091 104 I CA 1.440 62.653 61.300 -0.145 0.000 1.368 104 I CB -0.532 37.442 38.000 -0.044 0.000 1.058 104 I HN 0.317 nan 8.210 nan 0.000 0.410 105 N N 1.055 119.623 118.700 -0.221 0.000 2.166 105 N HA -0.132 4.755 4.740 0.245 0.000 0.186 105 N C 1.845 177.177 175.510 -0.295 0.000 1.019 105 N CA 1.619 54.554 53.050 -0.192 0.000 0.856 105 N CB -0.332 38.034 38.487 -0.202 0.000 0.993 105 N HN 0.375 nan 8.380 nan 0.000 0.426 106 A N 0.882 123.385 122.820 -0.528 0.000 1.898 106 A HA 0.003 4.470 4.320 0.245 0.000 0.216 106 A C 2.335 179.613 177.584 -0.511 0.000 1.181 106 A CA 0.755 52.368 52.037 -0.706 0.000 0.620 106 A CB -0.690 17.356 19.000 -1.590 0.000 0.819 106 A HN 0.216 nan 8.150 nan 0.000 0.442 107 L N -0.124 120.821 121.223 -0.464 0.000 2.191 107 L HA -0.150 4.337 4.340 0.245 0.000 0.212 107 L C 1.488 178.300 176.870 -0.097 0.000 1.103 107 L CA 0.865 55.608 54.840 -0.162 0.000 0.769 107 L CB -0.414 41.604 42.059 -0.068 0.000 0.908 107 L HN 0.337 nan 8.230 nan 0.000 0.438 108 N N -0.106 118.524 118.700 -0.116 0.000 2.398 108 N HA 0.118 5.005 4.740 0.245 0.000 0.188 108 N C 0.549 176.023 175.510 -0.059 0.000 1.122 108 N CA 0.306 53.317 53.050 -0.065 0.000 0.866 108 N CB 0.092 38.551 38.487 -0.046 0.000 0.970 108 N HN 0.186 nan 8.380 nan 0.000 0.462 109 A N 0.778 123.547 122.820 -0.084 0.000 2.296 109 A HA 0.187 4.654 4.320 0.245 0.000 0.264 109 A C 0.663 178.232 177.584 -0.025 0.000 1.097 109 A CA -0.380 51.620 52.037 -0.062 0.000 0.811 109 A CB 0.072 19.018 19.000 -0.090 0.000 1.072 109 A HN 0.155 nan 8.150 nan 0.000 0.495 110 N N -0.050 118.647 118.700 -0.006 0.000 3.178 110 N HA 0.295 5.182 4.740 0.245 0.000 0.300 110 N C -0.531 174.992 175.510 0.021 0.000 1.242 110 N CA 0.449 53.507 53.050 0.012 0.000 1.192 110 N CB -0.701 37.800 38.487 0.023 0.000 1.463 110 N HN 0.739 nan 8.380 nan 0.000 0.539 111 V N -1.053 118.871 119.914 0.017 0.000 3.182 111 V HA 0.588 4.855 4.120 0.245 0.000 0.308 111 V C 0.595 176.709 176.094 0.034 0.000 1.240 111 V CA -0.836 61.480 62.300 0.026 0.000 1.063 111 V CB 1.859 33.693 31.823 0.018 0.000 1.076 111 V HN -0.102 nan 8.190 nan 0.000 0.446 112 K N 0.116 120.541 120.400 0.042 0.000 2.202 112 K HA 0.440 4.907 4.320 0.245 0.000 0.201 112 K C 0.122 176.758 176.600 0.060 0.000 1.051 112 K CA 0.960 57.277 56.287 0.049 0.000 0.977 112 K CB 0.547 33.079 32.500 0.053 0.000 0.792 112 K HN 0.576 nan 8.250 nan 0.000 0.469 113 V N 1.504 121.460 119.914 0.069 0.000 2.841 113 V HA 0.305 4.572 4.120 0.245 0.000 0.310 113 V C -1.428 174.739 176.094 0.121 0.000 1.090 113 V CA -1.101 61.253 62.300 0.090 0.000 0.930 113 V CB 2.296 34.172 31.823 0.088 0.000 1.014 113 V HN 0.061 nan 8.190 nan 0.000 0.425 114 F N 5.575 125.492 119.950 -0.054 0.000 2.402 114 F HA 0.614 5.288 4.527 0.245 0.000 0.355 114 F C -0.126 175.600 175.800 -0.123 0.000 1.123 114 F CA -1.319 56.614 58.000 -0.113 0.000 1.021 114 F CB 1.506 40.443 39.000 -0.106 0.000 1.160 114 F HN 0.536 nan 8.300 nan 0.000 0.451 115 M N 6.987 126.349 119.600 -0.397 0.000 2.151 115 M HA 0.526 5.153 4.480 0.245 0.000 0.349 115 M C -0.618 175.068 176.300 -1.023 0.000 1.284 115 M CA -0.372 54.557 55.300 -0.618 0.000 1.173 115 M CB 0.078 32.357 32.600 -0.534 0.000 1.469 115 M HN 0.802 nan 8.290 nan 0.000 0.439 116 A N 4.030 126.022 122.820 -1.380 0.000 2.450 116 A HA 0.229 4.697 4.320 0.245 0.000 0.255 116 A C -0.622 176.618 177.584 -0.574 0.000 1.096 116 A CA -0.210 51.160 52.037 -1.110 0.000 0.778 116 A CB 0.157 18.599 19.000 -0.929 0.000 1.031 116 A HN 0.785 nan 8.150 nan 0.000 0.494 117 D N 1.676 121.816 120.400 -0.434 0.000 2.381 117 D HA 0.516 5.303 4.640 0.245 0.000 0.235 117 D C -0.367 175.752 176.300 -0.302 0.000 1.068 117 D CA -0.289 53.557 54.000 -0.257 0.000 0.832 117 D CB 0.484 41.190 40.800 -0.156 0.000 1.101 117 D HN 0.315 nan 8.370 nan 0.000 0.515 118 F N 1.419 121.376 119.950 0.012 0.000 2.727 118 F HA 0.221 4.894 4.527 0.244 0.000 0.302 118 F C 1.683 177.534 175.800 0.085 0.000 1.097 118 F CA -0.098 57.937 58.000 0.058 0.000 1.330 118 F CB 0.434 39.497 39.000 0.106 0.000 1.084 118 F HN 0.383 nan 8.300 nan 0.000 0.578 119 E N 0.281 120.618 120.200 0.227 0.000 3.686 119 E HA 0.014 4.511 4.350 0.245 0.000 0.357 119 E C 0.795 177.521 176.600 0.209 0.000 0.562 119 E CA 0.057 56.588 56.400 0.219 0.000 2.008 119 E CB 0.056 29.890 29.700 0.223 0.000 2.161 119 E HN -0.091 nan 8.360 nan 0.000 0.464 120 D N 0.382 120.907 120.400 0.210 0.000 2.218 120 D HA -0.114 4.673 4.640 0.245 0.000 0.204 120 D C 1.722 178.167 176.300 0.242 0.000 0.976 120 D CA 1.387 55.530 54.000 0.237 0.000 0.853 120 D CB -0.073 40.850 40.800 0.204 0.000 0.939 120 D HN 0.172 nan 8.370 nan 0.000 0.481 121 S N -0.878 114.916 115.700 0.156 0.000 2.593 121 S HA 0.091 4.708 4.470 0.245 0.000 0.217 121 S C 0.456 175.112 174.600 0.093 0.000 0.966 121 S CA -0.510 57.767 58.200 0.128 0.000 0.914 121 S CB 0.114 63.342 63.200 0.046 0.000 0.776 121 S HN 0.077 nan 8.310 nan 0.000 0.523 122 L N 2.194 123.476 121.223 0.097 0.000 2.322 122 L HA 0.779 5.266 4.340 0.245 0.000 0.281 122 L C -0.282 176.568 176.870 -0.033 0.000 1.014 122 L CA -0.691 54.158 54.840 0.015 0.000 0.815 122 L CB 1.443 43.512 42.059 0.017 0.000 1.247 122 L HN 0.155 nan 8.230 nan 0.000 0.421 123 A N 6.796 129.451 122.820 -0.274 0.000 2.347 123 A HA 0.575 5.042 4.320 0.245 0.000 0.287 123 A C -2.140 175.210 177.584 -0.390 0.000 1.199 123 A CA -1.176 50.419 52.037 -0.738 0.000 0.851 123 A CB -0.281 18.144 19.000 -0.958 0.000 1.118 123 A HN 0.593 nan 8.150 nan 0.000 0.525 124 P HA 0.087 nan 4.420 nan 0.000 0.225 124 P C -0.698 176.676 177.300 0.123 0.000 1.768 124 P CA -0.147 62.966 63.100 0.021 0.000 0.943 124 P CB -0.094 31.661 31.700 0.092 0.000 1.936 125 D N 0.148 120.548 120.400 0.001 0.000 2.399 125 D HA -0.076 4.711 4.640 0.245 0.000 0.241 125 D C 1.198 177.561 176.300 0.106 0.000 1.133 125 D CA -0.181 53.856 54.000 0.061 0.000 0.890 125 D CB 0.797 41.578 40.800 -0.031 0.000 1.201 125 D HN 0.272 nan 8.370 nan 0.000 0.432 126 W N 3.602 124.814 121.300 -0.146 0.000 2.318 126 W HA -0.255 4.551 4.660 0.244 0.000 0.313 126 W C 1.199 177.654 176.519 -0.107 0.000 1.221 126 W CA 0.854 58.045 57.345 -0.257 0.000 1.266 126 W CB 0.016 29.056 29.460 -0.701 0.000 1.150 126 W HN 0.384 nan 8.180 nan 0.000 0.496 127 N N 0.726 119.392 118.700 -0.056 0.000 2.166 127 N HA -0.163 4.724 4.740 0.245 0.000 0.186 127 N C 1.592 177.024 175.510 -0.130 0.000 1.019 127 N CA 1.760 54.739 53.050 -0.118 0.000 0.856 127 N CB -0.601 37.876 38.487 -0.018 0.000 0.993 127 N HN 0.305 nan 8.380 nan 0.000 0.426 128 K N 0.452 120.805 120.400 -0.079 0.000 2.103 128 K HA -0.031 4.436 4.320 0.245 0.000 0.204 128 K C 2.060 178.665 176.600 0.008 0.000 1.052 128 K CA 0.858 57.116 56.287 -0.049 0.000 0.945 128 K CB -0.012 32.459 32.500 -0.049 0.000 0.722 128 K HN 0.131 nan 8.250 nan 0.000 0.443 129 V N -0.593 119.328 119.914 0.012 0.000 2.358 129 V HA -0.191 4.076 4.120 0.245 0.000 0.246 129 V C 1.991 178.125 176.094 0.066 0.000 1.047 129 V CA 1.291 63.682 62.300 0.152 0.000 1.035 129 V CB -0.539 31.338 31.823 0.090 0.000 0.658 129 V HN 0.103 nan 8.190 nan 0.000 0.452 130 I N 1.115 121.542 120.570 -0.240 0.000 2.202 130 I HA -0.152 4.165 4.170 0.245 0.000 0.242 130 I C 2.464 178.521 176.117 -0.100 0.000 1.091 130 I CA 2.019 63.166 61.300 -0.254 0.000 1.368 130 I CB -1.385 36.319 38.000 -0.493 0.000 1.058 130 I HN 0.331 nan 8.210 nan 0.000 0.410 131 D N 1.018 121.365 120.400 -0.088 0.000 2.182 131 D HA -0.122 4.665 4.640 0.245 0.000 0.201 131 D C 2.246 178.547 176.300 0.002 0.000 0.986 131 D CA 1.426 55.398 54.000 -0.047 0.000 0.847 131 D CB -0.432 40.337 40.800 -0.053 0.000 0.942 131 D HN 0.377 nan 8.370 nan 0.000 0.467 132 G N 0.547 109.388 108.800 0.069 0.000 2.418 132 G HA2 -0.265 3.842 3.960 0.245 0.000 0.217 132 G HA3 -0.265 3.842 3.960 0.245 0.000 0.217 132 G C 1.554 176.596 174.900 0.236 0.000 1.158 132 G CA 0.446 45.607 45.100 0.101 0.000 0.771 132 G HN 0.185 nan 8.290 nan 0.000 0.545 133 Q N 0.074 120.052 119.800 0.296 0.000 2.084 133 Q HA -0.025 4.462 4.340 0.245 0.000 0.202 133 Q C 2.752 178.781 176.000 0.047 0.000 0.978 133 Q CA 0.624 56.551 55.803 0.205 0.000 0.844 133 Q CB -0.309 28.467 28.738 0.064 0.000 0.898 133 Q HN 0.428 nan 8.270 nan 0.000 0.426 134 I N 1.713 122.272 120.570 -0.017 0.000 2.163 134 I HA -0.264 4.053 4.170 0.245 0.000 0.243 134 I C 1.746 177.851 176.117 -0.020 0.000 1.085 134 I CA 1.145 62.410 61.300 -0.058 0.000 1.347 134 I CB -1.044 36.920 38.000 -0.060 0.000 1.044 134 I HN 0.228 nan 8.210 nan 0.000 0.408 135 N N 1.040 119.743 118.700 0.004 0.000 2.120 135 N HA -0.111 4.776 4.740 0.245 0.000 0.188 135 N C 2.016 177.546 175.510 0.033 0.000 1.024 135 N CA 1.073 54.126 53.050 0.004 0.000 0.852 135 N CB -0.424 38.052 38.487 -0.018 0.000 1.003 135 N HN 0.343 nan 8.380 nan 0.000 0.424 136 L N 0.726 121.996 121.223 0.077 0.000 2.093 136 L HA -0.054 4.433 4.340 0.245 0.000 0.208 136 L C 2.611 179.546 176.870 0.108 0.000 1.085 136 L CA 0.790 55.711 54.840 0.135 0.000 0.755 136 L CB -0.331 41.881 42.059 0.256 0.000 0.904 136 L HN 0.195 nan 8.230 nan 0.000 0.435 137 R N 0.536 121.064 120.500 0.047 0.000 2.073 137 R HA -0.181 4.306 4.340 0.245 0.000 0.234 137 R C 1.783 178.058 176.300 -0.041 0.000 1.134 137 R CA 1.985 58.065 56.100 -0.033 0.000 0.952 137 R CB -0.157 30.086 30.300 -0.095 0.000 0.850 137 R HN 0.260 nan 8.270 nan 0.000 0.433 138 D N 0.494 120.878 120.400 -0.028 0.000 2.178 138 D HA -0.122 4.665 4.640 0.245 0.000 0.201 138 D C 1.737 178.029 176.300 -0.013 0.000 0.980 138 D CA 1.470 55.454 54.000 -0.025 0.000 0.842 138 D CB -0.213 40.577 40.800 -0.016 0.000 0.948 138 D HN 0.451 nan 8.370 nan 0.000 0.472 139 A N 0.579 123.404 122.820 0.009 0.000 1.873 139 A HA -0.113 4.354 4.320 0.245 0.000 0.215 139 A C 2.527 180.115 177.584 0.006 0.000 1.186 139 A CA 1.062 53.112 52.037 0.022 0.000 0.616 139 A CB -0.774 18.263 19.000 0.063 0.000 0.823 139 A HN 0.131 nan 8.150 nan 0.000 0.442 140 V N 1.223 121.136 119.914 -0.002 0.000 2.332 140 V HA -0.251 4.016 4.120 0.245 0.000 0.248 140 V C 1.937 177.987 176.094 -0.074 0.000 1.055 140 V CA 2.150 64.422 62.300 -0.047 0.000 1.038 140 V CB -0.930 30.835 31.823 -0.096 0.000 0.651 140 V HN 0.550 nan 8.190 nan 0.000 0.450 141 N N 0.010 118.666 118.700 -0.073 0.000 2.515 141 N HA 0.039 4.926 4.740 0.245 0.000 0.185 141 N C 1.583 177.060 175.510 -0.056 0.000 1.109 141 N CA 1.071 54.074 53.050 -0.078 0.000 0.903 141 N CB 0.375 38.814 38.487 -0.081 0.000 0.969 141 N HN 0.603 nan 8.380 nan 0.000 0.450 142 G N -0.239 108.538 108.800 -0.038 0.000 2.179 142 G HA2 -0.316 3.791 3.960 0.245 0.000 0.260 142 G HA3 -0.316 3.791 3.960 0.245 0.000 0.260 142 G C 0.954 175.843 174.900 -0.020 0.000 0.977 142 G CA 1.106 46.190 45.100 -0.027 0.000 0.641 142 G HN 0.495 nan 8.290 nan 0.000 0.533 143 T N -1.853 112.688 114.554 -0.021 0.000 3.040 143 T HA 0.483 4.980 4.350 0.245 0.000 0.250 143 T C 1.367 176.066 174.700 -0.002 0.000 1.058 143 T CA 0.420 62.511 62.100 -0.015 0.000 0.988 143 T CB 0.471 69.325 68.868 -0.023 0.000 0.993 143 T HN 0.850 nan 8.240 nan 0.000 0.519 144 I N 3.712 124.284 120.570 0.003 0.000 2.826 144 I HA 0.193 4.510 4.170 0.245 0.000 0.295 144 I C -0.031 176.109 176.117 0.038 0.000 1.213 144 I CA 0.516 61.826 61.300 0.016 0.000 1.436 144 I CB 0.328 38.336 38.000 0.012 0.000 1.348 144 I HN 0.549 nan 8.210 nan 0.000 0.570 145 S N 6.755 122.491 115.700 0.061 0.000 2.550 145 S HA 0.555 5.172 4.470 0.245 0.000 0.270 145 S C -1.273 173.424 174.600 0.162 0.000 1.145 145 S CA -0.759 57.500 58.200 0.099 0.000 0.852 145 S CB 1.836 65.070 63.200 0.058 0.000 1.119 145 S HN 0.660 nan 8.310 nan 0.000 0.465 146 Y N 0.663 120.991 120.300 0.048 0.000 2.441 146 Y HA 0.615 5.313 4.550 0.245 0.000 0.334 146 Y C -1.274 174.688 175.900 0.103 0.000 1.061 146 Y CA -0.197 57.917 58.100 0.024 0.000 1.032 146 Y CB 2.234 40.651 38.460 -0.072 0.000 1.266 146 Y HN 0.881 nan 8.280 nan 0.000 0.441 147 T N 6.519 120.733 114.554 -0.567 0.000 2.812 147 T HA 0.293 4.790 4.350 0.245 0.000 0.282 147 T C -0.536 173.738 174.700 -0.710 0.000 0.990 147 T CA -0.916 60.945 62.100 -0.398 0.000 0.960 147 T CB 0.503 69.256 68.868 -0.192 0.000 0.948 147 T HN 0.736 nan 8.240 nan 0.000 0.438 148 N N 1.957 120.441 118.700 -0.360 0.000 2.364 148 N HA 0.171 5.058 4.740 0.245 0.000 0.264 148 N C 0.925 176.375 175.510 -0.102 0.000 1.263 148 N CA -0.594 52.339 53.050 -0.194 0.000 0.959 148 N CB 0.461 39.040 38.487 0.153 0.000 1.204 148 N HN 0.556 nan 8.380 nan 0.000 0.550 149 E N -0.949 119.233 120.200 -0.030 0.000 2.160 149 E HA -0.174 4.323 4.350 0.245 0.000 0.195 149 E C 1.208 177.803 176.600 -0.010 0.000 0.991 149 E CA 1.642 58.031 56.400 -0.019 0.000 0.810 149 E CB -0.279 29.424 29.700 0.006 0.000 0.742 149 E HN 0.708 nan 8.360 nan 0.000 0.466 150 A N 0.085 122.911 122.820 0.010 0.000 2.238 150 A HA 0.241 4.708 4.320 0.245 0.000 0.208 150 A C 1.681 179.265 177.584 -0.001 0.000 1.177 150 A CA 0.780 52.824 52.037 0.011 0.000 0.804 150 A CB -0.264 18.754 19.000 0.029 0.000 0.823 150 A HN 0.333 nan 8.150 nan 0.000 0.482 151 G N -0.541 108.249 108.800 -0.016 0.000 2.136 151 G HA2 -0.285 3.822 3.960 0.245 0.000 0.242 151 G HA3 -0.285 3.822 3.960 0.245 0.000 0.242 151 G C 0.187 175.074 174.900 -0.022 0.000 0.989 151 G CA 0.504 45.587 45.100 -0.028 0.000 0.682 151 G HN 0.730 nan 8.290 nan 0.000 0.522 152 K N 0.485 120.889 120.400 0.006 0.000 2.312 152 K HA 0.584 5.052 4.320 0.245 0.000 0.287 152 K C 0.377 176.991 176.600 0.024 0.000 1.062 152 K CA -0.788 55.494 56.287 -0.009 0.000 0.934 152 K CB 0.398 32.902 32.500 0.007 0.000 1.027 152 K HN 0.303 nan 8.250 nan 0.000 0.478 153 I N 4.646 125.190 120.570 -0.043 0.000 2.396 153 I HA 0.195 4.512 4.170 0.245 0.000 0.292 153 I C -1.272 174.820 176.117 -0.043 0.000 0.999 153 I CA -0.642 60.666 61.300 0.013 0.000 1.310 153 I CB 0.481 38.471 38.000 -0.016 0.000 1.404 153 I HN 0.631 nan 8.210 nan 0.000 0.496 154 Y N 6.087 126.415 120.300 0.045 0.000 2.341 154 Y HA 0.501 5.198 4.550 0.246 0.000 0.338 154 Y C -0.235 175.685 175.900 0.032 0.000 0.965 154 Y CA -0.479 57.653 58.100 0.054 0.000 1.108 154 Y CB 1.632 40.161 38.460 0.115 0.000 1.180 154 Y HN 0.503 nan 8.280 nan 0.000 0.458 155 Q N 2.152 122.021 119.800 0.114 0.000 2.495 155 Q HA 0.521 5.008 4.340 0.245 0.000 0.287 155 Q C -1.314 174.709 176.000 0.038 0.000 1.078 155 Q CA -1.241 54.601 55.803 0.065 0.000 0.793 155 Q CB 2.779 31.532 28.738 0.024 0.000 1.459 155 Q HN 0.569 nan 8.270 nan 0.000 0.422 156 L N 1.802 123.037 121.223 0.020 0.000 2.455 156 L HA 0.169 4.656 4.340 0.245 0.000 0.272 156 L C 0.111 176.978 176.870 -0.005 0.000 1.174 156 L CA 0.295 55.137 54.840 0.003 0.000 0.869 156 L CB 0.049 42.107 42.059 -0.001 0.000 1.130 156 L HN 0.377 nan 8.230 nan 0.000 0.474 157 K N 3.620 124.014 120.400 -0.010 0.000 2.102 157 K HA 0.341 4.808 4.320 0.245 0.000 