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 1cvu_1_A DATA FIRST_RESID 33 DATA SEQUENCE ANPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNIPFLRSLI MKYVLTSRSY LIDSPPTYNV DATA SEQUENCE HYGYKSWEAF SNLSYYTRAL PPVADDcPTP MGVKGNKELP DSKEVLEKVL DATA SEQUENCE LRREFIPDPQ GSNMMFAFFA QHFTAQFFKT DHKRGPGFTR GLGHGVDLNH DATA SEQUENCE IYGETLDRQH KLRLFKDGKL KYQVIGGEVY PPTVKDTQVE MIYPPHIPEN DATA SEQUENCE LQFAVGQEVF GLVPGLMMYA TIWLREHQRV CDILKQEHPE WGDEQLFQTS DATA SEQUENCE KLILIGETIK IVIEDYVQHL SGYHFKLKFD PELLFNQQFQ YQNRIASEFN DATA SEQUENCE TLYHWHPLLP DTFNIEDQEY SFKQFLYNNS ILLEHGLTQF VESFTRQIAG DATA SEQUENCE RVAGGRNVPI AVQAVAKASI DQSREMKYQS LNEYRKRFSL KPYTSFEELT DATA SEQUENCE GEKEMAAELK ALYSDIDVME LYPALLVEKP RPDAIFGETM VELGAPFSLK DATA SEQUENCE GLMGNPICSP QYWKPSTFGG EVGFKIINTA SIQSLIcNNV KGcPFTSFNV DATA SEQUENCE Q 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 33 A HA 0.000 nan 4.320 nan 0.000 0.244 33 A C 0.000 177.626 177.584 0.071 0.000 1.274 33 A CA 0.000 52.074 52.037 0.062 0.000 0.836 33 A CB 0.000 19.045 19.000 0.075 0.000 0.831 34 N N 2.414 121.148 118.700 0.056 0.000 2.414 34 N HA 0.132 4.873 4.740 0.002 0.000 0.268 34 N C -1.262 174.270 175.510 0.037 0.000 1.286 34 N CA -0.533 52.545 53.050 0.047 0.000 0.896 34 N CB 0.973 39.478 38.487 0.030 0.000 1.093 34 N HN 0.167 nan 8.380 nan 0.000 0.480 35 P HA -0.127 nan 4.420 nan 0.000 0.224 35 P C 0.175 177.457 177.300 -0.029 0.000 1.142 35 P CA 0.908 64.056 63.100 0.080 0.000 0.778 35 P CB 0.036 31.838 31.700 0.172 0.000 0.764 36 c N -1.926 116.636 118.600 -0.062 0.000 2.906 36 c HA 0.160 4.731 4.570 0.002 0.000 0.274 36 c C 2.632 176.639 174.090 -0.137 0.000 1.257 36 c CA -0.293 55.938 56.329 -0.164 0.000 1.695 36 c CB -2.078 40.369 42.510 -0.106 0.000 1.958 36 c HN 0.335 nan 8.230 nan 0.000 0.619 37 c N 1.677 120.229 118.600 -0.080 0.000 2.410 37 c HA -0.103 4.468 4.570 0.002 0.000 0.281 37 c C 2.772 176.817 174.090 -0.075 0.000 1.318 37 c CA 2.058 58.353 56.329 -0.057 0.000 1.776 37 c CB -1.300 41.198 42.510 -0.019 0.000 1.942 37 c HN 0.822 nan 8.230 nan 0.000 0.508 38 S N -0.003 115.633 115.700 -0.107 0.000 2.593 38 S HA 0.041 4.512 4.470 0.002 0.000 0.217 38 S C 0.308 174.826 174.600 -0.136 0.000 0.966 38 S CA 0.314 58.452 58.200 -0.102 0.000 0.914 38 S CB -1.039 62.106 63.200 -0.092 0.000 0.776 38 S HN 0.776 nan 8.310 nan 0.000 0.523 39 N N 1.674 120.271 118.700 -0.171 0.000 2.714 39 N HA -0.110 4.631 4.740 0.002 0.000 0.253 39 N C -1.967 173.425 175.510 -0.197 0.000 1.024 39 N CA 0.508 53.450 53.050 -0.181 0.000 0.726 39 N CB -1.289 37.109 38.487 -0.149 0.000 0.908 39 N HN 0.451 nan 8.380 nan 0.000 0.542 40 P HA -0.112 nan 4.420 nan 0.000 0.216 40 P C 0.034 177.239 177.300 -0.159 0.000 1.153 40 P CA 0.932 63.871 63.100 -0.268 0.000 0.848 40 P CB 0.108 31.449 31.700 -0.598 0.000 0.787 41 c N 2.705 121.211 118.600 -0.157 0.000 2.627 41 c HA 0.272 4.843 4.570 0.002 0.000 0.404 41 c C 0.919 174.944 174.090 -0.109 0.000 1.340 41 c CA -0.605 55.678 56.329 -0.076 0.000 1.758 41 c CB -0.918 41.570 42.510 -0.038 0.000 2.501 41 c HN 0.278 nan 8.230 nan 0.000 0.588 42 Q N 1.717 121.442 119.800 -0.125 0.000 2.166 42 Q HA 0.305 4.646 4.340 0.002 0.000 0.226 42 Q C 0.534 176.395 176.000 -0.233 0.000 0.989 42 Q CA -0.470 55.219 55.803 -0.191 0.000 0.966 42 Q CB 0.304 28.898 28.738 -0.239 0.000 1.173 42 Q HN 0.732 nan 8.270 nan 0.000 0.509 43 N N 1.147 119.665 118.700 -0.303 0.000 2.710 43 N HA -0.246 4.495 4.740 0.002 0.000 0.249 43 N C -0.530 174.914 175.510 -0.110 0.000 1.059 43 N CA 1.009 53.879 53.050 -0.300 0.000 0.720 43 N CB -0.397 37.655 38.487 -0.724 0.000 0.983 43 N HN 0.618 nan 8.380 nan 0.000 0.544 44 R N -4.334 116.108 120.500 -0.097 0.000 3.840 44 R HA -0.137 4.204 4.340 0.002 0.000 0.464 44 R C 0.908 177.201 176.300 -0.012 0.000 0.986 44 R CA 1.238 57.308 56.100 -0.049 0.000 1.305 44 R CB -2.188 28.100 30.300 -0.019 0.000 1.950 44 R HN 0.448 nan 8.270 nan 0.000 0.526 45 G N 1.403 110.193 108.800 -0.017 0.000 2.491 45 G HA2 0.255 4.216 3.960 0.002 0.000 0.238 45 G HA3 0.255 4.216 3.960 0.002 0.000 0.238 45 G C 0.049 174.958 174.900 0.015 0.000 1.277 45 G CA -0.292 44.820 45.100 0.020 0.000 0.851 45 G HN 0.195 nan 8.290 nan 0.000 0.573 46 E N -0.001 120.226 120.200 0.044 0.000 2.216 46 E HA 0.271 4.622 4.350 0.002 0.000 0.279 46 E C -0.679 175.952 176.600 0.051 0.000 0.997 46 E CA -0.634 55.796 56.400 0.049 0.000 0.817 46 E CB 1.947 31.701 29.700 0.089 0.000 1.096 46 E HN 0.351 nan 8.360 nan 0.000 0.393 47 c N 4.690 123.302 118.600 0.019 0.000 2.369 47 c HA 0.548 5.119 4.570 0.002 0.000 0.358 47 c C -0.172 173.952 174.090 0.056 0.000 1.274 47 c CA -0.329 56.017 56.329 0.028 0.000 1.935 47 c CB -0.604 41.853 42.510 -0.088 0.000 2.431 47 c HN 0.795 nan 8.230 nan 0.000 0.545 48 M N 5.755 125.415 119.600 0.100 0.000 2.393 48 M HA 0.437 4.918 4.480 0.002 0.000 0.299 48 M C -0.069 176.286 176.300 0.091 0.000 1.103 48 M CA -0.079 55.266 55.300 0.074 0.000 0.910 48 M CB 2.133 34.768 32.600 0.058 0.000 1.659 48 M HN 0.774 nan 8.290 nan 0.000 0.445 49 S N 2.012 117.740 115.700 0.047 0.000 2.565 49 S HA 0.352 4.823 4.470 0.002 0.000 0.276 49 S C 0.640 175.239 174.600 -0.002 0.000 1.326 49 S CA -0.005 58.220 58.200 0.041 0.000 1.045 49 S CB 0.685 63.882 63.200 -0.006 0.000 0.918 49 S HN 0.789 nan 8.310 nan 0.000 0.505 50 T N -1.535 113.016 114.554 -0.005 0.000 3.040 50 T HA 0.594 4.945 4.350 0.002 0.000 0.266 50 T C 0.617 175.277 174.700 -0.066 0.000 1.005 50 T CA 0.037 62.115 62.100 -0.037 0.000 0.906 50 T CB 0.013 68.863 68.868 -0.030 0.000 1.082 50 T HN 1.249 nan 8.240 nan 0.000 0.531 51 G N -0.106 108.641 108.800 -0.088 0.000 2.349 51 G HA2 0.426 4.387 3.960 0.002 0.000 0.294 51 G HA3 0.426 4.387 3.960 0.002 0.000 0.294 51 G C -0.460 174.361 174.900 -0.133 0.000 1.380 51 G CA -0.845 44.176 45.100 -0.132 0.000 0.811 51 G HN -0.032 nan 8.290 nan 0.000 0.519 52 F N 0.163 120.125 119.950 0.021 0.000 2.126 52 F HA 0.041 4.569 4.527 0.002 0.000 0.299 52 F C 1.630 177.451 175.800 0.035 0.000 1.096 52 F CA 1.735 59.749 58.000 0.024 0.000 1.255 52 F CB 0.330 39.341 39.000 0.019 0.000 0.997 52 F HN 0.219 nan 8.300 nan 0.000 0.479 53 D N -0.050 120.477 120.400 0.212 0.000 2.891 53 D HA 0.192 4.833 4.640 0.002 0.000 0.312 53 D C -0.462 175.907 176.300 0.115 0.000 1.354 53 D CA 0.163 54.251 54.000 0.148 0.000 0.838 53 D CB 0.385 41.261 40.800 0.126 0.000 1.117 53 D HN 0.337 nan 8.370 nan 0.000 0.473 54 Q N 0.130 119.991 119.800 0.101 0.000 2.418 54 Q HA 0.527 4.868 4.340 0.002 0.000 0.282 54 Q C -1.130 174.939 176.000 0.115 0.000 1.044 54 Q CA -1.089 54.751 55.803 0.062 0.000 0.813 54 Q CB 2.462 31.196 28.738 -0.007 0.000 1.428 54 Q HN 0.230 nan 8.270 nan 0.000 0.402 55 Y N -1.291 119.009 120.300 0.002 0.000 2.677 55 Y HA 0.885 5.436 4.550 0.001 0.000 0.334 55 Y C -1.495 174.405 175.900 -0.001 0.000 1.154 55 Y CA -1.266 56.832 58.100 -0.004 0.000 1.070 55 Y CB 1.777 40.235 38.460 -0.003 0.000 1.294 55 Y HN 0.626 nan 8.280 nan 0.000 0.475 56 K N 0.610 121.132 120.400 0.204 0.000 2.523 56 K HA 0.716 5.037 4.320 0.002 0.000 0.257 56 K C -2.283 174.453 176.600 0.227 0.000 0.932 56 K CA -0.286 56.050 56.287 0.083 0.000 0.812 56 K CB 1.926 34.440 32.500 0.024 0.000 1.326 56 K HN 0.960 nan 8.250 nan 0.000 0.433 57 c N 2.358 121.070 118.600 0.186 0.000 2.355 57 c HA 0.452 5.023 4.570 0.002 0.000 0.332 57 c C -0.848 173.304 174.090 0.103 0.000 1.255 57 c CA -0.619 55.806 56.329 0.159 0.000 1.792 57 c CB 0.783 43.391 42.510 0.164 0.000 2.300 57 c HN 0.808 nan 8.230 nan 0.000 0.515 58 D N 1.676 122.129 120.400 0.087 0.000 2.428 58 D HA 0.235 4.876 4.640 0.002 0.000 0.221 58 D C 0.342 176.690 176.300 0.079 0.000 1.123 58 D CA -0.323 53.722 54.000 0.075 0.000 0.869 58 D CB 0.600 41.440 40.800 0.067 0.000 1.032 58 D HN 0.644 nan 8.370 nan 0.000 0.506 59 c N 2.804 121.460 118.600 0.093 0.000 2.578 59 c HA 0.135 4.706 4.570 0.002 0.000 0.285 59 c C 0.934 175.090 174.090 0.110 0.000 1.297 59 c CA -0.373 56.024 56.329 0.114 0.000 1.690 59 c CB -1.768 40.837 42.510 0.159 0.000 1.773 59 c HN 0.516 nan 8.230 nan 0.000 0.594 60 T N 1.535 116.138 114.554 0.081 0.000 2.849 60 T HA 0.008 4.359 4.350 0.002 0.000 0.289 60 T C 1.050 175.790 174.700 0.068 0.000 1.010 60 T CA 0.678 62.817 62.100 0.066 0.000 1.161 60 T CB -0.003 68.893 68.868 0.047 0.000 0.989 60 T HN 0.628 nan 8.240 nan 0.000 0.523 61 R N 0.081 120.618 120.500 0.062 0.000 4.000 61 R HA -0.236 4.105 4.340 0.002 0.000 0.348 61 R C 1.781 178.129 176.300 0.080 0.000 1.204 61 R CA 1.358 57.492 56.100 0.056 0.000 0.987 61 R CB -2.178 28.146 30.300 0.040 0.000 1.446 61 R HN 0.929 nan 8.270 nan 0.000 0.555 62 T N -4.383 110.244 114.554 0.121 0.000 3.055 62 T HA 0.177 4.528 4.350 0.002 0.000 0.265 62 T C 1.542 176.395 174.700 0.253 0.000 1.111 62 T CA 0.964 63.179 62.100 0.192 0.000 1.118 62 T CB 0.574 69.574 68.868 0.219 0.000 0.909 62 T HN 0.686 nan 8.240 nan 0.000 0.501 63 G N 0.512 109.380 108.800 0.114 0.000 2.179 63 G HA2 -0.167 3.794 3.960 0.002 0.000 0.260 63 G HA3 -0.167 3.794 3.960 0.002 0.000 0.260 63 G C -0.089 174.625 174.900 -0.309 0.000 0.977 63 G CA 0.189 45.234 45.100 -0.092 0.000 0.641 63 G HN 0.574 nan 8.290 nan 0.000 0.533 64 F N -0.896 119.083 119.950 0.048 0.000 2.664 64 F HA 0.838 5.366 4.527 0.002 0.000 0.329 64 F C 0.208 176.072 175.800 0.105 0.000 1.090 64 F CA -0.897 57.098 58.000 -0.009 0.000 0.978 64 F CB 1.407 40.363 39.000 -0.072 0.000 1.378 64 F HN 0.286 nan 8.300 nan 0.000 0.495 65 Y N -1.483 118.958 120.300 0.236 0.000 2.744 65 Y HA 0.876 5.427 4.550 0.002 0.000 0.330 65 Y C -0.297 175.673 175.900 0.117 0.000 1.263 65 Y CA -1.769 56.412 58.100 0.134 0.000 1.065 65 Y CB 1.206 39.714 38.460 0.081 0.000 1.306 65 Y HN 1.111 nan 8.280 nan 0.000 0.459 66 G N 0.270 109.258 108.800 0.314 0.000 2.570 66 G HA2 -0.126 3.835 3.960 0.002 0.000 0.686 66 G HA3 -0.126 3.835 3.960 0.002 0.000 0.686 66 G C 0.149 175.120 174.900 0.118 0.000 1.257 66 G CA -0.169 45.038 45.100 0.178 0.000 0.846 66 G HN 1.191 nan 8.290 nan 0.000 0.627 67 E N -0.225 120.026 120.200 0.085 0.000 2.169 67 E HA -0.229 4.122 4.350 0.002 0.000 0.202 67 E C 1.336 178.006 176.600 0.117 0.000 1.016 67 E CA 1.806 58.246 56.400 0.066 0.000 0.817 67 E CB -0.073 29.647 29.700 0.032 0.000 0.736 67 E HN 0.415 nan 8.360 nan 0.000 0.462 68 N N -0.834 117.922 118.700 0.092 0.000 2.282 68 N HA 0.090 4.831 4.740 0.002 0.000 0.240 68 N C -0.638 174.876 175.510 0.006 0.000 1.182 68 N CA 0.418 53.514 53.050 0.076 0.000 0.874 68 N CB 0.484 39.002 38.487 0.051 0.000 1.126 68 N HN 0.136 nan 8.380 nan 0.000 0.516 69 c N 0.836 119.457 118.600 0.035 0.000 4.167 69 c HA -0.119 4.452 4.570 0.002 0.000 0.302 69 c C 1.807 175.840 174.090 -0.096 0.000 1.384 69 c CA 1.079 57.428 56.329 0.033 0.000 2.041 69 c CB -3.092 39.435 42.510 0.028 0.000 1.303 69 c HN 0.575 nan 8.230 nan 0.000 0.718 70 T N -4.577 109.930 114.554 -0.079 0.000 2.990 70 T HA 0.114 4.465 4.350 0.002 0.000 0.249 70 T C 0.448 175.161 174.700 0.022 0.000 1.039 70 T CA 0.680 62.702 62.100 -0.130 0.000 1.036 70 T CB 0.105 68.913 68.868 -0.099 0.000 0.994 70 T HN 0.561 nan 8.240 nan 0.000 0.489 71 T N 5.781 120.267 114.554 -0.114 0.000 2.727 71 T HA 0.339 4.690 4.350 0.002 0.000 0.295 71 T C -2.580 171.894 174.700 -0.377 0.000 0.915 71 T CA -1.114 60.779 62.100 -0.344 0.000 1.066 71 T CB 0.929 69.309 68.868 -0.813 0.000 0.891 71 T HN 0.243 nan 8.240 nan 0.000 0.516 72 P HA 0.254 nan 4.420 nan 0.000 0.275 72 P C -0.080 177.066 177.300 -0.257 0.000 1.227 72 P CA -0.400 62.432 63.100 -0.446 0.000 0.781 72 P CB 1.107 32.614 31.700 -0.322 0.000 0.906 73 E N 0.790 120.853 120.200 -0.229 0.000 2.342 73 E HA 0.103 4.454 4.350 0.002 0.000 0.257 73 E C 0.882 177.488 176.600 0.010 0.000 1.150 73 E CA -0.459 55.973 56.400 0.053 0.000 0.926 73 E CB 0.129 29.861 29.700 0.054 0.000 1.074 73 E HN 0.345 nan 8.360 nan 0.000 0.449 74 F N 1.461 121.397 119.950 -0.024 0.000 2.025 74 F HA -0.253 4.275 4.527 0.002 0.000 0.297 74 F C 1.843 177.604 175.800 -0.065 0.000 1.132 74 F CA 1.727 59.705 58.000 -0.037 0.000 1.191 74 F CB -0.380 38.609 39.000 -0.019 0.000 0.963 74 F HN 0.458 nan 8.300 nan 0.000 0.481 75 L N 0.146 121.310 121.223 -0.098 0.000 2.127 75 L HA -0.155 4.186 4.340 0.002 0.000 0.211 75 L C 2.082 178.793 176.870 -0.266 0.000 1.089 75 L CA 2.476 57.188 54.840 -0.214 0.000 0.757 75 L CB -1.464 40.569 42.059 -0.043 0.000 0.899 75 L HN 0.260 nan 8.230 nan 0.000 0.434 76 T N -0.263 114.135 114.554 -0.261 0.000 2.708 76 T HA -0.170 4.181 4.350 0.002 0.000 0.266 76 T C 1.951 176.473 174.700 -0.296 0.000 1.037 76 T CA 1.741 63.647 62.100 -0.323 0.000 1.146 76 T CB -0.205 68.332 68.868 -0.551 0.000 0.865 76 T HN 0.397 nan 8.240 nan 0.000 0.435 77 R N 0.450 120.764 120.500 -0.310 0.000 2.096 77 R HA -0.091 4.250 4.340 0.002 0.000 0.240 77 R C 2.404 178.540 176.300 -0.273 0.000 1.139 77 R CA 1.341 57.286 56.100 -0.258 0.000 0.952 77 R CB -0.551 29.594 30.300 -0.258 0.000 0.854 77 R HN 0.324 nan 8.270 nan 0.000 0.436 78 I N 1.454 121.786 120.570 -0.397 0.000 2.099 78 I HA -0.287 3.884 4.170 0.002 0.000 0.239 78 I C 2.124 178.123 176.117 -0.195 0.000 1.066 78 I CA 1.662 62.766 61.300 -0.326 0.000 1.324 78 I CB -1.055 36.711 38.000 -0.389 0.000 1.037 78 I HN 0.190 nan 8.210 nan 0.000 0.401 79 K N 0.589 120.879 120.400 -0.183 0.000 2.074 79 K HA -0.181 4.140 4.320 0.002 0.000 0.209 79 K C 2.189 178.732 176.600 -0.095 0.000 1.048 79 K CA 1.265 57.475 56.287 -0.128 0.000 0.926 79 K CB -0.310 32.107 32.500 -0.138 0.000 0.713 79 K HN 0.298 nan 8.250 nan 0.000 0.444 80 L N 0.358 121.523 121.223 -0.097 0.000 2.083 80 L HA -0.180 4.161 4.340 0.002 0.000 0.209 80 L C 2.294 179.140 176.870 -0.041 0.000 1.083 80 L CA 0.504 55.315 54.840 -0.047 0.000 0.752 80 L CB -0.249 41.793 42.059 -0.027 0.000 0.899 80 L HN 0.145 nan 8.230 nan 0.000 0.433 81 L N -0.831 120.352 121.223 -0.066 0.000 2.291 81 L HA -0.118 4.223 4.340 0.002 0.000 0.214 81 L C 1.714 178.557 176.870 -0.045 0.000 1.120 81 L CA 1.442 56.249 54.840 -0.054 0.000 0.799 81 L CB -0.060 41.955 42.059 -0.073 0.000 0.925 81 L HN 0.136 nan 8.230 nan 0.000 0.446 82 L N -1.325 119.867 121.223 -0.050 0.000 2.640 82 L HA 0.182 4.523 4.340 0.002 0.000 0.230 82 L C 0.824 177.682 176.870 -0.019 0.000 1.123 82 L CA 0.331 55.148 54.840 -0.039 0.000 0.900 82 L CB -0.427 41.602 42.059 -0.050 0.000 1.146 82 L HN 0.011 nan 8.230 nan 0.000 0.484 83 K N 2.505 122.899 120.400 -0.009 0.000 2.248 83 K HA 0.324 4.645 4.320 0.002 0.000 0.281 83 K C -2.269 174.351 176.600 0.034 0.000 1.054 83 K CA -1.556 54.744 56.287 0.021 0.000 0.903 83 K CB 1.037 33.551 32.500 0.024 0.000 1.077 83 K HN -0.094 nan 8.250 nan 0.000 0.474 84 P HA 0.059 nan 4.420 nan 0.000 0.277 84 P C -0.456 176.891 177.300 0.078 0.000 1.240 84 P CA -0.413 62.719 63.100 0.053 0.000 0.798 84 P CB 0.945 32.677 31.700 0.053 0.000 0.979 85 T N -0.888 113.709 114.554 0.071 0.000 2.860 85 T HA 0.163 4.514 4.350 0.002 0.000 0.299 85 T C -1.723 173.045 174.700 0.114 0.000 1.045 85 T CA -1.225 60.923 62.100 0.081 0.000 1.071 85 T CB -0.065 68.840 68.868 0.062 0.000 0.985 85 T HN 0.160 nan 8.240 nan 0.000 0.537 86 P HA -0.085 nan 4.420 nan 0.000 0.217 86 P C 1.342 178.751 177.300 0.182 0.000 1.148 86 P CA 0.910 64.095 63.100 0.142 0.000 0.828 86 P CB 0.000 31.765 31.700 0.108 0.000 0.783 87 N N -1.558 117.235 118.700 0.155 0.000 2.270 87 N HA -0.063 4.678 4.740 0.002 0.000 0.181 87 N C 1.594 177.266 175.510 0.269 0.000 1.016 87 N CA 1.330 54.501 53.050 0.200 0.000 0.870 87 N CB -1.016 37.554 38.487 0.139 0.000 0.979 87 N HN 0.164 nan 8.380 nan 0.000 0.431 88 T N 0.827 115.497 114.554 0.193 0.000 2.737 88 T HA -0.022 4.329 4.350 0.002 0.000 0.265 88 T C 2.184 177.039 174.700 0.258 0.000 1.038 88 T CA 0.768 62.976 62.100 0.179 0.000 1.144 88 T CB -0.252 68.672 68.868 0.094 0.000 0.866 88 T HN -0.039 nan 8.240 nan 0.000 0.434 89 V N 1.127 121.175 119.914 0.223 0.000 2.358 89 V HA -0.184 3.937 4.120 0.002 0.000 0.246 89 V C 2.285 178.508 176.094 0.216 0.000 1.047 89 V CA 2.025 64.450 62.300 0.209 0.000 1.035 89 V CB -0.709 31.236 31.823 0.203 0.000 0.658 89 V HN 0.597 nan 8.190 nan 0.000 0.452 90 H N -0.975 118.202 119.070 0.179 0.000 2.387 90 H HA -0.238 4.319 4.556 0.002 0.000 0.299 90 H C 2.111 177.573 175.328 0.223 0.000 1.090 90 H CA 2.189 58.342 56.048 0.175 0.000 1.332 90 H CB -0.286 29.597 29.762 0.202 0.000 1.386 90 H HN 0.535 nan 8.280 nan 0.000 0.516 91 Y N 0.564 121.007 120.300 0.238 0.000 2.089 91 Y HA -0.201 4.350 4.550 0.002 0.000 0.282 91 Y C 2.262 178.427 175.900 0.442 0.000 1.139 91 Y CA 2.112 60.407 58.100 0.324 0.000 1.123 91 Y CB -0.346 38.287 38.460 0.289 0.000 0.980 91 Y HN 0.218 nan 8.280 nan 0.000 0.493 92 I N -0.299 120.690 120.570 0.697 0.000 2.194 92 I HA -0.329 3.842 4.170 0.002 0.000 0.246 92 I C 2.027 178.546 176.117 0.672 0.000 1.093 92 I CA 0.984 62.736 61.300 0.753 0.000 1.355 92 I CB -0.473 37.780 38.000 0.422 0.000 1.046 92 I HN 0.292 nan 8.210 nan 0.000 0.413 93 L N 0.514 121.869 121.223 0.222 0.000 2.275 93 L HA -0.102 4.239 4.340 0.002 0.000 0.215 93 L C 2.230 178.923 176.870 -0.295 0.000 1.119 93 L CA 1.980 56.692 54.840 -0.213 0.000 0.790 93 L CB -1.208 40.355 42.059 -0.828 0.000 0.919 93 L HN 0.413 nan 8.230 nan 0.000 0.443 94 T N -4.893 109.504 114.554 -0.261 0.000 3.176 94 T HA 0.270 4.621 4.350 0.002 0.000 0.263 94 T C 0.339 174.680 174.700 -0.598 0.000 1.021 94 T CA -0.276 61.473 62.100 -0.585 0.000 0.905 94 T CB -0.158 68.271 68.868 -0.732 0.000 1.057 94 T HN 0.249 nan 8.240 nan 0.000 0.558 95 H N -0.920 118.246 119.070 0.160 0.000 2.959 95 H HA 0.544 5.101 4.556 0.002 0.000 0.296 95 H C -0.717 174.812 175.328 0.335 0.000 1.421 95 H CA -1.644 54.374 56.048 -0.050 0.000 1.206 95 H CB 0.679 29.925 29.762 -0.859 0.000 1.891 95 H HN 0.029 nan 8.280 nan 0.000 0.573 96 F N -0.644 119.486 119.950 0.300 0.000 3.067 96 F HA -0.277 4.251 4.527 0.002 0.000 0.279 96 F C 1.602 177.481 175.800 0.132 0.000 0.945 96 F CA 0.695 58.763 58.000 0.113 0.000 0.948 96 F CB -1.289 37.685 39.000 -0.042 0.000 0.898 96 F HN 0.521 nan 8.300 nan 0.000 0.746 97 K N 1.093 121.598 120.400 0.174 0.000 2.160 97 K HA -0.157 4.164 4.320 0.002 0.000 0.206 97 K C 2.288 178.936 176.600 0.081 0.000 1.047 97 K CA 1.672 57.938 56.287 -0.034 0.000 0.930 97 K CB -0.558 31.620 32.500 -0.536 0.000 0.720 97 K HN 0.586 nan 8.250 nan 0.000 0.450 98 G N 0.463 109.296 108.800 0.054 0.000 2.421 98 G HA2 -0.255 3.706 3.960 0.002 0.000 0.216 98 G HA3 -0.255 3.706 3.960 0.002 0.000 0.216 98 G C 1.428 176.353 174.900 0.042 0.000 1.171 98 G CA 0.986 46.111 45.100 0.042 0.000 0.775 98 G HN 0.333 nan 8.290 nan 0.000 0.543 99 V N -1.155 118.754 119.914 -0.008 0.000 2.453 99 V HA -0.006 4.115 4.120 0.002 0.000 0.247 99 V C 2.272 178.320 176.094 -0.076 0.000 1.048 99 V CA 1.532 63.762 62.300 -0.118 0.000 1.049 99 V CB -0.644 31.003 31.823 -0.295 0.000 0.672 99 V HN 0.546 nan 8.190 nan 0.000 0.457 100 W N 0.681 122.054 121.300 0.122 0.000 2.364 100 W HA -0.112 4.549 4.660 0.002 0.000 0.281 100 W C 2.428 179.030 176.519 0.137 0.000 1.219 100 W CA 1.414 58.858 57.345 0.165 0.000 1.220 100 W CB -0.379 29.217 29.460 0.227 0.000 1.127 100 W HN 