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 1cx2_1_C 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 QHFTHQFFKT 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 0.000 177.632 177.584 0.081 0.000 1.274 33 A CA 0.000 52.086 52.037 0.081 0.000 0.836 33 A CB 0.000 19.071 19.000 0.119 0.000 0.831 34 N N 2.997 121.736 118.700 0.065 0.000 1.939 34 N HA -0.106 nan 4.740 nan 0.000 0.301 34 N C 0.033 175.564 175.510 0.035 0.000 1.353 34 N CA -1.176 51.902 53.050 0.047 0.000 0.851 34 N CB 0.104 38.603 38.487 0.020 0.000 1.153 34 N HN -0.226 8.405 8.380 0.063 -0.213 0.496 35 P HA -0.177 nan 4.420 nan 0.000 0.223 35 P C -0.073 177.185 177.300 -0.070 0.000 1.144 35 P CA 1.736 64.871 63.100 0.059 0.000 0.783 35 P CB -0.043 31.758 31.700 0.168 0.000 0.771 36 c N -2.539 116.021 118.600 -0.066 0.000 2.697 36 c HA 0.160 nan 4.570 nan 0.000 0.267 36 c C 2.401 176.409 174.090 -0.137 0.000 1.278 36 c CA 0.748 56.983 56.329 -0.156 0.000 1.708 36 c CB -2.029 40.437 42.510 -0.073 0.000 1.860 36 c HN 0.053 8.591 8.230 -0.007 -0.312 0.589 37 c N 1.838 120.385 118.600 -0.088 0.000 2.398 37 c HA -0.357 nan 4.570 nan 0.000 0.276 37 c C 0.933 174.972 174.090 -0.085 0.000 1.222 37 c CA 4.053 60.343 56.329 -0.065 0.000 1.746 37 c CB -1.059 41.432 42.510 -0.031 0.000 2.039 37 c HN 0.261 8.267 8.230 -0.063 0.187 0.470 38 S N -1.849 113.783 115.700 -0.112 0.000 2.653 38 S HA -0.172 nan 4.470 nan 0.000 0.233 38 S C -0.190 174.323 174.600 -0.146 0.000 0.970 38 S CA 0.569 58.700 58.200 -0.114 0.000 0.947 38 S CB -0.203 62.929 63.200 -0.114 0.000 0.771 38 S HN -0.107 8.128 8.310 -0.125 0.000 0.538 39 N N 0.400 118.999 118.700 -0.168 0.000 2.716 39 N HA -0.276 nan 4.740 nan 0.000 0.250 39 N C -1.887 173.513 175.510 -0.183 0.000 1.033 39 N CA 0.531 53.483 53.050 -0.165 0.000 0.727 39 N CB -1.367 37.047 38.487 -0.122 0.000 0.950 39 N HN -0.200 7.888 8.380 -0.165 0.193 0.541 40 P HA -0.155 nan 4.420 nan 0.000 0.215 40 P C -0.145 177.104 177.300 -0.086 0.000 1.163 40 P CA 0.854 63.803 63.100 -0.251 0.000 0.894 40 P CB 0.421 31.694 31.700 -0.711 0.000 0.791 41 c N -0.684 117.884 118.600 -0.053 0.000 2.648 41 c HA -0.043 nan 4.570 nan 0.000 0.406 41 c C 0.369 174.439 174.090 -0.032 0.000 1.406 41 c CA -0.421 55.925 56.329 0.028 0.000 1.610 41 c CB -1.614 40.935 42.510 0.066 0.000 2.451 41 c HN -0.194 7.959 8.230 -0.129 0.000 0.608 42 Q N 4.946 124.719 119.800 -0.045 0.000 2.166 42 Q HA 0.158 nan 4.340 nan 0.000 0.226 42 Q C 0.165 