0.244 157 K C -2.215 174.379 176.600 -0.011 0.000 1.021 157 K CA -1.606 54.673 56.287 -0.014 0.000 0.913 157 K CB 0.158 32.648 32.500 -0.017 0.000 1.062 157 K HN 0.310 nan 8.250 nan 0.000 0.485 158 P HA -0.048 nan 4.420 nan 0.000 0.265 158 P C -1.076 176.221 177.300 -0.004 0.000 1.187 158 P CA 0.274 63.369 63.100 -0.008 0.000 0.766 158 P CB 0.267 31.962 31.700 -0.008 0.000 0.820 159 N N -0.756 117.942 118.700 -0.002 0.000 2.726 159 N HA -0.091 4.796 4.740 0.245 0.000 0.253 159 N C -2.116 173.398 175.510 0.006 0.000 1.059 159 N CA 0.250 53.302 53.050 0.003 0.000 0.701 159 N CB -1.584 36.907 38.487 0.006 0.000 0.899 159 N HN 0.394 nan 8.380 nan 0.000 0.548 160 P HA 0.261 nan 4.420 nan 0.000 0.272 160 P C 0.153 177.468 177.300 0.025 0.000 1.230 160 P CA -0.235 62.870 63.100 0.009 0.000 0.788 160 P CB 0.553 32.258 31.700 0.009 0.000 0.949 161 A N 1.750 124.591 122.820 0.035 0.000 2.448 161 A HA 0.190 4.657 4.320 0.245 0.000 0.239 161 A C 0.290 177.922 177.584 0.080 0.000 1.080 161 A CA -0.388 51.685 52.037 0.060 0.000 0.779 161 A CB -0.272 18.775 19.000 0.077 0.000 1.026 161 A HN 0.387 nan 8.150 nan 0.000 0.499 162 V N 1.663 121.628 119.914 0.086 0.000 2.637 162 V HA 0.153 4.420 4.120 0.245 0.000 0.296 162 V C 0.248 176.408 176.094 0.109 0.000 1.046 162 V CA -0.039 62.322 62.300 0.102 0.000 1.066 162 V CB 0.830 32.730 31.823 0.127 0.000 0.968 162 V HN 0.705 nan 8.190 nan 0.000 0.483 163 L N 7.097 128.370 121.223 0.083 0.000 2.289 163 L HA 0.619 5.106 4.340 0.245 0.000 0.285 163 L C -0.414 176.450 176.870 -0.010 0.000 1.049 163 L CA 0.432 55.281 54.840 0.016 0.000 0.804 163 L CB 0.854 42.926 42.059 0.022 0.000 1.195 163 L HN 0.502 nan 8.230 nan 0.000 0.428 164 I N 4.378 124.870 120.570 -0.129 0.000 2.582 164 I HA 0.306 4.623 4.170 0.245 0.000 0.292 164 I C -1.009 174.917 176.117 -0.319 0.000 1.066 164 I CA -0.677 60.553 61.300 -0.117 0.000 1.053 164 I CB 2.014 40.056 38.000 0.071 0.000 1.241 164 I HN 0.582 nan 8.210 nan 0.000 0.421 165 C N 6.423 125.473 119.300 -0.416 0.000 2.264 165 C HA 0.467 5.074 4.460 0.245 0.000 0.324 165 C C 0.330 175.368 174.990 0.080 0.000 1.267 165 C CA -0.518 58.275 59.018 -0.375 0.000 1.618 165 C CB 0.322 27.591 27.740 -0.786 0.000 2.278 165 C HN 0.880 nan 8.230 nan 0.000 0.499 166 R N 4.866 125.431 120.500 0.107 0.000 2.221 166 R HA 0.558 5.045 4.340 0.245 0.000 0.327 166 R C 0.020 176.540 176.300 0.367 0.000 1.033 166 R CA -0.302 55.955 56.100 0.261 0.000 0.887 166 R CB 0.843 31.238 30.300 0.159 0.000 1.057 166 R HN 0.818 nan 8.270 nan 0.000 0.455 167 V N 1.831 121.980 119.914 0.391 0.000 2.904 167 V HA 0.481 4.748 4.120 0.245 0.000 0.305 167 V C 0.342 176.627 176.094 0.320 0.000 1.067 167 V CA -0.989 61.541 62.300 0.384 0.000 1.044 167 V CB 1.178 33.239 31.823 0.398 0.000 1.050 167 V HN 0.771 nan 8.190 nan 0.000 0.475 168 R N 1.646 122.310 120.500 0.273 0.000 2.698 168 R HA 0.356 4.843 4.340 0.245 0.000 0.266 168 R C 0.873 177.271 176.300 0.164 0.000 1.026 168 R CA 0.574 56.777 56.100 0.172 0.000 1.102 168 R CB 0.255 30.601 30.300 0.076 0.000 0.978 168 R HN 1.141 nan 8.270 nan 0.000 0.436 169 G N 1.286 110.127 108.800 0.068 0.000 2.667 169 G HA2 0.068 4.175 3.960 0.245 0.000 0.250 169 G HA3 0.068 4.175 3.960 0.245 0.000 0.250 169 G C 1.054 175.928 174.900 -0.044 0.000 1.212 169 G CA -0.642 44.516 45.100 0.097 0.000 0.874 169 G HN 0.562 nan 8.290 nan 0.000 0.561 170 L N 0.443 121.693 121.223 0.046 0.000 2.191 170 L HA -0.104 4.383 4.340 0.245 0.000 0.212 170 L C 2.550 179.337 176.870 -0.139 0.000 1.103 170 L CA 1.204 55.972 54.840 -0.120 0.000 0.769 170 L CB -0.410 41.521 42.059 -0.213 0.000 0.908 170 L HN 0.784 nan 8.230 nan 0.000 0.438 171 H N -0.597 118.359 119.070 -0.190 0.000 2.548 171 H HA 0.129 4.833 4.556 0.247 0.000 0.268 171 H C 0.788 176.013 175.328 -0.171 0.000 0.975 171 H CA -0.150 55.786 56.048 -0.186 0.000 1.195 171 H CB -0.291 29.310 29.762 -0.267 0.000 1.397 171 H HN 0.264 nan 8.280 nan 0.000 0.572 172 L N 4.138 124.962 121.223 -0.666 0.000 2.290 172 L HA 0.292 4.779 4.340 0.245 0.000 0.284 172 L C -2.138 174.569 176.870 -0.271 0.000 1.078 172 L CA -1.998 52.523 54.840 -0.532 0.000 0.815 172 L CB 1.452 43.167 42.059 -0.573 0.000 1.162 172 L HN 0.064 nan 8.230 nan 0.000 0.435 173 P HA 0.134 nan 4.420 nan 0.000 0.281 173 P C -1.055 176.191 177.300 -0.090 0.000 1.249 173 P CA -0.514 62.533 63.100 -0.087 0.000 0.810 173 P CB 1.393 33.108 31.700 0.023 0.000 1.008 174 E N 1.944 122.144 120.200 0.001 0.000 2.121 174 E HA 0.115 4.612 4.350 0.245 0.000 0.255 174 E C 0.932 177.559 176.600 0.044 0.000 0.906 174 E CA -0.532 55.893 56.400 0.043 0.000 0.745 174 E CB 0.364 30.017 29.700 -0.078 0.000 1.155 174 E HN 0.343 nan 8.360 nan 0.000 0.424 175 K N 2.795 123.225 120.400 0.050 0.000 2.486 175 K HA -0.030 4.437 4.320 0.245 0.000 0.194 175 K C 0.125 176.494 176.600 -0.384 0.000 1.033 175 K CA 0.768 56.948 56.287 -0.178 0.000 1.004 175 K CB -0.041 32.309 32.500 -0.249 0.000 0.798 175 K HN 0.451 nan 8.250 nan 0.000 0.495 176 H N 0.247 119.226 119.070 -0.152 0.000 2.539 176 H HA 0.195 4.899 4.556 0.246 0.000 0.269 176 H C -0.608 174.494 175.328 -0.377 0.000 0.980 176 H CA -0.174 55.632 56.048 -0.403 0.000 1.152 176 H CB 0.672 29.902 29.762 -0.886 0.000 1.407 176 H HN -0.080 nan 8.280 nan 0.000 0.564 177 V N 1.534 121.354 119.914 -0.156 0.000 2.525 177 V HA 0.339 4.606 4.120 0.245 0.000 0.299 177 V C -0.036 175.972 176.094 -0.142 0.000 1.034 177 V CA -0.863 61.291 62.300 -0.243 0.000 0.863 177 V CB 1.806 33.550 31.823 -0.132 0.000 0.999 177 V HN 0.368 nan 8.190 nan 0.000 0.423 178 T N 0.380 114.845 114.554 -0.149 0.000 2.908 178 T HA 0.775 5.272 4.350 0.245 0.000 0.290 178 T C -1.436 173.312 174.700 0.081 0.000 1.034 178 T CA -0.665 61.419 62.100 -0.026 0.000 1.010 178 T CB 2.455 71.295 68.868 -0.047 0.000 1.068 178 T HN 0.759 nan 8.240 nan 0.000 0.481 179 W N 2.741 123.991 121.300 -0.084 0.000 3.042 179 W HA 0.574 5.380 4.660 0.244 0.000 0.337 179 W C 0.020 176.507 176.519 -0.053 0.000 1.086 179 W CA -1.126 56.181 57.345 -0.064 0.000 1.236 179 W CB 1.030 30.460 29.460 -0.051 0.000 1.381 179 W HN 1.022 nan 8.180 nan 0.000 0.472 180 R N 4.425 124.613 120.500 -0.520 0.000 3.516 180 R HA -0.183 4.304 4.340 0.245 0.000 0.271 180 R C 1.126 177.265 176.300 -0.268 0.000 1.098 180 R CA 1.414 57.193 56.100 -0.536 0.000 0.732 180 R CB -1.642 28.113 30.300 -0.909 0.000 1.152 180 R HN 1.549 nan 8.270 nan 0.000 0.455 181 G N -1.082 107.624 108.800 -0.157 0.000 2.184 181 G HA2 -0.320 3.787 3.960 0.245 0.000 0.264 181 G HA3 -0.320 3.787 3.960 0.245 0.000 0.264 181 G C -0.085 174.773 174.900 -0.070 0.000 0.975 181 G CA 0.788 45.828 45.100 -0.100 0.000 0.642 181 G HN 0.403 nan 8.290 nan 0.000 0.536 182 E N -0.159 120.012 120.200 -0.049 0.000 2.256 182 E HA 0.675 5.172 4.350 0.245 0.000 0.267 182 E C 0.482 177.099 176.600 0.027 0.000 0.892 182 E CA -0.124 56.269 56.400 -0.012 0.000 0.775 182 E CB 1.692 31.390 29.700 -0.004 0.000 1.207 182 E HN 0.794 nan 8.360 nan 0.000 0.420 183 A N 2.584 125.413 122.820 0.015 0.000 2.561 183 A HA 0.201 4.668 4.320 0.245 0.000 0.234 183 A C 0.727 178.348 177.584 0.062 0.000 1.055 183 A CA -0.024 52.025 52.037 0.020 0.000 0.756 183 A CB -0.484 18.530 19.000 0.023 0.000 0.986 183 A HN 0.602 nan 8.150 nan 0.000 0.505 184 I N -0.102 120.508 120.570 0.067 0.000 2.886 184 I HA 0.508 4.825 4.170 0.245 0.000 0.299 184 I C -2.517 173.637 176.117 0.063 0.000 1.044 184 I CA -2.566 58.788 61.300 0.089 0.000 1.310 184 I CB 0.651 38.704 38.000 0.089 0.000 1.441 184 I HN 0.255 nan 8.210 nan 0.000 0.578 185 P HA 0.111 nan 4.420 nan 0.000 0.271 185 P C 0.748 178.100 177.300 0.087 0.000 1.226 185 P CA 0.068 63.188 63.100 0.033 0.000 0.765 185 P CB 1.130 32.844 31.700 0.023 0.000 0.835 186 G N 2.486 111.310 108.800 0.039 0.000 2.442 186 G HA2 -0.264 3.843 3.960 0.245 0.000 0.219 186 G HA3 -0.264 3.843 3.960 0.245 0.000 0.219 186 G C 1.571 176.588 174.900 0.194 0.000 1.141 186 G CA 0.604 45.758 45.100 0.089 0.000 0.763 186 G HN 0.417 nan 8.290 nan 0.000 0.554 187 S N 0.379 116.182 115.700 0.172 0.000 2.365 187 S HA -0.084 4.533 4.470 0.245 0.000 0.225 187 S C 2.272 177.102 174.600 0.384 0.000 1.039 187 S CA 1.122 59.512 58.200 0.316 0.000 1.033 187 S CB -0.258 63.093 63.200 0.251 0.000 0.887 187 S HN 0.347 nan 8.310 nan 0.000 0.447 188 L N -0.455 120.931 121.223 0.272 0.000 2.109 188 L HA -0.024 4.463 4.340 0.245 0.000 0.207 188 L C 2.195 179.238 176.870 0.288 0.000 1.086 188 L CA 1.040 56.030 54.840 0.251 0.000 0.760 188 L CB -0.467 41.667 42.059 0.126 0.000 0.910 188 L HN 0.260 nan 8.230 nan 0.000 0.437 189 F N 1.457 121.488 119.950 0.134 0.000 2.069 189 F HA -0.291 4.384 4.527 0.246 0.000 0.298 189 F C 2.230 178.084 175.800 0.090 0.000 1.113 189 F CA 1.964 60.033 58.000 0.115 0.000 1.214 189 F CB -0.096 38.974 39.000 0.118 0.000 0.978 189 F HN 0.131 nan 8.300 nan 0.000 0.474 190 D N -0.240 120.322 120.400 0.270 0.000 2.117 190 D HA -0.191 4.596 4.640 0.245 0.000 0.198 190 D C 2.032 178.438 176.300 0.176 0.000 0.982 190 D CA 1.413 55.429 54.000 0.028 0.000 0.828 190 D CB -0.863 39.941 40.800 0.007 0.000 0.967 190 D HN 0.375 nan 8.370 nan 0.000 0.464 191 F N 1.990 122.063 119.950 0.205 0.000 2.102 191 F HA -0.103 4.571 4.527 0.245 0.000 0.298 191 F C 2.196 178.197 175.800 0.334 0.000 1.105 191 F CA 1.650 59.779 58.000 0.216 0.000 1.239 191 F CB -0.406 38.663 39.000 0.116 0.000 0.991 191 F HN -0.062 nan 8.300 nan 0.000 0.474 192 A N 0.899 123.738 122.820 0.032 0.000 1.908 192 A HA -0.133 4.334 4.320 0.245 0.000 0.218 192 A C 2.318 180.000 177.584 0.163 0.000 1.181 192 A CA 2.036 54.085 52.037 0.020 0.000 0.627 192 A CB -1.208 17.777 19.000 -0.024 0.000 0.818 192 A HN 0.536 nan 8.150 nan 0.000 0.445 193 L N -2.658 118.591 121.223 0.044 0.000 2.095 193 L HA -0.091 4.396 4.340 0.245 0.000 0.204 193 L C 2.576 179.601 176.870 0.258 0.000 1.080 193 L CA 1.366 56.281 54.840 0.124 0.000 0.759 193 L CB -0.639 41.352 42.059 -0.114 0.000 0.914 193 L HN 0.540 nan 8.230 nan 0.000 0.439 194 Y N 0.435 120.816 120.300 0.136 0.000 2.145 194 Y HA -0.340 4.357 4.550 0.246 0.000 0.286 194 Y C 2.474 178.470 175.900 0.159 0.000 1.145 194 Y CA 1.516 59.724 58.100 0.180 0.000 1.148 194 Y CB -0.457 38.159 38.460 0.260 0.000 0.981 194 Y HN 0.107 nan 8.280 nan 0.000 0.507 195 F N -0.245 119.704 119.950 -0.001 0.000 2.069 195 F HA -0.263 4.411 4.527 0.245 0.000 0.298 195 F C 2.172 177.883 175.800 -0.148 0.000 1.113 195 F CA 2.013 59.938 58.000 -0.126 0.000 1.214 195 F CB -1.141 37.683 39.000 -0.294 0.000 0.978 195 F HN 0.148 nan 8.300 nan 0.000 0.474 196 F N 0.613 120.397 119.950 -0.277 0.000 2.102 196 F HA -0.215 4.459 4.527 0.245 0.000 0.298 196 F C 2.709 178.184 175.800 -0.543 0.000 1.105 196 F CA 2.173 59.870 58.000 -0.504 0.000 1.239 196 F CB -0.895 37.944 39.000 -0.269 0.000 0.991 196 F HN 0.048 nan 8.300 nan 0.000 0.474 197 H N -0.287 118.615 119.070 -0.280 0.000 2.495 197 H HA 0.027 4.730 4.556 0.245 0.000 0.287 197 H C 1.036 176.039 175.328 -0.541 0.000 1.033 197 H CA 1.376 57.195 56.048 -0.380 0.000 1.307 197 H CB -0.082 29.602 29.762 -0.130 0.000 1.401 197 H HN 0.403 nan 8.280 nan 0.000 0.555 198 N N -0.104 118.269 118.700 -0.544 0.000 2.193 198 N HA -0.055 4.832 4.740 0.245 0.000 0.210 198 N C 1.582 176.704 175.510 -0.647 0.000 1.215 198 N CA 0.018 52.712 53.050 -0.593 0.000 0.901 198 N CB 0.224 38.288 38.487 -0.705 0.000 1.060 198 N HN 0.455 nan 8.380 nan 0.000 0.508 199 Y N 1.445 121.260 120.300 -0.807 0.000 2.224 199 Y HA -0.045 4.652 4.550 0.245 0.000 0.289 199 Y C 2.132 177.727 175.900 -0.509 0.000 1.146 199 Y CA 1.214 58.886 58.100 -0.713 0.000 1.182 199 Y CB -0.582 37.252 38.460 -1.043 0.000 0.983 199 Y HN -0.088 nan 8.280 nan 0.000 0.524 200 Q N 0.979 119.995 119.800 -1.307 0.000 2.020 200 Q HA -0.113 4.374 4.340 0.245 0.000 0.202 200 Q C 2.700 178.409 176.000 -0.484 0.000 0.982 200 Q CA 1.509 56.782 55.803 -0.884 0.000 0.838 200 Q CB -0.388 27.794 28.738 -0.927 0.000 0.899 200 Q HN 0.674 nan 8.270 nan 0.000 0.423 201 A N 0.697 123.244 122.820 -0.454 0.000 1.930 201 A HA -0.117 4.350 4.320 0.245 0.000 0.217 201 A C 2.073 179.504 177.584 -0.255 0.000 1.175 201 A CA 0.914 52.769 52.037 -0.304 0.000 0.627 201 A CB -0.565 18.272 19.000 -0.272 0.000 0.815 201 A HN 0.257 nan 8.150 nan 0.000 0.443 202 L N -0.717 120.329 121.223 -0.296 0.000 2.017 202 L HA -0.163 4.324 4.340 0.245 0.000 0.208 202 L C 2.533 179.280 176.870 -0.206 0.000 1.073 202 L CA 1.106 55.790 54.840 -0.260 0.000 0.745 202 L CB -0.444 41.418 42.059 -0.328 0.000 0.894 202 L HN 0.370 nan 8.230 nan 0.000 0.432 203 L N -0.752 120.356 121.223 -0.191 0.000 2.093 203 L HA -0.150 4.337 4.340 0.245 0.000 0.208 203 L C 2.836 179.644 176.870 -0.104 0.000 1.085 203 L CA 0.943 55.713 54.840 -0.116 0.000 0.755 203 L CB -0.688 41.328 42.059 -0.072 0.000 0.904 203 L HN 0.230 nan 8.230 nan 0.000 0.435 204 A N 1.182 123.920 122.820 -0.136 0.000 1.933 204 A HA -0.221 4.247 4.320 0.245 0.000 0.218 204 A C 2.155 179.686 177.584 -0.088 0.000 1.175 204 A CA 1.921 53.892 52.037 -0.111 0.000 0.628 204 A CB -0.423 18.496 19.000 -0.135 0.000 0.814 204 A HN 0.545 nan 8.150 nan 0.000 0.444 205 K N -1.402 118.940 120.400 -0.096 0.000 2.458 205 K HA 0.350 4.817 4.320 0.245 0.000 0.194 205 K C 0.868 177.437 176.600 -0.051 0.000 1.024 205 K CA 0.674 56.918 56.287 -0.071 0.000 1.108 205 K CB -0.336 32.118 32.500 -0.077 0.000 0.846 205 K HN 0.822 nan 8.250 nan 0.000 0.518 206 G N 0.397 109.168 108.800 -0.049 0.000 2.141 206 G HA2 -0.298 3.809 3.960 0.245 0.000 0.242 206 G HA3 -0.298 3.809 3.960 0.245 0.000 0.242 206 G C 0.149 175.044 174.900 -0.008 0.000 0.982 206 G CA 0.374 45.461 45.100 -0.021 0.000 0.662 206 G HN 0.466 nan 8.290 nan 0.000 0.527 207 S N -1.279 114.387 115.700 -0.057 0.000 2.505 207 S HA 0.944 5.561 4.470 0.245 0.000 0.273 207 S C 0.666 175.143 174.600 -0.205 0.000 1.123 207 S CA 0.871 59.013 58.200 -0.097 0.000 1.006 207 S CB 1.508 64.603 63.200 -0.175 0.000 1.243 207 S HN 1.879 nan 8.310 nan 0.000 0.498 208 G N 0.361 108.787 108.800 -0.623 0.000 2.559 208 G HA2 0.510 4.617 3.960 0.245 0.000 0.291 208 G HA3 0.510 4.617 3.960 0.245 0.000 0.291 208 G C -3.379 171.007 174.900 -0.857 0.000 1.424 208 G CA -0.850 43.926 45.100 -0.540 0.000 0.786 208 G HN 0.453 nan 8.290 nan 0.000 0.485 209 P HA 0.361 nan 4.420 nan 0.000 0.279 209 P C -1.440 175.842 177.300 -0.030 0.000 1.318 209 P CA -0.112 62.901 63.100 -0.145 0.000 0.819 209 P CB 0.114 31.956 31.700 0.238 0.000 0.927 210 Y N 3.226 123.378 120.300 -0.247 0.000 2.393 210 Y HA 0.572 5.269 4.550 0.245 0.000 0.341 210 Y C 0.175 175.710 175.900 -0.608 0.000 0.988 210 Y CA -1.324 56.609 58.100 -0.279 0.000 1.078 210 Y CB 1.136 39.498 38.460 -0.163 0.000 1.203 210 Y HN 0.214 nan 8.280 nan 0.000 0.453 211 F N 1.029 121.057 119.950 0.129 0.000 2.588 211 F HA 0.491 5.165 4.527 0.245 0.000 0.314 211 F C -1.054 174.740 