0.349 nan 8.180 nan 0.000 0.556 101 N N 0.663 119.535 118.700 0.286 0.000 2.106 101 N HA -0.175 4.566 4.740 0.002 0.000 0.188 101 N C 1.862 177.463 175.510 0.150 0.000 1.029 101 N CA 2.027 55.186 53.050 0.183 0.000 0.848 101 N CB -0.376 38.174 38.487 0.105 0.000 1.007 101 N HN 0.196 nan 8.380 nan 0.000 0.423 102 I N -1.702 118.936 120.570 0.113 0.000 2.202 102 I HA -0.157 4.014 4.170 0.002 0.000 0.242 102 I C 1.609 177.803 176.117 0.127 0.000 1.091 102 I CA 1.087 62.440 61.300 0.088 0.000 1.368 102 I CB -0.512 37.513 38.000 0.041 0.000 1.058 102 I HN -0.109 nan 8.210 nan 0.000 0.410 103 V N 2.265 122.280 119.914 0.168 0.000 2.255 103 V HA -0.270 3.851 4.120 0.002 0.000 0.247 103 V C 1.632 177.905 176.094 0.299 0.000 1.051 103 V CA 2.132 64.578 62.300 0.243 0.000 1.018 103 V CB -1.413 30.619 31.823 0.349 0.000 0.641 103 V HN 0.505 nan 8.190 nan 0.000 0.445 104 N N 0.498 119.394 118.700 0.328 0.000 2.719 104 N HA -0.012 4.729 4.740 0.002 0.000 0.207 104 N C 0.248 175.846 175.510 0.148 0.000 1.551 104 N CA 0.269 53.456 53.050 0.227 0.000 0.914 104 N CB -1.303 37.290 38.487 0.176 0.000 1.215 104 N HN 0.498 nan 8.380 nan 0.000 0.480 105 I N 0.146 120.799 120.570 0.139 0.000 2.827 105 I HA -0.310 3.861 4.170 0.002 0.000 0.126 105 I C -1.104 175.121 176.117 0.180 0.000 0.893 105 I CA -0.566 60.824 61.300 0.150 0.000 2.783 105 I CB -0.242 37.850 38.000 0.154 0.000 0.645 105 I HN 0.105 nan 8.210 nan 0.000 0.351 106 P HA -0.288 nan 4.420 nan 0.000 0.222 106 P C 1.501 178.908 177.300 0.179 0.000 1.159 106 P CA 1.807 64.998 63.100 0.152 0.000 0.920 106 P CB 0.020 31.802 31.700 0.137 0.000 0.793 107 F N -0.625 119.369 119.950 0.074 0.000 2.126 107 F HA -0.170 4.358 4.527 0.002 0.000 0.299 107 F C 2.207 178.058 175.800 0.084 0.000 1.096 107 F CA 1.437 59.479 58.000 0.069 0.000 1.255 107 F CB -0.870 38.162 39.000 0.053 0.000 0.997 107 F HN -0.213 nan 8.300 nan 0.000 0.479 108 L N -0.275 121.043 121.223 0.158 0.000 2.027 108 L HA -0.202 4.139 4.340 0.002 0.000 0.206 108 L C 2.793 179.718 176.870 0.092 0.000 1.074 108 L CA 1.477 56.367 54.840 0.082 0.000 0.745 108 L CB -0.604 41.553 42.059 0.163 0.000 0.898 108 L HN 0.067 nan 8.230 nan 0.000 0.433 109 R N -0.387 120.238 120.500 0.207 0.000 2.096 109 R HA -0.185 4.156 4.340 0.002 0.000 0.240 109 R C 2.383 178.850 176.300 0.279 0.000 1.139 109 R CA 2.044 58.368 56.100 0.373 0.000 0.952 109 R CB -0.115 30.347 30.300 0.270 0.000 0.854 109 R HN 0.291 nan 8.270 nan 0.000 0.436 110 S N 1.144 116.898 115.700 0.089 0.000 2.356 110 S HA -0.159 4.312 4.470 0.002 0.000 0.223 110 S C 1.885 176.456 174.600 -0.048 0.000 1.032 110 S CA 1.141 59.346 58.200 0.010 0.000 1.005 110 S CB -0.316 62.844 63.200 -0.067 0.000 0.867 110 S HN 0.320 nan 8.310 nan 0.000 0.449 111 L N 1.497 122.609 121.223 -0.185 0.000 1.990 111 L HA -0.173 4.168 4.340 0.002 0.000 0.213 111 L C 2.036 178.871 176.870 -0.059 0.000 1.072 111 L CA 1.385 56.103 54.840 -0.204 0.000 0.755 111 L CB -0.360 41.509 42.059 -0.316 0.000 0.889 111 L HN 0.272 nan 8.230 nan 0.000 0.432 112 I N -1.019 119.527 120.570 -0.039 0.000 2.179 112 I HA -0.315 3.856 4.170 0.002 0.000 0.242 112 I C 2.539 178.659 176.117 0.004 0.000 1.088 112 I CA 1.509 62.735 61.300 -0.124 0.000 1.357 112 I CB -1.076 36.599 38.000 -0.542 0.000 1.051 112 I HN 0.431 nan 8.210 nan 0.000 0.409 113 M N 1.138 120.870 119.600 0.221 0.000 2.202 113 M HA -0.215 4.266 4.480 0.002 0.000 0.262 113 M C 2.145 178.514 176.300 0.116 0.000 1.063 113 M CA 1.771 57.246 55.300 0.291 0.000 1.097 113 M CB -0.547 32.228 32.600 0.292 0.000 1.382 113 M HN 0.038 nan 8.290 nan 0.000 0.413 114 K N -1.471 118.966 120.400 0.062 0.000 2.057 114 K HA -0.224 4.097 4.320 0.002 0.000 0.207 114 K C 2.077 178.695 176.600 0.031 0.000 1.049 114 K CA 1.726 58.023 56.287 0.016 0.000 0.931 114 K CB -0.487 32.009 32.500 -0.007 0.000 0.714 114 K HN 0.487 nan 8.250 nan 0.000 0.440 115 Y N 0.911 121.192 120.300 -0.031 0.000 2.128 115 Y HA -0.243 4.308 4.550 0.002 0.000 0.284 115 Y C 1.885 177.788 175.900 0.005 0.000 1.154 115 Y CA 1.752 59.838 58.100 -0.023 0.000 1.149 115 Y CB -0.671 37.756 38.460 -0.054 0.000 0.976 115 Y HN -0.035 nan 8.280 nan 0.000 0.505 116 V N -0.287 119.489 119.914 -0.231 0.000 2.490 116 V HA -0.195 3.926 4.120 0.002 0.000 0.250 116 V C 2.027 178.021 176.094 -0.166 0.000 1.061 116 V CA 1.868 64.010 62.300 -0.264 0.000 1.064 116 V CB -0.763 31.084 31.823 0.040 0.000 0.670 116 V HN 0.420 nan 8.190 nan 0.000 0.461 117 L N 1.819 122.988 121.223 -0.090 0.000 2.007 117 L HA -0.040 4.301 4.340 0.002 0.000 0.205 117 L C 3.050 179.874 176.870 -0.076 0.000 1.073 117 L CA 2.899 57.698 54.840 -0.068 0.000 0.744 117 L CB -1.641 40.372 42.059 -0.077 0.000 0.898 117 L HN 0.716 nan 8.230 nan 0.000 0.435 118 T N -3.526 110.980 114.554 -0.080 0.000 2.962 118 T HA -0.116 4.235 4.350 0.002 0.000 0.270 118 T C 1.947 176.629 174.700 -0.029 0.000 1.088 118 T CA 1.164 63.248 62.100 -0.026 0.000 1.127 118 T CB -0.607 68.261 68.868 0.001 0.000 0.883 118 T HN 0.380 nan 8.240 nan 0.000 0.493 119 S N 1.265 116.855 115.700 -0.184 0.000 2.419 119 S HA -0.004 4.467 4.470 0.002 0.000 0.233 119 S C 2.135 176.744 174.600 0.014 0.000 1.016 119 S CA 0.167 58.269 58.200 -0.163 0.000 0.974 119 S CB -0.298 62.571 63.200 -0.553 0.000 0.786 119 S HN 0.277 nan 8.310 nan 0.000 0.492 120 R N 1.733 122.213 120.500 -0.033 0.000 2.066 120 R HA 0.284 4.625 4.340 0.002 0.000 0.224 120 R C 2.591 178.858 176.300 -0.055 0.000 1.122 120 R CA 0.908 56.982 56.100 -0.044 0.000 0.974 120 R CB -1.698 28.583 30.300 -0.031 0.000 0.871 120 R HN 0.452 nan 8.270 nan 0.000 0.435 121 S N 1.152 116.875 115.700 0.038 0.000 2.369 121 S HA -0.313 4.158 4.470 0.002 0.000 0.299 121 S C 1.718 176.335 174.600 0.029 0.000 1.123 121 S CA 2.368 60.621 58.200 0.089 0.000 1.430 121 S CB -1.132 62.161 63.200 0.155 0.000 1.297 121 S HN 0.652 nan 8.310 nan 0.000 0.463 122 Y N 1.039 121.329 120.300 -0.017 0.000 2.723 122 Y HA -0.026 4.525 4.550 0.002 0.000 0.286 122 Y C 1.515 177.369 175.900 -0.076 0.000 1.159 122 Y CA 0.301 58.377 58.100 -0.039 0.000 1.442 122 Y CB -0.239 38.203 38.460 -0.030 0.000 0.959 122 Y HN 0.133 nan 8.280 nan 0.000 0.581 123 L N 0.518 121.383 121.223 -0.596 0.000 2.168 123 L HA 0.114 4.455 4.340 0.002 0.000 0.203 123 L C 0.956 177.585 176.870 -0.402 0.000 1.078 123 L CA 0.369 54.825 54.840 -0.640 0.000 0.780 123 L CB -0.572 41.137 42.059 -0.583 0.000 0.939 123 L HN 0.234 nan 8.230 nan 0.000 0.451 124 I N 0.576 120.997 120.570 -0.248 0.000 2.396 124 I HA 0.131 4.302 4.170 0.002 0.000 0.292 124 I C -0.289 175.761 176.117 -0.113 0.000 0.999 124 I CA -0.798 60.411 61.300 -0.152 0.000 1.310 124 I CB 0.777 38.727 38.000 -0.084 0.000 1.404 124 I HN -0.006 nan 8.210 nan 0.000 0.496 125 D N 3.998 124.352 120.400 -0.077 0.000 2.339 125 D HA 0.232 4.873 4.640 0.002 0.000 0.256 125 D C 0.036 176.285 176.300 -0.085 0.000 1.214 125 D CA 0.456 54.407 54.000 -0.082 0.000 0.877 125 D CB 0.794 41.544 40.800 -0.084 0.000 1.111 125 D HN 0.420 nan 8.370 nan 0.000 0.478 126 S N 2.758 118.395 115.700 -0.105 0.000 2.689 126 S HA 0.417 4.888 4.470 0.002 0.000 0.274 126 S C -2.761 171.770 174.600 -0.114 0.000 1.176 126 S CA -1.340 56.791 58.200 -0.116 0.000 1.014 126 S CB 0.801 63.901 63.200 -0.166 0.000 1.071 126 S HN -0.003 nan 8.310 nan 0.000 0.478 127 P HA 0.175 nan 4.420 nan 0.000 0.266 127 P C -2.474 174.796 177.300 -0.050 0.000 1.186 127 P CA -0.571 62.513 63.100 -0.027 0.000 0.767 127 P CB -0.157 31.532 31.700 -0.018 0.000 0.820 128 P HA 0.016 nan 4.420 nan 0.000 0.272 128 P C 0.146 177.360 177.300 -0.143 0.000 1.240 128 P CA 0.036 63.081 63.100 -0.092 0.000 0.791 128 P CB 0.664 32.291 31.700 -0.121 0.000 0.978 129 T N -1.358 113.041 114.554 -0.258 0.000 3.330 129 T HA 0.203 4.553 4.350 0.002 0.000 0.185 129 T C 0.635 175.037 174.700 -0.497 0.000 0.874 129 T CA 0.052 61.852 62.100 -0.500 0.000 1.268 129 T CB -0.884 67.430 68.868 -0.923 0.000 1.866 129 T HN 0.272 nan 8.240 nan 0.000 0.395 130 Y N 3.512 123.767 120.300 -0.075 0.000 2.281 130 Y HA 0.509 5.061 4.550 0.002 0.000 0.337 130 Y C 1.146 176.970 175.900 -0.126 0.000 1.304 130 Y CA -0.637 57.404 58.100 -0.098 0.000 1.465 130 Y CB 0.345 38.765 38.460 -0.067 0.000 1.350 130 Y HN 0.744 nan 8.280 nan 0.000 0.575 131 N N -2.729 115.986 118.700 0.025 0.000 3.277 131 N HA 0.210 4.951 4.740 0.002 0.000 0.278 131 N C -0.273 175.179 175.510 -0.096 0.000 1.544 131 N CA -0.727 52.254 53.050 -0.116 0.000 0.869 131 N CB 1.705 39.933 38.487 -0.431 0.000 1.584 131 N HN 0.462 nan 8.380 nan 0.000 0.564 132 V N 0.555 120.390 119.914 -0.132 0.000 2.370 132 V HA -0.289 3.832 4.120 0.002 0.000 0.252 132 V C 1.502 177.591 176.094 -0.009 0.000 1.068 132 V CA 2.021 64.276 62.300 -0.076 0.000 1.061 132 V CB -1.108 30.623 31.823 -0.152 0.000 0.656 132 V HN 0.690 nan 8.190 nan 0.000 0.455 133 H N -3.362 115.660 119.070 -0.080 0.000 2.563 133 H HA 0.189 4.746 4.556 0.002 0.000 0.264 133 H C -0.404 174.566 175.328 -0.597 0.000 0.957 133 H CA 0.009 55.910 56.048 -0.245 0.000 1.173 133 H CB 0.311 29.968 29.762 -0.176 0.000 1.420 133 H HN 0.479 nan 8.280 nan 0.000 0.551 134 Y N -0.090 120.121 120.300 -0.148 0.000 2.338 134 Y HA 0.298 4.850 4.550 0.002 0.000 0.328 134 Y C 0.922 176.692 175.900 -0.217 0.000 0.965 134 Y CA -0.829 57.064 58.100 -0.346 0.000 1.208 134 Y CB 1.879 40.061 38.460 -0.462 0.000 1.132 134 Y HN 0.060 nan 8.280 nan 0.000 0.469 135 G N 2.507 111.228 108.800 -0.131 0.000 3.088 135 G HA2 0.100 4.061 3.960 0.002 0.000 0.212 135 G HA3 0.100 4.061 3.960 0.002 0.000 0.212 135 G C -0.456 174.508 174.900 0.105 0.000 1.173 135 G CA 0.255 45.319 45.100 -0.060 0.000 0.779 135 G HN 0.574 nan 8.290 nan 0.000 0.540 136 Y N -1.910 118.592 120.300 0.338 0.000 2.562 136 Y HA 0.629 5.180 4.550 0.001 0.000 0.345 136 Y C -0.230 175.859 175.900 0.316 0.000 1.045 136 Y CA -2.375 55.941 58.100 0.361 0.000 1.028 136 Y CB 0.824 39.408 38.460 0.206 0.000 1.297 136 Y HN -0.235 nan 8.280 nan 0.000 0.463 137 K N 2.348 122.927 120.400 0.299 0.000 2.489 137 K HA 0.414 4.735 4.320 0.002 0.000 0.278 137 K C -0.315 176.371 176.600 0.143 0.000 1.000 137 K CA 0.324 56.639 56.287 0.047 0.000 1.012 137 K CB 0.603 33.094 32.500 -0.015 0.000 0.903 137 K HN 0.952 nan 8.250 nan 0.000 0.485 138 S N 0.984 116.658 115.700 -0.042 0.000 2.570 138 S HA 0.179 4.650 4.470 0.002 0.000 0.270 138 S C 0.053 174.623 174.600 -0.050 0.000 1.149 138 S CA -1.119 57.074 58.200 -0.011 0.000 0.837 138 S CB 0.833 63.901 63.200 -0.219 0.000 1.124 138 S HN 0.893 nan 8.310 nan 0.000 0.465 139 W N 1.207 122.465 121.300 -0.070 0.000 2.467 139 W HA -0.031 4.630 4.660 0.002 0.000 0.275 139 W C 1.479 177.979 176.519 -0.032 0.000 1.239 139 W CA 1.994 59.343 57.345 0.006 0.000 1.266 139 W CB -0.021 29.455 29.460 0.026 0.000 1.112 139 W HN 1.052 nan 8.180 nan 0.000 0.576 140 E N 1.004 121.123 120.200 -0.136 0.000 2.047 140 E HA -0.148 4.203 4.350 0.002 0.000 0.191 140 E C 2.249 178.600 176.600 -0.415 0.000 0.987 140 E CA 2.378 58.639 56.400 -0.232 0.000 0.799 140 E CB -0.741 28.793 29.700 -0.276 0.000 0.752 140 E HN 0.036 nan 8.360 nan 0.000 0.449 141 A N 0.038 122.454 122.820 -0.674 0.000 1.908 141 A HA -0.135 4.186 4.320 0.002 0.000 0.218 141 A C 2.233 179.573 177.584 -0.407 0.000 1.181 141 A CA 1.570 53.266 52.037 -0.568 0.000 0.627 141 A CB -1.013 17.678 19.000 -0.515 0.000 0.818 141 A HN 0.499 nan 8.150 nan 0.000 0.445 142 F N 1.993 121.623 119.950 -0.534 0.000 2.084 142 F HA -0.159 4.369 4.527 0.001 0.000 0.296 142 F C 2.674 178.128 175.800 -0.576 0.000 1.111 142 F CA 2.153 59.807 58.000 -0.576 0.000 1.224 142 F CB -0.493 38.048 39.000 -0.765 0.000 0.991 142 F HN 0.283 nan 8.300 nan 0.000 0.471 143 S N -0.468 114.672 115.700 -0.933 0.000 2.414 143 S HA -0.094 4.377 4.470 0.002 0.000 0.227 143 S C 1.070 175.407 174.600 -0.439 0.000 1.022 143 S CA 0.354 58.065 58.200 -0.814 0.000 0.958 143 S CB -0.872 62.053 63.200 -0.459 0.000 0.797 143 S HN 0.399 nan 8.310 nan 0.000 0.493 144 N N 2.073 120.622 118.700 -0.251 0.000 2.400 144 N HA 0.165 4.906 4.740 0.002 0.000 0.267 144 N C 0.412 175.908 175.510 -0.023 0.000 1.208 144 N CA -0.043 52.991 53.050 -0.025 0.000 0.951 144 N CB 0.224 38.853 38.487 0.237 0.000 1.227 144 N HN 0.417 nan 8.380 nan 0.000 0.488 145 L N 1.577 122.758 121.223 -0.070 0.000 2.622 145 L HA -0.013 4.328 4.340 0.002 0.000 0.233 145 L C 1.705 178.657 176.870 0.135 0.000 1.156 145 L CA 0.264 55.093 54.840 -0.019 0.000 0.866 145 L CB -0.082 41.956 42.059 -0.035 0.000 0.980 145 L HN 0.384 nan 8.230 nan 0.000 0.448 146 S N -1.534 114.216 115.700 0.083 0.000 2.562 146 S HA 0.058 4.529 4.470 0.002 0.000 0.221 146 S C 0.336 174.933 174.600 -0.005 0.000 0.975 146 S CA 0.171 58.391 58.200 0.033 0.000 0.918 146 S CB -0.068 63.151 63.200 0.031 0.000 0.772 146 S HN 0.233 nan 8.310 nan 0.000 0.531 147 Y N -0.048 120.209 120.300 -0.070 0.000 2.376 147 Y HA 0.404 4.955 4.550 0.001 0.000 0.325 147 Y C -0.079 175.735 175.900 -0.144 0.000 1.199 147 Y CA -1.034 56.908 58.100 -0.264 0.000 1.206 147 Y CB 0.551 38.844 38.460 -0.277 0.000 1.229 147 Y HN 0.023 nan 8.280 nan 0.000 0.480 148 Y N 0.680 121.025 120.300 0.076 0.000 2.304 148 Y HA 0.172 4.723 4.550 0.002 0.000 0.327 148 Y C 0.879 176.810 175.900 0.051 0.000 1.209 148 Y CA -0.220 57.934 58.100 0.091 0.000 1.299 148 Y CB 1.141 39.620 38.460 0.033 0.000 1.249 148 Y HN 0.524 nan 8.280 nan 0.000 0.519 149 T N 3.093 117.779 114.554 0.219 0.000 2.788 149 T HA 0.439 4.790 4.350 0.002 0.000 0.280 149 T C -0.404 174.356 174.700 0.101 0.000 0.984 149 T CA -0.662 61.487 62.100 0.081 0.000 0.972 149 T CB 0.357 69.240 68.868 0.024 0.000 1.039 149 T HN 0.435 nan 8.240 nan 0.000 0.530 150 R N 0.949 121.508 120.500 0.099 0.000 2.561 150 R HA 0.562 4.903 4.340 0.002 0.000 0.297 150 R C 0.726 177.161 176.300 0.225 0.000 0.969 150 R CA -0.430 55.749 56.100 0.132 0.000 0.879 150 R CB 1.469 31.832 30.300 0.105 0.000 1.178 150 R HN 0.739 nan 8.270 nan 0.000 0.445 151 A N 3.845 126.844 122.820 0.297 0.000 1.930 151 A HA 0.083 4.404 4.320 0.002 0.000 0.217 151 A C 0.711 178.438 177.584 0.238 0.000 1.175 151 A CA 1.043 53.307 52.037 0.378 0.000 0.627 151 A CB 0.185 19.605 19.000 0.699 0.000 0.815 151 A HN 0.473 nan 8.150 nan 0.000 0.443 152 L N 0.447 121.760 121.223 0.150 0.000 2.386 152 L HA 0.363 4.704 4.340 0.002 0.000 0.271 152 L C -2.527 174.240 176.870 -0.170 0.000 0.993 152 L CA -2.521 52.238 54.840 -0.135 0.000 0.819 152 L CB 2.546 44.286 42.059 -0.530 0.000 1.294 152 L HN 0.033 nan 8.230 nan 0.000 0.414 153 P HA 0.120 nan 4.420 nan 0.000 0.270 153 P C -2.662 174.511 177.300 -0.213 0.000 1.223 153 P CA -1.048 61.785 63.100 -0.444 0.000 0.785 153 P CB -0.377 30.814 31.700 -0.848 0.000 0.923 154 P HA 0.032 nan 4.420 nan 0.000 0.272 154 P C -0.356 176.923 177.300 -0.034 0.000 1.240 154 P CA -0.047 63.040 63.100 -0.021 0.000 0.791 154 P CB 0.387 32.105 31.700 0.030 0.000 0.978 155 V N 1.200 121.123 119.914 0.015 0.000 2.488 155 V HA 0.222 4.343 4.120 0.002 0.000 0.277 155 V C 1.089 177.194 176.094 0.018 0.000 1.046 155 V CA -0.393 61.911 62.300 0.006 0.000 0.986 155 V CB 0.061 31.906 31.823 0.036 0.000 0.989 155 V HN 0.739 nan 8.190 nan 0.000 0.475 156 A N 3.892 126.716 122.820 0.006 0.000 2.565 156 A HA 0.024 4.345 4.320 0.002 0.000 0.237 156 A C 1.216 178.820 177.584 0.033 0.000 1.053 156 A CA -0.114 51.937 52.037 0.023 0.000 0.755 156 A CB -0.124 18.890 19.000 0.024 0.000 0.980 156 A HN 0.911 nan 8.150 nan 0.000 0.506 157 D N 1.062 121.485 120.400 0.038 0.000 2.221 157 D HA -0.154 4.487 4.640 0.002 0.000 0.204 157 D C 1.168 177.491 176.300 0.038 0.000 0.982 157 D CA 1.946 55.971 54.000 0.040 0.000 0.857 157 D CB -0.061 40.761 40.800 0.037 0.000 0.934 157 D HN 0.823 nan 8.370 nan 0.000 0.475 158 D N -0.536 119.887 120.400 0.038 0.000 2.328 158 D HA -0.046 4.595 4.640 0.002 0.000 0.226 158 D C 0.030 176.351 176.300 0.036 0.000 1.066 158 D CA -0.319 53.704 54.000 0.039 0.000 0.861 158 D CB -0.786 40.041 40.800 0.046 0.000 0.912 158 D HN 0.030 nan 8.370 nan 0.000 0.521 159 c N 2.167 120.787 118.600 0.032 0.000 2.676 159 c HA 0.159 4.730 4.570 0.002 0.000 0.416 159 c C -0.251 173.857 174.090 0.031 0.000 1.299 159 c CA -1.038 55.307 56.329 0.028 0.000 2.048 159 c CB 1.229 43.753 42.510 0.022 0.000 2.713 159 c HN 0.307 nan 8.230 nan 0.000 0.624 160 P HA -0.064 nan 4.420 nan 0.000 0.214 160 P C 0.533 177.852 177.300 0.032 0.000 1.162 160 P CA 1.706 64.823 63.100 0.029 0.000 0.879 160 P CB -0.266 31.450 31.700 0.027 0.000 0.786 161 T N -5.332 109.243 114.554 0.035 0.000 2.945 161 T HA 0.419 4.770 4.350 0.002 0.000 0.286 161 T C -2.158 172.571 174.700 0.050 0.000 1.025 161 T CA -2.225 59.901 62.100 0.043 0.000 1.039 161 T CB 1.626 70.522 68.868 0.047 0.000 1.068 161 T HN -0.225 nan 8.240 nan 0.000 0.497 162 P HA -0.024 nan 4.420 nan 0.000 0.218 162 P C 1.233 178.582 177.300 0.082 0.000 1.148 162 P CA 1.082 64.226 63.100 0.074 0.000 0.822 162 P CB 0.013 31.764 31.700 0.085 0.000 0.784 163 M N -2.438 117.210 119.600 0.080 0.000 2.431 163 M HA 0.307 4.788 4.480 0.002 0.000 0.237 163 M C 1.287 177.610 176.300 0.037 0.000 1.130 163 M CA 0.565 55.909 55.300 0.074 0.000 1.002 163 M CB -0.373 32.279 32.600 0.087 0.000 1.524 163 M HN 0.097 nan 8.290 nan 0.000 0.482 164 G N 0.577 109.396 108.800 0.031 0.000 1.819 164 G HA2 -0.213 3.748 3.960 0.002 0.000 0.217 164 G HA3 -0.213 3.748 3.960 0.002 0.000 0.217 164 G C 0.254 175.163 174.900 0.014 0.000 1.982 164 G CA 0.252 45.358 45.100 0.009 0.000 1.468 164 G HN 0.388 nan 8.290 nan 0.000 0.474 165 V N -1.322 118.599 119.914 0.012 0.000 3.451 165 V HA 0.573 4.694 4.120 0.002 0.000 0.288 165 V C 0.541 176.651 176.094 0.027 0.000 1.502 165 V CA 0.976 63.287 62.300 0.017 0.000 1.026 165 V CB 0.406 32.234 31.823 0.008 0.000 0.840 165 V HN 0.401 nan 8.190 nan 0.000 0.437 166 K N 1.269 121.688 120.400 0.032 0.000 2.087 166 K HA 0.673 4.994 4.320 0.002 0.000 0.255 166 K C 0.694 177.332 176.600 0.065 0.000 0.988 166 K CA 0.544 56.858 56.287 0.045 0.000 0.915 166 K CB 1.294 33.820 32.500 0.043 0.000 1.043 166 K HN 0.679 nan 8.250 nan 0.000 0.457 167 G N 1.353 110.198 108.800 0.076 0.000 2.632 167 G HA2 -0.230 3.731 3.960 0.002 0.000 0.224 167 G HA3 -0.230 3.731 3.960 0.002 0.000 0.224 167 G C -0.782 174.157 174.900 0.065 0.000 1.341 167 G CA -0.767 44.387 45.100 0.090 0.000 0.880 167 G HN 0.621 nan 8.290 nan 0.000 0.566 168 N N -0.120 118.615 118.700 0.060 0.000 2.478 168 N HA 0.301 5.042 4.740 0.002 0.000 0.275 168 N C 1.352 176.885 175.510 0.037 0.000 1.221 168 N CA -0.366 52.708 53.050 0.039 0.000 0.979 168 N CB 1.096 39.598 38.487 0.025 0.000 1.202 168 N HN 0.613 nan 8.380 nan 0.000 0.564 169 K N 0.354 120.771 120.400 0.028 0.000 2.362 169 K HA -0.098 4.223 4.320 0.002 0.000 0.202 169 K C -0.145 176.472 176.600 0.028 0.000 1.045 169 K CA 1.280 57.583 56.287 0.027 0.000 0.936 169 K CB 0.108 32.620 32.500 0.020 0.000 0.747 169 K HN 0.493 nan 8.250 nan 0.000 0.467 170 E N -0.120 120.093 120.200 0.023 0.000 2.340 170 E HA 0.237 4.588 4.350 0.002 0.000 0.273 170 E C -1.415 175.193 176.600 0.014 0.000 0.891 170 E CA -0.823 55.588 56.400 0.018 0.000 0.757 170 E CB 1.702 31.404 29.700 0.003 0.000 