176.096 176.000 -0.115 0.000 0.989 42 Q CA -1.831 53.908 55.803 -0.106 0.000 0.966 42 Q CB 1.586 30.233 28.738 -0.151 0.000 1.173 42 Q HN 0.811 8.962 8.270 -0.020 0.107 0.509 43 N N -1.258 117.333 118.700 -0.181 0.000 2.681 43 N HA -0.431 nan 4.740 nan 0.000 0.250 43 N C -0.600 174.910 175.510 -0.000 0.000 1.133 43 N CA 1.922 54.880 53.050 -0.154 0.000 0.732 43 N CB -0.855 37.430 38.487 -0.337 0.000 1.107 43 N HN 0.639 8.896 8.380 -0.204 0.000 0.559 44 R N -9.547 110.941 120.500 -0.020 0.000 3.004 44 R HA -0.267 nan 4.340 nan 0.000 0.465 44 R C -0.142 176.179 176.300 0.035 0.000 0.527 44 R CA 0.531 56.635 56.100 0.007 0.000 1.419 44 R CB -1.833 28.493 30.300 0.043 0.000 2.058 44 R HN 0.253 8.428 8.270 -0.056 0.062 0.353 45 G N 0.020 108.848 108.800 0.048 0.000 2.202 45 G HA2 -0.141 nan 3.960 nan 0.000 0.251 45 G HA3 -0.141 nan 3.960 nan 0.000 0.251 45 G C -0.489 174.451 174.900 0.066 0.000 1.219 45 G CA -0.034 45.108 45.100 0.071 0.000 0.943 45 G HN -0.468 7.777 8.290 0.038 0.068 0.465 46 E N 3.621 123.872 120.200 0.084 0.000 2.376 46 E HA -0.084 nan 4.350 nan 0.000 0.266 46 E C -0.284 176.380 176.600 0.107 0.000 1.009 46 E CA 0.758 57.217 56.400 0.098 0.000 0.902 46 E CB 1.418 31.196 29.700 0.130 0.000 0.972 46 E HN -0.337 8.076 8.360 0.087 0.000 0.439 47 c N 5.369 124.026 118.600 0.094 0.000 2.388 47 c HA 0.621 nan 4.570 nan 0.000 0.362 47 c C -1.059 173.116 174.090 0.141 0.000 1.266 47 c CA -1.231 55.177 56.329 0.131 0.000 2.028 47 c CB 0.371 42.897 42.510 0.028 0.000 2.440 47 c HN 0.395 8.663 8.230 0.063 0.000 0.547 48 M N 6.674 126.385 119.600 0.185 0.000 2.326 48 M HA 0.337 nan 4.480 nan 0.000 0.292 48 M C -1.488 174.904 176.300 0.154 0.000 1.081 48 M CA -1.978 53.410 55.300 0.147 0.000 0.919 48 M CB 4.655 37.323 32.600 0.114 0.000 1.634 48 M HN 0.838 9.279 8.290 0.251 0.000 0.451 49 S N 5.241 121.012 115.700 0.119 0.000 2.898 49 S HA 0.023 nan 4.470 nan 0.000 0.324 49 S C 0.465 175.094 174.600 0.050 0.000 1.171 49 S CA 0.599 58.855 58.200 0.093 0.000 1.288 49 S CB -0.922 62.307 63.200 0.048 0.000 1.490 49 S HN 0.494 8.869 8.310 0.108 0.000 0.570 50 T N -2.148 112.446 114.554 0.065 0.000 3.393 50 T HA 0.148 nan 4.350 nan 0.000 0.248 50 T C 0.042 174.763 174.700 0.035 0.000 0.992 50 T CA -0.793 61.326 62.100 0.033 0.000 0.929 50 T CB -1.044 67.836 68.868 0.021 0.000 1.065 50 T HN 0.015 8.240 8.240 0.104 0.077 0.597 51 G N 0.688 109.503 108.800 0.025 0.000 2.507 51 G HA2 -0.176 nan 3.960 nan 0.000 0.225 51 