175.800 -0.011 0.000 1.069 211 F CA -1.414 56.632 58.000 0.077 0.000 0.931 211 F CB 1.678 40.727 39.000 0.082 0.000 1.260 211 F HN 0.307 nan 8.300 nan 0.000 0.465 212 Y N 2.605 123.039 120.300 0.223 0.000 2.331 212 Y HA 0.617 5.314 4.550 0.245 0.000 0.338 212 Y C -0.658 175.328 175.900 0.143 0.000 0.992 212 Y CA -0.649 57.557 58.100 0.177 0.000 1.121 212 Y CB 1.301 39.879 38.460 0.196 0.000 1.184 212 Y HN 0.290 nan 8.280 nan 0.000 0.469 213 L N 7.737 129.087 121.223 0.211 0.000 2.305 213 L HA 0.533 5.020 4.340 0.245 0.000 0.284 213 L C -2.521 174.475 176.870 0.211 0.000 1.013 213 L CA -1.944 52.928 54.840 0.055 0.000 0.819 213 L CB 1.544 43.439 42.059 -0.273 0.000 1.227 213 L HN 0.395 nan 8.230 nan 0.000 0.417 214 P HA 0.294 nan 4.420 nan 0.000 0.289 214 P C -0.785 176.678 177.300 0.272 0.000 1.293 214 P CA -0.602 62.665 63.100 0.279 0.000 0.897 214 P CB 1.676 33.546 31.700 0.285 0.000 1.166 215 K N -1.628 118.929 120.400 0.261 0.000 3.209 215 K HA -0.096 4.371 4.320 0.245 0.000 0.289 215 K C -0.082 176.646 176.600 0.213 0.000 1.191 215 K CA 0.698 57.132 56.287 0.245 0.000 0.851 215 K CB -2.298 30.358 32.500 0.259 0.000 1.242 215 K HN 0.547 nan 8.250 nan 0.000 0.480 216 T N 1.155 115.841 114.554 0.221 0.000 2.946 216 T HA -0.011 4.486 4.350 0.245 0.000 0.311 216 T C 1.308 176.104 174.700 0.159 0.000 1.063 216 T CA 0.288 62.509 62.100 0.201 0.000 1.139 216 T CB 0.947 69.952 68.868 0.228 0.000 0.994 216 T HN 0.239 nan 8.240 nan 0.000 0.547 217 Q N 0.639 120.507 119.800 0.112 0.000 2.353 217 Q HA 0.182 4.669 4.340 0.245 0.000 0.240 217 Q C 0.653 176.705 176.000 0.086 0.000 0.868 217 Q CA -0.065 55.788 55.803 0.083 0.000 0.944 217 Q CB 0.713 29.468 28.738 0.028 0.000 1.104 217 Q HN 0.763 nan 8.270 nan 0.000 0.531 218 S N -1.361 114.383 115.700 0.074 0.000 2.607 218 S HA 0.184 4.801 4.470 0.245 0.000 0.273 218 S C 0.116 174.780 174.600 0.107 0.000 1.148 218 S CA -1.053 57.177 58.200 0.051 0.000 0.833 218 S CB 0.194 63.322 63.200 -0.120 0.000 1.130 218 S HN 0.453 nan 8.310 nan 0.000 0.470 219 W N 1.023 122.398 121.300 0.124 0.000 2.392 219 W HA -0.083 4.725 4.660 0.246 0.000 0.279 219 W C 0.795 177.387 176.519 0.121 0.000 1.225 219 W CA 1.438 58.865 57.345 0.137 0.000 1.233 219 W CB -1.098 28.446 29.460 0.141 0.000 1.122 219 W HN 0.731 nan 8.180 nan 0.000 0.561 220 Q N 1.296 120.671 119.800 -0.707 0.000 2.167 220 Q HA -0.143 4.344 4.340 0.245 0.000 0.202 220 Q C 2.087 177.984 176.000 -0.172 0.000 0.970 220 Q CA 2.294 57.710 55.803 -0.645 0.000 0.855 220 Q CB -0.456 27.802 28.738 -0.800 0.000 0.911 220 Q HN 0.452 nan 8.270 nan 0.000 0.438 221 E N 0.254 120.388 120.200 -0.110 0.000 2.072 221 E HA -0.166 4.331 4.350 0.245 0.000 0.191 221 E C 1.975 178.690 176.600 0.193 0.000 0.985 221 E CA 0.891 57.281 56.400 -0.017 0.000 0.801 221 E CB -0.195 29.494 29.700 -0.017 0.000 0.750 221 E HN 0.403 nan 8.360 nan 0.000 0.452 222 A N 1.613 124.586 122.820 0.256 0.000 1.908 222 A HA -0.169 4.298 4.320 0.245 0.000 0.218 222 A C 2.417 180.162 177.584 0.269 0.000 1.181 222 A CA 1.797 54.032 52.037 0.329 0.000 0.627 222 A CB -0.720 18.476 19.000 0.325 0.000 0.818 222 A HN 0.300 nan 8.150 nan 0.000 0.445 223 A N -1.690 121.282 122.820 0.253 0.000 1.933 223 A HA -0.169 4.298 4.320 0.245 0.000 0.218 223 A C 1.974 179.615 177.584 0.095 0.000 1.175 223 A CA 1.558 53.720 52.037 0.208 0.000 0.628 223 A CB -0.888 18.281 19.000 0.281 0.000 0.814 223 A HN 0.875 nan 8.150 nan 0.000 0.444 224 W N -0.704 120.507 121.300 -0.149 0.000 2.355 224 W HA -0.204 4.606 4.660 0.249 0.000 0.309 224 W C 1.958 178.150 176.519 -0.546 0.000 1.206 224 W CA 1.851 59.000 57.345 -0.328 0.000 1.284 224 W CB -0.494 28.729 29.460 -0.395 0.000 1.145 224 W HN 0.444 nan 8.180 nan 0.000 0.502 225 W N -0.050 121.079 121.300 -0.284 0.000 2.338 225 W HA -0.253 4.554 4.660 0.244 0.000 0.304 225 W C 3.083 178.866 176.519 -1.227 0.000 1.212 225 W CA 1.601 58.381 57.345 -0.943 0.000 1.264 225 W CB -1.108 27.933 29.460 -0.699 0.000 1.142 225 W HN -0.201 nan 8.180 nan 0.000 0.512 226 S N 0.194 115.685 115.700 -0.348 0.000 2.382 226 S HA -0.217 4.400 4.470 0.245 0.000 0.228 226 S C 1.601 176.040 174.600 -0.269 0.000 1.027 226 S CA 1.693 59.786 58.200 -0.178 0.000 0.991 226 S CB -0.255 63.008 63.200 0.106 0.000 0.823 226 S HN 0.306 nan 8.310 nan 0.000 0.469 227 E N 0.011 119.989 120.200 -0.370 0.000 2.072 227 E HA -0.091 4.406 4.350 0.245 0.000 0.191 227 E C 2.153 178.336 176.600 -0.695 0.000 0.985 227 E CA 1.327 57.514 56.400 -0.355 0.000 0.801 227 E CB -0.205 29.345 29.700 -0.250 0.000 0.750 227 E HN 0.353 nan 8.360 nan 0.000 0.452 228 V N 1.212 120.301 119.914 -1.376 0.000 2.287 228 V HA -0.266 4.001 4.120 0.245 0.000 0.248 228 V C 2.091 177.795 176.094 -0.649 0.000 1.053 228 V CA 1.712 63.097 62.300 -1.525 0.000 1.027 228 V CB -0.553 30.134 31.823 -1.894 0.000 0.646 228 V HN 0.177 nan 8.190 nan 0.000 0.447 229 F N 0.713 120.263 119.950 -0.667 0.000 2.102 229 F HA -0.132 4.542 4.527 0.245 0.000 0.298 229 F C 2.763 178.399 175.800 -0.273 0.000 1.105 229 F CA 1.440 59.112 58.000 -0.546 0.000 1.239 229 F CB -1.520 36.901 39.000 -0.964 0.000 0.991 229 F HN 0.068 nan 8.300 nan 0.000 0.474 230 S N -1.012 114.695 115.700 0.012 0.000 2.368 230 S HA -0.245 4.372 4.470 0.245 0.000 0.225 230 S C 1.953 176.622 174.600 0.116 0.000 1.030 230 S CA 1.122 59.408 58.200 0.143 0.000 0.999 230 S CB -0.752 62.545 63.200 0.161 0.000 0.844 230 S HN 0.460 nan 8.310 nan 0.000 0.459 231 Y N 2.131 122.428 120.300 -0.005 0.000 2.181 231 Y HA -0.176 4.521 4.550 0.246 0.000 0.288 231 Y C 2.388 178.339 175.900 0.085 0.000 1.146 231 Y CA 1.219 59.344 58.100 0.042 0.000 1.164 231 Y CB -0.590 37.940 38.460 0.117 0.000 0.982 231 Y HN 0.237 nan 8.280 nan 0.000 0.515 232 A N 0.118 123.111 122.820 0.289 0.000 1.902 232 A HA -0.193 4.274 4.320 0.245 0.000 0.217 232 A C 2.034 179.689 177.584 0.118 0.000 1.181 232 A CA 1.875 54.071 52.037 0.265 0.000 0.623 232 A CB -0.701 18.290 19.000 -0.014 0.000 0.818 232 A HN 0.626 nan 8.150 nan 0.000 0.443 233 E N -0.065 120.181 120.200 0.076 0.000 2.051 233 E HA -0.193 4.304 4.350 0.245 0.000 0.192 233 E C 1.545 178.178 176.600 0.055 0.000 0.991 233 E CA 1.302 57.778 56.400 0.128 0.000 0.799 233 E CB -0.205 29.588 29.700 0.155 0.000 0.748 233 E HN 0.529 nan 8.360 nan 0.000 0.449 234 D N 0.148 120.529 120.400 -0.031 0.000 2.117 234 D HA -0.155 4.632 4.640 0.245 0.000 0.197 234 D C 1.943 178.112 176.300 -0.217 0.000 0.987 234 D CA 0.845 54.779 54.000 -0.111 0.000 0.829 234 D CB -0.211 40.499 40.800 -0.150 0.000 0.961 234 D HN -0.051 nan 8.370 nan 0.000 0.460 235 R N 0.212 120.496 120.500 -0.360 0.000 2.117 235 R HA -0.104 4.383 4.340 0.245 0.000 0.243 235 R C 1.040 176.899 176.300 -0.735 0.000 1.143 235 R CA 1.181 56.921 56.100 -0.600 0.000 0.968 235 R CB -0.594 29.299 30.300 -0.679 0.000 0.863 235 R HN 0.169 nan 8.270 nan 0.000 0.444 236 F N -0.176 119.689 119.950 -0.142 0.000 2.708 236 F HA 0.311 4.985 4.527 0.245 0.000 0.300 236 F C 0.309 176.062 175.800 -0.078 0.000 1.118 236 F CA -0.400 57.508 58.000 -0.153 0.000 1.307 236 F CB -0.330 38.417 39.000 -0.422 0.000 0.986 236 F HN 0.043 nan 8.300 nan 0.000 0.522 237 N N 1.599 120.313 118.700 0.024 0.000 2.740 237 N HA -0.216 4.671 4.740 0.245 0.000 0.248 237 N C -0.992 174.558 175.510 0.067 0.000 1.062 237 N CA 0.343 53.411 53.050 0.031 0.000 0.704 237 N CB -1.161 37.343 38.487 0.029 0.000 0.968 237 N HN 0.333 nan 8.380 nan 0.000 0.547 238 L N 0.055 121.329 121.223 0.084 0.000 2.360 238 L HA 0.620 5.107 4.340 0.245 0.000 0.271 238 L C -1.470 175.451 176.870 0.085 0.000 1.057 238 L CA -1.937 52.964 54.840 0.101 0.000 0.803 238 L CB 0.809 42.953 42.059 0.142 0.000 1.207 238 L HN 0.058 nan 8.230 nan 0.000 0.445 239 P HA 0.045 nan 4.420 nan 0.000 0.269 239 P C -0.688 176.659 177.300 0.078 0.000 1.209 239 P CA -0.532 62.607 63.100 0.064 0.000 0.776 239 P CB 0.515 32.247 31.700 0.053 0.000 0.876 240 R N 1.889 122.423 120.500 0.057 0.000 2.538 240 R HA 0.293 4.780 4.340 0.245 0.000 0.282 240 R C 1.381 177.683 176.300 0.003 0.000 1.009 240 R CA 1.592 57.721 56.100 0.049 0.000 1.063 240 R CB -1.261 29.047 30.300 0.012 0.000 0.945 240 R HN 0.854 nan 8.270 nan 0.000 0.414 241 G N 2.445 111.227 108.800 -0.030 0.000 2.148 241 G HA2 -0.312 3.795 3.960 0.245 0.000 0.254 241 G HA3 -0.312 3.795 3.960 0.245 0.000 0.254 241 G C 0.852 175.810 174.900 0.096 0.000 0.981 241 G CA 0.656 45.704 45.100 -0.086 0.000 0.670 241 G HN 0.671 nan 8.290 nan 0.000 0.528 242 T N 0.502 115.150 114.554 0.157 0.000 2.684 242 T HA 0.026 4.523 4.350 0.245 0.000 0.267 242 T C 1.522 176.360 174.700 0.229 0.000 1.036 242 T CA 1.220 63.428 62.100 0.180 0.000 1.148 242 T CB -0.019 68.960 68.868 0.186 0.000 0.863 242 T HN 0.493 nan 8.240 nan 0.000 0.436 243 I N 2.161 122.879 120.570 0.248 0.000 2.533 243 I HA 0.111 4.428 4.170 0.245 0.000 0.284 243 I C 0.091 176.283 176.117 0.126 0.000 1.109 243 I CA -0.091 61.306 61.300 0.162 0.000 1.412 243 I CB 0.455 38.363 38.000 -0.154 0.000 1.396 243 I HN -0.090 nan 8.210 nan 0.000 0.543 244 K N 5.917 126.419 120.400 0.170 0.000 2.345 244 K HA 0.748 5.215 4.320 0.245 0.000 0.255 244 K C -0.899 175.708 176.600 0.011 0.000 0.934 244 K CA -0.610 55.712 56.287 0.058 0.000 0.801 244 K CB 2.240 34.693 32.500 -0.079 0.000 1.137 244 K HN 0.627 nan 8.250 nan 0.000 0.424 245 A N 1.899 124.716 122.820 -0.004 0.000 2.350 245 A HA 0.711 5.178 4.320 0.245 0.000 0.324 245 A C -0.599 176.919 177.584 -0.110 0.000 1.118 245 A CA -0.543 51.493 52.037 -0.001 0.000 0.783 245 A CB 0.965 20.046 19.000 0.135 0.000 1.236 245 A HN 0.527 nan 8.150 nan 0.000 0.457 246 T N 2.178 116.558 114.554 -0.289 0.000 2.797 246 T HA 0.535 5.032 4.350 0.245 0.000 0.279 246 T C -0.625 173.936 174.700 -0.232 0.000 0.991 246 T CA -0.130 61.732 62.100 -0.396 0.000 0.979 246 T CB 0.901 69.236 68.868 -0.887 0.000 0.943 246 T HN 0.548 nan 8.240 nan 0.000 0.444 247 L N 4.243 125.454 121.223 -0.020 0.000 2.325 247 L HA 0.567 5.054 4.340 0.245 0.000 0.281 247 L C -0.981 175.990 176.870 0.168 0.000 1.004 247 L CA -0.983 53.916 54.840 0.098 0.000 0.823 247 L CB 0.772 42.896 42.059 0.108 0.000 1.236 247 L HN 0.579 nan 8.230 nan 0.000 0.415 248 L N 5.895 127.263 121.223 0.242 0.000 2.410 248 L HA 0.209 4.696 4.340 0.245 0.000 0.273 248 L C -0.148 176.834 176.870 0.187 0.000 1.144 248 L CA 0.031 54.997 54.840 0.210 0.000 0.863 248 L CB 0.603 42.803 42.059 0.235 0.000 1.140 248 L HN 0.467 nan 8.230 nan 0.000 0.463 249 I N 4.411 125.077 120.570 0.160 0.000 2.282 249 I HA 0.109 4.426 4.170 0.245 0.000 0.290 249 I C 0.762 177.044 176.117 0.276 0.000 1.090 249 I CA 0.312 61.738 61.300 0.209 0.000 1.231 249 I CB 0.315 38.421 38.000 0.177 0.000 1.434 249 I HN 0.819 nan 8.210 nan 0.000 0.487 250 E N 3.322 123.701 120.200 0.297 0.000 3.085 250 E HA 0.130 4.627 4.350 0.245 0.000 0.179 250 E C -0.331 176.443 176.600 0.291 0.000 0.951 250 E CA -0.441 56.158 56.400 0.331 0.000 1.326 250 E CB 0.488 30.346 29.700 0.265 0.000 1.043 250 E HN 0.474 nan 8.360 nan 0.000 0.457 251 T N -2.177 112.540 114.554 0.273 0.000 2.903 251 T HA 0.362 4.859 4.350 0.245 0.000 0.299 251 T C 0.480 175.239 174.700 0.100 0.000 1.093 251 T CA -0.883 61.276 62.100 0.098 0.000 1.002 251 T CB 1.956 70.860 68.868 0.061 0.000 1.127 251 T HN 0.038 nan 8.240 nan 0.000 0.488 252 L N 2.163 123.321 121.223 -0.107 0.000 2.056 252 L HA 0.243 4.730 4.340 0.245 0.000 0.207 252 L C -0.983 175.979 176.870 0.153 0.000 1.078 252 L CA 1.435 56.229 54.840 -0.076 0.000 0.749 252 L CB -1.368 40.562 42.059 -0.215 0.000 0.901 252 L HN 0.545 nan 8.230 nan 0.000 0.433 253 P HA -0.145 nan 4.420 nan 0.000 0.216 253 P C 1.456 178.907 177.300 0.253 0.000 1.150 253 P CA 1.877 65.079 63.100 0.170 0.000 0.837 253 P CB -0.169 31.567 31.700 0.059 0.000 0.786 254 A N -0.713 122.234 122.820 0.212 0.000 2.014 254 A HA -0.100 4.367 4.320 0.245 0.000 0.218 254 A C 2.288 180.002 177.584 0.217 0.000 1.163 254 A CA 1.127 53.299 52.037 0.225 0.000 0.652 254 A CB -1.612 17.517 19.000 0.215 0.000 0.808 254 A HN 0.140 nan 8.150 nan 0.000 0.449 255 V N -1.267 118.755 119.914 0.180 0.000 2.913 255 V HA -0.127 4.140 4.120 0.245 0.000 0.260 255 V C 1.595 177.579 176.094 -0.182 0.000 1.098 255 V CA 1.492 63.804 62.300 0.019 0.000 1.121 255 V CB -0.761 31.054 31.823 -0.014 0.000 0.714 255 V HN 0.570 nan 8.190 nan 0.000 0.487 256 F N -0.433 119.559 119.950 0.070 0.000 2.765 256 F HA 0.245 4.919 4.527 0.244 0.000 0.302 256 F C 1.862 177.783 175.800 0.202 0.000 1.111 256 F CA 0.294 58.271 58.000 -0.039 0.000 1.359 256 F CB 0.200 39.050 39.000 -0.249 0.000 1.097 256 F HN 0.211 nan 8.300 nan 0.000 0.577 257 Q N -0.811 119.198 119.800 0.347 0.000 2.110 257 Q HA 0.224 4.712 4.340 0.245 0.000 0.232 257 Q C 1.492 177.675 176.000 0.304 0.000 0.810 257 Q CA -0.071 55.943 55.803 0.352 0.000 1.083 257 Q CB 0.450 29.412 28.738 0.374 0.000 1.193 257 Q HN 0.445 nan 8.270 nan 0.000 0.471 258 M N 0.082 119.838 119.600 0.261 0.000 2.175 258 M HA -0.141 4.486 4.480 0.245 0.000 0.264 258 M C 1.193 177.631 176.300 0.230 0.000 1.063 258 M CA 1.395 56.824 55.300 0.214 0.000 1.119 258 M CB -0.014 32.675 32.600 0.148 0.000 1.377 258 M HN 0.163 nan 8.290 nan 0.000 0.415 259 D N 0.450 120.988 120.400 0.230 0.000 2.117 259 D HA -0.119 4.668 4.640 0.245 0.000 0.198 259 D C 1.780 178.294 176.300 0.357 0.000 0.982 259 D CA 1.252 55.419 54.000 0.279 0.000 0.828 259 D CB 0.071 41.001 40.800 0.216 0.000 0.967 259 D HN 0.262 nan 8.370 nan 0.000 0.464 260 E N -0.055 120.288 120.200 0.238 0.000 2.106 260 E HA -0.066 4.431 4.350 0.245 0.000 0.192 260 E C 2.237 178.998 176.600 0.268 0.000 0.984 260 E CA 0.414 56.887 56.400 0.122 0.000 0.806 260 E CB -0.052 29.622 29.700 -0.044 0.000 0.750 260 E HN 0.355 nan 8.360 nan 0.000 0.458 261 I N 0.282 121.057 120.570 0.341 0.000 2.179 261 I HA -0.277 4.040 4.170 0.245 0.000 0.242 261 I C 2.058 178.361 176.117 0.310 0.000 1.088 261 I CA 0.978 62.485 61.300 0.345 0.000 1.357 261 I CB -0.175 38.007 38.000 0.303 0.000 1.051 261 I HN 0.102 nan 8.210 nan 0.000 0.409 262 L N -0.360 121.063 121.223 0.334 0.000 2.046 262 L HA -0.287 4.201 4.340 0.245 0.000 0.208 262 L C 2.735 179.836 176.870 0.386 0.000 1.077 262 L CA 1.415 56.480 54.840 0.374 0.000 0.747 262 L CB -0.864 41.450 42.059 0.425 0.000 0.896 262 L HN 0.399 nan 8.230 nan 0.000 0.432 263 H N 0.036 119.240 119.070 0.224 0.000 2.326 263 H HA -0.134 4.569 4.556 0.245 0.000 0.301 263 H C 2.127 177.392 175.328 -0.105 0.000 1.081 263 H CA 1.524 57.420 56.048 -0.254 0.000 1.334 263 H CB 0.370 29.814 29.762 -0.531 0.000 1.385 263 H HN 0.343 nan 8.280 nan 0.000 0.504 264 A N 0.674 123.559 122.820 0.108 0.000 2.015 264 A HA -0.091 4.376 4.320 0.245 0.000 0.219 264 A C 1.930 179.596 177.584 0.137 0.000 1.163 264 A CA 0.930 53.058 52.037 0.153 0.000 0.646 264 A CB -0.209 19.022 19.000 0.384 0.000 0.806 264 A HN 0.338 nan 8.150 nan 0.000 0.448 