1.231 170 E HN -0.176 nan 8.360 nan 0.000 0.439 171 L N 2.824 124.059 121.223 0.019 0.000 2.439 171 L HA 0.395 4.736 4.340 0.002 0.000 0.261 171 L C -2.018 174.802 176.870 -0.083 0.000 1.153 171 L CA -2.147 52.698 54.840 0.008 0.000 0.808 171 L CB -0.299 41.805 42.059 0.075 0.000 1.126 171 L HN 0.440 nan 8.230 nan 0.000 0.460 172 P HA -0.004 nan 4.420 nan 0.000 0.268 172 P C -0.584 176.616 177.300 -0.166 0.000 1.205 172 P CA -0.458 62.479 63.100 -0.271 0.000 0.771 172 P CB 0.340 31.711 31.700 -0.548 0.000 0.858 173 D N 1.743 122.074 120.400 -0.114 0.000 2.658 173 D HA -0.091 4.550 4.640 0.002 0.000 0.230 173 D C 1.133 177.400 176.300 -0.054 0.000 1.118 173 D CA 0.567 54.527 54.000 -0.067 0.000 0.848 173 D CB 0.649 41.415 40.800 -0.057 0.000 1.160 173 D HN 0.300 nan 8.370 nan 0.000 0.497 174 S N 3.851 119.538 115.700 -0.022 0.000 2.423 174 S HA -0.166 4.305 4.470 0.002 0.000 0.231 174 S C 1.737 176.341 174.600 0.007 0.000 1.014 174 S CA 0.698 58.902 58.200 0.007 0.000 0.965 174 S CB 0.029 63.240 63.200 0.019 0.000 0.785 174 S HN 0.612 nan 8.310 nan 0.000 0.495 175 K N 1.073 121.469 120.400 -0.008 0.000 2.057 175 K HA -0.079 4.242 4.320 0.002 0.000 0.206 175 K C 2.081 178.675 176.600 -0.011 0.000 1.050 175 K CA 1.207 57.489 56.287 -0.008 0.000 0.935 175 K CB -0.066 32.426 32.500 -0.014 0.000 0.715 175 K HN 0.239 nan 8.250 nan 0.000 0.439 176 E N 0.453 120.638 120.200 -0.024 0.000 2.051 176 E HA -0.156 4.195 4.350 0.002 0.000 0.192 176 E C 2.111 178.698 176.600 -0.022 0.000 0.991 176 E CA 1.212 57.592 56.400 -0.034 0.000 0.799 176 E CB -0.276 29.388 29.700 -0.060 0.000 0.748 176 E HN 0.126 nan 8.360 nan 0.000 0.449 177 V N 2.292 122.198 119.914 -0.013 0.000 2.295 177 V HA -0.241 3.880 4.120 0.002 0.000 0.246 177 V C 2.618 178.734 176.094 0.038 0.000 1.049 177 V CA 1.393 63.712 62.300 0.031 0.000 1.024 177 V CB -0.651 31.225 31.823 0.089 0.000 0.648 177 V HN 0.253 nan 8.190 nan 0.000 0.447 178 L N 0.101 121.346 121.223 0.037 0.000 1.963 178 L HA -0.287 4.054 4.340 0.002 0.000 0.220 178 L C 2.780 179.662 176.870 0.019 0.000 1.076 178 L CA 2.480 57.343 54.840 0.037 0.000 0.772 178 L CB -0.449 41.630 42.059 0.032 0.000 0.892 178 L HN 0.468 nan 8.230 nan 0.000 0.435 179 E N -0.438 119.766 120.200 0.007 0.000 2.031 179 E HA -0.238 4.113 4.350 0.002 0.000 0.193 179 E C 2.144 178.741 176.600 -0.004 0.000 0.994 179 E CA 1.182 57.581 56.400 -0.001 0.000 0.800 179 E CB -0.098 29.598 29.700 -0.008 0.000 0.752 179 E HN 0.485 nan 8.360 nan 0.000 0.447 180 K N 0.523 120.919 120.400 -0.008 0.000 2.063 180 K HA -0.128 4.193 4.320 0.002 0.000 0.208 180 K C 2.128 178.722 176.600 -0.009 0.000 1.048 180 K CA 1.917 58.196 56.287 -0.012 0.000 0.928 180 K CB 0.058 32.547 32.500 -0.019 0.000 0.713 180 K HN 0.220 nan 8.250 nan 0.000 0.442 181 V N -3.356 116.558 119.914 -0.000 0.000 3.451 181 V HA 0.152 4.273 4.120 0.002 0.000 0.288 181 V C 1.386 177.475 176.094 -0.007 0.000 1.502 181 V CA -0.091 62.206 62.300 -0.004 0.000 1.026 181 V CB -0.059 31.765 31.823 0.003 0.000 0.840 181 V HN 0.046 nan 8.190 nan 0.000 0.437 182 L N -0.128 121.096 121.223 0.002 0.000 2.445 182 L HA 0.406 4.747 4.340 0.002 0.000 0.207 182 L C 1.014 177.893 176.870 0.014 0.000 1.053 182 L CA 0.242 55.085 54.840 0.004 0.000 0.841 182 L CB 0.172 42.244 42.059 0.021 0.000 1.074 182 L HN 0.204 nan 8.230 nan 0.000 0.479 183 L N 1.484 122.715 121.223 0.014 0.000 2.483 183 L HA 0.017 4.358 4.340 0.002 0.000 0.276 183 L C 0.783 177.659 176.870 0.011 0.000 1.213 183 L CA 0.212 55.060 54.840 0.013 0.000 0.843 183 L CB 0.227 42.289 42.059 0.004 0.000 1.107 183 L HN 0.224 nan 8.230 nan 0.000 0.487 184 R N 2.686 123.197 120.500 0.019 0.000 2.308 184 R HA 0.215 4.556 4.340 0.002 0.000 0.305 184 R C 0.426 176.738 176.300 0.020 0.000 1.053 184 R CA -0.570 55.545 56.100 0.025 0.000 0.957 184 R CB 0.871 31.206 30.300 0.059 0.000 1.022 184 R HN 0.615 nan 8.270 nan 0.000 0.461 185 R N 3.125 123.634 120.500 0.015 0.000 2.009 185 R HA 0.166 4.507 4.340 0.002 0.000 0.206 185 R C 0.040 176.358 176.300 0.030 0.000 1.356 185 R CA 0.702 56.810 56.100 0.014 0.000 1.088 185 R CB -0.324 29.977 30.300 0.003 0.000 0.959 185 R HN 0.636 nan 8.270 nan 0.000 0.469 186 E N 0.898 121.116 120.200 0.030 0.000 2.179 186 E HA 0.217 4.568 4.350 0.002 0.000 0.275 186 E C -1.196 175.456 176.600 0.087 0.000 0.945 186 E CA -0.792 55.642 56.400 0.057 0.000 0.792 186 E CB 1.645 31.364 29.700 0.032 0.000 1.125 186 E HN 0.013 nan 8.360 nan 0.000 0.397 187 F N 3.625 123.562 119.950 -0.021 0.000 2.612 187 F HA 0.033 4.561 4.527 0.002 0.000 0.389 187 F C -0.322 175.462 175.800 -0.027 0.000 1.055 187 F CA 0.238 58.225 58.000 -0.023 0.000 1.232 187 F CB 0.262 39.246 39.000 -0.026 0.000 1.044 187 F HN 0.352 nan 8.300 nan 0.000 0.560 188 I N 9.308 129.484 120.570 -0.656 0.000 2.330 188 I HA 0.249 4.420 4.170 0.002 0.000 0.286 188 I C -2.062 173.486 176.117 -0.948 0.000 1.025 188 I CA -2.204 58.755 61.300 -0.568 0.000 1.197 188 I CB 1.053 38.861 38.000 -0.321 0.000 1.358 188 I HN 0.424 nan 8.210 nan 0.000 0.467 189 P HA 0.024 nan 4.420 nan 0.000 0.271 189 P C -0.771 176.325 177.300 -0.341 0.000 1.218 189 P CA -0.221 62.528 63.100 -0.584 0.000 0.780 189 P CB 0.869 32.461 31.700 -0.179 0.000 0.901 190 D N 3.956 124.207 120.400 -0.249 0.000 2.371 190 D HA 0.037 4.678 4.640 0.002 0.000 0.256 190 D C -1.143 175.040 176.300 -0.195 0.000 1.193 190 D CA -2.000 51.859 54.000 -0.235 0.000 0.881 190 D CB 0.369 41.028 40.800 -0.236 0.000 1.143 190 D HN 0.170 nan 8.370 nan 0.000 0.473 191 P HA -0.178 nan 4.420 nan 0.000 0.219 191 P C 0.718 177.917 177.300 -0.168 0.000 1.146 191 P CA 1.116 64.118 63.100 -0.163 0.000 0.808 191 P CB 0.233 31.837 31.700 -0.159 0.000 0.779 192 Q N -1.100 118.558 119.800 -0.235 0.000 2.482 192 Q HA 0.162 4.503 4.340 0.002 0.000 0.209 192 Q C 1.219 177.142 176.000 -0.127 0.000 0.961 192 Q CA 0.617 56.267 55.803 -0.257 0.000 0.945 192 Q CB -0.302 28.156 28.738 -0.466 0.000 1.012 192 Q HN 0.300 nan 8.270 nan 0.000 0.515 193 G N 1.066 109.813 108.800 -0.089 0.000 2.143 193 G HA2 -0.264 3.697 3.960 0.002 0.000 0.249 193 G HA3 -0.264 3.697 3.960 0.002 0.000 0.249 193 G C 0.077 174.985 174.900 0.013 0.000 0.981 193 G CA 0.224 45.316 45.100 -0.012 0.000 0.665 193 G HN 0.300 nan 8.290 nan 0.000 0.528 194 S N 1.006 116.690 115.700 -0.027 0.000 2.558 194 S HA 0.363 4.834 4.470 0.002 0.000 0.291 194 S C 0.837 175.448 174.600 0.019 0.000 1.306 194 S CA 0.735 58.879 58.200 -0.093 0.000 1.056 194 S CB 0.662 63.687 63.200 -0.292 0.000 0.836 194 S HN 1.024 nan 8.310 nan 0.000 0.504 195 N N 1.342 120.104 118.700 0.104 0.000 2.989 195 N HA 0.393 5.134 4.740 0.002 0.000 0.338 195 N C 0.434 176.090 175.510 0.243 0.000 1.369 195 N CA -0.905 52.247 53.050 0.170 0.000 0.794 195 N CB -0.092 38.496 38.487 0.169 0.000 1.359 195 N HN 0.274 nan 8.380 nan 0.000 0.609 196 M N -0.450 119.266 119.600 0.195 0.000 2.492 196 M HA 0.146 4.627 4.480 0.002 0.000 0.262 196 M C 1.282 177.749 176.300 0.278 0.000 1.090 196 M CA 0.815 56.171 55.300 0.093 0.000 1.110 196 M CB -0.984 31.464 32.600 -0.254 0.000 1.407 196 M HN 0.507 nan 8.290 nan 0.000 0.470 197 M N -1.088 118.781 119.600 0.450 0.000 2.132 197 M HA -0.137 4.344 4.480 0.002 0.000 0.263 197 M C 2.211 178.987 176.300 0.793 0.000 1.065 197 M CA 1.425 57.124 55.300 0.664 0.000 1.122 197 M CB -1.319 31.624 32.600 0.572 0.000 1.365 197 M HN 0.221 nan 8.290 nan 0.000 0.411 198 F N 1.010 121.254 119.950 0.490 0.000 2.113 198 F HA -0.068 4.460 4.527 0.001 0.000 0.297 198 F C 2.280 178.233 175.800 0.256 0.000 1.103 198 F CA 1.638 59.750 58.000 0.187 0.000 1.248 198 F CB -0.346 38.613 39.000 -0.069 0.000 0.999 198 F HN 0.114 nan 8.300 nan 0.000 0.475 199 A N 0.054 123.075 122.820 0.336 0.000 1.908 199 A HA -0.201 4.120 4.320 0.002 0.000 0.218 199 A C 2.037 179.620 177.584 -0.002 0.000 1.181 199 A CA 1.904 54.028 52.037 0.145 0.000 0.627 199 A CB -1.531 17.503 19.000 0.057 0.000 0.818 199 A HN 0.460 nan 8.150 nan 0.000 0.445 200 F N -2.035 118.054 119.950 0.230 0.000 2.367 200 F HA 0.054 4.582 4.527 0.002 0.000 0.298 200 F C 1.879 177.832 175.800 0.254 0.000 1.094 200 F CA 0.817 58.984 58.000 0.279 0.000 1.409 200 F CB -0.435 38.785 39.000 0.367 0.000 1.064 200 F HN 0.348 nan 8.300 nan 0.000 0.528 201 F N 0.466 120.540 119.950 0.207 0.000 2.186 201 F HA -0.098 4.430 4.527 0.002 0.000 0.299 201 F C 2.335 178.050 175.800 -0.142 0.000 1.090 201 F CA 1.197 59.052 58.000 -0.242 0.000 1.307 201 F CB -0.348 38.558 39.000 -0.156 0.000 1.019 201 F HN -0.085 nan 8.300 nan 0.000 0.489 202 A N -0.136 122.783 122.820 0.165 0.000 1.902 202 A HA -0.276 4.045 4.320 0.002 0.000 0.217 202 A C 2.087 179.672 177.584 0.001 0.000 1.181 202 A CA 1.920 54.068 52.037 0.185 0.000 0.623 202 A CB -0.977 18.166 19.000 0.239 0.000 0.818 202 A HN 0.571 nan 8.150 nan 0.000 0.443 203 Q N -1.286 118.516 119.800 0.004 0.000 2.083 203 Q HA -0.195 4.146 4.340 0.002 0.000 0.198 203 Q C 2.097 178.040 176.000 -0.095 0.000 0.969 203 Q CA 1.703 57.482 55.803 -0.039 0.000 0.838 203 Q CB -0.361 28.396 28.738 0.032 0.000 0.900 203 Q HN 0.847 nan 8.270 nan 0.000 0.436 204 H N -0.668 118.276 119.070 -0.210 0.000 2.299 204 H HA -0.158 4.399 4.556 0.002 0.000 0.302 204 H C 1.861 177.007 175.328 -0.303 0.000 1.078 204 H CA 1.717 57.573 56.048 -0.320 0.000 1.323 204 H CB -0.359 29.158 29.762 -0.407 0.000 1.381 204 H HN 0.409 nan 8.280 nan 0.000 0.498 205 F N 2.301 121.873 119.950 -0.631 0.000 2.043 205 F HA -0.250 4.278 4.527 0.002 0.000 0.297 205 F C 2.836 178.036 175.800 -0.999 0.000 1.121 205 F CA 2.816 60.339 58.000 -0.795 0.000 1.199 205 F CB -1.087 37.456 39.000 -0.762 0.000 0.968 205 F HN 0.272 nan 8.300 nan 0.000 0.478 206 T N -1.227 112.585 114.554 -1.236 0.000 3.051 206 T HA 0.017 4.368 4.350 0.002 0.000 0.269 206 T C 1.936 175.663 174.700 -1.621 0.000 1.127 206 T CA 0.721 61.598 62.100 -2.039 0.000 1.107 206 T CB -1.009 66.907 68.868 -1.586 0.000 0.898 206 T HN 0.347 nan 8.240 nan 0.000 0.517 207 A N 1.998 124.256 122.820 -0.937 0.000 2.121 207 A HA -0.071 4.250 4.320 0.002 0.000 0.218 207 A C 2.470 179.646 177.584 -0.680 0.000 1.154 207 A CA 1.201 52.908 52.037 -0.550 0.000 0.679 207 A CB -0.635 18.333 19.000 -0.054 0.000 0.795 207 A HN 0.836 nan 8.150 nan 0.000 0.458 208 Q N -0.906 118.274 119.800 -1.033 0.000 2.311 208 Q HA -0.029 4.312 4.340 0.002 0.000 0.203 208 Q C 1.436 177.111 176.000 -0.542 0.000 0.954 208 Q CA 1.451 56.781 55.803 -0.789 0.000 0.885 208 Q CB -0.407 27.743 28.738 -0.980 0.000 0.963 208 Q HN 0.834 nan 8.270 nan 0.000 0.471 209 F N -3.268 116.266 119.950 -0.694 0.000 2.728 209 F HA 0.481 5.009 4.527 0.001 0.000 0.314 209 F C -0.116 175.444 175.800 -0.400 0.000 1.094 209 F CA -1.059 56.595 58.000 -0.575 0.000 1.217 209 F CB 0.556 39.180 39.000 -0.627 0.000 1.056 209 F HN -0.220 nan 8.300 nan 0.000 0.577 210 F N 3.454 123.172 119.950 -0.387 0.000 2.300 210 F HA 0.473 5.001 4.527 0.002 0.000 0.364 210 F C -0.275 175.412 175.800 -0.188 0.000 1.090 210 F CA -1.623 56.255 58.000 -0.203 0.000 1.200 210 F CB 0.749 39.481 39.000 -0.447 0.000 1.493 210 F HN -0.050 nan 8.300 nan 0.000 0.518 211 K N 1.272 121.701 120.400 0.048 0.000 2.762 211 K HA 0.248 4.569 4.320 0.002 0.000 0.180 211 K C -0.100 176.435 176.600 -0.109 0.000 1.067 211 K CA -0.343 55.895 56.287 -0.082 0.000 0.973 211 K CB 0.844 33.244 32.500 -0.167 0.000 1.290 211 K HN 0.230 nan 8.250 nan 0.000 0.604 212 T N 1.346 115.862 114.554 -0.064 0.000 2.905 212 T HA -0.085 4.266 4.350 0.002 0.000 0.299 212 T C 0.248 174.691 174.700 -0.428 0.000 1.024 212 T CA 0.315 62.319 62.100 -0.160 0.000 1.151 212 T CB 0.215 68.995 68.868 -0.148 0.000 0.987 212 T HN 0.294 nan 8.240 nan 0.000 0.535 213 D N 1.797 122.045 120.400 -0.254 0.000 2.558 213 D HA 0.041 4.682 4.640 0.002 0.000 0.221 213 D C 1.383 177.584 176.300 -0.165 0.000 1.143 213 D CA -0.372 53.503 54.000 -0.209 0.000 1.010 213 D CB -0.061 40.654 40.800 -0.140 0.000 1.068 213 D HN 0.531 nan 8.370 nan 0.000 0.511 214 H N 1.918 120.986 119.070 -0.004 0.000 2.394 214 H HA -0.139 4.417 4.556 0.002 0.000 0.297 214 H C 1.497 176.805 175.328 -0.034 0.000 1.113 214 H CA 1.005 57.051 56.048 -0.003 0.000 1.277 214 H CB 0.322 30.081 29.762 -0.005 0.000 1.370 214 H HN 0.418 nan 8.280 nan 0.000 0.506 215 K N 0.654 121.075 120.400 0.035 0.000 2.283 215 K HA -0.062 4.259 4.320 0.002 0.000 0.202 215 K C 2.099 178.629 176.600 -0.117 0.000 1.048 215 K CA 0.615 56.882 56.287 -0.034 0.000 0.948 215 K CB 0.189 32.655 32.500 -0.057 0.000 0.742 215 K HN 0.362 nan 8.250 nan 0.000 0.458 216 R N -0.445 119.936 120.500 -0.199 0.000 2.167 216 R HA 0.109 4.450 4.340 0.002 0.000 0.201 216 R C 0.737 176.904 176.300 -0.222 0.000 1.024 216 R CA 0.576 56.407 56.100 -0.449 0.000 1.053 216 R CB 0.916 30.648 30.300 -0.945 0.000 0.987 216 R HN 0.190 nan 8.270 nan 0.000 0.493 217 G N 0.182 109.018 108.800 0.060 0.000 2.347 217 G HA2 -0.075 3.886 3.960 0.002 0.000 0.321 217 G HA3 -0.075 3.886 3.960 0.002 0.000 0.321 217 G C -2.561 172.514 174.900 0.292 0.000 1.412 217 G CA -0.933 44.318 45.100 0.250 0.000 0.990 217 G HN -0.230 nan 8.290 nan 0.000 0.637 218 P HA -0.010 nan 4.420 nan 0.000 0.219 218 P C 1.611 179.041 177.300 0.216 0.000 1.146 218 P CA 1.802 65.000 63.100 0.164 0.000 0.808 218 P CB 0.028 31.776 31.700 0.081 0.000 0.779 219 G N -2.002 106.908 108.800 0.184 0.000 3.181 219 G HA2 0.159 4.120 3.960 0.002 0.000 0.219 219 G HA3 0.159 4.120 3.960 0.002 0.000 0.219 219 G C -0.087 174.733 174.900 -0.134 0.000 1.182 219 G CA -0.127 45.023 45.100 0.082 0.000 0.791 219 G HN 0.150 nan 8.290 nan 0.000 0.537 220 F N -0.772 119.203 119.950 0.042 0.000 2.538 220 F HA 0.663 5.191 4.527 0.001 0.000 0.325 220 F C 0.354 175.901 175.800 -0.423 0.000 1.066 220 F CA -0.771 57.094 58.000 -0.225 0.000 0.946 220 F CB 2.586 41.431 39.000 -0.258 0.000 1.199 220 F HN -0.139 nan 8.300 nan 0.000 0.473 221 T N 0.397 114.698 114.554 -0.421 0.000 2.906 221 T HA 0.443 4.794 4.350 0.002 0.000 0.295 221 T C 0.351 174.857 174.700 -0.322 0.000 1.075 221 T CA -0.571 61.186 62.100 -0.573 0.000 1.005 221 T CB 1.546 69.773 68.868 -1.068 0.000 1.136 221 T HN 0.727 nan 8.240 nan 0.000 0.498 222 R N 0.959 121.295 120.500 -0.274 0.000 2.397 222 R HA 0.262 4.603 4.340 0.002 0.000 0.241 222 R C 1.136 177.311 176.300 -0.209 0.000 0.914 222 R CA -0.052 55.928 56.100 -0.201 0.000 1.071 222 R CB 0.585 30.787 30.300 -0.164 0.000 1.116 222 R HN 0.633 nan 8.270 nan 0.000 0.524 223 G N 1.215 109.847 108.800 -0.280 0.000 3.161 223 G HA2 0.158 4.119 3.960 0.002 0.000 0.293 223 G HA3 0.158 4.119 3.960 0.002 0.000 0.293 223 G C 0.745 175.443 174.900 -0.337 0.000 0.893 223 G CA -0.388 44.550 45.100 -0.272 0.000 1.756 223 G HN 0.144 nan 8.290 nan 0.000 0.549 224 L N 1.643 122.760 121.223 -0.177 0.000 2.549 224 L HA 0.008 4.349 4.340 0.002 0.000 0.229 224 L C 2.601 179.517 176.870 0.076 0.000 1.158 224 L CA 0.825 55.642 54.840 -0.037 0.000 0.842 224 L CB -0.015 42.035 42.059 -0.016 0.000 0.952 224 L HN 0.531 nan 8.230 nan 0.000 0.452 225 G N -2.201 106.586 108.800 -0.021 0.000 2.511 225 G HA2 -0.141 3.820 3.960 0.002 0.000 0.217 225 G HA3 -0.141 3.820 3.960 0.002 0.000 0.217 225 G C 0.636 175.582 174.900 0.076 0.000 1.133 225 G CA -0.155 44.957 45.100 0.020 0.000 0.792 225 G HN 0.580 nan 8.290 nan 0.000 0.539 226 H N -0.290 118.731 119.070 -0.081 0.000 2.626 226 H HA -0.161 4.396 4.556 0.002 0.000 0.317 226 H C 1.087 176.328 175.328 -0.145 0.000 1.140 226 H CA 0.981 56.975 56.048 -0.090 0.000 1.134 226 H CB -1.389 28.320 29.762 -0.089 0.000 1.486 226 H HN 0.793 nan 8.280 nan 0.000 0.417 227 G N -1.643 107.092 108.800 -0.109 0.000 2.336 227 G HA2 0.231 4.192 3.960 0.002 0.000 0.286 227 G HA3 0.231 4.192 3.960 0.002 0.000 0.286 227 G C -0.755 174.071 174.900 -0.123 0.000 1.269 227 G CA -0.323 44.647 45.100 -0.217 0.000 0.873 227 G HN 0.153 nan 8.290 nan 0.000 0.494 228 V N 2.306 122.164 119.914 -0.093 0.000 2.242 228 V HA 0.232 4.353 4.120 0.002 0.000 0.242 228 V C 0.532 176.645 176.094 0.031 0.000 1.240 228 V CA 1.003 63.301 62.300 -0.003 0.000 1.211 228 V CB 0.040 31.924 31.823 0.101 0.000 1.338 228 V HN 0.756 nan 8.190 nan 0.000 0.499 229 D N 2.777 123.188 120.400 0.019 0.000 2.398 229 D HA 0.055 4.696 4.640 0.002 0.000 0.210 229 D C 0.923 177.300 176.300 0.129 0.000 1.094 229 D CA -0.349 53.688 54.000 0.061 0.000 0.839 229 D CB 0.155 40.977 40.800 0.037 0.000 0.963 229 D HN 0.303 nan 8.370 nan 0.000 0.506 230 L N 0.909 122.212 121.223 0.133 0.000 3.865 230 L HA -0.306 4.035 4.340 0.002 0.000 0.408 230 L C 0.632 177.657 176.870 0.259 0.000 1.209 230 L CA 0.791 55.773 54.840 0.237 0.000 0.940 230 L CB -2.494 39.697 42.059 0.219 0.000 1.971 230 L HN 0.336 nan 8.230 nan 0.000 0.899 231 N N -0.431 118.380 118.700 0.184 0.000 2.512 231 N HA -0.162 4.579 4.740 0.002 0.000 0.183 231 N C 1.701 177.230 175.510 0.031 0.000 1.073 231 N CA 1.359 54.471 53.050 0.102 0.000 0.911 231 N CB -0.152 38.340 38.487 0.007 0.000 0.964 231 N HN 0.694 nan 8.380 nan 0.000 0.447 232 H N -0.898 118.034 119.070 -0.230 0.000 2.555 232 H HA 0.189 4.746 4.556 0.002 0.000 0.269 232 H C 1.293 176.501 175.328 -0.200 0.000 0.988 232 H CA 0.338 56.199 56.048 -0.312 0.000 1.178 232 H CB -0.176 29.363 29.762 -0.372 0.000 1.373 232 H HN 0.398 nan 8.280 nan 0.000 0.588 233 I N -0.868 119.431 120.570 -0.451 0.000 3.194 233 I HA -0.048 4.123 4.170 0.002 0.000 0.271 233 I C 1.239 177.082 176.117 -0.456 0.000 1.150 233 I CA 0.111 61.072 61.300 -0.565 0.000 1.440 233 I CB 0.117 37.542 38.000 -0.959 0.000 1.276 233 I HN -0.029 nan 8.210 nan 0.000 0.457 234 Y N 1.503 121.777 120.300 -0.043 0.000 2.500 234 Y HA 0.431 4.982 4.550 0.002 0.000 0.270 234 Y C 1.177 177.084 175.900 0.013 0.000 1.134 234 Y CA 0.215 58.333 58.100 0.030 0.000 1.293 234 Y CB -0.209 38.322 38.460 0.118 0.000 1.063 234 Y HN 0.166 nan 8.280 nan 0.000 0.534 235 G N 0.488 109.340 108.800 0.088 0.000 2.712 235 G HA2 -0.178 3.783 3.960 0.002 0.000 0.686 235 G HA3 -0.178 3.783 3.960 0.002 0.000 0.686 235 G C 0.217 175.133 174.900 0.027 0.000 1.181 235 G CA -0.438 44.678 45.100 0.028 0.000 0.762 235 G HN 0.053 nan 8.290 nan 0.000 0.641 236 E N -0.566 119.621 120.200 -0.022 0.000 2.152 236 E HA 0.003 4.354 4.350 0.002 0.000 0.192 236 E C 1.851 178.435 176.600 -0.027 0.000 0.983 236 E CA 1.831 58.211 56.400 -0.033 0.000 0.818 236 E CB 0.044 29.705 29.700 -0.064 0.000 0.758 236 E HN 0.994 nan 8.360 nan 0.000 0.467 237 T N -2.489 112.046 114.554 -0.031 0.000 2.912 237 T HA 0.302 4.653 4.350 0.002 0.000 0.288 237 T C 1.227 175.885 174.700 -0.070 0.000 1.030 237 T CA -0.762 61.310 62.100 -0.046 0.000 1.020 237 T CB 1.552 70.392 68.868 -0.048 0.000 1.056 237 T HN -0.087 nan 8.240 nan 0.000 0.480 238 L N 0.652 121.804 121.223 -0.118 0.000 2.127 238 L HA -0.115 4.226 4.340 0.002 0.000 0.211 238 L C 1.832 178.525 176.870 -0.295 0.000 1.089 238 L CA 1.994 56.680 54.840 -0.257 0.000 0.757 238 L CB -0.576 41.312 42.059 -0.285 0.000 0.899 238 L HN 0.836 nan 8.230 nan 0.000 0.434 239 D N -0.800 119.514 120.400 -0.143 0.000 2.117 239 D HA -0.218 4.423 4.640 0.002 0.000 0.197 239 D C 2.303 178.605 176.300 0.002 0.000 0.987 239 D CA 1.108 55.075 54.000 -0.054 0.000 