G HA3 -0.176 nan 3.960 nan 0.000 0.225 51 G C -0.897 174.152 174.900 0.248 0.000 1.078 51 G CA -0.011 45.141 45.100 0.086 0.000 0.939 51 G HN -0.255 7.946 8.290 -0.005 0.086 0.538 52 F N -1.698 118.285 119.950 0.055 0.000 2.542 52 F HA -0.542 nan 4.527 nan 0.000 0.713 52 F C -0.692 175.143 175.800 0.058 0.000 0.486 52 F CA 3.329 61.360 58.000 0.052 0.000 0.763 52 F CB -1.383 37.641 39.000 0.041 0.000 1.628 52 F HN 0.124 8.369 8.300 -0.092 0.000 0.270 53 D N -1.176 119.404 120.400 0.299 0.000 2.354 53 D HA -0.019 nan 4.640 nan 0.000 0.209 53 D C 0.126 176.527 176.300 0.170 0.000 1.015 53 D CA 0.582 54.694 54.000 0.187 0.000 0.867 53 D CB 0.607 41.489 40.800 0.136 0.000 0.933 53 D HN -0.204 8.302 8.370 0.345 0.071 0.520 54 Q N -1.940 117.959 119.800 0.164 0.000 2.306 54 Q HA 0.121 nan 4.340 nan 0.000 0.269 54 Q C -2.393 173.728 176.000 0.203 0.000 1.053 54 Q CA -1.044 54.843 55.803 0.140 0.000 0.879 54 Q CB 3.026 31.802 28.738 0.063 0.000 1.344 54 Q HN -0.628 7.638 8.270 0.169 0.105 0.464 55 Y N -5.655 114.667 120.300 0.036 0.000 2.656 55 Y HA 0.390 nan 4.550 nan 0.000 0.334 55 Y C -2.281 173.636 175.900 0.029 0.000 1.179 55 Y CA -1.758 56.361 58.100 0.031 0.000 1.050 55 Y CB 3.156 41.632 38.460 0.028 0.000 1.308 55 Y HN -0.196 8.015 8.280 -0.115 0.000 0.456 56 K N -0.715 119.705 120.400 0.033 0.000 2.469 56 K HA 0.437 nan 4.320 nan 0.000 0.254 56 K C -2.009 174.679 176.600 0.146 0.000 0.939 56 K CA -1.649 54.607 56.287 -0.052 0.000 0.812 56 K CB 5.045 37.534 32.500 -0.018 0.000 1.301 56 K HN 0.407 8.698 8.250 0.234 0.099 0.433 57 c N 1.522 120.189 118.600 0.111 0.000 2.273 57 c HA 0.396 nan 4.570 nan 0.000 0.328 57 c C 0.015 174.165 174.090 0.100 0.000 1.275 57 c CA -0.756 55.664 56.329 0.152 0.000 1.704 57 c CB -0.076 42.535 42.510 0.168 0.000 2.326 57 c HN 0.732 8.977 8.230 0.024 0.000 0.517 58 D N 5.942 126.402 120.400 0.099 0.000 2.558 58 D HA 0.173 nan 4.640 nan 0.000 0.221 58 D C 0.194 176.546 176.300 0.087 0.000 1.143 58 D CA -0.880 53.169 54.000 0.081 0.000 1.010 58 D CB -0.927 39.919 40.800 0.076 0.000 1.068 58 D HN 0.619 8.930 8.370 0.109 0.124 0.511 59 c N 1.141 119.799 118.600 0.097 0.000 2.485 59 c HA -0.061 nan 4.570 nan 0.000 0.283 59 c C -0.423 173.731 174.090 0.107 0.000 1.478 59 c CA 0.532 56.932 56.329 0.118 0.000 1.741 59 c CB -1.642 40.959 42.510 0.153 0.000 1.675 59 c HN -0.334 7.906 8.230 0.094 0.046 0.573 60 T N -1.802 112.800 114.554 0.079 0.000 2.905 60 T HA -0.252 nan 4.350 nan 