265 L N 0.206 121.530 121.223 0.169 0.000 2.872 265 L HA 0.204 4.691 4.340 0.245 0.000 0.245 265 L C 1.997 178.974 176.870 0.178 0.000 1.211 265 L CA 0.337 55.311 54.840 0.223 0.000 1.013 265 L CB -0.519 41.696 42.059 0.260 0.000 1.326 265 L HN 0.566 nan 8.230 nan 0.000 0.525 266 R N -1.800 118.733 120.500 0.055 0.000 2.127 266 R HA -0.146 4.341 4.340 0.245 0.000 0.238 266 R C 0.844 177.147 176.300 0.006 0.000 1.134 266 R CA 1.767 57.891 56.100 0.040 0.000 0.975 266 R CB -0.429 29.814 30.300 -0.094 0.000 0.865 266 R HN 0.202 nan 8.270 nan 0.000 0.447 267 D N 0.126 120.476 120.400 -0.084 0.000 2.269 267 D HA -0.089 4.698 4.640 0.245 0.000 0.208 267 D C 1.384 177.460 176.300 -0.373 0.000 0.963 267 D CA 1.046 54.883 54.000 -0.272 0.000 0.864 267 D CB -0.012 40.520 40.800 -0.447 0.000 0.936 267 D HN 0.546 nan 8.370 nan 0.000 0.505 268 H N -1.102 118.038 119.070 0.117 0.000 3.058 268 H HA 0.263 4.967 4.556 0.245 0.000 0.258 268 H C 0.760 176.138 175.328 0.084 0.000 1.015 268 H CA -0.338 55.780 56.048 0.117 0.000 1.210 268 H CB 1.579 31.493 29.762 0.254 0.000 1.481 268 H HN 0.106 nan 8.280 nan 0.000 0.492 269 I N 2.629 123.313 120.570 0.190 0.000 2.396 269 I HA -0.010 4.307 4.170 0.245 0.000 0.292 269 I C 1.211 177.367 176.117 0.066 0.000 0.999 269 I CA -0.227 61.154 61.300 0.135 0.000 1.310 269 I CB 1.020 39.121 38.000 0.169 0.000 1.404 269 I HN -0.067 nan 8.210 nan 0.000 0.496 270 V N 3.275 123.187 119.914 -0.004 0.000 3.502 270 V HA 0.684 4.951 4.120 0.245 0.000 0.288 270 V C 0.391 176.497 176.094 0.019 0.000 1.461 270 V CA 0.419 62.693 62.300 -0.043 0.000 1.029 270 V CB -0.279 31.416 31.823 -0.213 0.000 0.843 270 V HN 0.866 nan 8.190 nan 0.000 0.438 271 G N 0.007 108.830 108.800 0.038 0.000 2.387 271 G HA2 0.553 4.660 3.960 0.245 0.000 0.294 271 G HA3 0.553 4.660 3.960 0.245 0.000 0.294 271 G C -1.808 173.133 174.900 0.069 0.000 1.509 271 G CA -0.795 44.370 45.100 0.108 0.000 0.806 271 G HN 0.207 nan 8.290 nan 0.000 0.546 272 L N 0.545 121.820 121.223 0.087 0.000 2.313 272 L HA 0.673 5.160 4.340 0.245 0.000 0.268 272 L C -0.325 176.578 176.870 0.055 0.000 1.010 272 L CA -1.260 53.621 54.840 0.069 0.000 0.814 272 L CB 2.274 44.367 42.059 0.055 0.000 1.304 272 L HN 0.539 nan 8.230 nan 0.000 0.441 273 N N -0.153 118.569 118.700 0.037 0.000 2.295 273 N HA 0.240 5.127 4.740 0.245 0.000 0.293 273 N C -1.409 174.010 175.510 -0.152 0.000 1.040 273 N CA -0.466 52.542 53.050 -0.070 0.000 0.840 273 N CB 2.112 40.586 38.487 -0.022 0.000 1.468 273 N HN 0.540 nan 8.380 nan 0.000 0.478 274 C N 2.587 121.716 119.300 -0.285 0.000 2.428 274 C HA 0.340 4.947 4.460 0.245 0.000 0.362 274 C C 1.463 176.325 174.990 -0.215 0.000 1.114 274 C CA -0.734 58.093 59.018 -0.318 0.000 1.473 274 C CB -1.632 25.768 27.740 -0.568 0.000 2.003 274 C HN 0.604 nan 8.230 nan 0.000 0.526 275 G N 3.730 112.496 108.800 -0.057 0.000 2.821 275 G HA2 0.151 4.258 3.960 0.245 0.000 0.289 275 G HA3 0.151 4.258 3.960 0.245 0.000 0.289 275 G C 1.171 176.120 174.900 0.082 0.000 0.771 275 G CA -0.470 44.617 45.100 -0.021 0.000 1.908 275 G HN 0.948 nan 8.290 nan 0.000 0.539 276 R N 0.203 120.652 120.500 -0.086 0.000 2.120 276 R HA -0.092 4.395 4.340 0.245 0.000 0.234 276 R C 1.380 177.570 176.300 -0.183 0.000 1.123 276 R CA 0.945 56.930 56.100 -0.192 0.000 0.975 276 R CB -0.226 29.763 30.300 -0.518 0.000 0.866 276 R HN 0.579 nan 8.270 nan 0.000 0.446 277 W N 1.631 123.011 121.300 0.133 0.000 2.407 277 W HA 0.020 4.825 4.660 0.242 0.000 0.305 277 W C 2.073 178.711 176.519 0.198 0.000 1.196 277 W CA 0.521 57.941 57.345 0.126 0.000 1.311 277 W CB -0.303 29.201 29.460 0.072 0.000 1.135 277 W HN 0.026 nan 8.180 nan 0.000 0.514 278 D N -0.464 120.197 120.400 0.435 0.000 2.149 278 D HA -0.237 4.550 4.640 0.245 0.000 0.198 278 D C 1.720 178.209 176.300 0.316 0.000 0.990 278 D CA 1.398 55.659 54.000 0.435 0.000 0.839 278 D CB -0.428 40.603 40.800 0.384 0.000 0.948 278 D HN 0.158 nan 8.370 nan 0.000 0.460 279 Y N 1.383 121.738 120.300 0.091 0.000 2.145 279 Y HA -0.178 4.522 4.550 0.250 0.000 0.286 279 Y C 2.290 178.207 175.900 0.029 0.000 1.145 279 Y CA 1.242 59.311 58.100 -0.052 0.000 1.148 279 Y CB -0.350 37.914 38.460 -0.325 0.000 0.981 279 Y HN -0.085 nan 8.280 nan 0.000 0.507 280 I N -1.192 119.462 120.570 0.140 0.000 2.179 280 I HA -0.297 4.020 4.170 0.245 0.000 0.242 280 I C 2.245 178.492 176.117 0.217 0.000 1.088 280 I CA 1.296 62.690 61.300 0.157 0.000 1.357 280 I CB -0.620 37.492 38.000 0.187 0.000 1.051 280 I HN 0.236 nan 8.210 nan 0.000 0.409 281 F N 1.374 121.372 119.950 0.080 0.000 2.065 281 F HA -0.313 4.356 4.527 0.236 0.000 0.298 281 F C 2.747 178.526 175.800 -0.035 0.000 1.112 281 F CA 1.930 59.947 58.000 0.029 0.000 1.212 281 F CB -1.003 38.021 39.000 0.039 0.000 0.975 281 F HN 0.016 nan 8.300 nan 0.000 0.476 282 S N -0.970 114.566 115.700 -0.273 0.000 2.382 282 S HA -0.265 4.352 4.470 0.245 0.000 0.228 282 S C 2.120 176.545 174.600 -0.291 0.000 1.027 282 S CA 1.142 59.070 58.200 -0.453 0.000 0.991 282 S CB -1.066 61.924 63.200 -0.349 0.000 0.823 282 S HN 0.605 nan 8.310 nan 0.000 0.469 283 Y N 1.765 121.859 120.300 -0.343 0.000 2.081 283 Y HA -0.175 4.522 4.550 0.244 0.000 0.280 283 Y C 1.915 177.714 175.900 -0.169 0.000 1.163 283 Y CA 2.170 60.099 58.100 -0.285 0.000 1.135 283 Y CB -0.347 37.966 38.460 -0.244 0.000 0.970 283 Y HN 0.295 nan 8.280 nan 0.000 0.498 284 I N 0.773 121.430 120.570 0.145 0.000 2.179 284 I HA -0.346 3.971 4.170 0.245 0.000 0.242 284 I C 2.405 178.508 176.117 -0.024 0.000 1.088 284 I CA 2.178 63.555 61.300 0.129 0.000 1.357 284 I CB -0.469 37.647 38.000 0.193 0.000 1.051 284 I HN 0.285 nan 8.210 nan 0.000 0.409 285 K N 0.182 120.485 120.400 -0.161 0.000 2.155 285 K HA -0.025 4.442 4.320 0.245 0.000 0.203 285 K C 1.838 178.284 176.600 -0.257 0.000 1.052 285 K CA 1.486 57.610 56.287 -0.271 0.000 0.948 285 K CB -0.656 31.576 32.500 -0.445 0.000 0.728 285 K HN 0.122 nan 8.250 nan 0.000 0.448 286 T N 1.875 116.266 114.554 -0.273 0.000 2.821 286 T HA 0.018 4.515 4.350 0.245 0.000 0.267 286 T C 1.277 175.875 174.700 -0.170 0.000 1.046 286 T CA 0.900 62.858 62.100 -0.237 0.000 1.139 286 T CB -0.060 68.647 68.868 -0.269 0.000 0.871 286 T HN 0.157 nan 8.240 nan 0.000 0.454 287 L N 1.757 122.859 121.223 -0.201 0.000 2.848 287 L HA 0.278 4.765 4.340 0.245 0.000 0.240 287 L C 1.998 178.975 176.870 0.179 0.000 1.232 287 L CA -0.219 54.565 54.840 -0.093 0.000 1.031 287 L CB -0.170 41.617 42.059 -0.453 0.000 1.338 287 L HN 0.323 nan 8.230 nan 0.000 0.509 288 K N -1.222 119.260 120.400 0.137 0.000 2.211 288 K HA -0.145 4.322 4.320 0.245 0.000 0.204 288 K C 0.835 177.666 176.600 0.385 0.000 1.047 288 K CA 1.388 57.819 56.287 0.239 0.000 0.935 288 K CB -0.095 32.429 32.500 0.040 0.000 0.728 288 K HN 0.185 nan 8.250 nan 0.000 0.452 289 N N -0.072 118.799 118.700 0.284 0.000 2.276 289 N HA 0.079 4.966 4.740 0.245 0.000 0.212 289 N C -1.222 174.289 175.510 0.002 0.000 1.127 289 N CA 0.069 53.228 53.050 0.183 0.000 0.834 289 N CB 0.255 38.726 38.487 -0.027 0.000 1.014 289 N HN 0.236 nan 8.380 nan 0.000 0.491 290 Y N 0.286 120.691 120.300 0.174 0.000 2.464 290 Y HA 0.311 5.008 4.550 0.246 0.000 0.326 290 Y C -1.448 174.296 175.900 -0.259 0.000 0.969 290 Y CA -2.036 56.054 58.100 -0.016 0.000 1.270 290 Y CB 1.816 40.238 38.460 -0.063 0.000 1.103 290 Y HN 0.003 nan 8.280 nan 0.000 0.491 291 P HA -0.163 nan 4.420 nan 0.000 0.225 291 P C 0.607 177.731 177.300 -0.294 0.000 1.148 291 P CA 1.395 64.058 63.100 -0.727 0.000 0.779 291 P CB 0.343 31.819 31.700 -0.373 0.000 0.780 292 D N -1.090 119.245 120.400 -0.109 0.000 2.328 292 D HA -0.053 4.734 4.640 0.245 0.000 0.226 292 D C 0.940 177.234 176.300 -0.010 0.000 1.066 292 D CA 0.197 54.170 54.000 -0.045 0.000 0.861 292 D CB -0.304 40.490 40.800 -0.011 0.000 0.912 292 D HN 0.033 nan 8.370 nan 0.000 0.521 293 R N 0.710 121.214 120.500 0.006 0.000 2.696 293 R HA 0.261 4.748 4.340 0.245 0.000 0.355 293 R C -0.301 176.094 176.300 0.159 0.000 1.138 293 R CA -0.435 55.706 56.100 0.068 0.000 1.059 293 R CB 0.614 30.891 30.300 -0.038 0.000 1.380 293 R HN 0.049 nan 8.270 nan 0.000 0.578 294 V N 2.524 122.506 119.914 0.113 0.000 2.488 294 V HA 0.199 4.466 4.120 0.245 0.000 0.277 294 V C 0.876 177.098 176.094 0.214 0.000 1.046 294 V CA -0.294 62.133 62.300 0.212 0.000 0.986 294 V CB 1.320 33.248 31.823 0.174 0.000 0.989 294 V HN 0.176 nan 8.190 nan 0.000 0.475 295 L N 7.993 129.396 121.223 0.300 0.000 2.375 295 L HA 0.458 4.946 4.340 0.245 0.000 0.271 295 L C -1.726 175.383 176.870 0.399 0.000 1.107 295 L CA -1.534 53.451 54.840 0.240 0.000 0.806 295 L CB 1.635 43.801 42.059 0.179 0.000 1.146 295 L HN 0.470 nan 8.230 nan 0.000 0.447 296 P HA 0.104 nan 4.420 nan 0.000 0.312 296 P C -1.046 176.533 177.300 0.466 0.000 1.308 296 P CA -0.631 62.679 63.100 0.351 0.000 0.743 296 P CB 0.404 32.216 31.700 0.187 0.000 1.364 297 D N -0.084 120.573 120.400 0.428 0.000 2.629 297 D HA -0.079 4.708 4.640 0.245 0.000 0.228 297 D C 1.527 177.975 176.300 0.246 0.000 1.127 297 D CA 0.472 54.679 54.000 0.346 0.000 0.855 297 D CB 0.184 41.141 40.800 0.260 0.000 1.180 297 D HN 0.334 nan 8.370 nan 0.000 0.484 298 R N 1.373 121.991 120.500 0.198 0.000 2.091 298 R HA -0.230 4.257 4.340 0.245 0.000 0.238 298 R C 2.118 178.552 176.300 0.223 0.000 1.136 298 R CA 1.728 57.944 56.100 0.194 0.000 0.959 298 R CB 0.002 30.390 30.300 0.147 0.000 0.856 298 R HN 0.545 nan 8.270 nan 0.000 0.437 299 Q N -1.177 118.746 119.800 0.205 0.000 2.364 299 Q HA 0.056 4.543 4.340 0.245 0.000 0.207 299 Q C 1.694 177.816 176.000 0.204 0.000 0.970 299 Q CA 0.999 56.933 55.803 0.219 0.000 0.888 299 Q CB -0.406 28.451 28.738 0.198 0.000 0.951 299 Q HN 0.563 nan 8.270 nan 0.000 0.469 300 A N 0.233 123.163 122.820 0.184 0.000 2.169 300 A HA 0.332 4.799 4.320 0.245 0.000 0.212 300 A C 1.194 178.869 177.584 0.152 0.000 1.153 300 A CA 0.536 52.668 52.037 0.157 0.000 0.756 300 A CB 0.155 19.243 19.000 0.147 0.000 0.813 300 A HN 0.428 nan 8.150 nan 0.000 0.471 301 V N 2.813 122.828 119.914 0.169 0.000 2.222 301 V HA 0.244 4.511 4.120 0.245 0.000 0.253 301 V C 0.453 176.583 176.094 0.060 0.000 1.210 301 V CA 0.297 62.683 62.300 0.143 0.000 1.079 301 V CB -0.470 31.461 31.823 0.179 0.000 1.265 301 V HN 0.540 nan 8.190 nan 0.000 0.494 302 T N 1.045 115.617 114.554 0.030 0.000 2.950 302 T HA 0.490 4.987 4.350 0.245 0.000 0.288 302 T C 0.935 175.577 174.700 -0.096 0.000 1.035 302 T CA -0.914 61.179 62.100 -0.011 0.000 1.028 302 T CB 1.815 70.720 68.868 0.061 0.000 1.109 302 T HN 0.118 nan 8.240 nan 0.000 0.514 303 M N 1.650 121.186 119.600 -0.106 0.000 2.557 303 M HA -0.003 4.624 4.480 0.245 0.000 0.259 303 M C 1.614 177.854 176.300 -0.100 0.000 1.086 303 M CA 0.797 56.013 55.300 -0.140 0.000 1.096 303 M CB -1.166 31.363 32.600 -0.117 0.000 1.424 303 M HN 0.842 nan 8.290 nan 0.000 0.488 304 D N -0.329 120.041 120.400 -0.050 0.000 2.347 304 D HA -0.068 4.719 4.640 0.245 0.000 0.215 304 D C 0.260 176.546 176.300 -0.024 0.000 0.976 304 D CA 0.348 54.332 54.000 -0.027 0.000 0.884 304 D CB -0.104 40.699 40.800 0.004 0.000 0.915 304 D HN 0.069 nan 8.370 nan 0.000 0.526 305 K N 1.639 122.014 120.400 -0.040 0.000 2.436 305 K HA 0.097 4.564 4.320 0.245 0.000 0.275 305 K C -1.510 175.089 176.600 -0.002 0.000 0.999 305 K CA -1.794 54.498 56.287 0.009 0.000 0.980 305 K CB 0.550 33.085 32.500 0.059 0.000 0.919 305 K HN -0.089 nan 8.250 nan 0.000 0.484 306 P HA -0.207 nan 4.420 nan 0.000 0.216 306 P C 1.283 178.658 177.300 0.125 0.000 1.157 306 P CA 1.549 64.708 63.100 0.100 0.000 0.880 306 P CB -0.141 31.637 31.700 0.130 0.000 0.791 307 F N -1.447 118.523 119.950 0.032 0.000 2.216 307 F HA -0.077 4.598 4.527 0.247 0.000 0.300 307 F C 1.859 177.719 175.800 0.100 0.000 1.085 307 F CA 1.064 59.101 58.000 0.062 0.000 1.326 307 F CB -1.485 37.538 39.000 0.038 0.000 1.027 307 F HN -0.204 nan 8.300 nan 0.000 0.497 308 L N 0.813 121.616 121.223 -0.700 0.000 2.131 308 L HA -0.127 4.360 4.340 0.245 0.000 0.206 308 L C 2.696 179.490 176.870 -0.128 0.000 1.087 308 L CA 1.198 55.743 54.840 -0.490 0.000 0.767 308 L CB -0.873 40.787 42.059 -0.664 0.000 0.917 308 L HN 0.374 nan 8.230 nan 0.000 0.441 309 N N 0.793 119.420 118.700 -0.122 0.000 2.166 309 N HA -0.204 4.683 4.740 0.245 0.000 0.186 309 N C 1.815 177.295 175.510 -0.051 0.000 1.019 309 N CA 1.477 54.483 53.050 -0.073 0.000 0.856 309 N CB 0.196 38.653 38.487 -0.049 0.000 0.993 309 N HN 0.314 nan 8.380 nan 0.000 0.426 310 A N 0.473 123.293 122.820 0.001 0.000 1.902 310 A HA -0.183 4.285 4.320 0.245 0.000 0.217 310 A C 2.116 179.715 177.584 0.024 0.000 1.181 310 A CA 1.282 53.335 52.037 0.028 0.000 0.623 310 A CB -1.225 17.828 19.000 0.089 0.000 0.818 310 A HN 0.617 nan 8.150 nan 0.000 0.443 311 Y N 0.956 121.181 120.300 -0.125 0.000 2.097 311 Y HA -0.220 4.479 4.550 0.248 0.000 0.282 311 Y C 2.750 178.513 175.900 -0.229 0.000 1.152 311 Y CA 2.020 59.988 58.100 -0.219 0.000 1.136 311 Y CB -0.831 37.394 38.460 -0.392 0.000 0.975 311 Y HN 0.283 nan 8.280 nan 0.000 0.498 312 S N 0.158 115.603 115.700 -0.426 0.000 2.359 312 S HA -0.217 4.400 4.470 0.245 0.000 0.224 312 S C 2.147 176.526 174.600 -0.369 0.000 1.035 312 S CA 1.640 59.560 58.200 -0.466 0.000 1.018 312 S CB -0.376 62.670 63.200 -0.257 0.000 0.876 312 S HN 0.639 nan 8.310 nan 0.000 0.448 313 R N -0.110 120.245 120.500 -0.243 0.000 2.115 313 R HA 0.012 4.499 4.340 0.245 0.000 0.230 313 R C 2.296 178.478 176.300 -0.196 0.000 1.111 313 R CA 1.308 57.280 56.100 -0.214 0.000 0.976 313 R CB -0.474 29.747 30.300 -0.132 0.000 0.870 313 R HN 0.381 nan 8.270 nan 0.000 0.445 314 L N 0.974 122.107 121.223 -0.150 0.000 2.056 314 L HA -0.084 4.404 4.340 0.245 0.000 0.207 314 L C 2.029 178.807 176.870 -0.153 0.000 1.078 314 L CA 1.369 56.145 54.840 -0.107 0.000 0.749 314 L CB -0.393 41.652 42.059 -0.023 0.000 0.901 314 L HN 0.142 nan 8.230 nan 0.000 0.433 315 L N -1.040 120.051 121.223 -0.221 0.000 2.017 315 L HA -0.221 4.267 4.340 0.245 0.000 0.208 315 L C 2.415 179.109 176.870 -0.294 0.000 1.073 315 L CA 1.629 56.330 54.840 -0.233 0.000 0.745 315 L CB -0.217 41.655 42.059 -0.311 0.000 0.894 315 L HN 0.268 nan 8.230 nan 0.000 0.432 316 I N -0.020 120.305 120.570 -0.408 0.000 2.127 316 I HA -0.369 3.948 4.170 0.245 0.000 0.241 316 I C 2.645 178.456 176.117 -0.508 0.000 1.075 316 I CA 1.865 62.820 61.300 -0.574 0.000 1.334 316 I CB -0.431 37.216 38.000 -0.589 0.000 1.040 316 I HN 0.293 nan 8.210 nan 0.000 0.405 317 K N 0.489 120.710 120.400 -0.298 0.000 2.026 317 K HA -0.184 4.283 4.320 0.245 0.000 0.208 317 K C 2.068 178.572 176.600 -0.159 0.000 1.048 317 K CA 2.089 58.264 56.287 -0.187 0.000 0.929 317 K CB -0.112 32.307 32.500 -0.134 0.000 0.713 317 K HN 0.252 nan 8.250 nan 0.000 0.439 318 T N 0.487 114.948 114.554 -0.154 0.000 2.777 318 T HA -0.139 4.358 4.350 0.245 0.000 0.266 318 T C 2.084 176.717 174.700 -0.112 