0.829 239 D CB 0.062 40.846 40.800 -0.026 0.000 0.961 239 D HN 0.137 nan 8.370 nan 0.000 0.460 240 R N 0.261 120.754 120.500 -0.011 0.000 2.066 240 R HA -0.116 4.225 4.340 0.002 0.000 0.232 240 R C 2.253 178.578 176.300 0.041 0.000 1.131 240 R CA 1.127 57.237 56.100 0.017 0.000 0.955 240 R CB -0.074 30.226 30.300 0.000 0.000 0.851 240 R HN 0.209 nan 8.270 nan 0.000 0.432 241 Q N -0.403 119.410 119.800 0.021 0.000 2.077 241 Q HA -0.248 4.093 4.340 0.002 0.000 0.206 241 Q C 1.656 177.702 176.000 0.076 0.000 0.989 241 Q CA 1.839 57.666 55.803 0.040 0.000 0.853 241 Q CB -0.106 28.625 28.738 -0.012 0.000 0.907 241 Q HN 0.486 nan 8.270 nan 0.000 0.418 242 H N 0.451 119.518 119.070 -0.004 0.000 2.387 242 H HA -0.043 4.514 4.556 0.002 0.000 0.299 242 H C 1.841 177.255 175.328 0.142 0.000 1.090 242 H CA 1.500 57.614 56.048 0.111 0.000 1.332 242 H CB 0.058 29.939 29.762 0.200 0.000 1.386 242 H HN 0.251 nan 8.280 nan 0.000 0.516 243 K N -0.031 120.494 120.400 0.208 0.000 2.283 243 K HA 0.008 4.329 4.320 0.002 0.000 0.202 243 K C 1.765 178.423 176.600 0.097 0.000 1.048 243 K CA 0.546 56.916 56.287 0.140 0.000 0.948 243 K CB 0.188 32.745 32.500 0.096 0.000 0.742 243 K HN 0.200 nan 8.250 nan 0.000 0.458 244 L N 0.020 121.285 121.223 0.070 0.000 2.529 244 L HA 0.084 4.425 4.340 0.002 0.000 0.223 244 L C 0.596 177.472 176.870 0.010 0.000 1.113 244 L CA -0.004 54.867 54.840 0.052 0.000 0.861 244 L CB 0.115 42.210 42.059 0.059 0.000 1.012 244 L HN -0.007 nan 8.230 nan 0.000 0.461 245 R N -0.048 120.389 120.500 -0.105 0.000 2.459 245 R HA 0.143 4.484 4.340 0.002 0.000 0.281 245 R C 0.746 176.911 176.300 -0.226 0.000 1.050 245 R CA -0.445 55.469 56.100 -0.310 0.000 1.055 245 R CB 1.357 31.113 30.300 -0.907 0.000 1.045 245 R HN -0.087 nan 8.270 nan 0.000 0.495 246 L N 2.303 123.446 121.223 -0.134 0.000 2.307 246 L HA 0.166 4.507 4.340 0.002 0.000 0.211 246 L C 0.054 176.988 176.870 0.106 0.000 1.099 246 L CA 1.086 55.945 54.840 0.031 0.000 0.816 246 L CB -0.121 42.006 42.059 0.112 0.000 0.952 246 L HN 0.797 nan 8.230 nan 0.000 0.455 247 F N 0.060 120.030 119.950 0.033 0.000 3.080 247 F HA -0.290 4.238 4.527 0.002 0.000 0.292 247 F C 0.024 175.848 175.800 0.040 0.000 0.891 247 F CA 0.806 58.806 58.000 -0.001 0.000 1.086 247 F CB -1.604 37.360 39.000 -0.061 0.000 1.095 247 F HN 0.185 nan 8.300 nan 0.000 0.633 248 K N -0.200 120.301 120.400 0.168 0.000 2.588 248 K HA 0.325 4.646 4.320 0.002 0.000 0.250 248 K C -0.243 176.452 176.600 0.159 0.000 0.972 248 K CA -0.893 55.488 56.287 0.157 0.000 0.821 248 K CB 1.949 34.533 32.500 0.139 0.000 1.249 248 K HN -0.042 nan 8.250 nan 0.000 0.442 249 D N 1.231 121.726 120.400 0.159 0.000 3.059 249 D HA -0.189 4.452 4.640 0.002 0.000 0.220 249 D C 0.870 177.286 176.300 0.193 0.000 1.169 249 D CA 2.060 56.158 54.000 0.165 0.000 0.902 249 D CB -1.080 39.807 40.800 0.144 0.000 1.116 249 D HN 1.146 nan 8.370 nan 0.000 0.417 250 G N -0.369 108.561 108.800 0.216 0.000 2.168 250 G HA2 -0.402 3.559 3.960 0.002 0.000 0.263 250 G HA3 -0.402 3.559 3.960 0.002 0.000 0.263 250 G C 0.445 175.607 174.900 0.437 0.000 0.977 250 G CA 1.081 46.365 45.100 0.306 0.000 0.659 250 G HN 0.509 nan 8.290 nan 0.000 0.533 251 K N -0.900 119.696 120.400 0.327 0.000 2.118 251 K HA 0.608 4.929 4.320 0.002 0.000 0.240 251 K C 0.113 176.921 176.600 0.346 0.000 1.035 251 K CA -0.774 55.755 56.287 0.404 0.000 0.899 251 K CB 0.576 33.256 32.500 0.300 0.000 1.085 251 K HN 0.026 nan 8.250 nan 0.000 0.498 252 L N 1.759 123.193 121.223 0.351 0.000 2.334 252 L HA 0.251 4.592 4.340 0.002 0.000 0.275 252 L C 0.247 177.282 176.870 0.275 0.000 1.036 252 L CA -0.110 54.856 54.840 0.211 0.000 0.807 252 L CB 1.225 43.365 42.059 0.134 0.000 1.231 252 L HN 0.429 nan 8.230 nan 0.000 0.438 253 K N 2.512 123.019 120.400 0.179 0.000 2.336 253 K HA 0.315 4.636 4.320 0.002 0.000 0.262 253 K C -1.242 175.518 176.600 0.267 0.000 0.992 253 K CA 0.193 56.570 56.287 0.151 0.000 0.927 253 K CB 0.587 33.127 32.500 0.066 0.000 0.956 253 K HN 0.617 nan 8.250 nan 0.000 0.495 254 Y N -2.604 117.746 120.300 0.083 0.000 2.662 254 Y HA 0.194 4.745 4.550 0.002 0.000 0.334 254 Y C -1.466 174.494 175.900 0.100 0.000 1.185 254 Y CA -1.376 56.780 58.100 0.093 0.000 1.074 254 Y CB 0.823 39.325 38.460 0.070 0.000 1.330 254 Y HN 0.596 nan 8.280 nan 0.000 0.458 255 Q N 0.963 120.886 119.800 0.205 0.000 2.359 255 Q HA 0.862 5.203 4.340 0.002 0.000 0.275 255 Q C -1.800 174.371 176.000 0.285 0.000 1.082 255 Q CA -1.383 54.496 55.803 0.127 0.000 0.849 255 Q CB 3.091 31.914 28.738 0.143 0.000 1.377 255 Q HN 0.596 nan 8.270 nan 0.000 0.452 256 V N 2.544 122.581 119.914 0.205 0.000 2.326 256 V HA 0.406 4.527 4.120 0.002 0.000 0.281 256 V C -0.583 175.619 176.094 0.181 0.000 1.015 256 V CA -0.489 61.947 62.300 0.226 0.000 0.823 256 V CB 0.831 32.768 31.823 0.191 0.000 1.009 256 V HN 0.656 nan 8.190 nan 0.000 0.436 257 I N 3.714 124.429 120.570 0.243 0.000 2.339 257 I HA 0.583 4.754 4.170 0.002 0.000 0.290 257 I C 1.223 177.427 176.117 0.145 0.000 0.994 257 I CA -0.293 61.099 61.300 0.154 0.000 1.191 257 I CB 1.586 39.638 38.000 0.086 0.000 1.343 257 I HN 0.803 nan 8.210 nan 0.000 0.458 258 G N 4.400 113.249 108.800 0.083 0.000 2.305 258 G HA2 -0.154 3.807 3.960 0.002 0.000 0.287 258 G HA3 -0.154 3.807 3.960 0.002 0.000 0.287 258 G C 1.021 175.967 174.900 0.077 0.000 1.036 258 G CA 0.617 45.758 45.100 0.068 0.000 0.887 258 G HN 1.512 nan 8.290 nan 0.000 0.505 259 G N -1.685 107.163 108.800 0.080 0.000 2.184 259 G HA2 -0.264 3.697 3.960 0.002 0.000 0.264 259 G HA3 -0.264 3.697 3.960 0.002 0.000 0.264 259 G C 0.150 175.086 174.900 0.061 0.000 0.975 259 G CA 1.112 46.250 45.100 0.063 0.000 0.642 259 G HN 1.009 nan 8.290 nan 0.000 0.536 260 E N -0.465 119.797 120.200 0.104 0.000 2.191 260 E HA 0.542 4.893 4.350 0.002 0.000 0.274 260 E C -0.145 176.470 176.600 0.024 0.000 0.948 260 E CA -0.900 55.520 56.400 0.033 0.000 0.802 260 E CB 2.442 32.187 29.700 0.075 0.000 1.137 260 E HN 0.051 nan 8.360 nan 0.000 0.397 261 V N 3.886 123.700 119.914 -0.166 0.000 2.455 261 V HA 0.164 4.285 4.120 0.002 0.000 0.273 261 V C -0.835 175.037 176.094 -0.370 0.000 1.045 261 V CA 0.222 62.451 62.300 -0.120 0.000 0.976 261 V CB -0.367 31.329 31.823 -0.211 0.000 0.993 261 V HN 0.557 nan 8.190 nan 0.000 0.475 262 Y N 5.226 125.572 120.300 0.076 0.000 2.634 262 Y HA 0.531 5.081 4.550 0.002 0.000 0.340 262 Y C -2.232 173.731 175.900 0.105 0.000 1.058 262 Y CA -2.595 55.500 58.100 -0.009 0.000 1.081 262 Y CB 2.159 40.603 38.460 -0.026 0.000 1.295 262 Y HN 0.423 nan 8.280 nan 0.000 0.487 263 P HA 0.106 nan 4.420 nan 0.000 0.272 263 P C -2.594 174.935 177.300 0.381 0.000 1.240 263 P CA -1.084 62.174 63.100 0.263 0.000 0.791 263 P CB 0.046 31.867 31.700 0.201 0.000 0.978 264 P HA 0.088 nan 4.420 nan 0.000 0.277 264 P C -0.379 177.030 177.300 0.182 0.000 1.271 264 P CA 0.023 63.234 63.100 0.186 0.000 0.795 264 P CB 0.181 31.948 31.700 0.111 0.000 1.101 265 T N -3.617 110.973 114.554 0.060 0.000 2.912 265 T HA 0.236 4.587 4.350 0.002 0.000 0.280 265 T C 1.374 176.074 174.700 -0.001 0.000 0.989 265 T CA -0.685 61.396 62.100 -0.031 0.000 0.995 265 T CB 0.151 68.929 68.868 -0.149 0.000 1.077 265 T HN 0.048 nan 8.240 nan 0.000 0.531 266 V N 0.944 120.844 119.914 -0.025 0.000 2.626 266 V HA -0.073 4.048 4.120 0.002 0.000 0.252 266 V C 2.727 178.815 176.094 -0.011 0.000 1.067 266 V CA 2.153 64.460 62.300 0.011 0.000 1.081 266 V CB -0.859 30.976 31.823 0.020 0.000 0.686 266 V HN 1.004 nan 8.190 nan 0.000 0.468 267 K N 0.122 120.496 120.400 -0.044 0.000 2.062 267 K HA -0.155 4.166 4.320 0.002 0.000 0.205 267 K C 1.769 178.356 176.600 -0.022 0.000 1.051 267 K CA 1.699 57.962 56.287 -0.040 0.000 0.941 267 K CB -0.182 32.280 32.500 -0.063 0.000 0.719 267 K HN 0.407 nan 8.250 nan 0.000 0.440 268 D N -0.254 120.134 120.400 -0.020 0.000 2.144 268 D HA -0.126 4.515 4.640 0.002 0.000 0.200 268 D C 1.861 178.168 176.300 0.012 0.000 0.978 268 D CA 1.958 55.954 54.000 -0.007 0.000 0.833 268 D CB -0.097 40.700 40.800 -0.005 0.000 0.961 268 D HN 0.542 nan 8.370 nan 0.000 0.470 269 T N -3.173 111.395 114.554 0.024 0.000 3.042 269 T HA 0.055 4.406 4.350 0.002 0.000 0.245 269 T C 0.919 175.641 174.700 0.037 0.000 1.029 269 T CA 0.204 62.328 62.100 0.040 0.000 1.120 269 T CB 0.436 69.338 68.868 0.058 0.000 0.917 269 T HN 0.087 nan 8.240 nan 0.000 0.467 270 Q N 0.172 119.989 119.800 0.029 0.000 2.493 270 Q HA -0.112 4.229 4.340 0.002 0.000 0.260 270 Q C -0.076 175.944 176.000 0.033 0.000 0.873 270 Q CA 0.403 56.221 55.803 0.025 0.000 1.150 270 Q CB -2.656 26.094 28.738 0.020 0.000 1.393 270 Q HN 0.787 nan 8.270 nan 0.000 0.607 271 V N -1.367 118.573 119.914 0.044 0.000 2.498 271 V HA 0.343 4.464 4.120 0.002 0.000 0.279 271 V C 0.583 176.704 176.094 0.045 0.000 1.048 271 V CA -0.474 61.851 62.300 0.042 0.000 0.967 271 V CB 1.487 33.340 31.823 0.050 0.000 0.988 271 V HN 0.162 nan 8.190 nan 0.000 0.473 272 E N 5.814 126.031 120.200 0.028 0.000 2.376 272 E HA 0.275 4.626 4.350 0.002 0.000 0.266 272 E C -0.466 176.153 176.600 0.031 0.000 1.009 272 E CA -0.030 56.386 56.400 0.027 0.000 0.902 272 E CB 0.803 30.506 29.700 0.006 0.000 0.972 272 E HN 0.618 nan 8.360 nan 0.000 0.439 273 M N 2.091 121.729 119.600 0.062 0.000 2.619 273 M HA 0.407 4.888 4.480 0.002 0.000 0.297 273 M C -0.490 175.791 176.300 -0.031 0.000 1.229 273 M CA -0.996 54.321 55.300 0.029 0.000 0.860 273 M CB 1.739 34.452 32.600 0.190 0.000 1.741 273 M HN 0.364 nan 8.290 nan 0.000 0.462 274 I N 2.629 123.090 120.570 -0.181 0.000 2.281 274 I HA 0.247 4.418 4.170 0.002 0.000 0.293 274 I C -1.292 174.637 176.117 -0.314 0.000 1.085 274 I CA -0.033 61.175 61.300 -0.154 0.000 1.257 274 I CB -0.761 37.199 38.000 -0.066 0.000 1.430 274 I HN 0.534 nan 8.210 nan 0.000 0.489 275 Y N 6.550 126.799 120.300 -0.085 0.000 2.421 275 Y HA 0.370 4.921 4.550 0.002 0.000 0.339 275 Y C -1.884 173.813 175.900 -0.339 0.000 0.996 275 Y CA -2.074 55.897 58.100 -0.216 0.000 1.046 275 Y CB 2.095 40.484 38.460 -0.118 0.000 1.226 275 Y HN 0.437 nan 8.280 nan 0.000 0.445 276 P HA 0.043 nan 4.420 nan 0.000 0.268 276 P C -2.302 174.858 177.300 -0.234 0.000 1.208 276 P CA -1.065 61.848 63.100 -0.312 0.000 0.777 276 P CB 0.661 32.138 31.700 -0.371 0.000 0.875 277 P HA -0.209 nan 4.420 nan 0.000 0.217 277 P C 1.334 178.611 177.300 -0.039 0.000 1.151 277 P CA 1.688 64.767 63.100 -0.035 0.000 0.849 277 P CB -0.515 31.202 31.700 0.029 0.000 0.787 278 H N -1.923 117.125 119.070 -0.038 0.000 2.547 278 H HA 0.131 4.688 4.556 0.002 0.000 0.266 278 H C 0.610 175.911 175.328 -0.045 0.000 0.988 278 H CA -0.067 55.961 56.048 -0.033 0.000 1.147 278 H CB -0.843 28.910 29.762 -0.015 0.000 1.365 278 H HN 0.153 nan 8.280 nan 0.000 0.589 279 I N 5.066 125.384 120.570 -0.420 0.000 2.452 279 I HA 0.091 4.262 4.170 0.002 0.000 0.287 279 I C -1.795 174.174 176.117 -0.246 0.000 1.079 279 I CA -1.773 59.330 61.300 -0.329 0.000 1.387 279 I CB 0.965 38.746 38.000 -0.364 0.000 1.404 279 I HN 0.020 nan 8.210 nan 0.000 0.522 280 P HA 0.023 nan 4.420 nan 0.000 0.269 280 P C 0.220 177.361 177.300 -0.265 0.000 1.217 280 P CA -0.038 62.951 63.100 -0.185 0.000 0.783 280 P CB 0.927 32.536 31.700 -0.151 0.000 0.898 281 E N 0.914 120.983 120.200 -0.219 0.000 2.072 281 E HA -0.178 4.173 4.350 0.002 0.000 0.191 281 E C 1.635 178.047 176.600 -0.314 0.000 0.985 281 E CA 1.187 57.442 56.400 -0.242 0.000 0.801 281 E CB -0.270 29.332 29.700 -0.162 0.000 0.750 281 E HN 0.565 nan 8.360 nan 0.000 0.452 282 N N 0.945 119.477 118.700 -0.280 0.000 2.519 282 N HA -0.168 4.573 4.740 0.002 0.000 0.186 282 N C 1.317 176.498 175.510 -0.548 0.000 1.062 282 N CA 0.852 53.709 53.050 -0.323 0.000 0.910 282 N CB -0.086 38.272 38.487 -0.214 0.000 0.958 282 N HN 0.243 nan 8.380 nan 0.000 0.445 283 L N -0.314 120.555 121.223 -0.592 0.000 2.808 283 L HA 0.198 4.539 4.340 0.002 0.000 0.246 283 L C 0.090 176.362 176.870 -0.997 0.000 1.153 283 L CA -0.069 54.295 54.840 -0.793 0.000 0.956 283 L CB 0.214 42.031 42.059 -0.403 0.000 1.270 283 L HN -0.032 nan 8.230 nan 0.000 0.528 284 Q N 0.947 120.187 119.800 -0.934 0.000 2.673 284 Q HA 0.279 4.620 4.340 0.002 0.000 0.224 284 Q C -0.863 174.866 176.000 -0.453 0.000 1.226 284 Q CA -0.351 54.849 55.803 -1.004 0.000 1.019 284 Q CB 0.272 28.580 28.738 -0.717 0.000 1.312 284 Q HN 0.135 nan 8.270 nan 0.000 0.566 285 F N 1.075 121.021 119.950 -0.006 0.000 2.459 285 F HA 0.274 4.802 4.527 0.002 0.000 0.346 285 F C 0.838 176.762 175.800 0.206 0.000 1.128 285 F CA -0.674 57.397 58.000 0.119 0.000 1.268 285 F CB 0.675 39.760 39.000 0.141 0.000 1.161 285 F HN 0.348 nan 8.300 nan 0.000 0.583 286 A N 3.305 126.318 122.820 0.322 0.000 2.249 286 A HA 0.719 5.040 4.320 0.002 0.000 0.314 286 A C -0.593 177.105 177.584 0.189 0.000 1.290 286 A CA -0.499 51.668 52.037 0.217 0.000 0.893 286 A CB 0.328 19.413 19.000 0.142 0.000 1.165 286 A HN 0.739 nan 8.150 nan 0.000 0.530 287 V N 0.101 120.105 119.914 0.149 0.000 3.167 287 V HA 0.871 4.992 4.120 0.002 0.000 0.310 287 V C 1.162 177.262 176.094 0.009 0.000 1.207 287 V CA -0.074 62.286 62.300 0.099 0.000 1.059 287 V CB 0.982 32.907 31.823 0.170 0.000 1.079 287 V HN 0.984 nan 8.190 nan 0.000 0.446 288 G N -0.661 108.111 108.800 -0.045 0.000 2.476 288 G HA2 -0.129 3.832 3.960 0.002 0.000 0.218 288 G HA3 -0.129 3.832 3.960 0.002 0.000 0.218 288 G C 0.722 175.511 174.900 -0.184 0.000 1.164 288 G CA 0.860 45.899 45.100 -0.102 0.000 0.768 288 G HN 0.699 nan 8.290 nan 0.000 0.560 289 Q N 0.688 120.271 119.800 -0.361 0.000 2.331 289 Q HA 0.203 4.544 4.340 0.002 0.000 0.257 289 Q C 0.729 176.456 176.000 -0.455 0.000 0.957 289 Q CA -0.162 55.275 55.803 -0.610 0.000 0.923 289 Q CB 1.431 29.317 28.738 -1.421 0.000 1.212 289 Q HN 0.636 nan 8.270 nan 0.000 0.443 290 E N 1.646 121.685 120.200 -0.269 0.000 2.510 290 E HA -0.091 4.260 4.350 0.002 0.000 0.202 290 E C 1.053 177.554 176.600 -0.165 0.000 1.072 290 E CA 0.305 56.609 56.400 -0.161 0.000 0.883 290 E CB 0.088 29.725 29.700 -0.104 0.000 0.818 290 E HN 0.217 nan 8.360 nan 0.000 0.548 291 V N -0.193 119.595 119.914 -0.210 0.000 3.661 291 V HA 0.025 4.146 4.120 0.002 0.000 0.271 291 V C 0.479 176.633 176.094 0.099 0.000 1.315 291 V CA 0.076 62.334 62.300 -0.070 0.000 1.072 291 V CB -0.273 31.523 31.823 -0.044 0.000 0.830 291 V HN 0.220 nan 8.190 nan 0.000 0.443 292 F N 1.232 121.158 119.950 -0.042 0.000 2.583 292 F HA 0.091 4.619 4.527 0.002 0.000 0.297 292 F C 2.178 177.960 175.800 -0.030 0.000 1.131 292 F CA 0.772 58.772 58.000 -0.002 0.000 1.467 292 F CB -1.323 37.715 39.000 0.063 0.000 1.097 292 F HN 0.292 nan 8.300 nan 0.000 0.586 293 G N -0.426 108.413 108.800 0.064 0.000 2.813 293 G HA2 -0.057 3.904 3.960 0.002 0.000 0.209 293 G HA3 -0.057 3.904 3.960 0.002 0.000 0.209 293 G C 1.723 176.573 174.900 -0.084 0.000 1.150 293 G CA 0.199 45.323 45.100 0.040 0.000 0.785 293 G HN 0.441 nan 8.290 nan 0.000 0.535 294 L N 0.460 121.506 121.223 -0.295 0.000 2.275 294 L HA 0.223 4.563 4.340 0.002 0.000 0.215 294 L C -0.135 176.367 176.870 -0.613 0.000 1.119 294 L CA 0.980 55.239 54.840 -0.970 0.000 0.790 294 L CB 0.253 41.994 42.059 -0.531 0.000 0.919 294 L HN -0.036 nan 8.230 nan 0.000 0.443 295 V N -1.900 117.852 119.914 -0.271 0.000 2.733 295 V HA 0.357 4.478 4.120 0.002 0.000 0.306 295 V C -1.926 173.992 176.094 -0.295 0.000 1.084 295 V CA -1.170 60.984 62.300 -0.243 0.000 0.905 295 V CB 1.313 33.154 31.823 0.031 0.000 1.010 295 V HN -0.178 nan 8.190 nan 0.000 0.424 296 P HA -0.030 nan 4.420 nan 0.000 0.222 296 P C 1.566 178.631 177.300 -0.391 0.000 1.147 296 P CA 1.383 64.193 63.100 -0.482 0.000 0.790 296 P CB 0.287 31.616 31.700 -0.618 0.000 0.780 297 G N -0.618 107.913 108.800 -0.449 0.000 2.443 297 G HA2 -0.177 3.784 3.960 0.002 0.000 0.219 297 G HA3 -0.177 3.784 3.960 0.002 0.000 0.219 297 G C 1.267 175.976 174.900 -0.319 0.000 1.131 297 G CA 0.413 45.047 45.100 -0.776 0.000 0.775 297 G HN 0.151 nan 8.290 nan 0.000 0.547 298 L N -0.347 120.802 121.223 -0.124 0.000 2.127 298 L HA 0.297 4.638 4.340 0.002 0.000 0.203 298 L C 2.599 179.352 176.870 -0.195 0.000 1.080 298 L CA 1.075 55.840 54.840 -0.125 0.000 0.768 298 L CB -0.743 41.208 42.059 -0.180 0.000 0.924 298 L HN 0.194 nan 8.230 nan 0.000 0.444 299 M N -1.167 118.336 119.600 -0.161 0.000 2.358 299 M HA -0.198 4.283 4.480 0.002 0.000 0.264 299 M C 2.086 178.234 176.300 -0.253 0.000 1.064 299 M CA 1.454 56.663 55.300 -0.151 0.000 1.093 299 M CB -0.458 32.043 32.600 -0.165 0.000 1.401 299 M HN 0.270 nan 8.290 nan 0.000 0.440 300 M N -1.595 117.802 119.600 -0.339 0.000 2.099 300 M HA -0.225 4.256 4.480 0.002 0.000 0.262 300 M C 1.510 177.589 176.300 -0.369 0.000 1.067 300 M CA 1.818 56.864 55.300 -0.423 0.000 1.124 300 M CB -0.344 31.959 32.600 -0.497 0.000 1.353 300 M HN 0.251 nan 8.290 nan 0.000 0.410 301 Y N 0.445 120.563 120.300 -0.302 0.000 2.263 301 Y HA -0.005 4.546 4.550 0.002 0.000 0.292 301 Y C 2.698 178.421 175.900 -0.296 0.000 1.130 301 Y CA 1.399 59.259 58.100 -0.400 0.000 1.179 301 Y CB -1.014 36.976 38.460 -0.784 0.000 0.998 301 Y HN 0.382 nan 8.280 nan 0.000 0.532 302 A N -0.676 122.101 122.820 -0.071 0.000 1.908 302 A HA -0.221 4.100 4.320 0.002 0.000 0.218 302 A C 2.301 179.908 177.584 0.038 0.000 1.181 302 A CA 2.432 54.542 52.037 0.121 0.000 0.627 302 A CB -1.200 17.906 19.000 0.177 0.000 0.818 302 A HN 0.408 nan 8.150 nan 0.000 0.445 303 T N 0.019 114.517 114.554 -0.093 0.000 2.821 303 T HA -0.025 4.326 4.350 0.002 0.000 0.267 303 T C 1.779 176.380 174.700 -0.166 0.000 1.046 303 T CA 1.347 63.346 62.100 -0.168 0.000 1.139 303 T CB -0.339 68.347 68.868 -0.304 0.000 0.871 303 T HN 0.426 nan 8.240 nan 0.000 0.454 304 I N -0.762 119.703 120.570 -0.175 0.000 2.202 304 I HA -0.142 4.029 4.170 0.002 0.000 0.242 304 I C 2.151 178.171 176.117 -0.163 0.000 1.091 304 I CA 1.386 62.553 61.300 -0.223 0.000 1.368 304 I CB -0.220 37.603 38.000 -0.296 0.000 1.058 304 I HN 0.336 nan 8.210 nan 0.000 0.410 305 W N 0.489 121.765 121.300 -0.040 0.000 2.418 305 W HA -0.096 4.565 4.660 0.002 0.000 0.292 305 W C 2.432 178.934 176.519 -0.027 0.000 1.213 305 W CA 0.454 57.791 57.345 -0.014 0.000 1.283 305 W CB -0.218 29.229 29.460 -0.022 0.000 1.119 305 W HN 0.091 nan 8.180 nan 0.000 0.542 306 L N 0.667 121.981 121.223 0.152 0.000 2.012 306 L HA -0.238 4.103 4.340 0.002 0.000 0.210 306 L C 2.569 179.484 176.870 0.074 0.000 1.073 306 L CA 1.723 56.611 54.840 0.081 0.000 0.748 306 L CB -0.329 41.749 42.059 0.032 0.000 0.891 306 L HN -0.089 nan 8.230 nan 0.000 0.431 307 R N -0.225 120.263 120.500 -0.020 0.000 2.083 307 R HA -0.247 4.094 4.340 0.002 0.000 0.237 307 R C 2.227 178.515 176.300 -0.021 0.000 1.137 307 R CA 1.792 57.841 56.100 -0.085 0.000 0.951 307 R CB -0.299 29.904 30.300 -0.162 0.000 0.851 307 R HN 0.373 nan 8.270 nan 0.000 0.434 308 E N -0.511 119.699 120.200 0.017 0.000 2.153 308 E HA -0.235 4.116 4.350 0.002 0.000 0.194 308 E C 1.641 178.332 176.600 0.152 0.000 0.988 308 E CA 1.691 58.124 56.400 0.055 0.000 0.811 308 E CB -0.151 29.576 29.700 0.045 0.000 0.746 308 E HN 0.476 nan 8.360 nan 0.000 0.466 309 H N -0.487 118.666 119.070 0.138 0.000 2.293 309 H HA -0.066 4.491 