0.000 0.299 60 T C 0.400 175.137 174.700 0.062 0.000 1.024 60 T CA 0.383 62.520 62.100 0.061 0.000 1.151 60 T CB -0.210 68.684 68.868 0.043 0.000 0.987 60 T HN -0.458 7.724 8.240 0.073 0.102 0.535 61 R N 0.099 120.631 120.500 0.053 0.000 3.651 61 R HA -0.248 nan 4.340 nan 0.000 0.292 61 R C -0.737 175.604 176.300 0.067 0.000 1.161 61 R CA 1.062 57.191 56.100 0.048 0.000 0.787 61 R CB -1.030 29.294 30.300 0.040 0.000 1.249 61 R HN 0.469 8.766 8.270 0.046 0.000 0.476 62 T N -6.723 107.888 114.554 0.095 0.000 2.870 62 T HA 0.371 nan 4.350 nan 0.000 0.277 62 T C 0.013 174.774 174.700 0.101 0.000 1.000 62 T CA -1.583 60.602 62.100 0.142 0.000 0.982 62 T CB 2.728 71.728 68.868 0.220 0.000 1.249 62 T HN -0.512 7.763 8.240 0.098 0.025 0.589 63 G N -1.057 107.795 108.800 0.087 0.000 3.233 63 G HA2 0.349 nan 3.960 nan 0.000 0.234 63 G HA3 0.349 nan 3.960 nan 0.000 0.234 63 G C -1.797 172.795 174.900 -0.512 0.000 1.137 63 G CA -0.152 44.802 45.100 -0.243 0.000 0.763 63 G HN 0.550 9.013 8.290 0.289 0.000 0.549 64 F N -0.041 119.953 119.950 0.073 0.000 2.593 64 F HA 0.769 nan 4.527 nan 0.000 0.320 64 F C -2.230 173.645 175.800 0.125 0.000 1.060 64 F CA -1.866 56.147 58.000 0.022 0.000 0.940 64 F CB 3.279 42.244 39.000 -0.059 0.000 1.268 64 F HN -0.517 7.887 8.300 0.304 0.078 0.475 65 Y N -4.739 115.667 120.300 0.177 0.000 2.876 65 Y HA 0.279 nan 4.550 nan 0.000 0.317 65 Y C -1.268 174.685 175.900 0.089 0.000 1.369 65 Y CA -2.253 55.906 58.100 0.099 0.000 1.101 65 Y CB 1.496 39.983 38.460 0.046 0.000 1.346 65 Y HN 0.827 8.801 8.280 -0.334 0.106 0.505 66 G N -2.419 106.526 108.800 0.241 0.000 2.777 66 G HA2 -0.299 nan 3.960 nan 0.000 0.686 66 G HA3 -0.299 nan 3.960 nan 0.000 0.686 66 G C 0.220 175.163 174.900 0.072 0.000 1.177 66 G CA -0.497 44.670 45.100 0.112 0.000 0.775 66 G HN 0.200 8.703 8.290 0.356 0.000 0.613 67 E N 3.164 123.393 120.200 0.047 0.000 2.370 67 E HA -0.503 nan 4.350 nan 0.000 0.232 67 E C -0.167 176.472 176.600 0.066 0.000 1.117 67 E CA 3.270 59.684 56.400 0.023 0.000 0.963 67 E CB -0.103 29.595 29.700 -0.003 0.000 0.810 67 E HN 0.564 8.951 8.360 0.045 0.000 0.464 68 N N -5.837 112.904 118.700 0.069 0.000 2.187 68 N HA 0.176 nan 4.740 nan 0.000 0.212 68 N C -1.350 174.183 175.510 0.039 0.000 1.152 68 N CA -1.064 52.036 53.050 0.083 0.000 0.872 68 N CB 0.892 39.415 38.487 0.060 0.000 1.025 68 N HN -0.238 8.116 8.380 0.042 0.051 0.514 69 c N -1.641 116.991 118.600 0.053 0.000 3.348 69 c HA -0.362 nan 4.570 