0.000 1.040 318 T CA 1.311 63.342 62.100 -0.115 0.000 1.141 318 T CB -0.433 68.397 68.868 -0.063 0.000 0.868 318 T HN 0.350 nan 8.240 nan 0.000 0.444 319 C N 1.021 120.243 119.300 -0.129 0.000 2.432 319 C HA -0.086 4.521 4.460 0.245 0.000 0.277 319 C C 2.554 177.557 174.990 0.022 0.000 1.249 319 C CA 0.543 59.526 59.018 -0.059 0.000 1.725 319 C CB -1.288 26.404 27.740 -0.081 0.000 2.028 319 C HN 0.687 nan 8.230 nan 0.000 0.477 320 H N 0.136 119.142 119.070 -0.108 0.000 2.423 320 H HA -0.151 4.553 4.556 0.246 0.000 0.297 320 H C 2.333 177.583 175.328 -0.131 0.000 1.075 320 H CA 1.250 57.227 56.048 -0.118 0.000 1.342 320 H CB -0.055 29.629 29.762 -0.130 0.000 1.395 320 H HN 0.478 nan 8.280 nan 0.000 0.530 321 K N 1.026 121.403 120.400 -0.039 0.000 2.113 321 K HA -0.152 4.315 4.320 0.245 0.000 0.208 321 K C 1.342 177.810 176.600 -0.220 0.000 1.047 321 K CA 1.228 57.430 56.287 -0.142 0.000 0.928 321 K CB 0.263 32.647 32.500 -0.194 0.000 0.716 321 K HN 0.123 nan 8.250 nan 0.000 0.446 322 R N -0.921 119.447 120.500 -0.219 0.000 2.393 322 R HA 0.137 4.624 4.340 0.245 0.000 0.244 322 R C 0.814 177.076 176.300 -0.065 0.000 0.920 322 R CA 0.680 56.620 56.100 -0.266 0.000 1.076 322 R CB 0.403 30.505 30.300 -0.330 0.000 1.119 322 R HN 0.468 nan 8.270 nan 0.000 0.524 323 G N 0.801 109.588 108.800 -0.020 0.000 2.160 323 G HA2 -0.290 3.817 3.960 0.245 0.000 0.251 323 G HA3 -0.290 3.817 3.960 0.245 0.000 0.251 323 G C 0.160 175.125 174.900 0.109 0.000 1.008 323 G CA 0.401 45.517 45.100 0.027 0.000 0.724 323 G HN 0.589 nan 8.290 nan 0.000 0.514 324 A N -0.681 122.224 122.820 0.142 0.000 2.320 324 A HA 0.857 5.324 4.320 0.245 0.000 0.334 324 A C 0.026 177.803 177.584 0.322 0.000 1.147 324 A CA -0.736 51.439 52.037 0.230 0.000 0.820 324 A CB 0.838 19.937 19.000 0.165 0.000 1.218 324 A HN 0.530 nan 8.150 nan 0.000 0.482 325 F N 0.386 120.389 119.950 0.087 0.000 2.496 325 F HA 0.409 5.082 4.527 0.245 0.000 0.344 325 F C 1.063 176.919 175.800 0.093 0.000 1.155 325 F CA 0.487 58.560 58.000 0.122 0.000 1.302 325 F CB 1.055 40.092 39.000 0.063 0.000 1.159 325 F HN 0.576 nan 8.300 nan 0.000 0.595 326 A N 5.015 127.951 122.820 0.195 0.000 2.536 326 A HA 0.569 5.036 4.320 0.245 0.000 0.329 326 A C -0.560 177.181 177.584 0.261 0.000 1.321 326 A CA -0.731 51.356 52.037 0.083 0.000 0.804 326 A CB -0.190 18.658 19.000 -0.253 0.000 1.126 326 A HN 0.510 nan 8.150 nan 0.000 0.480 327 M N 1.832 121.530 119.600 0.164 0.000 2.216 327 M HA 0.349 4.976 4.480 0.245 0.000 0.356 327 M C 0.982 177.087 176.300 -0.325 0.000 1.205 327 M CA -0.269 55.048 55.300 0.028 0.000 1.122 327 M CB 0.818 33.455 32.600 0.061 0.000 1.571 327 M HN 0.664 nan 8.290 nan 0.000 0.464 328 G N 1.125 109.573 108.800 -0.585 0.000 2.563 328 G HA2 0.623 4.730 3.960 0.245 0.000 0.283 328 G HA3 0.623 4.730 3.960 0.245 0.000 0.283 328 G C 0.136 174.656 174.900 -0.632 0.000 1.309 328 G CA -0.241 44.339 45.100 -0.866 0.000 1.022 328 G HN 0.804 nan 8.290 nan 0.000 0.501 329 G N -1.379 107.138 108.800 -0.471 0.000 3.119 329 G HA2 0.628 4.735 3.960 0.245 0.000 0.206 329 G HA3 0.628 4.735 3.960 0.245 0.000 0.206 329 G C -0.341 174.554 174.900 -0.008 0.000 1.313 329 G CA -0.624 44.261 45.100 -0.359 0.000 1.010 329 G HN 0.904 nan 8.290 nan 0.000 0.578 330 M N -1.734 117.970 119.600 0.173 0.000 2.644 330 M HA 0.763 5.390 4.480 0.245 0.000 0.304 330 M C 0.385 176.889 176.300 0.340 0.000 1.215 330 M CA -0.975 54.500 55.300 0.292 0.000 0.871 330 M CB 2.614 35.444 32.600 0.384 0.000 1.740 330 M HN 0.478 nan 8.290 nan 0.000 0.464 331 A N 1.753 124.706 122.820 0.223 0.000 2.095 331 A HA 0.592 5.059 4.320 0.245 0.000 0.212 331 A C 1.501 178.968 177.584 -0.195 0.000 1.162 331 A CA 0.700 52.796 52.037 0.098 0.000 0.753 331 A CB -0.491 18.568 19.000 0.098 0.000 0.840 331 A HN 2.017 nan 8.150 nan 0.000 0.468 332 A N -2.459 120.294 122.820 -0.111 0.000 3.021 332 A HA -0.172 4.295 4.320 0.245 0.000 0.257 332 A C -0.002 177.421 177.584 -0.268 0.000 1.277 332 A CA 0.955 52.843 52.037 -0.250 0.000 1.012 332 A CB -2.849 15.850 19.000 -0.501 0.000 1.147 332 A HN 0.562 nan 8.150 nan 0.000 0.861 333 F N 0.030 120.017 119.950 0.062 0.000 2.410 333 F HA 0.604 5.279 4.527 0.246 0.000 0.348 333 F C 0.913 176.703 175.800 -0.017 0.000 1.106 333 F CA -0.879 57.137 58.000 0.026 0.000 1.163 333 F CB 0.621 39.643 39.000 0.036 0.000 1.129 333 F HN 0.179 nan 8.300 nan 0.000 0.516 334 I N 5.001 125.654 120.570 0.137 0.000 2.428 334 I HA 0.246 4.563 4.170 0.245 0.000 0.289 334 I C -2.044 174.002 176.117 -0.119 0.000 1.019 334 I CA -1.956 59.332 61.300 -0.019 0.000 1.351 334 I CB 0.824 38.822 38.000 -0.003 0.000 1.412 334 I HN 0.332 nan 8.210 nan 0.000 0.513 335 P HA -0.009 nan 4.420 nan 0.000 0.268 335 P C -0.579 176.588 177.300 -0.222 0.000 1.208 335 P CA -0.048 62.889 63.100 -0.272 0.000 0.777 335 P CB 0.586 32.059 31.700 -0.379 0.000 0.875 336 S N 0.751 116.322 115.700 -0.215 0.000 2.565 336 S HA 0.193 4.810 4.470 0.245 0.000 0.290 336 S C 1.118 175.685 174.600 -0.055 0.000 1.150 336 S CA -0.641 57.468 58.200 -0.152 0.000 1.058 336 S CB 0.720 63.739 63.200 -0.302 0.000 1.032 336 S HN 0.143 nan 8.310 nan 0.000 0.510 337 K N 2.069 122.472 120.400 0.006 0.000 2.366 337 K HA 0.058 4.525 4.320 0.245 0.000 0.198 337 K C 0.144 176.767 176.600 0.038 0.000 1.044 337 K CA 0.863 57.166 56.287 0.026 0.000 0.973 337 K CB -0.640 31.885 32.500 0.041 0.000 0.767 337 K HN 0.816 nan 8.250 nan 0.000 0.475 338 D N 0.384 120.822 120.400 0.063 0.000 2.312 338 D HA 0.037 4.824 4.640 0.245 0.000 0.252 338 D C 1.077 177.412 176.300 0.059 0.000 1.150 338 D CA -0.037 54.008 54.000 0.076 0.000 0.870 338 D CB 1.099 41.975 40.800 0.127 0.000 1.153 338 D HN 0.208 nan 8.370 nan 0.000 0.457 339 E N 2.374 122.599 120.200 0.042 0.000 2.077 339 E HA -0.247 4.250 4.350 0.245 0.000 0.193 339 E C 0.960 177.581 176.600 0.034 0.000 0.989 339 E CA 1.227 57.644 56.400 0.027 0.000 0.800 339 E CB 0.282 29.995 29.700 0.023 0.000 0.746 339 E HN 0.532 nan 8.360 nan 0.000 0.452 340 E N -0.364 119.867 120.200 0.052 0.000 2.047 340 E HA -0.172 4.325 4.350 0.245 0.000 0.191 340 E C 1.879 178.537 176.600 0.096 0.000 0.987 340 E CA 1.341 57.775 56.400 0.055 0.000 0.799 340 E CB -0.433 29.295 29.700 0.046 0.000 0.752 340 E HN 0.435 nan 8.360 nan 0.000 0.449 341 H N -0.169 118.897 119.070 -0.008 0.000 2.353 341 H HA -0.116 4.586 4.556 0.245 0.000 0.300 341 H C 1.866 177.181 175.328 -0.022 0.000 1.090 341 H CA 1.276 57.315 56.048 -0.015 0.000 1.327 341 H CB 0.212 29.970 29.762 -0.007 0.000 1.383 341 H HN 0.071 nan 8.280 nan 0.000 0.508 342 N N 0.464 119.126 118.700 -0.063 0.000 2.223 342 N HA -0.146 4.741 4.740 0.245 0.000 0.185 342 N C 1.529 176.993 175.510 -0.077 0.000 1.016 342 N CA 1.257 54.224 53.050 -0.138 0.000 0.863 342 N CB -0.175 38.261 38.487 -0.085 0.000 0.983 342 N HN 0.343 nan 8.380 nan 0.000 0.429 343 N N 0.469 119.155 118.700 -0.024 0.000 2.104 343 N HA -0.144 4.743 4.740 0.245 0.000 0.190 343 N C 1.480 176.978 175.510 -0.020 0.000 1.024 343 N CA 0.917 53.960 53.050 -0.011 0.000 0.853 343 N CB -0.355 38.136 38.487 0.006 0.000 1.008 343 N HN 0.429 nan 8.380 nan 0.000 0.424 344 Q N 0.396 120.190 119.800 -0.010 0.000 2.084 344 Q HA -0.034 4.453 4.340 0.245 0.000 0.202 344 Q C 2.239 178.185 176.000 -0.089 0.000 0.978 344 Q CA 0.797 56.588 55.803 -0.020 0.000 0.844 344 Q CB -0.460 28.304 28.738 0.042 0.000 0.898 344 Q HN 0.235 nan 8.270 nan 0.000 0.426 345 V N 1.516 121.347 119.914 -0.139 0.000 2.261 345 V HA -0.251 4.016 4.120 0.245 0.000 0.246 345 V C 2.463 178.498 176.094 -0.098 0.000 1.047 345 V CA 1.495 63.677 62.300 -0.196 0.000 1.015 345 V CB -0.660 31.026 31.823 -0.228 0.000 0.642 345 V HN 0.280 nan 8.190 nan 0.000 0.446 346 L N 0.201 121.391 121.223 -0.055 0.000 2.131 346 L HA -0.162 4.325 4.340 0.245 0.000 0.210 346 L C 2.434 179.309 176.870 0.008 0.000 1.092 346 L CA 1.345 56.182 54.840 -0.005 0.000 0.759 346 L CB -0.784 41.274 42.059 -0.001 0.000 0.903 346 L HN 0.397 nan 8.230 nan 0.000 0.435 347 N N 0.898 119.590 118.700 -0.012 0.000 2.188 347 N HA -0.176 4.711 4.740 0.245 0.000 0.184 347 N C 1.752 177.263 175.510 0.003 0.000 1.018 347 N CA 1.419 54.468 53.050 -0.002 0.000 0.858 347 N CB -0.169 38.313 38.487 -0.009 0.000 0.989 347 N HN 0.510 nan 8.380 nan 0.000 0.426 348 K N 0.298 120.678 120.400 -0.033 0.000 2.155 348 K HA 0.059 4.526 4.320 0.245 0.000 0.203 348 K C 1.721 178.382 176.600 0.103 0.000 1.052 348 K CA 0.813 57.090 56.287 -0.017 0.000 0.948 348 K CB -0.305 32.088 32.500 -0.178 0.000 0.728 348 K HN -0.136 nan 8.250 nan 0.000 0.448 349 V N 2.266 122.254 119.914 0.124 0.000 2.307 349 V HA -0.219 4.048 4.120 0.245 0.000 0.245 349 V C 2.633 178.815 176.094 0.147 0.000 1.045 349 V CA 2.012 64.433 62.300 0.202 0.000 1.024 349 V CB -0.543 31.394 31.823 0.191 0.000 0.651 349 V HN 0.437 nan 8.190 nan 0.000 0.449 350 K N 0.319 120.778 120.400 0.098 0.000 2.032 350 K HA -0.223 4.244 4.320 0.245 0.000 0.209 350 K C 2.198 178.838 176.600 0.067 0.000 1.048 350 K CA 1.732 58.066 56.287 0.078 0.000 0.927 350 K CB -0.361 32.169 32.500 0.050 0.000 0.712 350 K HN 0.424 nan 8.250 nan 0.000 0.441 351 A N 1.563 124.421 122.820 0.063 0.000 1.902 351 A HA -0.236 4.231 4.320 0.245 0.000 0.217 351 A C 2.018 179.643 177.584 0.069 0.000 1.181 351 A CA 2.025 54.094 52.037 0.054 0.000 0.623 351 A CB -0.788 18.243 19.000 0.051 0.000 0.818 351 A HN 0.571 nan 8.150 nan 0.000 0.443 352 D N -0.321 120.145 120.400 0.110 0.000 2.104 352 D HA -0.178 4.609 4.640 0.245 0.000 0.194 352 D C 1.548 177.911 176.300 0.105 0.000 0.994 352 D CA 1.377 55.449 54.000 0.119 0.000 0.830 352 D CB -0.057 40.850 40.800 0.178 0.000 0.959 352 D HN 0.179 nan 8.370 nan 0.000 0.452 353 K N 0.569 121.048 120.400 0.130 0.000 2.148 353 K HA -0.001 4.466 4.320 0.245 0.000 0.204 353 K C 2.366 178.982 176.600 0.026 0.000 1.050 353 K CA 0.362 56.749 56.287 0.166 0.000 0.942 353 K CB -0.638 32.012 32.500 0.249 0.000 0.724 353 K HN 0.052 nan 8.250 nan 0.000 0.446 354 S N 1.569 117.264 115.700 -0.008 0.000 2.382 354 S HA -0.019 4.598 4.470 0.245 0.000 0.228 354 S C 2.045 176.608 174.600 -0.061 0.000 1.027 354 S CA 0.784 58.940 58.200 -0.073 0.000 0.991 354 S CB -0.215 62.961 63.200 -0.039 0.000 0.823 354 S HN 0.180 nan 8.310 nan 0.000 0.469 355 L N 1.291 122.508 121.223 -0.010 0.000 2.017 355 L HA -0.158 4.329 4.340 0.245 0.000 0.208 355 L C 2.616 179.494 176.870 0.013 0.000 1.073 355 L CA 1.382 56.220 54.840 -0.003 0.000 0.745 355 L CB -0.592 41.475 42.059 0.013 0.000 0.894 355 L HN 0.361 nan 8.230 nan 0.000 0.432 356 E N 0.033 120.274 120.200 0.068 0.000 2.051 356 E HA -0.224 4.273 4.350 0.245 0.000 0.192 356 E C 2.290 178.971 176.600 0.134 0.000 0.991 356 E CA 1.209 57.737 56.400 0.213 0.000 0.799 356 E CB -0.168 29.690 29.700 0.263 0.000 0.748 356 E HN 0.502 nan 8.360 nan 0.000 0.449 357 A N 1.829 124.562 122.820 -0.146 0.000 1.902 357 A HA -0.197 4.270 4.320 0.245 0.000 0.217 357 A C 1.867 179.341 177.584 -0.183 0.000 1.181 357 A CA 1.462 53.252 52.037 -0.411 0.000 0.623 357 A CB -0.447 17.979 19.000 -0.956 0.000 0.818 357 A HN 0.128 nan 8.150 nan 0.000 0.443 358 N N 0.687 119.303 118.700 -0.141 0.000 2.244 358 N HA -0.103 4.784 4.740 0.245 0.000 0.183 358 N C 1.190 176.655 175.510 -0.075 0.000 1.016 358 N CA 1.114 54.107 53.050 -0.095 0.000 0.866 358 N CB -0.485 37.956 38.487 -0.076 0.000 0.980 358 N HN 0.435 nan 8.380 nan 0.000 0.430 359 N N -0.155 118.502 118.700 -0.071 0.000 2.459 359 N HA -0.008 4.879 4.740 0.245 0.000 0.181 359 N C 1.085 176.512 175.510 -0.138 0.000 1.046 359 N CA 1.087 54.074 53.050 -0.105 0.000 0.904 359 N CB 0.255 38.665 38.487 -0.129 0.000 0.964 359 N HN 0.409 nan 8.380 nan 0.000 0.444 360 G N -0.633 108.114 108.800 -0.088 0.000 2.183 360 G HA2 -0.181 3.926 3.960 0.245 0.000 0.168 360 G HA3 -0.181 3.926 3.960 0.245 0.000 0.168 360 G C -0.267 174.643 174.900 0.017 0.000 1.008 360 G CA -0.520 44.558 45.100 -0.036 0.000 0.677 360 G HN 0.346 nan 8.290 nan 0.000 0.498 361 H N 1.345 120.451 119.070 0.060 0.000 3.001 361 H HA 0.094 4.796 4.556 0.245 0.000 0.334 361 H C 1.021 176.497 175.328 0.247 0.000 1.034 361 H CA 0.827 56.942 56.048 0.113 0.000 1.420 361 H CB 0.823 30.671 29.762 0.143 0.000 1.405 361 H HN 0.273 nan 8.280 nan 0.000 0.593 362 D N 1.762 122.336 120.400 0.290 0.000 2.277 362 D HA 0.035 4.823 4.640 0.245 0.000 0.208 362 D C 1.215 177.606 176.300 0.152 0.000 0.962 362 D CA 0.802 54.892 54.000 0.150 0.000 0.865 362 D CB 0.813 41.517 40.800 -0.160 0.000 0.939 362 D HN 0.695 nan 8.370 nan 0.000 0.510 363 G N -1.082 107.728 108.800 0.017 0.000 2.428 363 G HA2 0.381 4.488 3.960 0.245 0.000 0.304 363 G HA3 0.381 4.488 3.960 0.245 0.000 0.304 363 G C -1.480 173.143 174.900 -0.462 0.000 1.303 363 G CA -0.294 44.489 45.100 -0.530 0.000 0.825 363 G HN -0.027 nan 8.290 nan 0.000 0.484 364 T N -1.383 112.890 114.554 -0.469 0.000 2.816 364 T HA 0.604 5.101 4.350 0.245 0.000 0.299 364 T C -1.834 172.952 174.700 0.144 0.000 1.230 364 T CA -0.414 61.580 62.100 -0.178 0.000 1.007 364 T CB 1.238 70.039 68.868 -0.112 0.000 1.289 364 T HN 0.462 nan 8.240 nan 0.000 0.508 365 W N 2.886 124.138 121.300 -0.080 0.000 2.512 365 W HA 0.730 5.537 4.660 0.244 0.000 0.335 365 W C 0.003 176.528 176.519 0.010 0.000 1.088 365 W CA -1.540 55.785 57.345 -0.034 0.000 1.236 365 W CB 0.623 30.064 29.460 -0.031 0.000 1.307 365 W HN 0.658 nan 8.180 nan 0.000 0.567 366 I N 0.005 120.679 120.570 0.173 0.000 2.892 366 I HA 0.839 5.156 4.170 0.245 0.000 0.306 366 I C 0.088 176.234 176.117 0.049 0.000 1.078 366 I CA -1.236 60.140 61.300 0.126 0.000 1.032 366 I CB 2.372 40.436 38.000 0.106 0.000 1.229 366 I HN 0.400 nan 8.210 nan 0.000 0.435 367 A N 2.623 125.489 122.820 0.077 0.000 2.589 367 A HA 0.382 4.849 4.320 0.245 0.000 0.283 367 A C -0.172 177.461 177.584 0.081 0.000 1.187 367 A CA 0.035 52.092 52.037 0.035 0.000 0.957 367 A CB -0.182 18.840 19.000 0.036 0.000 1.175 367 A HN 0.808 nan 8.150 nan 0.000 0.532 368 H N -0.478 118.585 119.070 -0.012 0.000 3.087 368 H HA 0.256 4.958 4.556 0.245 0.000 0.348 368 H C -2.811 172.510 175.328 -0.013 0.000 1.092 368 H CA -1.048 54.990 56.048 -0.016 0.000 1.285 368 H CB 2.475 32.240 29.762 0.005 0.000 1.875 368 H HN -0.044 nan 8.280 nan 0.000 0.512 369 P HA -0.041 nan 4.420 nan 0.000 0.222 369 P C 1.358 178.758 177.300 0.167 0.000 1.147 369 P CA 1.442 64.565 63.100 0.039 0.000 0.790 369 P CB 0.004 31.664 31.700 -0.066 0.000 0.780 370 G N -0.636 108.407 108.800 0.406 0.000 2.625 370 G HA2 -0.130 3.977 3.960 0.245 0.000 0.214 370 G HA3 -0.130 3.977 3.960 0.245 0.000 0.214 370 G C 1.190 176.154 174.900 0.107 0.000 1.132 370 G CA 0.241 45.469 45.100 0.214 0.000 0.782 370 G HN 0.276 nan 8.290 nan 0.000 0.538 371 L N -0.075 121.227 121.223 0.131 0.000 2.585 371 L HA 0.281 4.768 4.340 0.245 0.000 0.226 371 L C 2.975 179.905 176.870 0.099 0.000 1.113 371 L CA 0.359 55.259 54.840 0.101 