4.556 0.002 0.000 0.300 309 H C 1.965 177.361 175.328 0.115 0.000 1.082 309 H CA 2.235 58.382 56.048 0.166 0.000 1.308 309 H CB -0.056 29.826 29.762 0.200 0.000 1.375 309 H HN 0.088 nan 8.280 nan 0.000 0.495 310 Q N 0.282 120.170 119.800 0.147 0.000 2.096 310 Q HA -0.126 4.215 4.340 0.002 0.000 0.204 310 Q C 2.498 178.488 176.000 -0.016 0.000 0.982 310 Q CA 1.578 57.411 55.803 0.051 0.000 0.850 310 Q CB -0.224 28.499 28.738 -0.024 0.000 0.901 310 Q HN 0.377 nan 8.270 nan 0.000 0.422 311 R N -0.594 119.894 120.500 -0.021 0.000 2.080 311 R HA -0.146 4.195 4.340 0.002 0.000 0.236 311 R C 2.002 178.292 176.300 -0.018 0.000 1.137 311 R CA 1.761 57.844 56.100 -0.029 0.000 0.943 311 R CB -0.410 29.871 30.300 -0.031 0.000 0.846 311 R HN 0.194 nan 8.270 nan 0.000 0.431 312 V N 0.215 120.120 119.914 -0.015 0.000 2.407 312 V HA -0.325 3.796 4.120 0.002 0.000 0.248 312 V C 2.537 178.621 176.094 -0.018 0.000 1.055 312 V CA 1.652 63.949 62.300 -0.005 0.000 1.049 312 V CB -0.468 31.361 31.823 0.011 0.000 0.662 312 V HN 0.546 nan 8.190 nan 0.000 0.455 313 C N -0.046 119.213 119.300 -0.068 0.000 2.429 313 C HA -0.163 4.298 4.460 0.002 0.000 0.277 313 C C 2.534 177.544 174.990 0.034 0.000 1.262 313 C CA 1.078 60.085 59.018 -0.018 0.000 1.733 313 C CB -1.010 26.721 27.740 -0.015 0.000 2.010 313 C HN 0.603 nan 8.230 nan 0.000 0.483 314 D N 0.623 121.032 120.400 0.016 0.000 2.117 314 D HA -0.065 4.576 4.640 0.002 0.000 0.197 314 D C 1.918 178.220 176.300 0.004 0.000 0.987 314 D CA 1.114 55.123 54.000 0.015 0.000 0.829 314 D CB -0.368 40.432 40.800 -0.000 0.000 0.961 314 D HN 0.460 nan 8.370 nan 0.000 0.460 315 I N 0.414 120.983 120.570 -0.001 0.000 2.226 315 I HA -0.223 3.948 4.170 0.002 0.000 0.245 315 I C 2.381 178.484 176.117 -0.023 0.000 1.100 315 I CA 0.690 61.982 61.300 -0.013 0.000 1.374 315 I CB -0.069 37.930 38.000 -0.002 0.000 1.057 315 I HN -0.022 nan 8.210 nan 0.000 0.413 316 L N 0.441 121.675 121.223 0.019 0.000 2.093 316 L HA -0.202 4.139 4.340 0.002 0.000 0.208 316 L C 2.579 179.438 176.870 -0.020 0.000 1.085 316 L CA 1.218 56.076 54.840 0.029 0.000 0.755 316 L CB -0.486 41.682 42.059 0.181 0.000 0.904 316 L HN 0.214 nan 8.230 nan 0.000 0.435 317 K N 0.227 120.648 120.400 0.035 0.000 2.097 317 K HA -0.268 4.053 4.320 0.002 0.000 0.206 317 K C 2.170 178.745 176.600 -0.041 0.000 1.049 317 K CA 1.511 57.821 56.287 0.038 0.000 0.933 317 K CB -0.019 32.519 32.500 0.065 0.000 0.717 317 K HN 0.221 nan 8.250 nan 0.000 0.442 318 Q N -0.008 119.754 119.800 -0.064 0.000 2.124 318 Q HA -0.161 4.180 4.340 0.002 0.000 0.202 318 Q C 1.503 177.397 176.000 -0.177 0.000 0.977 318 Q CA 1.443 57.191 55.803 -0.091 0.000 0.850 318 Q CB 0.213 28.906 28.738 -0.074 0.000 0.901 318 Q HN 0.308 nan 8.270 nan 0.000 0.429 319 E N -0.498 119.534 120.200 -0.281 0.000 2.216 319 E HA -0.059 4.292 4.350 0.002 0.000 0.192 319 E C 0.149 176.262 176.600 -0.812 0.000 0.988 319 E CA 0.793 56.880 56.400 -0.522 0.000 0.834 319 E CB 0.312 29.633 29.700 -0.632 0.000 0.772 319 E HN 0.404 nan 8.360 nan 0.000 0.479 320 H N 0.226 119.042 119.070 -0.423 0.000 2.348 320 H HA 0.170 4.727 4.556 0.002 0.000 0.232 320 H C -1.793 173.376 175.328 -0.266 0.000 1.419 320 H CA -1.719 53.973 56.048 -0.594 0.000 1.416 320 H CB 1.037 29.858 29.762 -1.570 0.000 1.510 320 H HN 0.008 nan 8.280 nan 0.000 0.507 321 P HA -0.126 nan 4.420 nan 0.000 0.228 321 P C 0.576 177.920 177.300 0.074 0.000 1.151 321 P CA 0.942 64.048 63.100 0.011 0.000 0.770 321 P CB 0.391 32.084 31.700 -0.012 0.000 0.786 322 E N -2.680 117.574 120.200 0.089 0.000 2.474 322 E HA -0.001 4.350 4.350 0.002 0.000 0.194 322 E C 0.488 177.282 176.600 0.324 0.000 1.041 322 E CA -0.034 56.466 56.400 0.166 0.000 0.874 322 E CB -0.471 29.321 29.700 0.154 0.000 0.914 322 E HN 0.175 nan 8.360 nan 0.000 0.498 323 W N 1.527 122.876 121.300 0.083 0.000 2.183 323 W HA 0.623 5.284 4.660 0.002 0.000 0.348 323 W C 1.036 177.590 176.519 0.058 0.000 1.257 323 W CA -0.913 56.463 57.345 0.051 0.000 1.324 323 W CB 0.531 30.019 29.460 0.047 0.000 1.144 323 W HN 0.009 nan 8.180 nan 0.000 0.622 324 G N 0.149 109.093 108.800 0.239 0.000 2.705 324 G HA2 0.188 4.149 3.960 0.002 0.000 0.299 324 G HA3 0.188 4.149 3.960 0.002 0.000 0.299 324 G C 0.112 175.110 174.900 0.163 0.000 1.315 324 G CA -0.244 44.951 45.100 0.158 0.000 1.045 324 G HN 0.414 nan 8.290 nan 0.000 0.517 325 D N -0.886 119.605 120.400 0.152 0.000 2.092 325 D HA -0.156 4.485 4.640 0.002 0.000 0.193 325 D C 2.077 178.483 176.300 0.177 0.000 0.994 325 D CA 1.551 55.655 54.000 0.174 0.000 0.828 325 D CB 0.167 41.078 40.800 0.184 0.000 0.963 325 D HN 0.273 nan 8.370 nan 0.000 0.450 326 E N 0.201 120.482 120.200 0.135 0.000 2.033 326 E HA -0.260 4.091 4.350 0.002 0.000 0.199 326 E C 2.080 178.742 176.600 0.103 0.000 1.011 326 E CA 1.138 57.616 56.400 0.129 0.000 0.815 326 E CB -0.544 29.197 29.700 0.070 0.000 0.755 326 E HN 0.523 nan 8.360 nan 0.000 0.451 327 Q N -0.038 119.730 119.800 -0.053 0.000 2.124 327 Q HA -0.100 4.241 4.340 0.002 0.000 0.202 327 Q C 2.477 178.410 176.000 -0.111 0.000 0.977 327 Q CA 0.880 56.522 55.803 -0.268 0.000 0.850 327 Q CB -0.031 28.260 28.738 -0.745 0.000 0.901 327 Q HN 0.234 nan 8.270 nan 0.000 0.429 328 L N -0.389 120.908 121.223 0.123 0.000 2.017 328 L HA -0.169 4.172 4.340 0.002 0.000 0.208 328 L C 2.281 179.259 176.870 0.179 0.000 1.073 328 L CA 1.294 56.293 54.840 0.265 0.000 0.745 328 L CB -0.559 41.669 42.059 0.281 0.000 0.894 328 L HN 0.320 nan 8.230 nan 0.000 0.432 329 F N 0.720 120.725 119.950 0.093 0.000 2.046 329 F HA -0.281 4.247 4.527 0.002 0.000 0.297 329 F C 2.785 178.636 175.800 0.085 0.000 1.123 329 F CA 1.663 59.743 58.000 0.133 0.000 1.199 329 F CB -0.317 38.735 39.000 0.087 0.000 0.972 329 F HN 0.042 nan 8.300 nan 0.000 0.474 330 Q N 0.024 119.847 119.800 0.038 0.000 2.096 330 Q HA -0.173 4.168 4.340 0.002 0.000 0.204 330 Q C 2.205 178.123 176.000 -0.136 0.000 0.982 330 Q CA 2.363 58.108 55.803 -0.096 0.000 0.850 330 Q CB -1.285 27.477 28.738 0.039 0.000 0.901 330 Q HN 0.469 nan 8.270 nan 0.000 0.422 331 T N 0.737 115.254 114.554 -0.062 0.000 2.904 331 T HA -0.041 4.310 4.350 0.002 0.000 0.267 331 T C 2.160 176.914 174.700 0.089 0.000 1.059 331 T CA 1.204 63.331 62.100 0.045 0.000 1.137 331 T CB -0.072 68.892 68.868 0.160 0.000 0.879 331 T HN 0.191 nan 8.240 nan 0.000 0.467 332 S N 1.134 116.824 115.700 -0.016 0.000 2.368 332 S HA -0.070 4.401 4.470 0.002 0.000 0.224 332 S C 2.011 176.616 174.600 0.009 0.000 1.029 332 S CA 1.071 59.239 58.200 -0.054 0.000 0.988 332 S CB -0.203 62.778 63.200 -0.365 0.000 0.838 332 S HN 0.551 nan 8.310 nan 0.000 0.462 333 K N 1.286 121.579 120.400 -0.177 0.000 2.097 333 K HA -0.004 4.317 4.320 0.002 0.000 0.206 333 K C 1.957 178.579 176.600 0.036 0.000 1.049 333 K CA 0.992 57.148 56.287 -0.218 0.000 0.933 333 K CB -0.238 31.762 32.500 -0.833 0.000 0.717 333 K HN 0.275 nan 8.250 nan 0.000 0.442 334 L N 0.787 122.065 121.223 0.092 0.000 2.093 334 L HA -0.153 4.188 4.340 0.002 0.000 0.208 334 L C 2.391 179.518 176.870 0.429 0.000 1.085 334 L CA 1.078 56.090 54.840 0.286 0.000 0.755 334 L CB -0.289 41.957 42.059 0.312 0.000 0.904 334 L HN 0.282 nan 8.230 nan 0.000 0.435 335 I N -0.732 120.061 120.570 0.372 0.000 2.286 335 I HA -0.285 3.886 4.170 0.002 0.000 0.245 335 I C 2.313 178.588 176.117 0.264 0.000 1.104 335 I CA 0.946 62.427 61.300 0.302 0.000 1.397 335 I CB -0.058 38.094 38.000 0.252 0.000 1.072 335 I HN 0.189 nan 8.210 nan 0.000 0.417 336 L N 0.373 121.765 121.223 0.282 0.000 2.141 336 L HA -0.150 4.191 4.340 0.002 0.000 0.209 336 L C 2.287 179.286 176.870 0.216 0.000 1.094 336 L CA 1.653 56.685 54.840 0.320 0.000 0.763 336 L CB -0.451 41.829 42.059 0.368 0.000 0.908 336 L HN 0.152 nan 8.230 nan 0.000 0.437 337 I N -1.044 119.655 120.570 0.214 0.000 2.179 337 I HA -0.248 3.923 4.170 0.002 0.000 0.242 337 I C 2.460 178.692 176.117 0.192 0.000 1.088 337 I CA 1.474 62.882 61.300 0.180 0.000 1.357 337 I CB -0.896 37.229 38.000 0.208 0.000 1.051 337 I HN 0.350 nan 8.210 nan 0.000 0.409 338 G N 0.094 109.051 108.800 0.261 0.000 2.422 338 G HA2 -0.206 3.755 3.960 0.002 0.000 0.218 338 G HA3 -0.206 3.755 3.960 0.002 0.000 0.218 338 G C 1.527 176.548 174.900 0.201 0.000 1.146 338 G CA 0.449 45.716 45.100 0.278 0.000 0.769 338 G HN 0.395 nan 8.290 nan 0.000 0.547 339 E N -0.073 120.267 120.200 0.234 0.000 2.077 339 E HA -0.103 4.248 4.350 0.002 0.000 0.193 339 E C 2.787 179.568 176.600 0.301 0.000 0.989 339 E CA 1.419 57.986 56.400 0.279 0.000 0.800 339 E CB -0.190 29.749 29.700 0.398 0.000 0.746 339 E HN 0.337 nan 8.360 nan 0.000 0.452 340 T N 1.431 116.152 114.554 0.278 0.000 2.708 340 T HA -0.145 4.206 4.350 0.002 0.000 0.266 340 T C 1.994 176.727 174.700 0.054 0.000 1.037 340 T CA 0.989 63.217 62.100 0.215 0.000 1.146 340 T CB -0.190 68.698 68.868 0.034 0.000 0.865 340 T HN 0.104 nan 8.240 nan 0.000 0.435 341 I N 0.786 121.310 120.570 -0.076 0.000 2.252 341 I HA -0.157 4.014 4.170 0.002 0.000 0.245 341 I C 2.523 178.331 176.117 -0.516 0.000 1.102 341 I CA 1.112 62.212 61.300 -0.334 0.000 1.385 341 I CB -0.248 37.419 38.000 -0.556 0.000 1.064 341 I HN 0.138 nan 8.210 nan 0.000 0.414 342 K N 1.856 121.997 120.400 -0.432 0.000 2.009 342 K HA -0.171 4.150 4.320 0.002 0.000 0.210 342 K C 1.871 178.460 176.600 -0.018 0.000 1.049 342 K CA 1.888 58.076 56.287 -0.166 0.000 0.929 342 K CB -0.458 32.122 32.500 0.134 0.000 0.714 342 K HN 0.234 nan 8.250 nan 0.000 0.440 343 I N 0.124 120.726 120.570 0.052 0.000 2.226 343 I HA -0.248 3.923 4.170 0.002 0.000 0.245 343 I C 2.079 178.232 176.117 0.059 0.000 1.100 343 I CA 0.953 62.308 61.300 0.092 0.000 1.374 343 I CB -0.181 37.939 38.000 0.199 0.000 1.057 343 I HN -0.013 nan 8.210 nan 0.000 0.413 344 V N 0.927 120.822 119.914 -0.033 0.000 2.469 344 V HA -0.274 3.847 4.120 0.002 0.000 0.251 344 V C 2.168 178.306 176.094 0.073 0.000 1.064 344 V CA 1.845 64.082 62.300 -0.105 0.000 1.066 344 V CB -0.352 31.243 31.823 -0.380 0.000 0.667 344 V HN 0.343 nan 8.190 nan 0.000 0.461 345 I N -0.639 119.946 120.570 0.026 0.000 2.296 345 I HA -0.094 4.077 4.170 0.002 0.000 0.242 345 I C 2.414 178.591 176.117 0.100 0.000 1.087 345 I CA 1.141 62.488 61.300 0.079 0.000 1.393 345 I CB -0.269 37.763 38.000 0.053 0.000 1.093 345 I HN 0.271 nan 8.210 nan 0.000 0.421 346 E N 0.420 120.671 120.200 0.086 0.000 2.358 346 E HA -0.124 4.227 4.350 0.002 0.000 0.195 346 E C 0.869 177.522 176.600 0.088 0.000 1.010 346 E CA 0.750 57.193 56.400 0.071 0.000 0.856 346 E CB 0.208 29.947 29.700 0.066 0.000 0.795 346 E HN 0.505 nan 8.360 nan 0.000 0.504 347 D N -0.617 119.873 120.400 0.149 0.000 3.105 347 D HA -0.033 4.608 4.640 0.002 0.000 0.291 347 D C 1.599 178.178 176.300 0.465 0.000 1.218 347 D CA 0.158 54.293 54.000 0.226 0.000 1.029 347 D CB -0.445 40.436 40.800 0.134 0.000 1.207 347 D HN 0.017 nan 8.370 nan 0.000 0.437 348 Y N 2.493 122.975 120.300 0.304 0.000 2.036 348 Y HA -0.242 4.309 4.550 0.002 0.000 0.273 348 Y C 2.310 178.329 175.900 0.198 0.000 1.135 348 Y CA 1.689 59.854 58.100 0.108 0.000 1.106 348 Y CB -0.489 37.853 38.460 -0.197 0.000 0.976 348 Y HN -0.247 nan 8.280 nan 0.000 0.483 349 V N 0.511 120.636 119.914 0.353 0.000 2.343 349 V HA -0.326 3.795 4.120 0.002 0.000 0.247 349 V C 2.303 178.417 176.094 0.033 0.000 1.051 349 V CA 2.078 64.498 62.300 0.200 0.000 1.036 349 V CB -0.929 31.031 31.823 0.228 0.000 0.654 349 V HN 0.441 nan 8.190 nan 0.000 0.451 350 Q N 0.511 120.351 119.800 0.066 0.000 2.062 350 Q HA -0.298 4.043 4.340 0.002 0.000 0.209 350 Q C 2.129 178.086 176.000 -0.072 0.000 0.996 350 Q CA 2.760 58.556 55.803 -0.012 0.000 0.859 350 Q CB -0.657 28.104 28.738 0.039 0.000 0.920 350 Q HN 0.838 nan 8.270 nan 0.000 0.415 351 H N -0.823 118.205 119.070 -0.069 0.000 2.267 351 H HA -0.138 4.419 4.556 0.002 0.000 0.297 351 H C 1.615 176.760 175.328 -0.305 0.000 1.080 351 H CA 2.006 57.966 56.048 -0.146 0.000 1.278 351 H CB -0.588 29.139 29.762 -0.059 0.000 1.365 351 H HN 0.322 nan 8.280 nan 0.000 0.489 352 L N 0.756 121.688 121.223 -0.486 0.000 2.043 352 L HA -0.223 4.118 4.340 0.002 0.000 0.212 352 L C 2.880 179.440 176.870 -0.517 0.000 1.075 352 L CA 2.153 56.641 54.840 -0.586 0.000 0.752 352 L CB -1.484 40.421 42.059 -0.256 0.000 0.891 352 L HN 0.641 nan 8.230 nan 0.000 0.432 353 S N -0.896 114.514 115.700 -0.484 0.000 2.368 353 S HA -0.041 4.430 4.470 0.002 0.000 0.225 353 S C 1.794 175.992 174.600 -0.670 0.000 1.030 353 S CA 1.236 58.981 58.200 -0.759 0.000 0.999 353 S CB -0.658 61.767 63.200 -1.291 0.000 0.844 353 S HN 0.681 nan 8.310 nan 0.000 0.459 354 G N -0.436 108.056 108.800 -0.514 0.000 2.159 354 G HA2 -0.230 3.731 3.960 0.002 0.000 0.256 354 G HA3 -0.230 3.731 3.960 0.002 0.000 0.256 354 G C -0.102 174.618 174.900 -0.301 0.000 0.977 354 G CA 0.331 45.209 45.100 -0.370 0.000 0.652 354 G HN 0.533 nan 8.290 nan 0.000 0.531 355 Y N -0.100 120.004 120.300 -0.326 0.000 2.379 355 Y HA 0.444 4.995 4.550 0.002 0.000 0.337 355 Y C 1.701 177.362 175.900 -0.399 0.000 1.238 355 Y CA -0.168 57.690 58.100 -0.403 0.000 1.405 355 Y CB 0.311 38.617 38.460 -0.257 0.000 1.310 355 Y HN 0.294 nan 8.280 nan 0.000 0.569 356 H N 0.455 119.405 119.070 -0.200 0.000 2.544 356 H HA 0.028 4.585 4.556 0.002 0.000 0.269 356 H C -0.053 175.167 175.328 -0.180 0.000 0.970 356 H CA -0.222 55.731 56.048 -0.159 0.000 1.219 356 H CB 0.265 29.996 29.762 -0.053 0.000 1.421 356 H HN 0.393 nan 8.280 nan 0.000 0.555 357 F N 2.602 122.235 119.950 -0.528 0.000 2.495 357 F HA 0.152 4.680 4.527 0.002 0.000 0.365 357 F C 0.123 175.859 175.800 -0.106 0.000 1.090 357 F CA -0.760 56.977 58.000 -0.438 0.000 1.235 357 F CB 0.506 38.969 39.000 -0.895 0.000 1.119 357 F HN -0.255 nan 8.300 nan 0.000 0.562 358 K N 7.778 127.685 120.400 -0.821 0.000 2.262 358 K HA 0.240 4.561 4.320 0.002 0.000 0.288 358 K C -0.316 175.735 176.600 -0.916 0.000 1.090 358 K CA -0.304 55.605 56.287 -0.630 0.000 0.918 358 K CB 0.232 32.535 32.500 -0.329 0.000 1.139 358 K HN 0.670 nan 8.250 nan 0.000 0.462 359 L N 3.063 123.985 121.223 -0.503 0.000 2.506 359 L HA 0.023 4.364 4.340 0.002 0.000 0.281 359 L C 0.504 177.295 176.870 -0.131 0.000 1.228 359 L CA 0.725 55.431 54.840 -0.224 0.000 0.850 359 L CB 0.157 42.217 42.059 0.002 0.000 1.110 359 L HN 0.519 nan 8.230 nan 0.000 0.496 360 K N 2.404 122.798 120.400 -0.010 0.000 2.464 360 K HA 0.318 4.639 4.320 0.002 0.000 0.253 360 K C -1.448 175.228 176.600 0.126 0.000 0.933 360 K CA -0.733 55.577 56.287 0.037 0.000 0.801 360 K CB 1.758 34.263 32.500 0.009 0.000 1.271 360 K HN 0.280 nan 8.250 nan 0.000 0.430 361 F N 4.447 124.375 119.950 -0.036 0.000 2.335 361 F HA 0.342 4.870 4.527 0.002 0.000 0.365 361 F C -1.007 174.729 175.800 -0.107 0.000 1.122 361 F CA -0.868 57.092 58.000 -0.066 0.000 1.151 361 F CB 0.515 39.492 39.000 -0.038 0.000 1.282 361 F HN 0.479 nan 8.300 nan 0.000 0.513 362 D N 8.509 128.653 120.400 -0.427 0.000 2.328 362 D HA 0.320 4.961 4.640 0.002 0.000 0.243 362 D C -2.259 173.644 176.300 -0.662 0.000 1.324 362 D CA -1.954 51.706 54.000 -0.566 0.000 0.966 362 D CB 1.942 42.587 40.800 -0.258 0.000 1.324 362 D HN 0.167 nan 8.370 nan 0.000 0.549 363 P HA -0.139 nan 4.420 nan 0.000 0.217 363 P C 1.032 177.691 177.300 -1.070 0.000 1.148 363 P CA 0.973 63.527 63.100 -0.910 0.000 0.828 363 P CB 0.390 31.335 31.700 -1.258 0.000 0.783 364 E N -0.360 119.152 120.200 -1.147 0.000 2.209 364 E HA -0.155 4.196 4.350 0.002 0.000 0.196 364 E C 1.950 178.148 176.600 -0.670 0.000 0.993 364 E CA 0.886 56.517 56.400 -1.281 0.000 0.819 364 E CB -0.688 28.740 29.700 -0.453 0.000 0.745 364 E HN 0.365 nan 8.360 nan 0.000 0.477 365 L N 0.383 121.347 121.223 -0.432 0.000 2.265 365 L HA -0.161 4.180 4.340 0.002 0.000 0.215 365 L C 2.263 179.031 176.870 -0.172 0.000 1.117 365 L CA 0.796 55.500 54.840 -0.227 0.000 0.782 365 L CB -0.258 41.695 42.059 -0.177 0.000 0.914 365 L HN 0.141 nan 8.230 nan 0.000 0.441 366 L N -2.175 118.915 121.223 -0.223 0.000 2.554 366 L HA 0.030 4.371 4.340 0.002 0.000 0.225 366 L C 2.175 179.179 176.870 0.224 0.000 1.104 366 L CA 0.087 54.885 54.840 -0.070 0.000 0.866 366 L CB -0.199 41.722 42.059 -0.230 0.000 1.047 366 L HN 0.160 nan 8.230 nan 0.000 0.468 367 F N 1.859 121.864 119.950 0.092 0.000 2.192 367 F HA -0.254 4.274 4.527 0.002 0.000 0.301 367 F C 1.832 177.705 175.800 0.122 0.000 1.079 367 F CA 0.952 59.036 58.000 0.141 0.000 1.303 367 F CB -0.201 38.876 39.000 0.128 0.000 1.024 367 F HN 0.459 nan 8.300 nan 0.000 0.494 368 N N -0.691 118.173 118.700 0.274 0.000 2.268 368 N HA 0.043 4.784 4.740 0.002 0.000 0.204 368 N C -0.150 175.447 175.510 0.145 0.000 1.124 368 N CA 0.035 53.196 53.050 0.184 0.000 0.838 368 N CB -0.111 38.462 38.487 0.143 0.000 0.994 368 N HN 0.176 nan 8.380 nan 0.000 0.489 369 Q N 0.384 120.279 119.800 0.158 0.000 2.248 369 Q HA 0.364 4.705 4.340 0.002 0.000 0.263 369 Q C -0.754 175.342 176.000 0.160 0.000 1.007 369 Q CA -0.466 55.415 55.803 0.130 0.000 0.877 369 Q CB 1.374 30.170 28.738 0.096 0.000 1.315 369 Q HN 0.225 nan 8.270 nan 0.000 0.454 370 Q N 1.496 121.377 119.800 0.135 0.000 2.314 370 Q HA 0.455 4.796 4.340 0.002 0.000 0.257 370 Q C -1.242 174.858 176.000 0.166 0.000 0.975 370 Q CA -0.014 55.862 55.803 0.122 0.000 0.933 370 Q CB 0.605 29.389 28.738 0.076 0.000 1.195 370 Q HN 0.462 nan 8.270 nan 0.000 0.426 371 F N 1.608 121.513 119.950 -0.074 0.000 2.615 371 F HA 0.201 4.729 4.527 0.002 0.000 0.312 371 F C -1.449 174.169 175.800 -0.305 0.000 1.119 371 F CA -0.850 57.033 58.000 -0.196 0.000 0.979 371 F CB 1.725 40.571 39.000 -0.256 0.000 1.266 371 F HN 0.272 nan 8.300 nan 0.000 0.444 372 Q N 5.337 124.552 119.800 -0.974 0.000 2.331 372 Q HA 0.188 4.529 4.340 0.002 0.000 0.257 372 Q C -1.295 174.216 176.000 -0.815 0.000 0.957 372 Q CA -0.247 55.157 55.803 -0.664 0.000 0.923 372 Q CB 1.152 29.634 28.738 -0.426 0.000 1.212 372 Q HN 0.721 nan 8.270 nan 0.000 0.443 373 Y N 2.931 123.151 120.300 -0.133 0.000 2.724 373 Y HA 0.068 4.619 4.550 0.002 0.000 0.354 373 Y C 0.744 176.618 175.900 -0.043 0.000 1.270 373 Y CA -0.164 57.941 58.100 0.009 0.000 1.902 373 Y CB 0.248 38.782 38.460 0.123 0.000 1.981 373 Y HN 0.437 nan 8.280 nan 0.000 0.428 374 Q N 0.390 120.164 119.800 -0.045 0.000 2.578 374 Q HA 0.536 4.877 4.340 0.002 0.000 0.284 374 Q C -2.052 173.894 176.000 -0.089 0.000 0.960 374 Q CA -1.237 54.541 55.803 -0.041 0.000 0.809 374 Q CB 2.252 30.960 28.738 -0.050 0.000 1.462 374 Q HN 0.324 nan 8.270 nan 0.000 0.392 375 N N -0.107 118.550 118.700 -0.072 0.000 2.504 375 N HA 0.545 5.286 4.740 0.002 0.000 0.268 375 N C -2.240 173.219 175.510 -0.084 0.000 1.184 375 N CA -0.496 52.511 53.050 -0.073 0.000 0.875 375 N CB 2.416 40.874 38.487 -0.049 0.000 1.630 375 N HN 0.650 nan 8.380 nan 0.000 0.486 376 R N 2.835 123.291 120.500 -0.073 0.000 2.502 376 R HA 0.569 4.910 4.340 0.002 0.000 0.300 376 R C -1.137 175.248 176.300 0.142 0.000 0.984 376 R CA -0.501 55.542 56.100 -0.094 0.000 0.882 376 R CB 0.678 30.830 30.300 -0.247 0.000 1.180 376 R HN 0.638 nan 8.270 nan 0.000 0.444 377 I N 3.499 124.320 120.570 0.419 0.000 2.598 377 I HA 0.161 4.332 4.170 0.002 0.000 0.284 377 I C 0.452 176.774 176.117 0.340 