nan 0.000 0.289 69 c C 0.064 174.129 174.090 -0.041 0.000 1.167 69 c CA 0.910 57.284 56.329 0.075 0.000 2.406 69 c CB -3.403 39.158 42.510 0.086 0.000 1.487 69 c HN 0.809 8.976 8.230 0.071 0.105 0.520 70 T N -5.454 109.072 114.554 -0.046 0.000 3.154 70 T HA 0.102 nan 4.350 nan 0.000 0.258 70 T C 0.166 174.884 174.700 0.030 0.000 0.899 70 T CA 0.372 62.355 62.100 -0.195 0.000 0.908 70 T CB 2.170 70.945 68.868 -0.156 0.000 1.260 70 T HN 0.067 8.302 8.240 -0.009 0.000 0.521 71 T N 4.623 119.142 114.554 -0.059 0.000 2.794 71 T HA 0.474 nan 4.350 nan 0.000 0.296 71 T C -2.236 172.266 174.700 -0.330 0.000 0.949 71 T CA -2.723 59.242 62.100 -0.226 0.000 1.101 71 T CB -0.258 68.323 68.868 -0.479 0.000 0.905 71 T HN -0.363 7.792 8.240 -0.142 0.000 0.516 72 P HA 0.454 nan 4.420 nan 0.000 0.278 72 P C -0.897 176.325 177.300 -0.129 0.000 1.258 72 P CA -1.140 61.741 63.100 -0.366 0.000 0.811 72 P CB 1.329 32.821 31.700 -0.347 0.000 1.063 73 E N -0.101 120.092 120.200 -0.012 0.000 2.319 73 E HA 0.092 nan 4.350 nan 0.000 0.268 73 E C 1.618 178.245 176.600 0.044 0.000 1.050 73 E CA -0.531 55.959 56.400 0.150 0.000 0.878 73 E CB 0.696 30.446 29.700 0.085 0.000 1.066 73 E HN -0.469 7.765 8.360 -0.209 0.000 0.406 74 F N 3.825 123.789 119.950 0.023 0.000 2.063 74 F HA -0.407 nan 4.527 nan 0.000 0.298 74 F C 2.071 177.852 175.800 -0.032 0.000 1.109 74 F CA 4.014 62.012 58.000 -0.003 0.000 1.212 74 F CB -0.330 38.673 39.000 0.005 0.000 0.973 74 F HN 0.607 9.022 8.300 0.192 0.000 0.480 75 L N -2.943 118.393 121.223 0.189 0.000 2.064 75 L HA -0.449 nan 4.340 nan 0.000 0.216 75 L C 1.433 178.318 176.870 0.026 0.000 1.077 75 L CA 3.484 58.369 54.840 0.075 0.000 0.766 75 L CB -0.851 41.224 42.059 0.026 0.000 0.890 75 L HN -0.001 8.340 8.230 0.185 0.000 0.435 76 T N 0.896 115.423 114.554 -0.044 0.000 2.595 76 T HA -0.428 nan 4.350 nan 0.000 0.264 76 T C 2.066 176.739 174.700 -0.044 0.000 1.058 76 T CA 4.450 66.465 62.100 -0.142 0.000 1.166 76 T CB -0.713 67.903 68.868 -0.419 0.000 0.863 76 T HN -0.489 7.715 8.240 -0.050 0.006 0.415 77 R N 1.109 121.605 120.500 -0.006 0.000 2.133 77 R HA -0.486 nan 4.340 nan 0.000 0.245 77 R C 2.160 178.522 176.300 0.104 0.000 1.137 77 R CA 3.477 59.617 56.100 0.066 0.000 0.947 77 R CB -0.579 29.787 30.300 0.110 0.000 0.865 77 R HN -0.572 7.679 8.270 -0.033 0.000 0.437 78 I N -1.084 119.566 120.570 0.134 0.000 2.151 78 I HA -0.475 nan 4.170 nan 0.000 0.243 78 I C 2.168 178.316 176.117 0.051 0.000 1.080 