0.000 0.876 371 L CB 0.079 42.209 42.059 0.119 0.000 1.072 371 L HN 0.200 nan 8.230 nan 0.000 0.468 372 A N 0.559 123.434 122.820 0.090 0.000 1.877 372 A HA -0.220 4.247 4.320 0.245 0.000 0.216 372 A C 1.869 179.499 177.584 0.077 0.000 1.186 372 A CA 1.965 54.047 52.037 0.075 0.000 0.620 372 A CB -0.363 18.669 19.000 0.053 0.000 0.822 372 A HN 0.305 nan 8.150 nan 0.000 0.443 373 D N -0.602 119.839 120.400 0.069 0.000 2.144 373 D HA -0.088 4.699 4.640 0.245 0.000 0.199 373 D C 2.018 178.364 176.300 0.076 0.000 0.984 373 D CA 1.800 55.839 54.000 0.064 0.000 0.834 373 D CB -0.692 40.139 40.800 0.051 0.000 0.955 373 D HN 0.403 nan 8.370 nan 0.000 0.465 374 T N 0.635 115.237 114.554 0.079 0.000 2.708 374 T HA -0.103 4.394 4.350 0.245 0.000 0.266 374 T C 2.023 176.797 174.700 0.123 0.000 1.037 374 T CA 1.607 63.760 62.100 0.087 0.000 1.146 374 T CB -0.290 68.627 68.868 0.082 0.000 0.865 374 T HN 0.195 nan 8.240 nan 0.000 0.435 375 A N 1.685 124.593 122.820 0.146 0.000 1.898 375 A HA -0.033 4.434 4.320 0.245 0.000 0.216 375 A C 2.342 180.077 177.584 0.252 0.000 1.181 375 A CA 1.285 53.450 52.037 0.213 0.000 0.620 375 A CB -0.577 18.529 19.000 0.177 0.000 0.819 375 A HN 0.302 nan 8.150 nan 0.000 0.442 376 M N -0.345 119.356 119.600 0.167 0.000 2.159 376 M HA -0.145 4.482 4.480 0.245 0.000 0.263 376 M C 2.503 178.902 176.300 0.165 0.000 1.063 376 M CA 1.618 57.014 55.300 0.160 0.000 1.110 376 M CB -1.390 31.272 32.600 0.103 0.000 1.374 376 M HN 0.506 nan 8.290 nan 0.000 0.411 377 A N -0.269 122.626 122.820 0.126 0.000 1.902 377 A HA -0.077 4.391 4.320 0.245 0.000 0.217 377 A C 2.414 180.048 177.584 0.083 0.000 1.181 377 A CA 1.606 53.697 52.037 0.091 0.000 0.623 377 A CB -0.905 18.134 19.000 0.065 0.000 0.818 377 A HN 0.296 nan 8.150 nan 0.000 0.443 378 V N -1.363 118.610 119.914 0.098 0.000 2.295 378 V HA -0.234 4.033 4.120 0.245 0.000 0.246 378 V C 2.302 178.355 176.094 -0.069 0.000 1.049 378 V CA 2.098 64.401 62.300 0.006 0.000 1.024 378 V CB -0.922 30.898 31.823 -0.006 0.000 0.648 378 V HN 0.566 nan 8.190 nan 0.000 0.447 379 F N 0.584 120.562 119.950 0.047 0.000 2.206 379 F HA -0.070 4.604 4.527 0.245 0.000 0.298 379 F C 2.361 178.185 175.800 0.039 0.000 1.090 379 F CA 1.261 59.290 58.000 0.048 0.000 1.323 379 F CB -0.583 38.455 39.000 0.064 0.000 1.028 379 F HN 0.177 nan 8.300 nan 0.000 0.492 380 N N 0.480 119.288 118.700 0.180 0.000 2.104 380 N HA -0.173 4.714 4.740 0.245 0.000 0.190 380 N C 1.425 176.969 175.510 0.057 0.000 1.024 380 N CA 1.617 54.732 53.050 0.108 0.000 0.853 380 N CB -0.600 37.940 38.487 0.088 0.000 1.008 380 N HN 0.218 nan 8.380 nan 0.000 0.424 381 D N 0.654 121.072 120.400 0.030 0.000 2.097 381 D HA -0.039 4.749 4.640 0.245 0.000 0.195 381 D C 2.101 178.388 176.300 -0.021 0.000 0.989 381 D CA 0.600 54.599 54.000 -0.001 0.000 0.827 381 D CB -0.212 40.579 40.800 -0.015 0.000 0.966 381 D HN 0.282 nan 8.370 nan 0.000 0.456 382 I N 0.264 120.800 120.570 -0.056 0.000 2.286 382 I HA -0.159 4.158 4.170 0.245 0.000 0.245 382 I C 2.278 178.380 176.117 -0.026 0.000 1.104 382 I CA 0.577 61.832 61.300 -0.075 0.000 1.397 382 I CB -0.116 37.780 38.000 -0.174 0.000 1.072 382 I HN -0.014 nan 8.210 nan 0.000 0.417 383 L N 0.259 121.494 121.223 0.020 0.000 2.156 383 L HA 0.004 4.491 4.340 0.245 0.000 0.208 383 L C 1.849 178.735 176.870 0.027 0.000 1.095 383 L CA 0.905 55.772 54.840 0.045 0.000 0.770 383 L CB -0.980 41.141 42.059 0.103 0.000 0.914 383 L HN 0.477 nan 8.230 nan 0.000 0.439 384 G N 0.632 109.448 108.800 0.026 0.000 2.629 384 G HA2 -0.464 3.643 3.960 0.245 0.000 0.313 384 G HA3 -0.464 3.643 3.960 0.245 0.000 0.313 384 G C 0.948 175.862 174.900 0.024 0.000 1.217 384 G CA 0.874 45.986 45.100 0.019 0.000 0.994 384 G HN 0.447 nan 8.290 nan 0.000 0.549 385 S N 0.854 116.564 115.700 0.016 0.000 2.562 385 S HA 0.289 4.906 4.470 0.245 0.000 0.221 385 S C 1.127 175.739 174.600 0.019 0.000 0.975 385 S CA 0.959 59.169 58.200 0.017 0.000 0.918 385 S CB 0.097 63.304 63.200 0.010 0.000 0.772 385 S HN 0.764 nan 8.310 nan 0.000 0.531 386 R N 0.857 121.368 120.500 0.019 0.000 2.528 386 R HA 0.444 4.931 4.340 0.245 0.000 0.271 386 R C 0.679 177.001 176.300 0.037 0.000 1.056 386 R CA -0.458 55.652 56.100 0.016 0.000 1.117 386 R CB 0.584 30.883 30.300 -0.002 0.000 1.085 386 R HN 0.142 nan 8.270 nan 0.000 0.530 387 K N 0.469 120.893 120.400 0.039 0.000 2.352 387 K HA 0.021 4.488 4.320 0.245 0.000 0.194 387 K C -0.093 176.559 176.600 0.085 0.000 1.038 387 K CA 0.517 56.849 56.287 0.074 0.000 1.023 387 K CB 0.190 32.743 32.500 0.088 0.000 0.840 387 K HN 0.617 nan 8.250 nan 0.000 0.519 388 N N -1.709 116.999 118.700 0.014 0.000 3.308 388 N HA 0.031 4.918 4.740 0.245 0.000 0.276 388 N C -1.088 174.345 175.510 -0.128 0.000 1.533 388 N CA -0.824 52.180 53.050 -0.077 0.000 0.878 388 N CB 0.628 38.948 38.487 -0.278 0.000 1.566 388 N HN -0.255 nan 8.380 nan 0.000 0.546 389 Q N -0.058 119.616 119.800 -0.210 0.000 2.211 389 Q HA 0.376 4.863 4.340 0.245 0.000 0.301 389 Q C 0.370 176.050 176.000 -0.535 0.000 0.884 389 Q CA -0.129 55.546 55.803 -0.212 0.000 1.115 389 Q CB 0.232 28.948 28.738 -0.037 0.000 1.217 389 Q HN 0.515 nan 8.270 nan 0.000 0.451 390 L N 1.327 122.165 121.223 -0.643 0.000 2.261 390 L HA -0.208 4.279 4.340 0.245 0.000 0.216 390 L C 2.522 179.010 176.870 -0.637 0.000 1.114 390 L CA 1.230 55.543 54.840 -0.879 0.000 0.777 390 L CB -0.253 41.517 42.059 -0.481 0.000 0.910 390 L HN 0.423 nan 8.230 nan 0.000 0.440 391 E N 0.413 120.394 120.200 -0.365 0.000 2.427 391 E HA -0.058 4.439 4.350 0.245 0.000 0.196 391 E C 0.624 177.135 176.600 -0.148 0.000 1.028 391 E CA 0.299 56.576 56.400 -0.205 0.000 0.864 391 E CB -0.145 29.476 29.700 -0.132 0.000 0.813 391 E HN 0.248 nan 8.360 nan 0.000 0.514 392 V N 3.230 123.054 119.914 -0.150 0.000 2.397 392 V HA 0.010 4.277 4.120 0.245 0.000 0.262 392 V C 1.145 177.294 176.094 0.092 0.000 1.047 392 V CA 0.209 62.503 62.300 -0.010 0.000 1.003 392 V CB 0.676 32.517 31.823 0.031 0.000 1.037 392 V HN 0.263 nan 8.190 nan 0.000 0.480 393 M N 3.344 122.952 119.600 0.013 0.000 2.371 393 M HA 0.257 4.884 4.480 0.245 0.000 0.246 393 M C 1.021 177.302 176.300 -0.031 0.000 1.103 393 M CA 0.096 55.397 55.300 0.001 0.000 1.010 393 M CB -0.373 32.210 32.600 -0.028 0.000 1.457 393 M HN 0.612 nan 8.290 nan 0.000 0.486 394 R N 0.510 120.988 120.500 -0.036 0.000 3.322 394 R HA -0.206 4.281 4.340 0.245 0.000 0.253 394 R C 0.908 177.178 176.300 -0.049 0.000 0.987 394 R CA 0.678 56.746 56.100 -0.052 0.000 0.666 394 R CB -2.641 27.613 30.300 -0.078 0.000 1.072 394 R HN 0.626 nan 8.270 nan 0.000 0.447 395 E N 1.446 121.621 120.200 -0.042 0.000 2.338 395 E HA -0.210 4.287 4.350 0.245 0.000 0.197 395 E C 1.960 178.540 176.600 -0.035 0.000 1.007 395 E CA 1.239 57.616 56.400 -0.039 0.000 0.849 395 E CB -0.253 29.425 29.700 -0.036 0.000 0.774 395 E HN 0.706 nan 8.360 nan 0.000 0.506 396 Q N 0.669 120.448 119.800 -0.034 0.000 2.291 396 Q HA -0.085 4.402 4.340 0.245 0.000 0.205 396 Q C -0.414 175.568 176.000 -0.029 0.000 0.970 396 Q CA 1.039 56.825 55.803 -0.030 0.000 0.876 396 Q CB -0.371 28.350 28.738 -0.029 0.000 0.935 396 Q HN 0.412 nan 8.270 nan 0.000 0.455 397 D N 1.962 122.341 120.400 -0.035 0.000 2.351 397 D HA 0.410 5.197 4.640 0.245 0.000 0.251 397 D C -0.406 175.878 176.300 -0.027 0.000 1.137 397 D CA 0.226 54.206 54.000 -0.033 0.000 0.879 397 D CB 1.239 42.013 40.800 -0.044 0.000 1.181 397 D HN 0.390 nan 8.370 nan 0.000 0.448 398 A N 3.689 126.499 122.820 -0.017 0.000 2.386 398 A HA 0.409 4.876 4.320 0.245 0.000 0.246 398 A C -1.974 175.604 177.584 -0.010 0.000 1.089 398 A CA -0.936 51.095 52.037 -0.011 0.000 0.790 398 A CB -0.441 18.559 19.000 0.000 0.000 1.042 398 A HN 0.402 nan 8.150 nan 0.000 0.497 399 P HA 0.163 nan 4.420 nan 0.000 0.266 399 P C -0.861 176.453 177.300 0.024 0.000 1.193 399 P CA 0.552 63.646 63.100 -0.010 0.000 0.770 399 P CB 0.222 31.915 31.700 -0.012 0.000 0.836 400 I N 1.841 122.435 120.570 0.040 0.000 2.336 400 I HA 0.272 4.589 4.170 0.245 0.000 0.292 400 I C 0.894 177.141 176.117 0.217 0.000 0.991 400 I CA -0.305 61.057 61.300 0.104 0.000 1.227 400 I CB 1.491 39.545 38.000 0.090 0.000 1.366 400 I HN 0.355 nan 8.210 nan 0.000 0.466 401 T N 2.107 116.801 114.554 0.233 0.000 2.952 401 T HA 0.569 5.066 4.350 0.245 0.000 0.286 401 T C 1.042 175.944 174.700 0.336 0.000 1.024 401 T CA -0.300 61.993 62.100 0.323 0.000 1.029 401 T CB 1.933 70.923 68.868 0.204 0.000 1.094 401 T HN 0.575 nan 8.240 nan 0.000 0.515 402 A N 1.130 124.173 122.820 0.372 0.000 1.892 402 A HA -0.112 4.355 4.320 0.245 0.000 0.218 402 A C 1.915 179.627 177.584 0.213 0.000 1.188 402 A CA 2.049 54.285 52.037 0.331 0.000 0.631 402 A CB -1.257 17.830 19.000 0.144 0.000 0.822 402 A HN 0.905 nan 8.150 nan 0.000 0.447 403 D N -0.525 119.963 120.400 0.148 0.000 2.149 403 D HA -0.166 4.621 4.640 0.245 0.000 0.198 403 D C 2.205 178.579 176.300 0.124 0.000 0.990 403 D CA 1.668 55.730 54.000 0.103 0.000 0.839 403 D CB -0.379 40.469 40.800 0.080 0.000 0.948 403 D HN 0.673 nan 8.370 nan 0.000 0.460 404 Q N -0.322 119.566 119.800 0.147 0.000 2.083 404 Q HA 0.014 4.501 4.340 0.245 0.000 0.198 404 Q C 2.397 178.516 176.000 0.199 0.000 0.969 404 Q CA 0.601 56.495 55.803 0.152 0.000 0.838 404 Q CB -0.041 28.778 28.738 0.135 0.000 0.900 404 Q HN 0.290 nan 8.270 nan 0.000 0.436 405 L N 0.086 121.433 121.223 0.207 0.000 2.201 405 L HA -0.139 4.348 4.340 0.245 0.000 0.212 405 L C 1.764 178.829 176.870 0.324 0.000 1.105 405 L CA 0.786 55.771 54.840 0.242 0.000 0.775 405 L CB -0.075 42.032 42.059 0.080 0.000 0.913 405 L HN 0.230 nan 8.230 nan 0.000 0.440 406 L N -0.554 120.814 121.223 0.242 0.000 2.607 406 L HA 0.249 4.736 4.340 0.245 0.000 0.228 406 L C 1.223 178.167 176.870 0.123 0.000 1.123 406 L CA -0.591 54.347 54.840 0.163 0.000 0.890 406 L CB -0.172 41.901 42.059 0.024 0.000 1.103 406 L HN 0.062 nan 8.230 nan 0.000 0.468 407 A N 1.324 124.221 122.820 0.128 0.000 2.546 407 A HA 0.242 4.709 4.320 0.245 0.000 0.243 407 A C -2.085 175.484 177.584 -0.024 0.000 1.063 407 A CA -0.872 51.205 52.037 0.066 0.000 0.757 407 A CB -0.638 18.426 19.000 0.106 0.000 0.991 407 A HN -0.019 nan 8.150 nan 0.000 0.503 408 P HA 0.046 nan 4.420 nan 0.000 0.263 408 P C -0.225 177.015 177.300 -0.099 0.000 1.175 408 P CA 0.126 63.198 63.100 -0.047 0.000 0.761 408 P CB 0.311 32.005 31.700 -0.010 0.000 0.794 409 C N 2.746 121.936 119.300 -0.182 0.000 2.248 409 C HA 0.554 5.161 4.460 0.245 0.000 0.320 409 C C 0.210 175.194 174.990 -0.011 0.000 1.065 409 C CA -0.126 58.838 59.018 -0.090 0.000 1.558 409 C CB -1.600 26.046 27.740 -0.156 0.000 1.787 409 C HN 0.695 nan 8.230 nan 0.000 0.426 410 D N 2.048 122.455 120.400 0.011 0.000 2.302 410 D HA 0.661 5.448 4.640 0.245 0.000 0.248 410 D C 0.508 176.828 176.300 0.033 0.000 1.094 410 D CA 0.559 54.568 54.000 0.015 0.000 0.897 410 D CB 1.533 42.336 40.800 0.004 0.000 1.200 410 D HN 1.432 nan 8.370 nan 0.000 0.429 411 G N -0.310 108.508 108.800 0.029 0.000 2.488 411 G HA2 0.456 4.563 3.960 0.245 0.000 0.301 411 G HA3 0.456 4.563 3.960 0.245 0.000 0.301 411 G C -1.173 173.739 174.900 0.020 0.000 1.339 411 G CA -0.750 44.374 45.100 0.041 0.000 0.803 411 G HN 0.623 nan 8.290 nan 0.000 0.482 412 E N 0.514 120.733 120.200 0.032 0.000 2.366 412 E HA 0.223 4.720 4.350 0.245 0.000 0.266 412 E C -0.197 176.405 176.600 0.004 0.000 1.015 412 E CA 0.226 56.630 56.400 0.006 0.000 0.906 412 E CB 1.045 30.763 29.700 0.030 0.000 0.979 412 E HN 0.224 nan 8.360 nan 0.000 0.443 413 R N 2.361 122.777 120.500 -0.141 0.000 2.233 413 R HA 0.163 4.650 4.340 0.245 0.000 0.334 413 R C -0.024 176.173 176.300 -0.172 0.000 1.037 413 R CA -0.290 55.604 56.100 -0.344 0.000 0.920 413 R CB 0.802 30.482 30.300 -1.033 0.000 1.137 413 R HN 0.509 nan 8.270 nan 0.000 0.492 414 T N -2.196 112.406 114.554 0.081 0.000 2.918 414 T HA 0.153 4.650 4.350 0.245 0.000 0.286 414 T C 1.090 175.902 174.700 0.186 0.000 1.026 414 T CA -0.968 61.191 62.100 0.099 0.000 1.031 414 T CB 2.181 71.107 68.868 0.096 0.000 1.046 414 T HN 0.596 nan 8.240 nan 0.000 0.479 415 E N 0.572 120.848 120.200 0.126 0.000 2.085 415 E HA -0.246 4.252 4.350 0.245 0.000 0.194 415 E C 1.807 178.490 176.600 0.139 0.000 0.994 415 E CA 1.607 58.091 56.400 0.140 0.000 0.801 415 E CB -0.041 29.711 29.700 0.086 0.000 0.743 415 E HN 0.883 nan 8.360 nan 0.000 0.453 416 E N -0.570 119.694 120.200 0.108 0.000 2.085 416 E HA -0.176 4.321 4.350 0.245 0.000 0.194 416 E C 2.019 178.688 176.600 0.116 0.000 0.994 416 E CA 1.259 57.711 56.400 0.086 0.000 0.801 416 E CB -0.341 29.396 29.700 0.061 0.000 0.743 416 E HN 0.378 nan 8.360 nan 0.000 0.453 417 G N 1.222 110.126 108.800 0.173 0.000 2.418 417 G HA2 -0.313 3.794 3.960 0.245 0.000 0.217 417 G HA3 -0.313 3.794 3.960 0.245 0.000 0.217 417 G C 1.561 176.570 174.900 0.181 0.000 1.158 417 G CA 0.940 46.165 45.100 0.209 0.000 0.771 417 G HN 0.309 nan 8.290 nan 0.000 0.545 418 M N 0.002 119.762 119.600 0.267 0.000 2.086 418 M HA -0.010 4.617 4.480 0.245 0.000 0.261 418 M C 2.783 179.164 176.300 0.134 0.000 1.067 418 M CA 1.375 56.789 55.300 0.190 0.000 1.116 418 M CB -0.065 32.745 32.600 0.350 0.000 1.348 418 M HN 0.138 nan 8.290 nan 0.000 0.407 419 R N -0.039 120.540 120.500 0.132 0.000 2.096 419 R HA -0.079 4.408 4.340 0.245 0.000 0.235 419 R C 2.292 178.649 176.300 0.096 0.000 1.127 419 R CA 1.404 57.564 56.100 0.101 0.000 0.968 419 R CB -0.610 29.732 30.300 0.070 0.000 0.861 419 R HN 0.496 nan 8.270 nan 0.000 0.440 420 A N 1.681 124.552 122.820 0.085 0.000 1.902 420 A HA -0.189 4.278 4.320 0.245 0.000 0.217 420 A C 1.750 179.407 177.584 0.120 0.000 1.181 420 A CA 1.504 53.597 52.037 0.095 0.000 0.623 420 A CB -0.456 18.590 19.000 0.076 0.000 0.818 420 A HN 0.238 nan 8.150 nan 0.000 0.443 421 N N 0.183 118.929 118.700 0.077 0.000 2.149 421 N HA -0.111 4.777 4.740 0.245 0.000 0.188 421 N C 1.607 177.170 175.510 0.089 0.000 1.019 421 N CA 1.515 54.591 53.050 0.043 0.000 0.857 421 N CB -0.465 37.986 38.487 -0.061 0.000 0.997 421 N HN 0.600 nan 8.380 nan 0.000 0.426 422 I N 0.923 121.572 120.570 0.131 0.000 2.179 422 I HA -0.226 4.091 4.170 0.245 0.000 0.242 422 I C 2.348 178.575 176.117 0.183 0.000 1.088 422 I CA 1.030 62.442 61.300 0.187 0.000 1.357 422 I CB -0.145 37.971 38.000 0.193 0.000 1.051 422 I HN 0.070 nan 8.210 nan 0.000 0.409 423 R N 0.175 120.786 120.500 0.185 0.000 2.081 423 R HA -0.115 4.372 4.340 0.245 0.000 0.235 423 R C 2.314 178.757 176.300 0.240 0.000 1.131 423 R CA 1.241 57.480 56.100 0.233 0.000 0.960 423 R CB -0.450 30.029 30.300 0.297 0.000 0.856 423 R HN 0.238 nan 8.270 nan 0.000 0.436 424 V N 0.941 120.985 119.914 0.216 0.000 2.270 424 V HA -0.227 4.040 4.120 0.245 0.000 0.245 424 V C 2.471 178.656 176.094 0.150 0.000 1.043 424 V CA 1.991 64.388 62.300 0.161 0.000 1.014 424 V CB -0.704 31.189 31.823 0.117 0.000 0.645 424 V HN 0.395 nan 