0.000 1.140 377 I CA 0.587 62.084 61.300 0.330 0.000 1.420 377 I CB 1.201 39.421 38.000 0.366 0.000 1.387 377 I HN 0.723 nan 8.210 nan 0.000 0.553 378 A N 4.845 127.732 122.820 0.112 0.000 2.354 378 A HA 0.252 4.573 4.320 0.002 0.000 0.269 378 A C 1.245 178.744 177.584 -0.141 0.000 1.109 378 A CA -0.072 51.941 52.037 -0.039 0.000 0.800 378 A CB 0.943 19.742 19.000 -0.335 0.000 1.045 378 A HN 0.776 nan 8.150 nan 0.000 0.489 379 S N 1.102 116.735 115.700 -0.111 0.000 2.370 379 S HA -0.183 4.288 4.470 0.002 0.000 0.226 379 S C 1.579 176.048 174.600 -0.218 0.000 1.033 379 S CA 2.287 60.328 58.200 -0.265 0.000 1.011 379 S CB -0.382 62.831 63.200 0.020 0.000 0.852 379 S HN 0.786 nan 8.310 nan 0.000 0.457 380 E N 0.124 120.225 120.200 -0.166 0.000 2.153 380 E HA -0.057 4.294 4.350 0.002 0.000 0.194 380 E C 1.568 178.036 176.600 -0.221 0.000 0.988 380 E CA 1.035 57.347 56.400 -0.148 0.000 0.811 380 E CB -0.323 29.293 29.700 -0.140 0.000 0.746 380 E HN 0.603 nan 8.360 nan 0.000 0.466 381 F N 1.630 121.157 119.950 -0.705 0.000 2.186 381 F HA -0.107 4.421 4.527 0.001 0.000 0.299 381 F C 1.919 177.456 175.800 -0.439 0.000 1.090 381 F CA 1.136 58.808 58.000 -0.548 0.000 1.307 381 F CB -0.354 38.287 39.000 -0.598 0.000 1.019 381 F HN 0.002 nan 8.300 nan 0.000 0.489 382 N N -0.154 118.059 118.700 -0.812 0.000 2.142 382 N HA -0.151 4.590 4.740 0.002 0.000 0.186 382 N C 1.717 176.576 175.510 -1.085 0.000 1.023 382 N CA 2.109 54.175 53.050 -1.640 0.000 0.852 382 N CB -0.594 37.044 38.487 -1.415 0.000 0.998 382 N HN 0.253 nan 8.380 nan 0.000 0.424 383 T N 1.704 115.954 114.554 -0.507 0.000 2.674 383 T HA -0.135 4.216 4.350 0.002 0.000 0.265 383 T C 1.923 176.603 174.700 -0.033 0.000 1.039 383 T CA 1.726 63.741 62.100 -0.140 0.000 1.150 383 T CB -0.475 68.384 68.868 -0.015 0.000 0.864 383 T HN 0.425 nan 8.240 nan 0.000 0.427 384 L N -0.845 120.347 121.223 -0.052 0.000 2.187 384 L HA 0.038 4.379 4.340 0.002 0.000 0.213 384 L C 2.037 178.886 176.870 -0.035 0.000 1.100 384 L CA 1.592 56.465 54.840 0.054 0.000 0.765 384 L CB -1.229 40.870 42.059 0.068 0.000 0.904 384 L HN 0.186 nan 8.230 nan 0.000 0.437 385 Y N -0.020 119.945 120.300 -0.557 0.000 2.578 385 Y HA 0.047 4.598 4.550 0.002 0.000 0.297 385 Y C 0.934 176.236 175.900 -0.996 0.000 1.176 385 Y CA -0.084 57.357 58.100 -1.098 0.000 1.315 385 Y CB -0.101 37.671 38.460 -1.147 0.000 1.031 385 Y HN 0.275 nan 8.280 nan 0.000 0.524 386 H N 0.074 119.020 119.070 -0.208 0.000 3.195 386 H HA -0.075 4.482 4.556 0.002 0.000 0.241 386 H C -0.538 174.791 175.328 0.002 0.000 1.823 386 H CA -0.139 55.797 56.048 -0.185 0.000 1.466 386 H CB -0.749 29.004 29.762 -0.014 0.000 1.819 386 H HN 0.377 nan 8.280 nan 0.000 0.575 387 W N 2.343 123.537 121.300 -0.177 0.000 2.136 387 W HA 0.108 4.768 4.660 0.001 0.000 0.436 387 W C 0.978 177.458 176.519 -0.065 0.000 0.624 387 W CA -0.975 56.349 57.345 -0.035 0.000 2.276 387 W CB -0.762 28.756 29.460 0.096 0.000 1.277 387 W HN 0.574 nan 8.180 nan 0.000 0.595 388 H N 0.244 119.564 119.070 0.417 0.000 2.423 388 H HA -0.060 4.497 4.556 0.002 0.000 0.297 388 H C -0.686 174.800 175.328 0.263 0.000 1.075 388 H CA 0.954 57.189 56.048 0.312 0.000 1.342 388 H CB -1.607 28.316 29.762 0.268 0.000 1.395 388 H HN 0.119 nan 8.280 nan 0.000 0.530 389 P HA -0.090 nan 4.420 nan 0.000 0.229 389 P C 1.627 179.046 177.300 0.199 0.000 1.150 389 P CA 0.669 63.890 63.100 0.202 0.000 0.765 389 P CB -0.251 31.516 31.700 0.112 0.000 0.783 390 L N -1.674 119.688 121.223 0.232 0.000 2.141 390 L HA -0.059 4.282 4.340 0.002 0.000 0.209 390 L C 1.199 178.214 176.870 0.243 0.000 1.094 390 L CA 0.419 55.391 54.840 0.219 0.000 0.763 390 L CB -0.475 41.747 42.059 0.272 0.000 0.908 390 L HN -0.007 nan 8.230 nan 0.000 0.437 391 L N 1.742 123.127 121.223 0.270 0.000 2.499 391 L HA 0.071 4.412 4.340 0.002 0.000 0.273 391 L C -1.779 175.208 176.870 0.195 0.000 1.195 391 L CA -1.348 53.641 54.840 0.250 0.000 0.882 391 L CB 0.057 42.382 42.059 0.443 0.000 1.133 391 L HN -0.074 nan 8.230 nan 0.000 0.483 392 P HA 0.086 nan 4.420 nan 0.000 0.279 392 P C -0.410 176.737 177.300 -0.255 0.000 1.282 392 P CA -0.419 62.463 63.100 -0.363 0.000 0.788 392 P CB 1.091 32.440 31.700 -0.585 0.000 1.139 393 D N -1.309 118.890 120.400 -0.335 0.000 2.249 393 D HA 0.008 4.649 4.640 0.002 0.000 0.205 393 D C 0.737 176.974 176.300 -0.106 0.000 0.962 393 D CA 1.440 55.380 54.000 -0.101 0.000 0.860 393 D CB 0.219 40.944 40.800 -0.124 0.000 0.955 393 D HN 0.526 nan 8.370 nan 0.000 0.505 394 T N -2.337 111.994 114.554 -0.371 0.000 2.883 394 T HA 0.552 4.903 4.350 0.002 0.000 0.301 394 T C -0.874 173.422 174.700 -0.672 0.000 1.158 394 T CA -0.884 60.994 62.100 -0.369 0.000 1.007 394 T CB 1.314 70.084 68.868 -0.164 0.000 1.186 394 T HN -0.216 nan 8.240 nan 0.000 0.499 395 F N 2.059 121.859 119.950 -0.249 0.000 2.361 395 F HA 0.437 4.965 4.527 0.002 0.000 0.364 395 F C 0.300 176.010 175.800 -0.150 0.000 1.117 395 F CA -1.040 56.758 58.000 -0.336 0.000 1.071 395 F CB 1.043 39.473 39.000 -0.950 0.000 1.188 395 F HN 0.428 nan 8.300 nan 0.000 0.464 396 N N 5.196 123.903 118.700 0.011 0.000 2.437 396 N HA 0.370 5.111 4.740 0.002 0.000 0.243 396 N C -0.824 174.676 175.510 -0.018 0.000 1.041 396 N CA -0.148 52.895 53.050 -0.012 0.000 0.940 396 N CB 1.245 39.703 38.487 -0.048 0.000 1.133 396 N HN 0.468 nan 8.380 nan 0.000 0.506 397 I N 1.324 121.844 120.570 -0.084 0.000 2.382 397 I HA 0.109 4.280 4.170 0.002 0.000 0.286 397 I C 1.136 177.076 176.117 -0.295 0.000 1.002 397 I CA -0.146 60.952 61.300 -0.337 0.000 1.135 397 I CB 0.969 38.543 38.000 -0.711 0.000 1.288 397 I HN 0.589 nan 8.210 nan 0.000 0.448 398 E N 3.015 123.106 120.200 -0.182 0.000 3.679 398 E HA -0.338 4.013 4.350 0.002 0.000 0.309 398 E C 0.183 176.779 176.600 -0.006 0.000 1.318 398 E CA 2.373 58.748 56.400 -0.042 0.000 1.822 398 E CB -0.530 29.223 29.700 0.088 0.000 1.689 398 E HN 0.770 nan 8.360 nan 0.000 0.355 399 D N -0.099 120.324 120.400 0.038 0.000 2.479 399 D HA 0.082 4.723 4.640 0.002 0.000 0.216 399 D C 0.140 176.423 176.300 -0.029 0.000 1.110 399 D CA 0.293 54.303 54.000 0.017 0.000 0.841 399 D CB 0.298 41.124 40.800 0.044 0.000 1.040 399 D HN 0.102 nan 8.370 nan 0.000 0.505 400 Q N 0.674 120.442 119.800 -0.052 0.000 2.199 400 Q HA 0.460 4.801 4.340 0.002 0.000 0.232 400 Q C -0.149 175.677 176.000 -0.290 0.000 0.969 400 Q CA -0.021 55.640 55.803 -0.237 0.000 0.925 400 Q CB 1.642 30.109 28.738 -0.452 0.000 1.198 400 Q HN 0.074 nan 8.270 nan 0.000 0.494 401 E N 0.771 120.724 120.200 -0.411 0.000 2.260 401 E HA 0.353 4.704 4.350 0.002 0.000 0.266 401 E C -1.371 175.034 176.600 -0.326 0.000 0.887 401 E CA -0.290 55.961 56.400 -0.248 0.000 0.777 401 E CB 1.381 30.992 29.700 -0.148 0.000 1.205 401 E HN 0.383 nan 8.360 nan 0.000 0.414 402 Y N 0.667 120.992 120.300 0.040 0.000 2.409 402 Y HA 0.237 4.788 4.550 0.002 0.000 0.339 402 Y C 0.904 176.894 175.900 0.151 0.000 1.033 402 Y CA -0.769 57.414 58.100 0.137 0.000 1.094 402 Y CB 1.716 40.326 38.460 0.251 0.000 1.210 402 Y HN 0.426 nan 8.280 nan 0.000 0.456 403 S N 0.889 116.804 115.700 0.358 0.000 2.634 403 S HA 0.198 4.669 4.470 0.002 0.000 0.261 403 S C 0.722 175.625 174.600 0.506 0.000 1.271 403 S CA -0.468 57.943 58.200 0.352 0.000 0.985 403 S CB 0.402 63.773 63.200 0.285 0.000 0.968 403 S HN 0.561 nan 8.310 nan 0.000 0.568 404 F N 0.950 121.100 119.950 0.333 0.000 2.161 404 F HA -0.015 4.513 4.527 0.002 0.000 0.300 404 F C 2.569 178.587 175.800 0.363 0.000 1.089 404 F CA 1.781 60.038 58.000 0.427 0.000 1.282 404 F CB -0.358 38.824 39.000 0.303 0.000 1.010 404 F HN 0.682 nan 8.300 nan 0.000 0.485 405 K N 0.694 121.378 120.400 0.473 0.000 2.026 405 K HA -0.219 4.102 4.320 0.002 0.000 0.208 405 K C 1.737 178.534 176.600 0.328 0.000 1.048 405 K CA 1.863 58.358 56.287 0.346 0.000 0.929 405 K CB -0.238 32.419 32.500 0.260 0.000 0.713 405 K HN 0.428 nan 8.250 nan 0.000 0.439 406 Q N -1.226 118.788 119.800 0.357 0.000 2.444 406 Q HA -0.041 4.300 4.340 0.002 0.000 0.206 406 Q C 1.355 177.575 176.000 0.367 0.000 0.948 406 Q CA 0.389 56.404 55.803 0.352 0.000 0.946 406 Q CB 0.028 29.006 28.738 0.399 0.000 1.027 406 Q HN 0.192 nan 8.270 nan 0.000 0.513 407 F N 0.708 120.753 119.950 0.158 0.000 2.500 407 F HA 0.241 4.769 4.527 0.002 0.000 0.285 407 F C 0.658 176.442 175.800 -0.026 0.000 1.088 407 F CA -0.465 57.529 58.000 -0.010 0.000 1.432 407 F CB 0.544 39.499 39.000 -0.074 0.000 1.131 407 F HN -0.034 nan 8.300 nan 0.000 0.582 408 L N 1.861 123.171 121.223 0.145 0.000 2.534 408 L HA -0.110 4.231 4.340 0.002 0.000 0.271 408 L C 0.003 176.916 176.870 0.071 0.000 1.178 408 L CA 0.646 55.501 54.840 0.025 0.000 0.907 408 L CB -0.822 41.343 42.059 0.177 0.000 1.164 408 L HN 0.498 nan 8.230 nan 0.000 0.482 409 Y N 1.284 121.601 120.300 0.028 0.000 4.177 409 Y HA -0.275 4.276 4.550 0.002 0.000 0.227 409 Y C 0.772 176.701 175.900 0.047 0.000 1.154 409 Y CA 0.332 58.474 58.100 0.069 0.000 1.887 409 Y CB -1.176 37.352 38.460 0.113 0.000 1.594 409 Y HN 0.653 nan 8.280 nan 0.000 0.668 410 N N 1.025 119.731 118.700 0.010 0.000 2.898 410 N HA 0.187 4.928 4.740 0.002 0.000 0.245 410 N C 0.388 175.844 175.510 -0.089 0.000 1.185 410 N CA -0.141 52.903 53.050 -0.010 0.000 0.879 410 N CB 0.273 38.743 38.487 -0.029 0.000 1.157 410 N HN 0.220 nan 8.380 nan 0.000 0.503 411 N N -0.055 118.649 118.700 0.006 0.000 2.512 411 N HA -0.062 4.679 4.740 0.002 0.000 0.183 411 N C 1.185 176.679 175.510 -0.027 0.000 1.073 411 N CA 0.493 53.549 53.050 0.010 0.000 0.911 411 N CB 0.306 38.950 38.487 0.263 0.000 0.964 411 N HN 0.437 nan 8.380 nan 0.000 0.447 412 S N 0.398 116.087 115.700 -0.019 0.000 2.423 412 S HA 0.028 4.499 4.470 0.002 0.000 0.231 412 S C 2.026 176.623 174.600 -0.006 0.000 1.014 412 S CA 0.395 58.582 58.200 -0.021 0.000 0.965 412 S CB -0.160 63.040 63.200 0.001 0.000 0.785 412 S HN 0.271 nan 8.310 nan 0.000 0.495 413 I N 1.091 121.659 120.570 -0.002 0.000 2.226 413 I HA -0.145 4.026 4.170 0.002 0.000 0.245 413 I C 2.400 178.657 176.117 0.234 0.000 1.100 413 I CA 0.876 62.247 61.300 0.119 0.000 1.374 413 I CB -0.365 37.607 38.000 -0.047 0.000 1.057 413 I HN 0.246 nan 8.210 nan 0.000 0.413 414 L N 0.685 121.847 121.223 -0.101 0.000 2.027 414 L HA -0.153 4.188 4.340 0.002 0.000 0.206 414 L C 2.259 178.990 176.870 -0.231 0.000 1.074 414 L CA 1.825 56.352 54.840 -0.522 0.000 0.745 414 L CB -0.442 41.167 42.059 -0.750 0.000 0.898 414 L HN 0.127 nan 8.230 nan 0.000 0.433 415 L N -0.838 120.273 121.223 -0.187 0.000 2.141 415 L HA -0.150 4.191 4.340 0.002 0.000 0.209 415 L C 2.614 179.443 176.870 -0.068 0.000 1.094 415 L CA 1.051 55.781 54.840 -0.182 0.000 0.763 415 L CB -0.524 41.404 42.059 -0.218 0.000 0.908 415 L HN 0.407 nan 8.230 nan 0.000 0.437 416 E N -0.217 119.964 120.200 -0.032 0.000 2.047 416 E HA -0.221 4.130 4.350 0.002 0.000 0.191 416 E C 1.988 178.521 176.600 -0.111 0.000 0.987 416 E CA 1.570 57.928 56.400 -0.071 0.000 0.799 416 E CB 0.089 29.741 29.700 -0.079 0.000 0.752 416 E HN 0.610 nan 8.360 nan 0.000 0.449 417 H N -1.312 117.839 119.070 0.134 0.000 2.431 417 H HA 0.212 4.769 4.556 0.002 0.000 0.295 417 H C 0.769 176.171 175.328 0.123 0.000 1.038 417 H CA 0.672 56.818 56.048 0.163 0.000 1.360 417 H CB 0.681 30.607 29.762 0.274 0.000 1.433 417 H HN 0.300 nan 8.280 nan 0.000 0.536 418 G N -0.101 108.813 108.800 0.189 0.000 2.690 418 G HA2 -0.198 3.763 3.960 0.002 0.000 0.686 418 G HA3 -0.198 3.763 3.960 0.002 0.000 0.686 418 G C 0.401 175.327 174.900 0.043 0.000 1.277 418 G CA -0.247 44.907 45.100 0.089 0.000 0.799 418 G HN 0.146 nan 8.290 nan 0.000 0.613 419 L N 0.778 121.962 121.223 -0.065 0.000 2.079 419 L HA -0.114 4.227 4.340 0.002 0.000 0.210 419 L C 3.194 180.033 176.870 -0.053 0.000 1.081 419 L CA 2.827 57.585 54.840 -0.137 0.000 0.752 419 L CB -1.655 40.275 42.059 -0.214 0.000 0.896 419 L HN 0.847 nan 8.230 nan 0.000 0.433 420 T N -0.763 113.774 114.554 -0.029 0.000 2.684 420 T HA -0.253 4.098 4.350 0.002 0.000 0.267 420 T C 1.951 176.660 174.700 0.014 0.000 1.036 420 T CA 1.378 63.468 62.100 -0.017 0.000 1.148 420 T CB -0.163 68.699 68.868 -0.010 0.000 0.863 420 T HN 0.359 nan 8.240 nan 0.000 0.436 421 Q N -0.386 119.450 119.800 0.061 0.000 2.079 421 Q HA -0.021 4.320 4.340 0.002 0.000 0.200 421 Q C 2.068 178.049 176.000 -0.032 0.000 0.974 421 Q CA 1.206 57.042 55.803 0.055 0.000 0.840 421 Q CB -0.297 28.531 28.738 0.149 0.000 0.898 421 Q HN 0.411 nan 8.270 nan 0.000 0.430 422 F N -0.096 119.709 119.950 -0.242 0.000 2.126 422 F HA -0.253 4.275 4.527 0.002 0.000 0.299 422 F C 2.174 177.689 175.800 -0.474 0.000 1.096 422 F CA 1.037 58.731 58.000 -0.511 0.000 1.255 422 F CB -0.377 38.286 39.000 -0.562 0.000 0.997 422 F HN -0.111 nan 8.300 nan 0.000 0.479 423 V N -0.334 119.536 119.914 -0.073 0.000 2.307 423 V HA -0.269 3.852 4.120 0.002 0.000 0.245 423 V C 2.102 178.214 176.094 0.030 0.000 1.045 423 V CA 2.067 64.358 62.300 -0.017 0.000 1.024 423 V CB -0.635 31.170 31.823 -0.030 0.000 0.651 423 V HN 0.303 nan 8.190 nan 0.000 0.449 424 E N 0.255 120.458 120.200 0.006 0.000 2.077 424 E HA -0.169 4.182 4.350 0.002 0.000 0.193 424 E C 2.386 179.006 176.600 0.033 0.000 0.989 424 E CA 1.646 58.065 56.400 0.031 0.000 0.800 424 E CB -0.211 29.503 29.700 0.024 0.000 0.746 424 E HN 0.543 nan 8.360 nan 0.000 0.452 425 S N 0.479 116.162 115.700 -0.029 0.000 2.357 425 S HA -0.077 4.394 4.470 0.002 0.000 0.221 425 S C 1.628 176.337 174.600 0.181 0.000 1.031 425 S CA 0.695 58.886 58.200 -0.014 0.000 0.982 425 S CB -0.196 62.887 63.200 -0.195 0.000 0.853 425 S HN 0.176 nan 8.310 nan 0.000 0.458 426 F N 2.429 122.378 119.950 -0.002 0.000 2.293 426 F HA -0.009 4.519 4.527 0.002 0.000 0.300 426 F C 2.638 178.514 175.800 0.127 0.000 1.086 426 F CA 0.507 58.563 58.000 0.093 0.000 1.375 426 F CB -1.689 37.394 39.000 0.137 0.000 1.045 426 F HN 0.172 nan 8.300 nan 0.000 0.516 427 T N -0.358 114.365 114.554 0.282 0.000 2.904 427 T HA -0.106 4.245 4.350 0.002 0.000 0.267 427 T C 2.125 176.910 174.700 0.140 0.000 1.059 427 T CA 0.950 63.164 62.100 0.191 0.000 1.137 427 T CB -0.026 68.921 68.868 0.132 0.000 0.879 427 T HN 0.229 nan 8.240 nan 0.000 0.467 428 R N 0.856 121.431 120.500 0.125 0.000 2.093 428 R HA 0.126 4.467 4.340 0.002 0.000 0.224 428 R C 1.467 177.817 176.300 0.085 0.000 1.101 428 R CA 0.336 56.486 56.100 0.083 0.000 0.979 428 R CB -0.065 30.270 30.300 0.058 0.000 0.877 428 R HN 0.387 nan 8.270 nan 0.000 0.441 429 Q N 1.854 121.723 119.800 0.114 0.000 2.297 429 Q HA 0.124 4.465 4.340 0.002 0.000 0.267 429 Q C -0.573 175.482 176.000 0.091 0.000 1.006 429 Q CA -0.087 55.766 55.803 0.084 0.000 0.896 429 Q CB 0.687 29.477 28.738 0.088 0.000 1.186 429 Q HN 0.136 nan 8.270 nan 0.000 0.392 430 I N 3.143 123.764 120.570 0.085 0.000 2.720 430 I HA 0.383 4.554 4.170 0.002 0.000 0.287 430 I C -0.446 175.785 176.117 0.191 0.000 1.090 430 I CA 0.030 61.406 61.300 0.126 0.000 1.384 430 I CB 0.959 39.045 38.000 0.144 0.000 1.420 430 I HN 0.787 nan 8.210 nan 0.000 0.575 431 A N 4.939 127.872 122.820 0.189 0.000 2.269 431 A HA 0.743 5.064 4.320 0.002 0.000 0.319 431 A C 0.111 177.849 177.584 0.256 0.000 1.110 431 A CA -0.169 52.009 52.037 0.235 0.000 0.847 431 A CB 0.587 19.684 19.000 0.161 0.000 1.161 431 A HN 0.872 nan 8.150 nan 0.000 0.497 432 G N -0.327 108.637 108.800 0.275 0.000 2.507 432 G HA2 0.467 4.428 3.960 0.002 0.000 0.271 432 G HA3 0.467 4.428 3.960 0.002 0.000 0.271 432 G C 0.189 174.997 174.900 -0.153 0.000 1.189 432 G CA -0.575 44.472 45.100 -0.088 0.000 0.859 432 G HN 0.896 nan 8.290 nan 0.000 0.542 433 R N 0.488 120.825 120.500 -0.271 0.000 2.539 433 R HA 0.291 4.632 4.340 0.002 0.000 0.275 433 R C 0.666 176.874 176.300 -0.153 0.000 1.077 433 R CA -0.556 55.400 56.100 -0.240 0.000 1.097 433 R CB 0.946 31.096 30.300 -0.249 0.000 1.018 433 R HN 0.244 nan 8.270 nan 0.000 0.483 434 V N 3.149 122.973 119.914 -0.149 0.000 2.490 434 V HA 0.112 4.233 4.120 0.002 0.000 0.238 434 V C 1.224 177.302 176.094 -0.027 0.000 1.056 434 V CA 1.308 63.584 62.300 -0.040 0.000 1.075 434 V CB -0.682 31.151 31.823 0.016 0.000 0.746 434 V HN 0.940 nan 8.190 nan 0.000 0.479 435 A N -0.348 122.465 122.820 -0.013 0.000 2.261 435 A HA 0.459 4.780 4.320 0.002 0.000 0.275 435 A C 1.752 179.295 177.584 -0.069 0.000 1.246 435 A CA 0.862 52.883 52.037 -0.027 0.000 0.810 435 A CB -0.888 18.107 19.000 -0.008 0.000 1.168 435 A HN 1.390 nan 8.150 nan 0.000 0.506 436 G N -2.305 106.453 108.800 -0.070 0.000 2.527 436 G HA2 0.358 4.319 3.960 0.002 0.000 0.218 436 G HA3 0.358 4.319 3.960 0.002 0.000 0.218 436 G C 1.611 176.470 174.900 -0.068 0.000 1.177 436 G CA 0.787 45.840 45.100 -0.078 0.000 0.695 436 G HN 3.109 nan 8.290 nan 0.000 0.517 437 G N -0.650 108.112 108.800 -0.064 0.000 2.617 437 G HA2 0.429 4.390 3.960 0.002 0.000 0.686 437 G HA3 0.429 4.390 3.960 0.002 0.000 0.686 437 G C 0.098 174.970 174.900 -0.045 0.000 1.214 437 G CA 0.283 45.352 45.100 -0.052 0.000 0.796 437 G HN 1.802 nan 8.290 nan 0.000 0.654 438 R N -0.351 120.131 120.500 -0.031 0.000 2.965 438 R HA -0.229 4.112 4.340 0.002 0.000 0.245 438 R C 0.339 176.628 176.300 -0.018 0.000 0.861 438 R CA 1.040 57.129 56.100 -0.019 0.000 0.614 438 R CB -1.019 29.269 30.300 -0.020 0.000 1.229 438 R HN 0.665 nan 8.270 nan 0.000 0.503 439 N N -0.379 118.318 118.700 -0.004 0.000 2.217 439 N HA 0.075 4.816 4.740 0.002 0.000 0.239 439 N C -1.009 174.541 175.510 0.067 0.000 1.330 439 N CA -0.027 53.026 53.050 0.006 0.000 0.838 439 N CB 1.211 39.668 38.487 -0.049 0.000 1.287 439 N HN 0.115 nan 8.380 nan 0.000 0.498 440 V N 3.044 123.001 119.914 0.072 0.000 2.408 440 V HA 0.365 4.486 4.120 0.002 0.000 0.267 440 V C -2.053 174.086 176.094 0.074 0.000 1.047 440 V CA -1.477 60.889 62.300 0.110 0.000 0.937 440 V CB 0.971 32.862 31.823 0.114 0.000 0.999 440 V HN 0.082 nan 8.190 nan 0.000 0.472 441 P HA 0.062 nan 4.420 nan 0.000 0.261 441 P C 0.858 178.103 177.300 -0.091 0.000 1.183 441 P CA -0.003 63.090 63.100 -0.012 0.000 0.761 441 P CB 0.537 32.213 31.700 -0.040 0.000 0.785 442 I N 3.785 124.300 120.570 -0.092 0.000 2.315 442 I HA -0.283 3.888 4.170 0.002 0.000 0.251 442 I C 2.266 178.287 176.117 -0.160 0.000 1.125 442 I CA 1.705 62.949 61.300 -0.093 0.000 1.392 442 I CB -1.196 36.764 38.000 -0.067 0.000 1.065 442 I HN 0.393 nan 8.210 nan 0.000 0.424 443 A N -0.965 121.674 122.820 -0.302 0.000 2.131 443 A HA -0.109 4.212 4.320 0.002 0.000 0.220 443 A C 2.092 179.481 177.584 -0.326 0.000 1.158 443 A CA 1.577 53.364 52.037 -0.417 0.000 0.665 443 A CB -0.443 17.990 19.000 -0.945 0.000 0.795 443 A HN 0.275 nan 8.150 nan 0.000 0.460 444 V N 0.321 120.083 119.914 -0.253 0.000 3.078 444 V HA 0.019 4.140 4.120 0.002 0.000 0.344 444 V C 1.723 177.756 176.094 -0.100 0.000 1.409 444 V CA 0.556 62.776 62.300 -0.134 0.000 1.146 444 V CB -0.030 31.754 31.823 -0.064 0.000 1.126 444 V HN 0.873 nan 8.190 nan 0.000 0.513 445 Q N 0.509 120.262 119.800 -0.078 0.000 2.170 445 Q HA -0.118 4.223 4.340 0.002 0.000 0.203 445 Q C 1.971 177.943 176.000 -0.046 0.000 0.976 445 Q CA 1.965 57.742 55.803 -0.042 0.000 0.858 445 Q CB -0.392 28.326 28.738 -0.033 0.000 0.907 445 Q HN 0.542 nan 8.270 nan 0.000 0.433 