78 I CA 3.459 64.811 61.300 0.086 0.000 1.339 78 I CB -0.385 37.651 38.000 0.060 0.000 1.039 78 I HN -0.106 8.214 8.210 0.181 -0.002 0.409 79 K N -1.296 119.126 120.400 0.036 0.000 1.973 79 K HA -0.273 nan 4.320 nan 0.000 0.212 79 K C 2.355 178.983 176.600 0.047 0.000 1.047 79 K CA 2.937 59.242 56.287 0.030 0.000 0.937 79 K CB 0.209 32.715 32.500 0.011 0.000 0.721 79 K HN -0.404 7.788 8.250 0.031 0.077 0.440 80 L N -1.057 120.199 121.223 0.056 0.000 1.991 80 L HA -0.376 nan 4.340 nan 0.000 0.221 80 L C 2.166 179.078 176.870 0.070 0.000 1.079 80 L CA 3.029 57.917 54.840 0.080 0.000 0.778 80 L CB -0.417 41.705 42.059 0.106 0.000 0.893 80 L HN 0.225 8.481 8.230 0.043 0.000 0.437 81 L N -4.133 117.130 121.223 0.066 0.000 2.821 81 L HA -0.253 nan 4.340 nan 0.000 0.254 81 L C 0.736 177.634 176.870 0.048 0.000 1.151 81 L CA 1.901 56.776 54.840 0.059 0.000 0.937 81 L CB -0.925 41.173 42.059 0.065 0.000 1.141 81 L HN 0.108 8.380 8.230 0.070 0.000 0.425 82 L N -2.072 119.179 121.223 0.047 0.000 3.695 82 L HA 0.147 nan 4.340 nan 0.000 0.349 82 L C -1.286 175.609 176.870 0.042 0.000 1.304 82 L CA 0.269 55.130 54.840 0.036 0.000 1.078 82 L CB 1.771 43.847 42.059 0.028 0.000 1.440 82 L HN 0.021 8.075 8.230 0.053 0.208 0.620 83 K N 0.661 121.094 120.400 0.056 0.000 2.206 83 K HA 0.475 nan 4.320 nan 0.000 0.264 83 K C -2.047 174.597 176.600 0.073 0.000 0.967 83 K CA -2.697 53.632 56.287 0.070 0.000 0.844 83 K CB 0.945 33.497 32.500 0.087 0.000 1.099 83 K HN -0.231 7.970 8.250 0.058 0.084 0.441 84 P HA 0.093 nan 4.420 nan 0.000 0.292 84 P C -1.046 176.318 177.300 0.107 0.000 1.287 84 P CA -0.439 62.710 63.100 0.083 0.000 0.800 84 P CB 0.923 32.669 31.700 0.076 0.000 0.945 85 T N 5.205 119.819 114.554 0.100 0.000 2.939 85 T HA -0.020 nan 4.350 nan 0.000 0.312 85 T C 0.364 175.150 174.700 0.143 0.000 1.064 85 T CA -0.815 61.352 62.100 0.112 0.000 1.136 85 T CB -0.679 68.248 68.868 0.097 0.000 1.035 85 T HN 0.328 8.619 8.240 0.085 0.000 0.538 86 P HA -0.200 nan 4.420 nan 0.000 0.220 86 P C 0.634 178.072 177.300 0.230 0.000 1.144 86 P CA 2.525 65.739 63.100 0.190 0.000 0.800 86 P CB -0.053 31.750 31.700 0.172 0.000 0.772 87 N N -2.105 116.712 118.700 0.194 0.000 2.220 87 N HA -0.115 nan 4.740 nan 0.000 0.182 87 N C 1.591 177.256 175.510 0.258 0.000 1.023 87 N CA 3.351 56.530 53.050 0.216 0.000 0.856 87 N CB -0.523 38.049 38.487 0.142 0.000 0.997 87 N HN 0.305 8.728 8.380 0.157 0.051 0.429 88 T N -0.556 114.111 114.554 0.189 