8.190 nan 0.000 0.447 425 A N -0.293 122.603 122.820 0.127 0.000 1.877 425 A HA -0.167 4.300 4.320 0.245 0.000 0.216 425 A C 2.391 180.077 177.584 0.171 0.000 1.186 425 A CA 2.146 54.256 52.037 0.120 0.000 0.620 425 A CB -0.738 18.308 19.000 0.077 0.000 0.822 425 A HN 0.324 nan 8.150 nan 0.000 0.443 426 V N -0.115 119.915 119.914 0.193 0.000 2.295 426 V HA -0.314 3.953 4.120 0.245 0.000 0.246 426 V C 2.653 178.887 176.094 0.233 0.000 1.049 426 V CA 2.309 64.740 62.300 0.218 0.000 1.024 426 V CB -0.873 31.108 31.823 0.263 0.000 0.648 426 V HN 0.645 nan 8.190 nan 0.000 0.447 427 Q N -1.551 118.410 119.800 0.268 0.000 2.119 427 Q HA -0.209 4.278 4.340 0.245 0.000 0.201 427 Q C 2.174 178.255 176.000 0.135 0.000 0.972 427 Q CA 1.900 57.866 55.803 0.271 0.000 0.847 427 Q CB -0.237 28.648 28.738 0.244 0.000 0.903 427 Q HN 0.773 nan 8.270 nan 0.000 0.433 428 Y N 1.100 121.437 120.300 0.061 0.000 2.145 428 Y HA -0.205 4.491 4.550 0.243 0.000 0.286 428 Y C 1.838 177.779 175.900 0.067 0.000 1.145 428 Y CA 1.332 59.459 58.100 0.045 0.000 1.148 428 Y CB -0.093 38.373 38.460 0.010 0.000 0.981 428 Y HN 0.009 nan 8.280 nan 0.000 0.507 429 I N 0.046 120.639 120.570 0.038 0.000 2.226 429 I HA -0.273 4.044 4.170 0.245 0.000 0.245 429 I C 2.592 178.665 176.117 -0.073 0.000 1.100 429 I CA 1.669 62.957 61.300 -0.020 0.000 1.374 429 I CB -0.456 37.564 38.000 0.033 0.000 1.057 429 I HN 0.290 nan 8.210 nan 0.000 0.413 430 E N 1.504 121.617 120.200 -0.144 0.000 2.077 430 E HA -0.250 4.247 4.350 0.245 0.000 0.193 430 E C 2.226 178.656 176.600 -0.283 0.000 0.989 430 E CA 1.695 57.894 56.400 -0.335 0.000 0.800 430 E CB 0.021 29.242 29.700 -0.798 0.000 0.746 430 E HN 0.474 nan 8.360 nan 0.000 0.452 431 A N 0.354 123.030 122.820 -0.240 0.000 1.873 431 A HA -0.180 4.287 4.320 0.245 0.000 0.215 431 A C 2.039 179.514 177.584 -0.181 0.000 1.186 431 A CA 1.405 53.317 52.037 -0.209 0.000 0.616 431 A CB -1.311 17.573 19.000 -0.194 0.000 0.823 431 A HN 0.542 nan 8.150 nan 0.000 0.442 432 W N 1.413 122.446 121.300 -0.445 0.000 2.355 432 W HA -0.206 4.607 4.660 0.254 0.000 0.309 432 W C 2.039 178.456 176.519 -0.170 0.000 1.206 432 W CA 2.295 59.428 57.345 -0.353 0.000 1.284 432 W CB -0.121 29.078 29.460 -0.434 0.000 1.145 432 W HN 0.455 nan 8.180 nan 0.000 0.502 433 I N -1.569 119.136 120.570 0.226 0.000 2.756 433 I HA -0.121 4.196 4.170 0.245 0.000 0.262 433 I C 1.454 177.547 176.117 -0.040 0.000 1.225 433 I CA 1.586 62.975 61.300 0.149 0.000 1.472 433 I CB -0.825 37.260 38.000 0.141 0.000 1.094 433 I HN -0.192 nan 8.210 nan 0.000 0.454 434 S N 1.124 116.763 115.700 -0.102 0.000 2.631 434 S HA 0.337 4.954 4.470 0.245 0.000 0.217 434 S C 1.448 175.961 174.600 -0.146 0.000 0.958 434 S CA 0.561 58.686 58.200 -0.125 0.000 0.920 434 S CB 0.217 63.331 63.200 -0.144 0.000 0.776 434 S HN 0.874 nan 8.310 nan 0.000 0.517 435 G N 2.239 110.912 108.800 -0.211 0.000 2.141 435 G HA2 -0.193 3.914 3.960 0.245 0.000 0.231 435 G HA3 -0.193 3.914 3.960 0.245 0.000 0.231 435 G C -0.418 174.340 174.900 -0.238 0.000 0.984 435 G CA -0.573 44.382 45.100 -0.241 0.000 0.660 435 G HN 0.476 nan 8.290 nan 0.000 0.525 436 N N 1.121 119.682 118.700 -0.232 0.000 2.564 436 N HA 0.543 5.430 4.740 0.245 0.000 0.248 436 N C 0.619 176.025 175.510 -0.174 0.000 0.986 436 N CA 0.408 53.356 53.050 -0.170 0.000 0.921 436 N CB 1.525 39.939 38.487 -0.122 0.000 1.136 436 N HN 0.435 nan 8.380 nan 0.000 0.509 440 P HA 0.632 nan 4.420 nan 0.000 0.282 440 P C -0.855 176.424 177.300 -0.034 0.000 1.262 440 P CA 0.009 63.117 63.100 0.014 0.000 0.773 440 P CB 1.022 32.741 31.700 0.032 0.000 0.879 441 I N 4.479 125.004 120.570 -0.074 0.000 2.512 441 I HA 0.185 4.502 4.170 0.245 0.000 0.287 441 I C -0.336 175.682 176.117 -0.165 0.000 1.069 441 I CA -1.029 60.107 61.300 -0.273 0.000 1.056 441 I CB 1.465 39.275 38.000 -0.317 0.000 1.229 441 I HN 0.252 nan 8.210 nan 0.000 0.429 442 Y N 4.452 124.803 120.300 0.085 0.000 3.305 442 Y HA -0.229 4.467 4.550 0.243 0.000 0.212 442 Y C 1.453 177.420 175.900 0.111 0.000 1.248 442 Y CA 0.957 59.110 58.100 0.089 0.000 1.359 442 Y CB -2.222 36.287 38.460 0.082 0.000 1.407 442 Y HN 1.008 nan 8.280 nan 0.000 0.572 443 G N -1.425 107.500 108.800 0.208 0.000 2.162 443 G HA2 -0.294 3.814 3.960 0.245 0.000 0.260 443 G HA3 -0.294 3.814 3.960 0.245 0.000 0.260 443 G C -0.027 174.980 174.900 0.179 0.000 0.976 443 G CA 0.220 45.434 45.100 0.190 0.000 0.655 443 G HN 0.548 nan 8.290 nan 0.000 0.533 444 L N -0.296 121.006 121.223 0.132 0.000 2.346 444 L HA 0.667 5.154 4.340 0.245 0.000 0.274 444 L C 0.701 177.563 176.870 -0.012 0.000 1.007 444 L CA -1.070 53.804 54.840 0.057 0.000 0.818 444 L CB 1.816 43.887 42.059 0.020 0.000 1.284 444 L HN 0.050 nan 8.230 nan 0.000 0.424 445 M N 2.937 122.502 119.600 -0.060 0.000 2.143 445 M HA 0.168 4.795 4.480 0.245 0.000 0.348 445 M C -0.488 175.728 176.300 -0.141 0.000 1.375 445 M CA -0.023 55.240 55.300 -0.062 0.000 1.124 445 M CB 0.509 33.086 32.600 -0.038 0.000 1.669 445 M HN 0.364 nan 8.290 nan 0.000 0.469 446 E N 3.576 123.730 120.200 -0.076 0.000 2.133 446 E HA 0.267 4.764 4.350 0.245 0.000 0.274 446 E C -1.030 175.525 176.600 -0.075 0.000 0.930 446 E CA -0.376 55.945 56.400 -0.131 0.000 0.770 446 E CB 1.392 31.071 29.700 -0.035 0.000 1.104 446 E HN 0.602 nan 8.360 nan 0.000 0.403 447 D N 0.787 121.032 120.400 -0.259 0.000 2.689 447 D HA 0.400 5.187 4.640 0.245 0.000 0.255 447 D C 0.826 176.730 176.300 -0.660 0.000 1.113 447 D CA -0.632 53.252 54.000 -0.193 0.000 1.115 447 D CB 0.157 40.968 40.800 0.018 0.000 1.334 447 D HN 0.187 nan 8.370 nan 0.000 0.621 448 A N 0.022 122.665 122.820 -0.295 0.000 1.883 448 A HA 0.020 4.487 4.320 0.245 0.000 0.217 448 A C 2.168 179.536 177.584 -0.359 0.000 1.186 448 A CA 3.105 54.939 52.037 -0.339 0.000 0.624 448 A CB -1.469 17.575 19.000 0.074 0.000 0.822 448 A HN 0.724 nan 8.150 nan 0.000 0.444 449 A N -0.451 122.276 122.820 -0.156 0.000 1.933 449 A HA -0.094 4.373 4.320 0.245 0.000 0.218 449 A C 2.442 179.922 177.584 -0.172 0.000 1.175 449 A CA 2.564 54.551 52.037 -0.083 0.000 0.628 449 A CB -1.363 17.751 19.000 0.191 0.000 0.814 449 A HN 0.786 nan 8.150 nan 0.000 0.444 450 T N -2.272 112.126 114.554 -0.260 0.000 2.857 450 T HA 0.131 4.628 4.350 0.245 0.000 0.266 450 T C 1.960 176.479 174.700 -0.302 0.000 1.048 450 T CA 1.474 63.391 62.100 -0.304 0.000 1.139 450 T CB -0.550 67.997 68.868 -0.535 0.000 0.874 450 T HN 0.528 nan 8.240 nan 0.000 0.455 451 A N 1.898 124.454 122.820 -0.440 0.000 1.930 451 A HA -0.070 4.397 4.320 0.245 0.000 0.217 451 A C 2.448 179.832 177.584 -0.332 0.000 1.175 451 A CA 1.290 53.105 52.037 -0.370 0.000 0.627 451 A CB -0.534 18.144 19.000 -0.536 0.000 0.815 451 A HN 0.474 nan 8.150 nan 0.000 0.443 452 E N 0.091 119.996 120.200 -0.491 0.000 2.085 452 E HA -0.188 4.309 4.350 0.245 0.000 0.194 452 E C 1.974 178.273 176.600 -0.501 0.000 0.994 452 E CA 1.275 57.227 56.400 -0.746 0.000 0.801 452 E CB -0.419 28.268 29.700 -1.688 0.000 0.743 452 E HN 0.749 nan 8.360 nan 0.000 0.453 453 I N 1.072 121.478 120.570 -0.274 0.000 2.163 453 I HA -0.291 4.026 4.170 0.245 0.000 0.243 453 I C 2.487 178.567 176.117 -0.062 0.000 1.085 453 I CA 1.038 62.321 61.300 -0.030 0.000 1.347 453 I CB -0.326 37.735 38.000 0.101 0.000 1.044 453 I HN -0.031 nan 8.210 nan 0.000 0.408 454 S N 0.777 116.419 115.700 -0.097 0.000 2.359 454 S HA -0.231 4.386 4.470 0.245 0.000 0.224 454 S C 1.967 176.502 174.600 -0.108 0.000 1.035 454 S CA 2.023 60.169 58.200 -0.089 0.000 1.018 454 S CB -0.343 62.825 63.200 -0.054 0.000 0.876 454 S HN 0.474 nan 8.310 nan 0.000 0.448 455 R N 1.979 122.414 120.500 -0.110 0.000 2.090 455 R HA -0.014 4.473 4.340 0.245 0.000 0.228 455 R C 2.144 178.399 176.300 -0.076 0.000 1.110 455 R CA 1.964 58.010 56.100 -0.090 0.000 0.973 455 R CB -1.802 28.445 30.300 -0.089 0.000 0.869 455 R HN 0.466 nan 8.270 nan 0.000 0.440 456 T N -2.234 112.281 114.554 -0.066 0.000 2.904 456 T HA -0.086 4.411 4.350 0.245 0.000 0.267 456 T C 2.092 176.822 174.700 0.051 0.000 1.059 456 T CA 1.133 63.245 62.100 0.019 0.000 1.137 456 T CB -0.519 68.410 68.868 0.102 0.000 0.879 456 T HN 0.315 nan 8.240 nan 0.000 0.467 457 S N 1.189 116.846 115.700 -0.071 0.000 2.368 457 S HA -0.049 4.568 4.470 0.245 0.000 0.225 457 S C 2.009 176.305 174.600 -0.507 0.000 1.030 457 S CA 1.146 59.189 58.200 -0.262 0.000 0.999 457 S CB -0.689 62.286 63.200 -0.375 0.000 0.844 457 S HN 0.605 nan 8.310 nan 0.000 0.459 458 I N -0.303 120.036 120.570 -0.385 0.000 2.179 458 I HA -0.161 4.157 4.170 0.245 0.000 0.242 458 I C 2.223 178.281 176.117 -0.098 0.000 1.088 458 I CA 1.626 62.746 61.300 -0.300 0.000 1.357 458 I CB -0.459 37.423 38.000 -0.196 0.000 1.051 458 I HN 0.499 nan 8.210 nan 0.000 0.409 459 W N 1.678 122.854 121.300 -0.205 0.000 2.338 459 W HA -0.296 4.375 4.660 0.018 0.000 0.304 459 W C 2.729 179.242 176.519 -0.010 0.000 1.212 459 W CA 1.993 59.260 57.345 -0.130 0.000 1.264 459 W CB -0.188 29.187 29.460 -0.141 0.000 1.142 459 W HN 0.136 nan 8.180 nan 0.000 0.512 460 Q N -0.825 119.188 119.800 0.356 0.000 2.124 460 Q HA -0.240 4.247 4.340 0.245 0.000 0.202 460 Q C 1.976 178.194 176.000 0.363 0.000 0.977 460 Q CA 2.066 58.097 55.803 0.379 0.000 0.850 460 Q CB -0.755 28.259 28.738 0.461 0.000 0.901 460 Q HN 0.329 nan 8.270 nan 0.000 0.429 461 W N 0.521 121.866 121.300 0.076 0.000 2.388 461 W HA -0.047 4.754 4.660 0.235 0.000 0.294 461 W C 1.942 178.433 176.519 -0.046 0.000 1.212 461 W CA 0.351 57.724 57.345 0.046 0.000 1.271 461 W CB -0.668 28.826 29.460 0.057 0.000 1.126 461 W HN 0.199 nan 8.180 nan 0.000 0.535 462 I N -0.851 119.769 120.570 0.084 0.000 2.202 462 I HA -0.332 3.985 4.170 0.245 0.000 0.242 462 I C 2.500 178.467 176.117 -0.250 0.000 1.091 462 I CA 1.924 63.166 61.300 -0.098 0.000 1.368 462 I CB -0.798 37.075 38.000 -0.211 0.000 1.058 462 I HN -0.052 nan 8.210 nan 0.000 0.410 463 H N 0.585 119.289 119.070 -0.610 0.000 2.352 463 H HA -0.192 4.461 4.556 0.162 0.000 0.299 463 H C 1.830 176.831 175.328 -0.544 0.000 1.097 463 H CA 1.875 57.430 56.048 -0.822 0.000 1.311 463 H CB 0.006 28.915 29.762 -1.420 0.000 1.377 463 H HN 0.316 nan 8.280 nan 0.000 0.504 464 H N -0.119 118.836 119.070 -0.193 0.000 2.529 464 H HA 0.115 4.842 4.556 0.284 0.000 0.277 464 H C 0.168 175.422 175.328 -0.122 0.000 1.004 464 H CA 0.773 56.723 56.048 -0.162 0.000 1.167 464 H CB 0.303 30.053 29.762 -0.019 0.000 1.445 464 H HN 0.240 nan 8.280 nan 0.000 0.554 465 Q N 0.589 120.364 119.800 -0.043 0.000 2.452 465 Q HA -0.146 4.342 4.340 0.245 0.000 0.318 465 Q C 0.133 176.126 176.000 -0.012 0.000 1.386 465 Q CA 0.532 56.314 55.803 -0.034 0.000 0.872 465 Q CB -1.921 26.781 28.738 -0.060 0.000 1.151 465 Q HN 0.413 nan 8.270 nan 0.000 0.417 466 K N 0.970 121.373 120.400 0.005 0.000 2.202 466 K HA 0.422 4.889 4.320 0.245 0.000 0.264 466 K C 1.049 177.591 176.600 -0.096 0.000 1.010 466 K CA 0.284 56.529 56.287 -0.071 0.000 0.940 466 K CB 0.881 33.285 32.500 -0.161 0.000 0.983 466 K HN 0.686 nan 8.250 nan 0.000 0.475 467 T N -0.623 113.854 114.554 -0.129 0.000 2.907 467 T HA 0.475 4.972 4.350 0.245 0.000 0.284 467 T C 0.799 175.391 174.700 -0.179 0.000 1.004 467 T CA -0.900 61.135 62.100 -0.108 0.000 1.063 467 T CB 0.652 69.472 68.868 -0.080 0.000 0.992 467 T HN 0.299 nan 8.240 nan 0.000 0.483 468 L N 2.382 123.530 121.223 -0.125 0.000 2.472 468 L HA 0.203 4.691 4.340 0.245 0.000 0.260 468 L C 2.219 179.028 176.870 -0.103 0.000 1.209 468 L CA -0.559 54.199 54.840 -0.136 0.000 0.817 468 L CB 0.486 42.527 42.059 -0.029 0.000 1.106 468 L HN 1.032 nan 8.230 nan 0.000 0.479 469 S N -0.004 115.643 115.700 -0.090 0.000 2.442 469 S HA -0.163 4.454 4.470 0.245 0.000 0.236 469 S C 1.159 175.739 174.600 -0.032 0.000 1.007 469 S CA 1.108 59.273 58.200 -0.058 0.000 0.965 469 S CB -0.604 62.573 63.200 -0.039 0.000 0.773 469 S HN 0.860 nan 8.310 nan 0.000 0.504 470 N N 1.177 119.865 118.700 -0.020 0.000 2.370 470 N HA 0.257 5.144 4.740 0.245 0.000 0.198 470 N C 1.199 176.702 175.510 -0.012 0.000 1.156 470 N CA 0.564 53.609 53.050 -0.009 0.000 0.839 470 N CB -0.492 37.997 38.487 0.004 0.000 0.989 470 N HN 0.583 nan 8.380 nan 0.000 0.468 471 G N -0.191 108.595 108.800 -0.023 0.000 2.199 471 G HA2 -0.331 3.776 3.960 0.245 0.000 0.254 471 G HA3 -0.331 3.776 3.960 0.245 0.000 0.254 471 G C -0.198 174.692 174.900 -0.017 0.000 0.982 471 G CA 0.167 45.253 45.100 -0.023 0.000 0.632 471 G HN 0.480 nan 8.290 nan 0.000 0.529 472 K N 1.736 122.131 120.400 -0.008 0.000 2.383 472 K HA 0.357 4.824 4.320 0.245 0.000 0.286 472 K C -2.424 174.178 176.600 0.004 0.000 1.051 472 K CA -1.383 54.907 56.287 0.006 0.000 0.974 472 K CB 0.763 33.277 32.500 0.025 0.000 0.968 472 K HN 0.104 nan 8.250 nan 0.000 0.475 473 P HA -0.023 nan 4.420 nan 0.000 0.267 473 P C -0.696 176.625 177.300 0.036 0.000 1.209 473 P CA -0.240 62.864 63.100 0.006 0.000 0.763 473 P CB 0.585 32.285 31.700 0.002 0.000 0.816 474 V N 4.664 124.608 119.914 0.050 0.000 2.427 474 V HA 0.312 4.579 4.120 0.245 0.000 0.268 474 V C 0.875 177.015 176.094 0.076 0.000 1.046 474 V CA 0.338 62.703 62.300 0.109 0.000 0.970 474 V CB 0.177 32.120 31.823 0.200 0.000 1.001 474 V HN 0.714 nan 8.190 nan 0.000 0.476 475 T N 1.365 115.971 114.554 0.086 0.000 2.887 475 T HA 0.462 4.959 4.350 0.245 0.000 0.292 475 T C 0.718 175.480 174.700 0.104 0.000 1.087 475 T CA -0.948 61.187 62.100 0.057 0.000 1.009 475 T CB 1.947 70.841 68.868 0.043 0.000 1.203 475 T HN 0.385 nan 8.240 nan 0.000 0.518 476 K N 0.219 120.666 120.400 0.078 0.000 2.103 476 K HA -0.061 4.406 4.320 0.245 0.000 0.207 476 K C 2.486 179.201 176.600 0.191 0.000 1.048 476 K CA 1.430 57.805 56.287 0.146 0.000 0.930 476 K CB -0.573 31.981 32.500 0.090 0.000 0.716 476 K HN 0.676 nan 8.250 nan 0.000 0.444 477 A N 1.450 124.337 122.820 0.111 0.000 1.877 477 A HA -0.157 4.310 4.320 0.245 0.000 0.216 477 A C 2.122 179.753 177.584 0.078 0.000 1.186 477 A CA 1.138 53.224 52.037 0.081 0.000 0.620 477 A CB -0.540 18.490 19.000 0.050 0.000 0.822 477 A HN 0.226 nan 8.150 nan 0.000 0.443 478 L N -1.300 119.981 121.223 0.096 0.000 2.017 478 L HA -0.122 4.365 4.340 0.245 0.000 0.208 478 L C 2.240 179.176 176.870 0.110 0.000 1.073 478 L CA 2.413 57.309 54.840 0.092 0.000 0.745 478 L CB -0.773 41.351 42.059 0.108 0.000 0.894 478 L HN 0.469 nan 8.230 nan 0.000 0.432 479 F N 0.434 120.415 119.950 0.052 0.000 2.095 479 F HA -0.236 4.453 4.527 0.271 0.000 0.298 479 F C 2.516 178.348 175.800 0.053 0.000 1.104 479 F CA 1.812 59.847 58.000 0.057 0.000 1.232 479 F CB -0.369 38.664 39.000 0.056 0.000 0.987 479 F HN 0.010 nan 8.300 nan 0.000 0.475 480 R N -0.339 120.022 120.500 -0.231 0.000 2.096 480 R HA -0.196 4.291 4.340 0.245 0.000 0.235 480 R C 2.256 178.412 176.300 -0.239 0.000 1.127 480 R CA 1.544 57.458 56.100 -0.310 0.000 0.968 480 R CB -0.570 29.707 30.300 -0.037 0.000 0.861 480 R HN 0.350 nan 8.270 nan 0.000 