446 A N 1.111 123.896 122.820 -0.058 0.000 1.972 446 A HA -0.087 4.234 4.320 0.002 0.000 0.219 446 A C 2.321 179.851 177.584 -0.091 0.000 1.169 446 A CA 1.401 53.402 52.037 -0.059 0.000 0.635 446 A CB -0.658 18.313 19.000 -0.049 0.000 0.810 446 A HN 0.263 nan 8.150 nan 0.000 0.446 447 V N -0.351 119.485 119.914 -0.130 0.000 2.358 447 V HA -0.210 3.911 4.120 0.002 0.000 0.246 447 V C 3.000 178.971 176.094 -0.206 0.000 1.047 447 V CA 1.841 64.014 62.300 -0.212 0.000 1.035 447 V CB -1.028 30.572 31.823 -0.371 0.000 0.658 447 V HN 0.603 nan 8.190 nan 0.000 0.452 448 A N -0.792 121.970 122.820 -0.096 0.000 1.968 448 A HA -0.187 4.134 4.320 0.002 0.000 0.217 448 A C 2.337 179.939 177.584 0.031 0.000 1.169 448 A CA 1.722 53.794 52.037 0.058 0.000 0.638 448 A CB -0.377 18.725 19.000 0.169 0.000 0.812 448 A HN 0.469 nan 8.150 nan 0.000 0.446 449 K N -0.362 120.028 120.400 -0.018 0.000 2.103 449 K HA -0.005 4.316 4.320 0.002 0.000 0.204 449 K C 2.168 178.724 176.600 -0.073 0.000 1.052 449 K CA 0.922 57.199 56.287 -0.017 0.000 0.945 449 K CB -0.225 32.262 32.500 -0.021 0.000 0.722 449 K HN 0.395 nan 8.250 nan 0.000 0.443 450 A N 0.628 123.371 122.820 -0.128 0.000 1.933 450 A HA -0.124 4.197 4.320 0.002 0.000 0.218 450 A C 2.122 179.546 177.584 -0.267 0.000 1.175 450 A CA 1.876 53.814 52.037 -0.164 0.000 0.628 450 A CB -0.493 18.409 19.000 -0.163 0.000 0.814 450 A HN 0.279 nan 8.150 nan 0.000 0.444 451 S N 0.029 115.469 115.700 -0.433 0.000 2.370 451 S HA -0.142 4.329 4.470 0.002 0.000 0.226 451 S C 1.802 176.125 174.600 -0.461 0.000 1.033 451 S CA 1.572 59.340 58.200 -0.721 0.000 1.011 451 S CB -0.504 61.823 63.200 -1.456 0.000 0.852 451 S HN 0.565 nan 8.310 nan 0.000 0.457 452 I N 1.710 122.157 120.570 -0.205 0.000 2.133 452 I HA -0.181 3.990 4.170 0.002 0.000 0.238 452 I C 2.092 178.169 176.117 -0.066 0.000 1.074 452 I CA 1.247 62.536 61.300 -0.018 0.000 1.342 452 I CB -0.612 37.445 38.000 0.095 0.000 1.053 452 I HN 0.165 nan 8.210 nan 0.000 0.404 453 D N 0.736 121.093 120.400 -0.071 0.000 2.104 453 D HA -0.216 4.425 4.640 0.002 0.000 0.194 453 D C 2.246 178.497 176.300 -0.081 0.000 0.994 453 D CA 1.372 55.338 54.000 -0.056 0.000 0.830 453 D CB -0.362 40.409 40.800 -0.048 0.000 0.959 453 D HN 0.406 nan 8.370 nan 0.000 0.452 454 Q N 0.169 119.889 119.800 -0.133 0.000 2.119 454 Q HA -0.059 4.282 4.340 0.002 0.000 0.201 454 Q C 2.286 178.157 176.000 -0.214 0.000 0.972 454 Q CA 1.156 56.876 55.803 -0.139 0.000 0.847 454 Q CB 0.051 28.696 28.738 -0.154 0.000 0.903 454 Q HN 0.122 nan 8.270 nan 0.000 0.433 455 S N 0.520 116.009 115.700 -0.351 0.000 2.382 455 S HA -0.137 4.334 4.470 0.002 0.000 0.228 455 S C 1.728 176.169 174.600 -0.265 0.000 1.027 455 S CA 1.039 58.859 58.200 -0.633 0.000 0.991 455 S CB -0.133 62.699 63.200 -0.614 0.000 0.823 455 S HN 0.326 nan 8.310 nan 0.000 0.469 456 R N 1.062 121.503 120.500 -0.098 0.000 2.075 456 R HA -0.012 4.329 4.340 0.002 0.000 0.232 456 R C 2.357 178.680 176.300 0.039 0.000 1.126 456 R CA 1.109 57.219 56.100 0.016 0.000 0.963 456 R CB -0.261 30.055 30.300 0.027 0.000 0.858 456 R HN 0.508 nan 8.270 nan 0.000 0.435 457 E N 0.741 120.949 120.200 0.012 0.000 2.038 457 E HA -0.180 4.171 4.350 0.002 0.000 0.195 457 E C 1.617 178.272 176.600 0.092 0.000 1.000 457 E CA 1.388 57.818 56.400 0.049 0.000 0.803 457 E CB -0.052 29.671 29.700 0.037 0.000 0.750 457 E HN 0.302 nan 8.360 nan 0.000 0.448 458 M N 0.816 120.473 119.600 0.095 0.000 2.696 458 M HA 0.022 4.503 4.480 0.002 0.000 0.220 458 M C -0.395 176.070 176.300 0.274 0.000 1.133 458 M CA 0.413 55.828 55.300 0.191 0.000 1.016 458 M CB -0.030 32.716 32.600 0.244 0.000 1.740 458 M HN -0.114 nan 8.290 nan 0.000 0.502 459 K N 0.312 120.837 120.400 0.208 0.000 3.311 459 K HA -0.211 4.110 4.320 0.002 0.000 0.270 459 K C -1.022 175.753 176.600 0.292 0.000 0.927 459 K CA 0.739 57.148 56.287 0.203 0.000 0.706 459 K CB -2.047 30.534 32.500 0.134 0.000 1.418 459 K HN 0.288 nan 8.250 nan 0.000 0.459 460 Y N 1.224 121.594 120.300 0.117 0.000 2.480 460 Y HA -0.006 4.545 4.550 0.001 0.000 0.338 460 Y C 1.682 177.701 175.900 0.200 0.000 1.220 460 Y CA 0.089 58.308 58.100 0.198 0.000 1.430 460 Y CB 0.510 39.087 38.460 0.196 0.000 1.311 460 Y HN 0.203 nan 8.280 nan 0.000 0.575 461 Q N 0.684 120.673 119.800 0.315 0.000 2.318 461 Q HA 0.293 4.634 4.340 0.002 0.000 0.222 461 Q C 0.163 176.325 176.000 0.271 0.000 1.003 461 Q CA -0.638 55.245 55.803 0.134 0.000 0.936 461 Q CB 0.832 29.472 28.738 -0.163 0.000 1.204 461 Q HN 0.814 nan 8.270 nan 0.000 0.524 462 S N 0.061 115.852 115.700 0.152 0.000 2.572 462 S HA -0.066 4.405 4.470 0.002 0.000 0.267 462 S C 0.985 175.729 174.600 0.240 0.000 1.361 462 S CA -0.325 57.976 58.200 0.169 0.000 1.009 462 S CB 0.366 63.615 63.200 0.082 0.000 0.888 462 S HN 0.665 nan 8.310 nan 0.000 0.553 463 L N 1.887 123.221 121.223 0.184 0.000 2.042 463 L HA -0.087 4.254 4.340 0.002 0.000 0.210 463 L C 2.020 178.980 176.870 0.149 0.000 1.076 463 L CA 2.124 57.077 54.840 0.187 0.000 0.749 463 L CB -1.225 40.894 42.059 0.100 0.000 0.893 463 L HN 0.855 nan 8.230 nan 0.000 0.432 464 N N -1.004 117.735 118.700 0.066 0.000 2.244 464 N HA -0.162 4.579 4.740 0.002 0.000 0.183 464 N C 1.571 177.078 175.510 -0.004 0.000 1.016 464 N CA 0.833 53.887 53.050 0.006 0.000 0.866 464 N CB 0.038 38.508 38.487 -0.027 0.000 0.980 464 N HN 0.417 nan 8.380 nan 0.000 0.430 465 E N 0.348 120.542 120.200 -0.011 0.000 2.072 465 E HA -0.138 4.213 4.350 0.002 0.000 0.191 465 E C 1.450 177.981 176.600 -0.115 0.000 0.985 465 E CA 1.053 57.389 56.400 -0.106 0.000 0.801 465 E CB -0.309 29.281 29.700 -0.183 0.000 0.750 465 E HN 0.498 nan 8.360 nan 0.000 0.452 466 Y N 0.889 121.223 120.300 0.057 0.000 2.293 466 Y HA -0.070 4.481 4.550 0.001 0.000 0.291 466 Y C 2.527 178.534 175.900 0.179 0.000 1.137 466 Y CA 1.040 59.226 58.100 0.144 0.000 1.202 466 Y CB -0.048 38.497 38.460 0.140 0.000 0.990 466 Y HN -0.040 nan 8.280 nan 0.000 0.537 467 R N -0.028 120.591 120.500 0.198 0.000 2.075 467 R HA -0.150 4.191 4.340 0.002 0.000 0.232 467 R C 2.116 178.457 176.300 0.068 0.000 1.126 467 R CA 1.526 57.684 56.100 0.096 0.000 0.963 467 R CB -0.128 30.138 30.300 -0.056 0.000 0.858 467 R HN 0.229 nan 8.270 nan 0.000 0.435 468 K N -0.103 120.301 120.400 0.006 0.000 2.057 468 K HA -0.156 4.165 4.320 0.002 0.000 0.207 468 K C 2.037 178.610 176.600 -0.046 0.000 1.049 468 K CA 1.106 57.368 56.287 -0.041 0.000 0.931 468 K CB -0.095 32.354 32.500 -0.084 0.000 0.714 468 K HN -0.130 nan 8.250 nan 0.000 0.440 469 R N 0.515 120.989 120.500 -0.045 0.000 2.170 469 R HA -0.116 4.225 4.340 0.002 0.000 0.242 469 R C 0.555 176.641 176.300 -0.356 0.000 1.145 469 R CA 1.555 57.554 56.100 -0.168 0.000 0.984 469 R CB -0.398 29.834 30.300 -0.113 0.000 0.869 469 R HN 0.164 nan 8.270 nan 0.000 0.455 470 F N -0.153 119.769 119.950 -0.046 0.000 2.772 470 F HA 0.291 4.819 4.527 0.001 0.000 0.302 470 F C 0.545 176.315 175.800 -0.051 0.000 1.136 470 F CA -0.044 57.910 58.000 -0.077 0.000 1.322 470 F CB 0.355 39.310 39.000 -0.075 0.000 0.967 470 F HN -0.126 nan 8.300 nan 0.000 0.513 471 S N 0.774 116.499 115.700 0.041 0.000 3.635 471 S HA -0.192 4.279 4.470 0.002 0.000 0.328 471 S C -0.005 174.626 174.600 0.052 0.000 1.135 471 S CA 0.320 58.556 58.200 0.060 0.000 0.942 471 S CB -1.861 61.415 63.200 0.127 0.000 0.930 471 S HN 0.294 nan 8.310 nan 0.000 0.512 472 L N 0.524 121.766 121.223 0.030 0.000 2.334 472 L HA 0.520 4.861 4.340 0.002 0.000 0.272 472 L C 0.378 177.200 176.870 -0.079 0.000 1.020 472 L CA -0.841 53.986 54.840 -0.022 0.000 0.812 472 L CB 1.028 43.064 42.059 -0.038 0.000 1.264 472 L HN 0.052 nan 8.230 nan 0.000 0.439 473 K N 3.310 123.639 120.400 -0.118 0.000 2.339 473 K HA 0.279 4.600 4.320 0.002 0.000 0.286 473 K C -2.312 174.145 176.600 -0.239 0.000 1.050 473 K CA -1.391 54.816 56.287 -0.134 0.000 0.956 473 K CB 0.885 33.327 32.500 -0.096 0.000 0.990 473 K HN 0.194 nan 8.250 nan 0.000 0.475 474 P HA -0.068 nan 4.420 nan 0.000 0.269 474 P C -0.988 176.197 177.300 -0.192 0.000 1.215 474 P CA 0.257 63.237 63.100 -0.200 0.000 0.780 474 P CB 0.254 31.892 31.700 -0.104 0.000 0.898 475 Y N 0.044 120.297 120.300 -0.078 0.000 2.309 475 Y HA 0.112 4.663 4.550 0.001 0.000 0.327 475 Y C 2.091 177.916 175.900 -0.125 0.000 1.172 475 Y CA 0.014 58.053 58.100 -0.102 0.000 1.280 475 Y CB 0.715 39.090 38.460 -0.141 0.000 1.234 475 Y HN 0.376 nan 8.280 nan 0.000 0.512 476 T N -2.702 111.901 114.554 0.082 0.000 3.040 476 T HA 0.177 4.528 4.350 0.002 0.000 0.250 476 T C 0.098 174.774 174.700 -0.040 0.000 1.058 476 T CA 0.271 62.373 62.100 0.003 0.000 0.988 476 T CB -0.051 68.827 68.868 0.016 0.000 0.993 476 T HN 0.498 nan 8.240 nan 0.000 0.519 477 S N -0.802 114.851 115.700 -0.078 0.000 2.552 477 S HA 0.526 4.997 4.470 0.002 0.000 0.272 477 S C -0.216 174.269 174.600 -0.192 0.000 1.150 477 S CA -0.929 57.207 58.200 -0.105 0.000 0.849 477 S CB 0.164 63.366 63.200 0.005 0.000 1.113 477 S HN -0.063 nan 8.310 nan 0.000 0.458 478 F N 1.229 121.149 119.950 -0.050 0.000 2.269 478 F HA 0.057 4.584 4.527 0.001 0.000 0.301 478 F C 2.520 178.244 175.800 -0.126 0.000 1.082 478 F CA 1.461 59.404 58.000 -0.095 0.000 1.360 478 F CB -0.201 38.769 39.000 -0.050 0.000 1.041 478 F HN 0.710 nan 8.300 nan 0.000 0.512 479 E N -0.066 120.181 120.200 0.080 0.000 2.150 479 E HA -0.214 4.137 4.350 0.002 0.000 0.193 479 E C 2.113 178.670 176.600 -0.071 0.000 0.985 479 E CA 0.830 57.236 56.400 0.010 0.000 0.814 479 E CB -0.164 29.551 29.700 0.025 0.000 0.752 479 E HN 0.500 nan 8.360 nan 0.000 0.466 480 E N 0.645 120.781 120.200 -0.108 0.000 2.106 480 E HA -0.190 4.161 4.350 0.002 0.000 0.192 480 E C 2.189 178.533 176.600 -0.426 0.000 0.984 480 E CA 0.494 56.803 56.400 -0.152 0.000 0.806 480 E CB 0.091 29.764 29.700 -0.044 0.000 0.750 480 E HN 0.102 nan 8.360 nan 0.000 0.458 481 L N 0.681 121.511 121.223 -0.655 0.000 2.005 481 L HA -0.135 4.206 4.340 0.002 0.000 0.207 481 L C 2.545 179.147 176.870 -0.447 0.000 1.072 481 L CA 2.664 56.917 54.840 -0.979 0.000 0.744 481 L CB -0.934 40.701 42.059 -0.706 0.000 0.895 481 L HN 0.194 nan 8.230 nan 0.000 0.433 482 T N -3.580 110.836 114.554 -0.230 0.000 3.043 482 T HA 0.216 4.567 4.350 0.002 0.000 0.263 482 T C 1.562 176.203 174.700 -0.097 0.000 1.094 482 T CA 0.535 62.560 62.100 -0.125 0.000 1.127 482 T CB -0.482 68.349 68.868 -0.062 0.000 0.905 482 T HN 0.842 nan 8.240 nan 0.000 0.490 483 G N 1.621 110.363 108.800 -0.097 0.000 2.143 483 G HA2 -0.131 3.830 3.960 0.002 0.000 0.248 483 G HA3 -0.131 3.830 3.960 0.002 0.000 0.248 483 G C -0.178 174.700 174.900 -0.038 0.000 0.991 483 G CA 0.639 45.703 45.100 -0.058 0.000 0.689 483 G HN 1.042 nan 8.290 nan 0.000 0.522 484 E N -2.474 117.705 120.200 -0.035 0.000 2.408 484 E HA 0.766 5.117 4.350 0.002 0.000 0.266 484 E C 0.702 177.294 176.600 -0.013 0.000 1.025 484 E CA -0.741 55.646 56.400 -0.023 0.000 0.881 484 E CB 0.095 29.779 29.700 -0.027 0.000 1.660 484 E HN 0.006 nan 8.360 nan 0.000 0.458 485 K N -0.339 120.055 120.400 -0.011 0.000 2.344 485 K HA 0.141 4.462 4.320 0.002 0.000 0.200 485 K C 1.663 178.256 176.600 -0.011 0.000 1.132 485 K CA 0.466 56.749 56.287 -0.006 0.000 0.935 485 K CB 0.326 32.823 32.500 -0.004 0.000 1.089 485 K HN 0.585 nan 8.250 nan 0.000 0.496 486 E N 1.872 122.062 120.200 -0.016 0.000 2.012 486 E HA -0.164 4.187 4.350 0.002 0.000 0.197 486 E C 2.075 178.659 176.600 -0.026 0.000 1.007 486 E CA 1.501 57.889 56.400 -0.021 0.000 0.816 486 E CB 0.028 29.716 29.700 -0.021 0.000 0.762 486 E HN 0.125 nan 8.360 nan 0.000 0.451 487 M N 0.139 119.725 119.600 -0.024 0.000 2.117 487 M HA -0.142 4.339 4.480 0.002 0.000 0.262 487 M C 2.469 178.752 176.300 -0.028 0.000 1.065 487 M CA 1.399 56.684 55.300 -0.025 0.000 1.114 487 M CB -0.227 32.360 32.600 -0.021 0.000 1.361 487 M HN 0.270 nan 8.290 nan 0.000 0.408 488 A N 0.569 123.384 122.820 -0.008 0.000 1.917 488 A HA -0.155 4.166 4.320 0.002 0.000 0.219 488 A C 2.357 179.907 177.584 -0.056 0.000 1.182 488 A CA 2.180 54.233 52.037 0.025 0.000 0.633 488 A CB -1.000 18.037 19.000 0.062 0.000 0.819 488 A HN 0.523 nan 8.150 nan 0.000 0.448 489 A N -0.531 122.259 122.820 -0.050 0.000 1.930 489 A HA -0.154 4.167 4.320 0.002 0.000 0.217 489 A C 1.935 179.447 177.584 -0.120 0.000 1.175 489 A CA 1.601 53.594 52.037 -0.073 0.000 0.627 489 A CB -0.495 18.481 19.000 -0.040 0.000 0.815 489 A HN 0.646 nan 8.150 nan 0.000 0.443 490 E N -0.306 119.834 120.200 -0.100 0.000 2.106 490 E HA -0.119 4.232 4.350 0.002 0.000 0.192 490 E C 1.931 178.441 176.600 -0.150 0.000 0.984 490 E CA 0.970 57.311 56.400 -0.099 0.000 0.806 490 E CB -0.236 29.427 29.700 -0.061 0.000 0.750 490 E HN 0.629 nan 8.360 nan 0.000 0.458 491 L N 0.781 121.880 121.223 -0.206 0.000 2.027 491 L HA -0.185 4.156 4.340 0.002 0.000 0.206 491 L C 2.576 179.006 176.870 -0.734 0.000 1.074 491 L CA 1.164 55.821 54.840 -0.306 0.000 0.745 491 L CB -0.283 41.609 42.059 -0.278 0.000 0.898 491 L HN 0.012 nan 8.230 nan 0.000 0.433 492 K N 0.434 120.262 120.400 -0.954 0.000 2.063 492 K HA -0.204 4.117 4.320 0.002 0.000 0.208 492 K C 2.073 178.475 176.600 -0.330 0.000 1.048 492 K CA 1.503 57.298 56.287 -0.818 0.000 0.928 492 K CB -0.181 32.131 32.500 -0.314 0.000 0.713 492 K HN 0.261 nan 8.250 nan 0.000 0.442 493 A N 0.707 123.390 122.820 -0.228 0.000 1.883 493 A HA -0.132 4.189 4.320 0.002 0.000 0.217 493 A C 2.146 179.651 177.584 -0.132 0.000 1.186 493 A CA 1.633 53.590 52.037 -0.132 0.000 0.624 493 A CB -0.644 18.293 19.000 -0.105 0.000 0.822 493 A HN 0.335 nan 8.150 nan 0.000 0.444 494 L N -2.780 118.340 121.223 -0.172 0.000 2.072 494 L HA -0.114 4.227 4.340 0.002 0.000 0.205 494 L C 2.426 179.122 176.870 -0.290 0.000 1.079 494 L CA 1.237 55.934 54.840 -0.239 0.000 0.752 494 L CB -0.362 41.515 42.059 -0.304 0.000 0.906 494 L HN 0.497 nan 8.230 nan 0.000 0.436 495 Y N -1.664 118.569 120.300 -0.112 0.000 2.479 495 Y HA -0.003 4.548 4.550 0.002 0.000 0.283 495 Y C 2.041 177.996 175.900 0.091 0.000 1.109 495 Y CA 0.540 58.660 58.100 0.033 0.000 1.239 495 Y CB 0.451 39.024 38.460 0.189 0.000 1.108 495 Y HN 0.093 nan 8.280 nan 0.000 0.548 496 S N -1.224 114.580 115.700 0.174 0.000 1.539 496 S HA -0.264 4.207 4.470 0.002 0.000 0.239 496 S C -0.085 174.710 174.600 0.325 0.000 0.755 496 S CA 1.581 59.888 58.200 0.178 0.000 1.322 496 S CB -1.234 62.039 63.200 0.122 0.000 1.628 496 S HN 0.509 nan 8.310 nan 0.000 0.515 497 D N 0.303 120.930 120.400 0.379 0.000 2.375 497 D HA 0.603 5.244 4.640 0.002 0.000 0.247 497 D C 0.599 177.046 176.300 0.245 0.000 1.061 497 D CA -0.473 53.699 54.000 0.285 0.000 0.834 497 D CB 1.408 42.306 40.800 0.163 0.000 1.247 497 D HN 0.139 nan 8.370 nan 0.000 0.489 498 I N 2.765 123.257 120.570 -0.129 0.000 2.361 498 I HA -0.168 4.003 4.170 0.002 0.000 0.251 498 I C 1.051 177.012 176.117 -0.259 0.000 1.133 498 I CA 1.407 62.300 61.300 -0.678 0.000 1.413 498 I CB 0.083 37.663 38.000 -0.699 0.000 1.073 498 I HN 0.331 nan 8.210 nan 0.000 0.424 499 D N -0.195 120.150 120.400 -0.092 0.000 2.392 499 D HA -0.023 4.618 4.640 0.002 0.000 0.228 499 D C 1.777 178.087 176.300 0.017 0.000 1.003 499 D CA 0.676 54.656 54.000 -0.033 0.000 0.917 499 D CB 0.224 41.017 40.800 -0.012 0.000 0.890 499 D HN 0.304 nan 8.370 nan 0.000 0.532 500 V N 0.264 120.214 119.914 0.059 0.000 3.528 500 V HA 0.117 4.238 4.120 0.002 0.000 0.294 500 V C 0.582 176.733 176.094 0.096 0.000 1.404 500 V CA -0.274 62.106 62.300 0.133 0.000 1.065 500 V CB 0.135 32.093 31.823 0.225 0.000 0.904 500 V HN 0.077 nan 8.190 nan 0.000 0.435 501 M N 1.570 121.125 119.600 -0.075 0.000 2.249 501 M HA 0.160 4.641 4.480 0.002 0.000 0.340 501 M C 0.227 176.439 176.300 -0.146 0.000 1.166 501 M CA 0.398 55.491 55.300 -0.346 0.000 1.115 501 M CB -0.131 32.299 32.600 -0.282 0.000 1.606 501 M HN 0.281 nan 8.290 nan 0.000 0.448 502 E N 3.200 123.300 120.200 -0.165 0.000 2.277 502 E HA 0.139 4.490 4.350 0.002 0.000 0.274 502 E C 0.552 177.196 176.600 0.073 0.000 1.022 502 E CA -0.540 55.899 56.400 0.064 0.000 0.853 502 E CB 1.155 30.955 29.700 0.167 0.000 1.086 502 E HN 0.775 nan 8.360 nan 0.000 0.397 503 L N 3.468 124.780 121.223 0.149 0.000 1.976 503 L HA -0.237 4.104 4.340 0.002 0.000 0.209 503 L C 2.090 179.023 176.870 0.105 0.000 1.071 503 L CA 1.897 56.810 54.840 0.122 0.000 0.746 503 L CB -0.630 41.490 42.059 0.102 0.000 0.890 503 L HN 0.712 nan 8.230 nan 0.000 0.432 504 Y N 1.009 121.326 120.300 0.029 0.000 2.097 504 Y HA -0.144 4.406 4.550 0.001 0.000 0.282 504 Y C -0.590 175.334 175.900 0.041 0.000 1.152 504 Y CA 1.987 60.102 58.100 0.025 0.000 1.136 504 Y CB -1.919 36.539 38.460 -0.003 0.000 0.975 504 Y HN 0.265 nan 8.280 nan 0.000 0.498 505 P HA -0.150 nan 4.420 nan 0.000 0.216 505 P C 1.565 178.759 177.300 -0.176 0.000 1.153 505 P CA 2.508 65.470 63.100 -0.230 0.000 0.848 505 P CB -0.408 31.301 31.700 0.016 0.000 0.787 506 A N -0.328 122.438 122.820 -0.090 0.000 1.917 506 A HA -0.197 4.124 4.320 0.002 0.000 0.219 506 A C 2.245 179.786 177.584 -0.072 0.000 1.182 506 A CA 1.611 53.613 52.037 -0.059 0.000 0.633 506 A CB -1.774 17.220 19.000 -0.009 0.000 0.819 506 A HN 0.129 nan 8.150 nan 0.000 0.448 507 L N -0.788 120.377 121.223 -0.097 0.000 2.083 507 L HA -0.133 4.208 4.340 0.002 0.000 0.209 507 L C 2.160 178.960 176.870 -0.117 0.000 1.083 507 L CA 0.878 55.663 54.840 -0.092 0.000 0.752 507 L CB -0.342 41.674 42.059 -0.071 0.000 0.899 507 L HN 0.371 nan 8.230 nan 0.000 0.433 508 L N -1.573 119.535 121.223 -0.191 0.000 2.558 508 L HA -0.016 4.325 4.340 0.002 0.000 0.225 508 L C 1.781 178.590 176.870 -0.101 0.000 1.128 508 L CA 0.131 54.881 54.840 -0.150 0.000 0.868 508 L CB 0.293 42.215 42.059 -0.228 0.000 1.006 508 L HN 0.078 nan 8.230 nan 0.000 0.454 509 V N -1.106 118.751 119.914 -0.095 0.000 3.604 509 V HA 0.070 4.191 4.120 0.002 0.000 0.277 509 V C 1.080 177.131 176.094 -0.071 0.000 1.399 509 V CA -0.068 62.190 62.300 -0.070 0.000 1.034 509 V CB 0.701 32.492 31.823 -0.054 0.000 0.824 509 V HN 0.293 nan 8.190 nan 0.000 0.439 510 E N 1.979 122.137 120.200 -0.070 0.000 2.442 510 E HA -0.069 4.282 4.350 0.002 0.000 0.262 510 E C 0.348 176.909 176.600 -0.065 0.000 1.004 510 E CA -0.074 56.283 56.400 -0.071 0.000 0.928 510 E CB 0.410 30.097 29.700 -0.021 0.000 0.937 510 E HN 0.296 nan 8.360 nan 0.000 0.446 511 K N 5.643 125.995 120.400 -0.079 0.000 2.419 511 K HA 0.084 4.405 4.320 0.002 0.000 0.282 511 K C -2.286 174.291 176.600 -0.039 0.000 1.056 511 K CA -1.251 55.001 56.287 -0.060 0.000 1.035 511 K CB 0.367 32.831 32.500 -0.059 0.000 0.921 511 K HN 0.209 nan 8.250 nan 0.000 0.472 512 P HA 0.060 nan 4.420 nan 0.000 0.274 512 P C -0.516 176.752 177.300 -0.054 0.000 1.260 512 P CA -0.205 62.861 63.100 -0.058 0.000 0.793 512 P CB 0.524 32.172 31.700 -0.088 0.000 1.048 513 R N 0.401 120.854 120.500 -0.078 0.000 2.546 513 R HA 0.309 4.650 4.340 0.002 0.000 0.266 513 R C -2.074 174.209 176.300 -0.029 0.000 1.086 513 R CA -1.833 54.224 56.100 -0.071 0.000 1.160 513 R CB -0.793 29.385 30.300 -0.203 0.000 1.138 513 R HN 0.341 nan 8.270 nan 0.000 0.567 514 P HA -0.149 nan 4.420 nan 0.000 0.247 514 P C -0.945 176.344 177.300 -0.019 0.000 1.141 514 P CA 0.971 