0.000 2.962 88 T HA -0.090 nan 4.350 nan 0.000 0.270 88 T C 2.248 177.083 174.700 0.225 0.000 1.088 88 T CA 3.141 65.344 62.100 0.173 0.000 1.127 88 T CB -0.489 68.440 68.868 0.100 0.000 0.883 88 T HN -0.534 7.705 8.240 0.154 0.093 0.493 89 V N 2.823 122.869 119.914 0.220 0.000 2.379 89 V HA -0.237 nan 4.120 nan 0.000 0.243 89 V C 1.349 177.573 176.094 0.216 0.000 1.035 89 V CA 4.415 66.833 62.300 0.196 0.000 1.035 89 V CB -0.763 31.167 31.823 0.179 0.000 0.673 89 V HN 0.346 8.597 8.190 0.213 0.068 0.457 90 H N 1.091 120.275 119.070 0.190 0.000 2.353 90 H HA -0.356 nan 4.556 nan 0.000 0.300 90 H C 1.618 177.103 175.328 0.262 0.000 1.090 90 H CA 4.191 60.354 56.048 0.192 0.000 1.327 90 H CB 0.366 30.256 29.762 0.214 0.000 1.383 90 H HN -0.367 7.932 8.280 0.365 0.200 0.508 91 Y N -0.336 120.202 120.300 0.397 0.000 2.030 91 Y HA -0.489 nan 4.550 nan 0.000 0.274 91 Y C 1.817 178.043 175.900 0.544 0.000 1.153 91 Y CA 4.236 62.612 58.100 0.459 0.000 1.115 91 Y CB -0.212 38.405 38.460 0.261 0.000 0.969 91 Y HN 0.325 8.841 8.280 0.569 0.105 0.488 92 I N -2.429 118.569 120.570 0.713 0.000 2.113 92 I HA -0.634 nan 4.170 nan 0.000 0.242 92 I C 2.140 178.659 176.117 0.669 0.000 1.064 92 I CA 3.622 65.389 61.300 0.779 0.000 1.320 92 I CB -0.379 37.895 38.000 0.457 0.000 1.028 92 I HN -0.836 7.772 8.210 0.664 0.000 0.406 93 L N -1.672 119.686 121.223 0.225 0.000 2.187 93 L HA -0.358 nan 4.340 nan 0.000 0.213 93 L C 1.501 178.172 176.870 -0.333 0.000 1.100 93 L CA 2.938 57.577 54.840 -0.334 0.000 0.765 93 L CB -0.723 40.860 42.059 -0.793 0.000 0.904 93 L HN -0.566 7.775 8.230 0.185 -0.001 0.437 94 T N -3.561 110.957 114.554 -0.061 0.000 3.014 94 T HA 0.026 nan 4.350 nan 0.000 0.250 94 T C 0.550 175.245 174.700 -0.008 0.000 1.060 94 T CA 1.219 63.264 62.100 -0.092 0.000 1.040 94 T CB 0.166 68.971 68.868 -0.105 0.000 0.971 94 T HN -0.380 7.757 8.240 0.061 0.140 0.497 95 H N 0.110 119.236 119.070 0.095 0.000 2.748 95 H HA 0.205 nan 4.556 nan 0.000 0.288 95 H C 0.563 176.039 175.328 0.247 0.000 1.539 95 H CA -0.743 55.240 56.048 -0.108 0.000 1.577 95 H CB 2.125 31.332 29.762 -0.926 0.000 1.721 95 H HN -0.349 8.031 8.280 0.349 0.109 0.869 96 F N -5.886 114.194 119.950 0.216 0.000 3.067 96 F HA -0.384 nan 4.527 nan 0.000 0.279 96 F C 0.618 176.377 175.800 -0.068 0.000 0.945 96 F CA 0.251 58.296 58.000 0.075 0.000 0.948 96 F CB -2.516 36.513 39.000 0.048 0.000 0.898 96 F HN 0.558 8.525 8.300 -0.555 0.000 0.746 97 K N 1.094 121.314 