0.440 481 Q N 0.823 120.546 119.800 -0.129 0.000 2.079 481 Q HA -0.047 4.440 4.340 0.245 0.000 0.200 481 Q C 1.949 177.885 176.000 -0.105 0.000 0.974 481 Q CA 1.648 57.400 55.803 -0.085 0.000 0.840 481 Q CB -0.032 28.686 28.738 -0.034 0.000 0.898 481 Q HN 0.257 nan 8.270 nan 0.000 0.430 482 M N -0.526 119.003 119.600 -0.118 0.000 2.159 482 M HA -0.136 4.491 4.480 0.245 0.000 0.263 482 M C 1.891 178.104 176.300 -0.146 0.000 1.063 482 M CA 0.973 56.219 55.300 -0.091 0.000 1.110 482 M CB -0.324 32.261 32.600 -0.025 0.000 1.374 482 M HN 0.334 nan 8.290 nan 0.000 0.411 483 L N 0.653 121.680 121.223 -0.327 0.000 2.012 483 L HA -0.072 4.415 4.340 0.245 0.000 0.210 483 L C 2.313 179.109 176.870 -0.124 0.000 1.073 483 L CA 2.305 56.966 54.840 -0.298 0.000 0.748 483 L CB -1.303 40.417 42.059 -0.564 0.000 0.891 483 L HN 0.237 nan 8.230 nan 0.000 0.431 484 G N -1.437 107.293 108.800 -0.116 0.000 2.408 484 G HA2 -0.220 3.888 3.960 0.245 0.000 0.217 484 G HA3 -0.220 3.888 3.960 0.245 0.000 0.217 484 G C 1.426 176.302 174.900 -0.040 0.000 1.150 484 G CA 0.729 45.800 45.100 -0.050 0.000 0.776 484 G HN 0.551 nan 8.290 nan 0.000 0.542 485 E N 0.254 120.424 120.200 -0.049 0.000 2.077 485 E HA -0.100 4.397 4.350 0.245 0.000 0.193 485 E C 2.415 178.993 176.600 -0.036 0.000 0.989 485 E CA 0.952 57.328 56.400 -0.040 0.000 0.800 485 E CB 0.015 29.695 29.700 -0.032 0.000 0.746 485 E HN 0.266 nan 8.360 nan 0.000 0.452 486 E N 0.092 120.278 120.200 -0.023 0.000 2.208 486 E HA -0.082 4.415 4.350 0.245 0.000 0.193 486 E C 1.932 178.532 176.600 0.001 0.000 0.988 486 E CA 0.583 56.984 56.400 0.001 0.000 0.828 486 E CB -0.030 29.691 29.700 0.034 0.000 0.763 486 E HN 0.265 nan 8.360 nan 0.000 0.478 487 M N 0.616 120.220 119.600 0.006 0.000 2.159 487 M HA -0.118 4.509 4.480 0.245 0.000 0.263 487 M C 1.870 178.078 176.300 -0.153 0.000 1.063 487 M CA 1.323 56.637 55.300 0.023 0.000 1.110 487 M CB -0.731 31.934 32.600 0.109 0.000 1.374 487 M HN 0.016 nan 8.290 nan 0.000 0.411 488 K N -0.425 119.889 120.400 -0.143 0.000 2.097 488 K HA -0.066 4.401 4.320 0.245 0.000 0.205 488 K C 2.052 178.524 176.600 -0.213 0.000 1.050 488 K CA 1.011 57.172 56.287 -0.210 0.000 0.938 488 K CB -0.183 32.242 32.500 -0.125 0.000 0.718 488 K HN 0.139 nan 8.250 nan 0.000 0.442 489 V N 1.812 121.649 119.914 -0.128 0.000 2.295 489 V HA -0.246 4.021 4.120 0.245 0.000 0.246 489 V C 2.170 178.201 176.094 -0.105 0.000 1.049 489 V CA 1.631 63.878 62.300 -0.089 0.000 1.024 489 V CB -0.388 31.415 31.823 -0.033 0.000 0.648 489 V HN 0.256 nan 8.190 nan 0.000 0.447 490 I N 0.542 121.045 120.570 -0.113 0.000 2.163 490 I HA -0.270 4.047 4.170 0.245 0.000 0.243 490 I C 2.681 178.602 176.117 -0.327 0.000 1.085 490 I CA 1.613 62.838 61.300 -0.124 0.000 1.347 490 I CB -0.623 37.330 38.000 -0.079 0.000 1.044 490 I HN 0.289 nan 8.210 nan 0.000 0.408 491 A N 0.706 123.085 122.820 -0.735 0.000 1.908 491 A HA -0.246 4.221 4.320 0.245 0.000 0.218 491 A C 2.504 179.817 177.584 -0.451 0.000 1.181 491 A CA 2.376 53.747 52.037 -1.110 0.000 0.627 491 A CB -0.907 17.155 19.000 -1.563 0.000 0.818 491 A HN 0.541 nan 8.150 nan 0.000 0.445 492 S N -0.328 115.189 115.700 -0.305 0.000 2.406 492 S HA -0.136 4.481 4.470 0.245 0.000 0.228 492 S C 1.637 176.185 174.600 -0.087 0.000 1.020 492 S CA 1.296 59.400 58.200 -0.160 0.000 0.965 492 S CB -0.393 62.733 63.200 -0.124 0.000 0.798 492 S HN 0.670 nan 8.310 nan 0.000 0.488 493 E N 1.039 121.198 120.200 -0.068 0.000 2.107 493 E HA 0.082 4.579 4.350 0.245 0.000 0.191 493 E C 1.879 178.489 176.600 0.017 0.000 0.982 493 E CA 1.097 57.501 56.400 0.007 0.000 0.809 493 E CB -0.200 29.545 29.700 0.075 0.000 0.756 493 E HN 0.522 nan 8.360 nan 0.000 0.459 494 L N -0.368 120.853 121.223 -0.003 0.000 2.477 494 L HA 0.185 4.672 4.340 0.245 0.000 0.220 494 L C 0.955 177.854 176.870 0.049 0.000 1.106 494 L CA 0.192 55.060 54.840 0.047 0.000 0.851 494 L CB -0.157 41.958 42.059 0.092 0.000 0.994 494 L HN 0.152 nan 8.230 nan 0.000 0.462 495 G N 0.483 109.287 108.800 0.006 0.000 2.733 495 G HA2 -0.225 3.882 3.960 0.245 0.000 0.686 495 G HA3 -0.225 3.882 3.960 0.245 0.000 0.686 495 G C 0.399 175.331 174.900 0.054 0.000 1.373 495 G CA -0.151 44.959 45.100 0.017 0.000 0.838 495 G HN 0.117 nan 8.290 nan 0.000 0.588 496 E N 0.168 120.395 120.200 0.045 0.000 2.153 496 E HA -0.151 4.346 4.350 0.245 0.000 0.194 496 E C 2.164 178.843 176.600 0.131 0.000 0.988 496 E CA 2.031 58.482 56.400 0.085 0.000 0.811 496 E CB 0.087 29.818 29.700 0.052 0.000 0.746 496 E HN 0.592 nan 8.360 nan 0.000 0.466 497 E N 0.885 121.145 120.200 0.100 0.000 2.028 497 E HA -0.179 4.318 4.350 0.245 0.000 0.191 497 E C 2.128 178.800 176.600 0.121 0.000 0.988 497 E CA 1.641 58.098 56.400 0.094 0.000 0.799 497 E CB -0.332 29.409 29.700 0.067 0.000 0.755 497 E HN 0.005 nan 8.360 nan 0.000 0.447 498 R N -0.469 120.112 120.500 0.136 0.000 2.096 498 R HA -0.086 4.401 4.340 0.245 0.000 0.235 498 R C 2.217 178.669 176.300 0.254 0.000 1.127 498 R CA 1.667 57.868 56.100 0.168 0.000 0.968 498 R CB -1.157 29.240 30.300 0.162 0.000 0.861 498 R HN 0.350 nan 8.270 nan 0.000 0.440 499 F N 0.785 120.791 119.950 0.094 0.000 2.128 499 F HA -0.095 4.579 4.527 0.243 0.000 0.295 499 F C 2.319 178.226 175.800 0.178 0.000 1.100 499 F CA 1.883 59.935 58.000 0.087 0.000 1.260 499 F CB -0.464 38.475 39.000 -0.103 0.000 1.009 499 F HN 0.213 nan 8.300 nan 0.000 0.476 500 S N -0.854 114.976 115.700 0.217 0.000 2.402 500 S HA -0.167 4.450 4.470 0.245 0.000 0.229 500 S C 1.781 176.412 174.600 0.052 0.000 1.021 500 S CA 0.750 59.021 58.200 0.118 0.000 0.974 500 S CB -0.527 62.753 63.200 0.133 0.000 0.800 500 S HN 0.425 nan 8.310 nan 0.000 0.484 501 Q N 1.446 121.286 119.800 0.066 0.000 2.435 501 Q HA 0.254 4.741 4.340 0.245 0.000 0.207 501 Q C 1.290 177.291 176.000 0.001 0.000 0.956 501 Q CA 0.684 56.508 55.803 0.034 0.000 0.917 501 Q CB -0.404 28.360 28.738 0.045 0.000 0.997 501 Q HN 0.677 nan 8.270 nan 0.000 0.497 502 G N 0.194 108.996 108.800 0.003 0.000 2.504 502 G HA2 0.219 4.326 3.960 0.245 0.000 0.257 502 G HA3 0.219 4.326 3.960 0.245 0.000 0.257 502 G C 0.108 174.893 174.900 -0.192 0.000 1.451 502 G CA -0.510 44.526 45.100 -0.107 0.000 1.059 502 G HN 0.149 nan 8.290 nan 0.000 0.550 503 R N -0.572 119.697 120.500 -0.385 0.000 2.816 503 R HA 0.238 4.725 4.340 0.245 0.000 0.382 503 R C 0.552 176.640 176.300 -0.354 0.000 1.140 503 R CA -0.274 55.651 56.100 -0.291 0.000 1.050 503 R CB 0.133 30.298 30.300 -0.226 0.000 1.396 503 R HN 0.375 nan 8.270 nan 0.000 0.583 504 F N 0.827 120.626 119.950 -0.252 0.000 2.325 504 F HA -0.097 4.575 4.527 0.243 0.000 0.299 504 F C 1.822 177.550 175.800 -0.120 0.000 1.090 504 F CA 1.060 58.915 58.000 -0.241 0.000 1.392 504 F CB 0.152 38.806 39.000 -0.578 0.000 1.053 504 F HN 0.050 nan 8.300 nan 0.000 0.521 505 D N 0.361 120.777 120.400 0.026 0.000 2.084 505 D HA -0.163 4.624 4.640 0.245 0.000 0.194 505 D C 1.833 178.156 176.300 0.037 0.000 0.990 505 D CA 1.519 55.546 54.000 0.045 0.000 0.826 505 D CB -0.469 40.345 40.800 0.024 0.000 0.971 505 D HN 0.183 nan 8.370 nan 0.000 0.453 506 D N 0.481 120.881 120.400 -0.000 0.000 2.117 506 D HA -0.092 4.695 4.640 0.245 0.000 0.197 506 D C 2.003 178.314 176.300 0.018 0.000 0.987 506 D CA 1.279 55.282 54.000 0.004 0.000 0.829 506 D CB -0.334 40.456 40.800 -0.018 0.000 0.961 506 D HN 0.144 nan 8.370 nan 0.000 0.460 507 A N 1.115 123.933 122.820 -0.003 0.000 1.877 507 A HA -0.036 4.431 4.320 0.245 0.000 0.216 507 A C 2.327 179.967 177.584 0.092 0.000 1.186 507 A CA 2.265 54.317 52.037 0.024 0.000 0.620 507 A CB -0.776 18.209 19.000 -0.024 0.000 0.822 507 A HN 0.235 nan 8.150 nan 0.000 0.443 508 A N -0.463 122.432 122.820 0.124 0.000 1.972 508 A HA -0.153 4.314 4.320 0.245 0.000 0.219 508 A C 2.233 179.893 177.584 0.127 0.000 1.169 508 A CA 1.747 53.871 52.037 0.146 0.000 0.635 508 A CB -0.466 18.625 19.000 0.151 0.000 0.810 508 A HN 0.572 nan 8.150 nan 0.000 0.446 509 R N -0.931 119.628 120.500 0.097 0.000 2.066 509 R HA -0.098 4.389 4.340 0.245 0.000 0.232 509 R C 2.034 178.389 176.300 0.092 0.000 1.131 509 R CA 1.599 57.751 56.100 0.088 0.000 0.955 509 R CB -0.372 29.966 30.300 0.064 0.000 0.851 509 R HN 0.421 nan 8.270 nan 0.000 0.432 510 L N 0.650 121.920 121.223 0.078 0.000 2.056 510 L HA -0.103 4.384 4.340 0.245 0.000 0.207 510 L C 2.269 179.190 176.870 0.085 0.000 1.078 510 L CA 1.755 56.635 54.840 0.067 0.000 0.749 510 L CB -0.583 41.503 42.059 0.046 0.000 0.901 510 L HN 0.266 nan 8.230 nan 0.000 0.433 511 M N -0.396 119.275 119.600 0.118 0.000 2.080 511 M HA -0.212 4.415 4.480 0.245 0.000 0.260 511 M C 2.190 178.628 176.300 0.230 0.000 1.068 511 M CA 1.860 57.258 55.300 0.164 0.000 1.109 511 M CB -0.734 32.000 32.600 0.224 0.000 1.342 511 M HN 0.412 nan 8.290 nan 0.000 0.405 512 E N -0.241 120.128 120.200 0.281 0.000 2.077 512 E HA -0.234 4.263 4.350 0.245 0.000 0.193 512 E C 1.947 178.670 176.600 0.206 0.000 0.989 512 E CA 1.683 58.300 56.400 0.362 0.000 0.800 512 E CB -0.245 29.616 29.700 0.269 0.000 0.746 512 E HN 0.738 nan 8.360 nan 0.000 0.452 513 Q N 0.386 120.267 119.800 0.134 0.000 2.030 513 Q HA -0.175 4.312 4.340 0.245 0.000 0.204 513 Q C 2.529 178.570 176.000 0.068 0.000 0.986 513 Q CA 2.315 58.172 55.803 0.090 0.000 0.843 513 Q CB -0.443 28.336 28.738 0.067 0.000 0.904 513 Q HN 0.528 nan 8.270 nan 0.000 0.420 514 I N -2.452 118.146 120.570 0.048 0.000 2.546 514 I HA -0.103 4.214 4.170 0.245 0.000 0.255 514 I C 1.669 177.804 176.117 0.030 0.000 1.163 514 I CA 1.232 62.540 61.300 0.013 0.000 1.457 514 I CB -0.365 37.620 38.000 -0.025 0.000 1.092 514 I HN -0.024 nan 8.210 nan 0.000 0.434 515 T N 0.977 115.520 114.554 -0.019 0.000 2.896 515 T HA -0.078 4.419 4.350 0.245 0.000 0.263 515 T C 1.850 176.512 174.700 -0.064 0.000 1.050 515 T CA 1.976 63.987 62.100 -0.148 0.000 1.140 515 T CB -0.375 68.052 68.868 -0.736 0.000 0.877 515 T HN 0.667 nan 8.240 nan 0.000 0.457 516 T N -0.552 114.004 114.554 0.004 0.000 3.107 516 T HA 0.215 4.712 4.350 0.245 0.000 0.249 516 T C 1.015 175.772 174.700 0.095 0.000 1.096 516 T CA -0.192 61.938 62.100 0.049 0.000 1.012 516 T CB -0.076 68.861 68.868 0.114 0.000 0.977 516 T HN 0.172 nan 8.240 nan 0.000 0.527 517 S N 0.978 116.763 115.700 0.142 0.000 2.560 517 S HA 0.073 4.690 4.470 0.245 0.000 0.284 517 S C 0.840 175.599 174.600 0.265 0.000 1.327 517 S CA -0.474 57.821 58.200 0.158 0.000 1.055 517 S CB 0.300 63.570 63.200 0.117 0.000 0.868 517 S HN 0.280 nan 8.310 nan 0.000 0.506 518 D N 1.825 122.338 120.400 0.189 0.000 2.224 518 D HA 0.037 4.824 4.640 0.245 0.000 0.205 518 D C 0.366 176.870 176.300 0.340 0.000 0.965 518 D CA 1.011 55.138 54.000 0.213 0.000 0.852 518 D CB 0.096 40.967 40.800 0.118 0.000 0.947 518 D HN 0.595 nan 8.370 nan 0.000 0.494 519 E N 0.517 120.847 120.200 0.217 0.000 2.242 519 E HA 0.229 4.726 4.350 0.245 0.000 0.275 519 E C -0.296 176.217 176.600 -0.145 0.000 1.002 519 E CA -0.887 55.559 56.400 0.078 0.000 0.841 519 E CB 2.165 31.853 29.700 -0.020 0.000 1.109 519 E HN -0.028 nan 8.360 nan 0.000 0.394 520 L N 3.163 124.021 121.223 -0.607 0.000 2.283 520 L HA 0.174 4.661 4.340 0.245 0.000 0.287 520 L C -0.149 176.370 176.870 -0.585 0.000 1.073 520 L CA -0.256 53.904 54.840 -1.134 0.000 0.822 520 L CB 0.592 41.656 42.059 -1.659 0.000 1.186 520 L HN 0.375 nan 8.230 nan 0.000 0.436 521 I N 4.654 124.968 120.570 -0.428 0.000 2.692 521 I HA 0.057 4.374 4.170 0.245 0.000 0.284 521 I C 1.189 177.127 176.117 -0.297 0.000 1.159 521 I CA -0.096 61.048 61.300 -0.259 0.000 1.423 521 I CB 0.692 38.604 38.000 -0.146 0.000 1.380 521 I HN 0.827 nan 8.210 nan 0.000 0.580 522 D N 4.707 124.942 120.400 -0.274 0.000 2.117 522 D HA -0.012 4.775 4.640 0.245 0.000 0.198 522 D C -0.199 175.651 176.300 -0.750 0.000 0.982 522 D CA 2.000 55.677 54.000 -0.539 0.000 0.828 522 D CB -0.017 40.523 40.800 -0.434 0.000 0.967 522 D HN 0.533 nan 8.370 nan 0.000 0.464 523 F N -0.653 119.293 119.950 -0.006 0.000 2.588 523 F HA 0.151 4.831 4.527 0.255 0.000 0.314 523 F C 0.700 176.469 175.800 -0.052 0.000 1.134 523 F CA -1.086 56.934 58.000 0.034 0.000 0.961 523 F CB 1.402 40.421 39.000 0.032 0.000 1.239 523 F HN -0.348 nan 8.300 nan 0.000 0.448 524 L N -0.268 120.975 121.223 0.034 0.000 2.275 524 L HA 0.010 4.497 4.340 0.245 0.000 0.215 524 L C 1.848 178.601 176.870 -0.196 0.000 1.119 524 L CA 2.082 56.864 54.840 -0.097 0.000 0.790 524 L CB -1.833 40.132 42.059 -0.157 0.000 0.919 524 L HN 0.730 nan 8.230 nan 0.000 0.443 525 T N -2.688 111.749 114.554 -0.194 0.000 2.962 525 T HA -0.016 4.481 4.350 0.245 0.000 0.270 525 T C 1.789 176.444 174.700 -0.074 0.000 1.088 525 T CA 1.279 63.153 62.100 -0.377 0.000 1.127 525 T CB -0.657 68.130 68.868 -0.135 0.000 0.883 525 T HN 0.436 nan 8.240 nan 0.000 0.493 526 L N 1.395 122.657 121.223 0.066 0.000 2.007 526 L HA 0.059 4.546 4.340 0.245 0.000 0.205 526 L C 0.135 177.079 176.870 0.123 0.000 1.073 526 L CA 1.123 56.039 54.840 0.127 0.000 0.744 526 L CB -1.484 40.674 42.059 0.164 0.000 0.898 526 L HN 0.202 nan 8.230 nan 0.000 0.435 527 P HA -0.122 nan 4.420 nan 0.000 0.218 527 P C 1.582 178.930 177.300 0.080 0.000 1.149 527 P CA 1.818 64.956 63.100 0.063 0.000 0.817 527 P CB -0.167 31.549 31.700 0.028 0.000 0.785 528 G N -0.612 108.194 108.800 0.010 0.000 2.442 528 G HA2 -0.312 3.796 3.960 0.245 0.000 0.219 528 G HA3 -0.312 3.796 3.960 0.245 0.000 0.219 528 G C 1.574 176.718 174.900 0.406 0.000 1.141 528 G CA 0.420 45.548 45.100 0.048 0.000 0.763 528 G HN 0.179 nan 8.290 nan 0.000 0.554 529 Y N 1.702 122.170 120.300 0.281 0.000 2.333 529 Y HA -0.025 4.671 4.550 0.243 0.000 0.290 529 Y C 2.814 178.827 175.900 0.190 0.000 1.144 529 Y CA 0.903 59.224 58.100 0.369 0.000 1.228 529 Y CB -0.112 38.513 38.460 0.275 0.000 0.985 529 Y HN 0.135 nan 8.280 nan 0.000 0.542 530 R N -0.785 119.810 120.500 0.159 0.000 2.241 530 R HA -0.121 4.366 4.340 0.245 0.000 0.224 530 R C 1.236 177.541 176.300 0.010 0.000 1.101 530 R CA 1.143 57.258 56.100 0.025 0.000 0.995 530 R CB -0.259 30.070 30.300 0.047 0.000 0.870 530 R HN 0.285 nan 8.270 nan 0.000 0.463 531 L N 0.205 121.474 121.223 0.076 0.000 2.592 531 L HA 0.144 4.631 4.340 0.245 0.000 0.227 531 L C 0.495 177.385 176.870 0.033 0.000 1.127 531 L CA 0.497 55.373 54.840 0.059 0.000 0.884 531 L CB 0.040 42.155 42.059 0.093 0.000 1.065 531 L HN 0.005 nan 8.230 nan 0.000 0.457 532 L N -0.295 120.931 121.223 0.005 0.000 2.334 532 L HA 0.528 5.015 4.340 0.245 0.000 0.277 532 L C 1.013 177.842 176.870 -0.068 0.000 1.075 532 L CA -0.705 54.110 54.840 -0.042 0.000 0.804 532 L CB 0.921 42.952 42.059 -0.048 0.000 1.174 532 L HN 0.074 nan 8.230 nan 0.000 0.438 533 A N 0.000 122.814 122.820 -0.010 0.000 2.254 533 A HA 0.000 4.467 4.320 0.245 0.000 0.244 533 A CA 0.000 52.050 52.037 0.022 0.000 0.836 533 A CB 0.000 19.012 19.000 0.020 0.000 0.831 533 A HN 0.000 nan 8.150 nan 0.000 0.486