64.089 63.100 0.030 0.000 0.858 514 P CB -0.070 31.684 31.700 0.089 0.000 0.804 515 D N -0.015 120.353 120.400 -0.053 0.000 2.837 515 D HA -0.207 4.434 4.640 0.002 0.000 0.230 515 D C 0.320 176.536 176.300 -0.139 0.000 1.152 515 D CA 1.406 55.350 54.000 -0.092 0.000 0.736 515 D CB -1.046 39.705 40.800 -0.081 0.000 1.084 515 D HN 0.458 nan 8.370 nan 0.000 0.429 516 A N -0.074 122.657 122.820 -0.148 0.000 2.281 516 A HA 0.690 5.011 4.320 0.002 0.000 0.329 516 A C 1.260 178.661 177.584 -0.304 0.000 1.122 516 A CA -0.444 51.458 52.037 -0.225 0.000 0.850 516 A CB 1.181 20.079 19.000 -0.169 0.000 1.207 516 A HN 0.152 nan 8.150 nan 0.000 0.495 517 I N -1.080 119.191 120.570 -0.497 0.000 2.716 517 I HA 0.158 4.329 4.170 0.002 0.000 0.259 517 I C -0.621 175.167 176.117 -0.550 0.000 1.172 517 I CA 0.632 61.538 61.300 -0.657 0.000 1.478 517 I CB -0.073 37.289 38.000 -1.062 0.000 1.104 517 I HN 0.473 nan 8.210 nan 0.000 0.439 518 F N -0.202 119.570 119.950 -0.297 0.000 2.618 518 F HA 0.669 5.197 4.527 0.002 0.000 0.332 518 F C 0.758 176.440 175.800 -0.197 0.000 1.061 518 F CA -1.217 56.624 58.000 -0.264 0.000 0.974 518 F CB 0.477 39.303 39.000 -0.289 0.000 1.310 518 F HN -0.253 nan 8.300 nan 0.000 0.491 519 G N -0.608 108.239 108.800 0.078 0.000 2.521 519 G HA2 0.315 4.276 3.960 0.002 0.000 0.323 519 G HA3 0.315 4.276 3.960 0.002 0.000 0.323 519 G C 0.507 175.406 174.900 -0.003 0.000 1.211 519 G CA -0.398 44.707 45.100 0.009 0.000 0.979 519 G HN 0.714 nan 8.290 nan 0.000 0.490 520 E N -0.708 119.493 120.200 0.003 0.000 2.065 520 E HA -0.215 4.136 4.350 0.002 0.000 0.201 520 E C 2.297 178.890 176.600 -0.012 0.000 1.016 520 E CA 2.110 58.508 56.400 -0.003 0.000 0.818 520 E CB -0.243 29.471 29.700 0.023 0.000 0.749 520 E HN 0.460 nan 8.360 nan 0.000 0.453 521 T N 0.932 115.487 114.554 0.002 0.000 2.720 521 T HA -0.235 4.116 4.350 0.002 0.000 0.268 521 T C 1.725 176.372 174.700 -0.089 0.000 1.037 521 T CA 1.784 63.865 62.100 -0.031 0.000 1.144 521 T CB -0.281 68.597 68.868 0.016 0.000 0.864 521 T HN 0.219 nan 8.240 nan 0.000 0.444 522 M N 1.070 120.602 119.600 -0.113 0.000 2.086 522 M HA -0.040 4.441 4.480 0.002 0.000 0.261 522 M C 2.116 178.310 176.300 -0.176 0.000 1.067 522 M CA 1.443 56.614 55.300 -0.214 0.000 1.116 522 M CB -0.552 31.768 32.600 -0.466 0.000 1.348 522 M HN 0.062 nan 8.290 nan 0.000 0.407 523 V N 0.353 120.205 119.914 -0.105 0.000 2.307 523 V HA -0.204 3.917 4.120 0.002 0.000 0.245 523 V C 2.371 178.457 176.094 -0.014 0.000 1.045 523 V CA 1.801 64.093 62.300 -0.013 0.000 1.024 523 V CB -0.958 30.895 31.823 0.049 0.000 0.651 523 V HN 0.432 nan 8.190 nan 0.000 0.449 524 E N -0.064 120.109 120.200 -0.045 0.000 2.204 524 E HA -0.059 4.292 4.350 0.002 0.000 0.194 524 E C 2.131 178.586 176.600 -0.241 0.000 0.989 524 E CA 0.826 57.190 56.400 -0.060 0.000 0.824 524 E CB -0.066 29.629 29.700 -0.009 0.000 0.756 524 E HN 0.477 nan 8.360 nan 0.000 0.477 525 L N -0.719 120.268 121.223 -0.393 0.000 2.168 525 L HA 0.092 4.433 4.340 0.002 0.000 0.203 525 L C 2.315 178.943 176.870 -0.405 0.000 1.078 525 L CA 1.163 55.495 54.840 -0.846 0.000 0.780 525 L CB -0.819 40.865 42.059 -0.625 0.000 0.939 525 L HN 0.141 nan 8.230 nan 0.000 0.451 526 G N -0.133 108.661 108.800 -0.011 0.000 2.403 526 G HA2 -0.134 3.827 3.960 0.002 0.000 0.216 526 G HA3 -0.134 3.827 3.960 0.002 0.000 0.216 526 G C 1.797 176.804 174.900 0.178 0.000 1.154 526 G CA 0.773 46.059 45.100 0.310 0.000 0.784 526 G HN 0.399 nan 8.290 nan 0.000 0.538 527 A N 1.894 124.757 122.820 0.071 0.000 1.873 527 A HA -0.012 4.309 4.320 0.002 0.000 0.218 527 A C 0.796 178.372 177.584 -0.013 0.000 1.193 527 A CA 2.146 54.227 52.037 0.073 0.000 0.629 527 A CB -1.283 17.758 19.000 0.068 0.000 0.826 527 A HN 0.384 nan 8.150 nan 0.000 0.447 528 P HA -0.115 nan 4.420 nan 0.000 0.217 528 P C 1.207 178.382 177.300 -0.208 0.000 1.150 528 P CA 1.059 64.054 63.100 -0.174 0.000 0.832 528 P CB -0.228 31.338 31.700 -0.223 0.000 0.787 529 F N -0.384 119.409 119.950 -0.261 0.000 2.146 529 F HA -0.154 4.374 4.527 0.001 0.000 0.298 529 F C 2.760 178.171 175.800 -0.649 0.000 1.096 529 F CA 1.262 58.895 58.000 -0.612 0.000 1.275 529 F CB -0.779 37.443 39.000 -1.297 0.000 1.008 529 F HN -0.032 nan 8.300 nan 0.000 0.480 530 S N 0.712 116.272 115.700 -0.232 0.000 2.355 530 S HA -0.194 4.277 4.470 0.002 0.000 0.222 530 S C 2.084 176.722 174.600 0.063 0.000 1.031 530 S CA 1.243 59.467 58.200 0.040 0.000 0.993 530 S CB -0.587 62.788 63.200 0.293 0.000 0.859 530 S HN 0.309 nan 8.310 nan 0.000 0.453 531 L N 1.868 123.127 121.223 0.061 0.000 2.042 531 L HA -0.042 4.299 4.340 0.002 0.000 0.210 531 L C 2.235 179.185 176.870 0.133 0.000 1.076 531 L CA 2.011 56.904 54.840 0.089 0.000 0.749 531 L CB -0.849 41.254 42.059 0.075 0.000 0.893 531 L HN 0.166 nan 8.230 nan 0.000 0.432 532 K N -0.161 120.297 120.400 0.097 0.000 2.097 532 K HA -0.037 4.284 4.320 0.002 0.000 0.206 532 K C 1.996 178.631 176.600 0.059 0.000 1.049 532 K CA 1.260 57.611 56.287 0.106 0.000 0.933 532 K CB -0.700 31.803 32.500 0.005 0.000 0.717 532 K HN 0.601 nan 8.250 nan 0.000 0.442 533 G N 0.806 109.590 108.800 -0.027 0.000 2.448 533 G HA2 -0.139 3.822 3.960 0.002 0.000 0.218 533 G HA3 -0.139 3.822 3.960 0.002 0.000 0.218 533 G C 1.408 176.304 174.900 -0.007 0.000 1.135 533 G CA 0.196 45.235 45.100 -0.101 0.000 0.784 533 G HN 0.026 nan 8.290 nan 0.000 0.543 534 L N 0.184 121.447 121.223 0.067 0.000 2.121 534 L HA 0.287 4.628 4.340 0.002 0.000 0.200 534 L C 2.754 179.703 176.870 0.130 0.000 1.077 534 L CA 0.997 55.887 54.840 0.083 0.000 0.766 534 L CB -0.876 41.225 42.059 0.070 0.000 0.931 534 L HN 0.111 nan 8.230 nan 0.000 0.452 535 M N -0.709 118.993 119.600 0.170 0.000 2.419 535 M HA 0.080 4.561 4.480 0.002 0.000 0.264 535 M C 1.899 178.473 176.300 0.456 0.000 1.082 535 M CA 0.922 56.349 55.300 0.211 0.000 1.119 535 M CB -1.657 30.910 32.600 -0.055 0.000 1.398 535 M HN 0.295 nan 8.290 nan 0.000 0.453 536 G N 0.666 109.737 108.800 0.451 0.000 2.848 536 G HA2 -0.109 3.852 3.960 0.002 0.000 0.208 536 G HA3 -0.109 3.852 3.960 0.002 0.000 0.208 536 G C 0.708 175.806 174.900 0.329 0.000 1.152 536 G CA -0.198 45.153 45.100 0.419 0.000 0.789 536 G HN 0.420 nan 8.290 nan 0.000 0.531 537 N N 1.008 119.869 118.700 0.269 0.000 2.518 537 N HA 0.076 4.817 4.740 0.002 0.000 0.266 537 N C -1.098 174.493 175.510 0.136 0.000 1.196 537 N CA -1.404 51.743 53.050 0.162 0.000 0.947 537 N CB 2.121 40.695 38.487 0.146 0.000 1.098 537 N HN -0.114 nan 8.380 nan 0.000 0.450 538 P HA -0.182 nan 4.420 nan 0.000 0.216 538 P C 1.482 178.553 177.300 -0.381 0.000 1.150 538 P CA 1.373 64.286 63.100 -0.311 0.000 0.843 538 P CB -0.204 31.165 31.700 -0.553 0.000 0.787 539 I N -3.502 117.013 120.570 -0.092 0.000 3.083 539 I HA -0.099 4.072 4.170 0.002 0.000 0.273 539 I C 1.510 177.924 176.117 0.495 0.000 1.297 539 I CA 1.250 62.745 61.300 0.325 0.000 1.452 539 I CB -0.968 37.384 38.000 0.586 0.000 1.078 539 I HN -0.159 nan 8.210 nan 0.000 0.484 540 C N 1.175 120.616 119.300 0.235 0.000 2.673 540 C HA 0.194 4.655 4.460 0.002 0.000 0.264 540 C C 1.772 176.772 174.990 0.017 0.000 1.304 540 C CA 0.317 59.417 59.018 0.137 0.000 1.727 540 C CB -1.404 26.473 27.740 0.229 0.000 1.932 540 C HN 0.722 nan 8.230 nan 0.000 0.563 541 S N 1.802 117.332 115.700 -0.283 0.000 2.592 541 S HA 0.215 4.686 4.470 0.002 0.000 0.271 541 S C -1.641 172.922 174.600 -0.061 0.000 1.326 541 S CA -0.624 57.183 58.200 -0.654 0.000 1.024 541 S CB 0.715 63.513 63.200 -0.669 0.000 0.921 541 S HN 0.066 nan 8.310 nan 0.000 0.527 542 P HA -0.147 nan 4.420 nan 0.000 0.216 542 P C 1.605 178.869 177.300 -0.060 0.000 1.157 542 P CA 1.166 64.017 63.100 -0.416 0.000 0.880 542 P CB 0.011 31.288 31.700 -0.706 0.000 0.791 543 Q N -2.010 117.781 119.800 -0.016 0.000 2.291 543 Q HA -0.143 4.198 4.340 0.002 0.000 0.206 543 Q C 1.975 177.976 176.000 0.001 0.000 0.976 543 Q CA 1.597 57.399 55.803 -0.001 0.000 0.875 543 Q CB -0.732 28.013 28.738 0.011 0.000 0.927 543 Q HN 0.490 nan 8.270 nan 0.000 0.450 544 Y N -2.418 117.893 120.300 0.018 0.000 2.441 544 Y HA 0.012 4.563 4.550 0.002 0.000 0.288 544 Y C 1.074 177.082 175.900 0.179 0.000 1.118 544 Y CA -0.383 57.745 58.100 0.047 0.000 1.215 544 Y CB 0.208 38.734 38.460 0.110 0.000 1.118 544 Y HN 0.155 nan 8.280 nan 0.000 0.547 545 W N 5.291 126.777 121.300 0.310 0.000 1.534 545 W HA 0.130 4.791 4.660 0.002 0.000 0.520 545 W C -0.677 175.992 176.519 0.250 0.000 0.682 545 W CA 0.429 58.030 57.345 0.426 0.000 2.176 545 W CB -0.632 29.145 29.460 0.528 0.000 1.620 545 W HN 0.100 nan 8.180 nan 0.000 0.206 546 K N 2.346 122.602 120.400 -0.239 0.000 2.546 546 K HA 0.364 4.685 4.320 0.002 0.000 0.264 546 K C -2.547 173.577 176.600 -0.792 0.000 0.937 546 K CA -1.640 54.333 56.287 -0.523 0.000 0.833 546 K CB 1.505 33.857 32.500 -0.246 0.000 1.378 546 K HN -0.281 nan 8.250 nan 0.000 0.432 547 P HA -0.325 nan 4.420 nan 0.000 0.217 547 P C 1.304 178.459 177.300 -0.241 0.000 1.162 547 P CA 2.295 65.010 63.100 -0.642 0.000 0.901 547 P CB -0.025 31.473 31.700 -0.336 0.000 0.793 548 S N -1.871 113.701 115.700 -0.214 0.000 2.420 548 S HA -0.179 4.292 4.470 0.002 0.000 0.237 548 S C 1.812 176.295 174.600 -0.195 0.000 1.023 548 S CA 2.010 60.135 58.200 -0.125 0.000 0.991 548 S CB -2.046 61.085 63.200 -0.116 0.000 0.792 548 S HN 0.162 nan 8.310 nan 0.000 0.488 549 T N 1.275 115.576 114.554 -0.421 0.000 2.915 549 T HA 0.089 4.439 4.350 0.002 0.000 0.269 549 T C 0.409 174.679 174.700 -0.716 0.000 1.071 549 T CA 0.975 62.666 62.100 -0.682 0.000 1.132 549 T CB -0.439 67.798 68.868 -1.053 0.000 0.878 549 T HN 0.628 nan 8.240 nan 0.000 0.479 550 F N 0.184 120.152 119.950 0.031 0.000 2.772 550 F HA 0.506 5.034 4.527 0.002 0.000 0.302 550 F C 1.538 177.462 175.800 0.208 0.000 1.136 550 F CA -0.687 57.396 58.000 0.138 0.000 1.322 550 F CB 0.023 39.133 39.000 0.183 0.000 0.967 550 F HN 0.144 nan 8.300 nan 0.000 0.513 551 G N 0.163 109.169 108.800 0.344 0.000 2.148 551 G HA2 0.102 4.063 3.960 0.002 0.000 0.254 551 G HA3 0.102 4.063 3.960 0.002 0.000 0.254 551 G C 0.589 175.704 174.900 0.359 0.000 0.981 551 G CA 0.083 45.472 45.100 0.482 0.000 0.670 551 G HN 1.288 nan 8.290 nan 0.000 0.528 552 G N -1.652 107.282 108.800 0.222 0.000 2.434 552 G HA2 0.279 4.240 3.960 0.002 0.000 0.671 552 G HA3 0.279 4.240 3.960 0.002 0.000 0.671 552 G C 0.317 175.303 174.900 0.144 0.000 1.280 552 G CA 0.557 45.739 45.100 0.137 0.000 0.975 552 G HN 0.469 nan 8.290 nan 0.000 0.510 553 E N -0.655 119.606 120.200 0.102 0.000 2.130 553 E HA -0.114 4.237 4.350 0.002 0.000 0.196 553 E C 2.864 179.550 176.600 0.143 0.000 0.998 553 E CA 1.593 58.078 56.400 0.142 0.000 0.806 553 E CB -0.440 29.311 29.700 0.085 0.000 0.738 553 E HN 0.479 nan 8.360 nan 0.000 0.459 554 V N 0.613 120.577 119.914 0.085 0.000 2.237 554 V HA -0.229 3.892 4.120 0.002 0.000 0.245 554 V C 2.407 178.563 176.094 0.102 0.000 1.046 554 V CA 2.169 64.504 62.300 0.058 0.000 1.007 554 V CB -1.150 30.674 31.823 0.001 0.000 0.638 554 V HN 0.367 nan 8.190 nan 0.000 0.445 555 G N -1.304 107.590 108.800 0.157 0.000 2.422 555 G HA2 -0.294 3.667 3.960 0.002 0.000 0.218 555 G HA3 -0.294 3.667 3.960 0.002 0.000 0.218 555 G C 1.540 176.571 174.900 0.219 0.000 1.146 555 G CA 0.814 46.039 45.100 0.208 0.000 0.769 555 G HN 0.425 nan 8.290 nan 0.000 0.547 556 F N 1.299 121.266 119.950 0.028 0.000 2.186 556 F HA 0.110 4.638 4.527 0.002 0.000 0.299 556 F C 2.449 178.178 175.800 -0.119 0.000 1.090 556 F CA 1.220 59.142 58.000 -0.131 0.000 1.307 556 F CB -0.128 38.826 39.000 -0.078 0.000 1.019 556 F HN 0.101 nan 8.300 nan 0.000 0.489 557 K N 0.273 120.684 120.400 0.018 0.000 2.148 557 K HA -0.126 4.195 4.320 0.002 0.000 0.204 557 K C 2.198 178.767 176.600 -0.051 0.000 1.050 557 K CA 1.277 57.527 56.287 -0.062 0.000 0.942 557 K CB -0.233 32.265 32.500 -0.004 0.000 0.724 557 K HN 0.287 nan 8.250 nan 0.000 0.446 558 I N 1.072 121.640 120.570 -0.005 0.000 2.208 558 I HA -0.333 3.838 4.170 0.002 0.000 0.245 558 I C 2.172 178.298 176.117 0.015 0.000 1.097 558 I CA 1.289 62.600 61.300 0.018 0.000 1.363 558 I CB -0.200 37.833 38.000 0.055 0.000 1.051 558 I HN 0.182 nan 8.210 nan 0.000 0.413 559 I N 0.658 121.210 120.570 -0.030 0.000 2.163 559 I HA -0.283 3.888 4.170 0.002 0.000 0.240 559 I C 1.885 178.028 176.117 0.044 0.000 1.081 559 I CA 1.366 62.673 61.300 0.013 0.000 1.353 559 I CB -0.536 37.413 38.000 -0.085 0.000 1.054 559 I HN 0.308 nan 8.210 nan 0.000 0.407 560 N N 0.421 119.061 118.700 -0.100 0.000 2.550 560 N HA -0.079 4.662 4.740 0.002 0.000 0.186 560 N C 1.349 176.851 175.510 -0.013 0.000 1.110 560 N CA 1.566 54.574 53.050 -0.071 0.000 0.912 560 N CB -0.065 38.267 38.487 -0.258 0.000 0.968 560 N HN 0.503 nan 8.380 nan 0.000 0.448 561 T N -3.531 111.020 114.554 -0.005 0.000 3.091 561 T HA 0.448 4.799 4.350 0.002 0.000 0.277 561 T C 0.593 175.305 174.700 0.020 0.000 0.996 561 T CA -0.518 61.584 62.100 0.004 0.000 0.897 561 T CB 0.350 69.212 68.868 -0.010 0.000 1.109 561 T HN 0.086 nan 8.240 nan 0.000 0.534 562 A N 2.037 124.885 122.820 0.047 0.000 2.498 562 A HA 0.623 4.944 4.320 0.002 0.000 0.239 562 A C 0.639 178.250 177.584 0.045 0.000 1.068 562 A CA -0.015 52.056 52.037 0.057 0.000 0.766 562 A CB -0.043 19.023 19.000 0.111 0.000 1.003 562 A HN 1.059 nan 8.150 nan 0.000 0.497 563 S N 1.214 116.921 115.700 0.012 0.000 2.596 563 S HA 0.443 4.914 4.470 0.002 0.000 0.270 563 S C 0.354 174.917 174.600 -0.062 0.000 1.155 563 S CA -0.141 58.048 58.200 -0.018 0.000 0.827 563 S CB 0.591 63.770 63.200 -0.036 0.000 1.130 563 S HN 1.099 nan 8.310 nan 0.000 0.467 564 I N 1.213 121.705 120.570 -0.130 0.000 2.454 564 I HA -0.043 4.128 4.170 0.002 0.000 0.254 564 I C 2.365 178.378 176.117 -0.173 0.000 1.156 564 I CA 1.882 63.064 61.300 -0.197 0.000 1.433 564 I CB -0.461 37.212 38.000 -0.544 0.000 1.082 564 I HN 0.902 nan 8.210 nan 0.000 0.432 565 Q N 0.010 119.717 119.800 -0.155 0.000 2.123 565 Q HA -0.107 4.234 4.340 0.002 0.000 0.199 565 Q C 2.197 178.122 176.000 -0.126 0.000 0.966 565 Q CA 2.171 57.898 55.803 -0.127 0.000 0.845 565 Q CB -0.306 28.377 28.738 -0.093 0.000 0.907 565 Q HN 0.512 nan 8.270 nan 0.000 0.439 566 S N 0.407 116.042 115.700 -0.107 0.000 2.368 566 S HA -0.113 4.358 4.470 0.002 0.000 0.224 566 S C 1.703 176.227 174.600 -0.126 0.000 1.029 566 S CA 1.052 59.190 58.200 -0.102 0.000 0.988 566 S CB -0.516 62.642 63.200 -0.070 0.000 0.838 566 S HN 0.453 nan 8.310 nan 0.000 0.462 567 L N 1.382 122.517 121.223 -0.146 0.000 2.013 567 L HA -0.112 4.229 4.340 0.002 0.000 0.212 567 L C 1.898 178.636 176.870 -0.220 0.000 1.073 567 L CA 1.694 56.400 54.840 -0.224 0.000 0.753 567 L CB -0.505 41.369 42.059 -0.309 0.000 0.890 567 L HN 0.163 nan 8.230 nan 0.000 0.432 568 I N -1.269 119.195 120.570 -0.177 0.000 2.233 568 I HA -0.247 3.924 4.170 0.002 0.000 0.243 568 I C 2.720 178.740 176.117 -0.161 0.000 1.093 568 I CA 1.404 62.605 61.300 -0.165 0.000 1.380 568 I CB -0.889 37.036 38.000 -0.126 0.000 1.067 568 I HN 0.510 nan 8.210 nan 0.000 0.413 569 c N 1.177 119.681 118.600 -0.159 0.000 2.398 569 c HA -0.217 4.354 4.570 0.002 0.000 0.276 569 c C 2.757 176.760 174.090 -0.145 0.000 1.222 569 c CA 1.484 57.714 56.329 -0.165 0.000 1.746 569 c CB -1.302 41.105 42.510 -0.172 0.000 2.039 569 c HN 0.530 nan 8.230 nan 0.000 0.470 570 N N 1.004 119.623 118.700 -0.136 0.000 2.396 570 N HA -0.026 4.715 4.740 0.002 0.000 0.180 570 N C 0.941 176.373 175.510 -0.130 0.000 1.028 570 N CA 1.044 54.022 53.050 -0.120 0.000 0.893 570 N CB -0.453 37.971 38.487 -0.106 0.000 0.967 570 N HN 0.689 nan 8.380 nan 0.000 0.440 571 N N -0.270 118.336 118.700 -0.156 0.000 2.159 571 N HA 0.103 4.844 4.740 0.002 0.000 0.217 571 N C -0.734 174.667 175.510 -0.182 0.000 1.223 571 N CA 0.096 53.044 53.050 -0.171 0.000 0.896 571 N CB 1.995 40.365 38.487 -0.196 0.000 1.064 571 N HN -0.103 nan 8.380 nan 0.000 0.518 572 V N 1.561 121.377 119.914 -0.164 0.000 2.444 572 V HA 0.205 4.326 4.120 0.002 0.000 0.294 572 V C 0.349 176.367 176.094 -0.126 0.000 1.022 572 V CA -1.173 61.034 62.300 -0.155 0.000 0.850 572 V CB 2.476 34.209 31.823 -0.150 0.000 0.992 572 V HN 0.001 nan 8.190 nan 0.000 0.426 573 K N 3.102 123.434 120.400 -0.113 0.000 2.491 573 K HA 0.284 4.605 4.320 0.002 0.000 0.279 573 K C 1.246 177.801 176.600 -0.075 0.000 1.026 573 K CA 1.456 57.692 56.287 -0.086 0.000 1.070 573 K CB -0.018 32.442 32.500 -0.067 0.000 0.887 573 K HN 1.172 nan 8.250 nan 0.000 0.481 574 G N 2.855 111.610 108.800 -0.075 0.000 2.217 574 G HA2 -0.340 3.621 3.960 0.002 0.000 0.246 574 G HA3 -0.340 3.621 3.960 0.002 0.000 0.246 574 G C 0.388 175.224 174.900 -0.107 0.000 0.990 574 G CA -0.142 44.916 45.100 -0.071 0.000 0.627 574 G HN 1.363 nan 8.290 nan 0.000 0.522 575 c N 0.951 119.473 118.600 -0.130 0.000 3.514 575 c HA -0.050 4.521 4.570 0.002 0.000 0.286 575 c C -0.802 173.152 174.090 -0.228 0.000 1.302 575 c CA -0.135 56.084 56.329 -0.184 0.000 2.239 575 c CB -1.851 40.533 42.510 -0.210 0.000 1.429 575 c HN 0.691 nan 8.230 nan 0.000 0.565 576 P HA 0.332 nan 4.420 nan 0.000 0.271 576 P C 0.146 177.381 177.300 -0.109 0.000 1.218 576 P CA 0.173 63.224 63.100 -0.083 0.000 0.780 576 P CB 0.294 31.982 31.700 -0.020 0.000 0.901 577 F N 0.814 120.744 119.950 -0.033 0.000 2.506 577 F HA 0.355 4.883 4.527 0.002 0.000 0.351 577 F C 1.592 177.368 175.800 -0.039 0.000 1.136 577 F CA 1.307 59.284 58.000 -0.038 0.000 1.298 577 F CB 0.546 39.528 39.000 -0.029 0.000 1.145 577 F HN 0.208 nan 8.300 nan 0.000 0.593 578 T N 0.914 115.544 114.554 0.126 0.000 2.802 578 T HA 0.613 4.964 4.350 0.002 0.000 0.311 578 T C -1.137 173.543 174.700 -0.033 0.000 1.405 578 T CA -0.315 61.810 62.100 0.041 0.000 1.016 578 T CB 1.311 70.176 68.868 -0.004 0.000 1.352 578 T HN 0.907 nan 8.240 nan 0.000 0.498 579 S N 0.728 116.379 115.700 -0.082 0.000 2.656 579 S HA 0.490 4.961 4.470 0.002 0.000 0.265 579 S C -0.611 173.890 174.600 -0.165 0.000 1.132 579 S CA -0.741 57.340 58.200 -0.198 0.000 0.819 579 S CB 0.055 63.202 63.200 -0.089 0.000 1.119 579 S HN 0.585 nan 8.310 nan 0.000 0.476 580 F N 1.697 121.581 119.950 -0.109 0.000 2.765 580 F HA 0.256 4.784 4.527 0.002 0.000 0.302 580 F C 0.923 176.424 175.800 -0.498 0.000 1.111 580 F CA -0.269 57.597 58.000 -0.223 0.000 1.359 580 F CB 0.110 38.939 39.000 -0.284 0.000 1.097 580 F HN 0.708 nan 8.300 nan 0.000 0.577 581 N N -1.482 117.111 118.700 -0.179 0.000 2.362 581 N HA 0.353 5.094 4.740 0.002 0.000 0.299 581 N C -1.121 174.386 175.510 -0.006 0.000 1.170 581 N CA -0.779 52.204 53.050 -0.111 0.000 0.825 581 N CB 1.533 40.024 38.487 0.006 0.000 1.299 581 N HN -0.272 nan 8.380 nan 0.000 0.502 582 V N 3.028 122.952 119.914 0.017 0.000 2.326 582 V HA 0.035 4.156 4.120 0.002 0.000 0.249 582 V C 0.251 176.353 176.094 0.012 0.000 1.114 582 V CA -0.226 62.091 62.300 0.028 0.000 1.028 582 V CB -1.409 30.436 31.823 0.036 0.000 1.170 582 V HN 0.859 nan 8.190 nan 0.000 0.494 583 Q N 0.000 119.803 119.800 0.005 0.000 2.315 583 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 583 Q CA 0.000 55.796 55.803 -0.011 0.000 1.022 583 Q CB 0.000 28.725 28.738 -0.022 0.000 1.108 583 Q HN 0.000 nan 8.270 nan 0.000 0.481