120.400 -0.300 0.000 2.071 97 K HA -0.463 nan 4.320 nan 0.000 0.217 97 K C 1.924 178.462 176.600 -0.103 0.000 1.054 97 K CA 3.370 59.288 56.287 -0.614 0.000 0.937 97 K CB -0.341 31.965 32.500 -0.324 0.000 0.719 97 K HN 0.099 8.200 8.250 -0.248 0.000 0.454 98 G N -3.219 105.567 108.800 -0.023 0.000 2.469 98 G HA2 -0.250 nan 3.960 nan 0.000 0.219 98 G HA3 -0.250 nan 3.960 nan 0.000 0.219 98 G C 1.612 176.509 174.900 -0.005 0.000 1.150 98 G CA 1.932 47.038 45.100 0.009 0.000 0.763 98 G HN 0.069 8.346 8.290 -0.022 0.000 0.561 99 V N 2.605 122.488 119.914 -0.051 0.000 2.237 99 V HA -0.384 nan 4.120 nan 0.000 0.245 99 V C 1.946 177.926 176.094 -0.190 0.000 1.046 99 V CA 3.759 65.942 62.300 -0.195 0.000 1.007 99 V CB -0.524 31.070 31.823 -0.383 0.000 0.638 99 V HN -0.442 7.742 8.190 -0.010 0.000 0.445 100 W N -2.639 118.663 121.300 0.003 0.000 2.341 100 W HA -0.449 nan 4.660 nan 0.000 0.283 100 W C 2.332 178.894 176.519 0.071 0.000 1.215 100 W CA 3.471 60.856 57.345 0.067 0.000 1.211 100 W CB -0.786 28.741 29.460 0.112 0.000 1.131 100 W HN -0.437 7.649 8.180 -0.156 0.000 0.552 101 N N -0.011 118.814 118.700 0.209 0.000 2.106 101 N HA -0.285 nan 4.740 nan 0.000 0.188 101 N C 2.146 177.714 175.510 0.096 0.000 1.029 101 N CA 3.488 56.624 53.050 0.144 0.000 0.848 101 N CB -0.309 38.231 38.487 0.089 0.000 1.007 101 N HN -0.149 8.186 8.380 0.153 0.137 0.423 102 I N 0.683 121.275 120.570 0.037 0.000 2.208 102 I HA -0.473 nan 4.170 nan 0.000 0.245 102 I C 1.506 177.618 176.117 -0.009 0.000 1.097 102 I CA 4.274 65.570 61.300 -0.007 0.000 1.363 102 I CB -0.143 37.823 38.000 -0.056 0.000 1.051 102 I HN -0.008 8.132 8.210 0.018 0.081 0.413 103 V N 0.869 120.792 119.914 0.015 0.000 2.261 103 V HA -0.497 nan 4.120 nan 0.000 0.246 103 V C 1.605 177.789 176.094 0.150 0.000 1.047 103 V CA 4.180 66.511 62.300 0.052 0.000 1.015 103 V CB -0.444 31.468 31.823 0.147 0.000 0.642 103 V HN 0.234 8.355 8.190 0.009 0.074 0.446 104 N N -2.890 115.957 118.700 0.245 0.000 2.719 104 N HA -0.241 nan 4.740 nan 0.000 0.207 104 N C 0.611 176.186 175.510 0.108 0.000 1.551 104 N CA 0.311 53.478 53.050 0.196 0.000 0.914 104 N CB -1.598 36.990 38.487 0.168 0.000 1.215 104 N HN -0.173 8.277 8.380 0.296 0.108 0.480 105 I N -0.455 120.083 120.570 -0.053 0.000 2.732 105 I HA -0.389 nan 4.170 nan 0.000 0.129 105 I C -1.112 174.918 176.117 -0.145 0.000 0.883 105 I CA 0.461 61.633 61.300 -0.213 0.000 2.781 105 I CB -0.859 36.805 38.000 -0.560 0.000 0.552 105 I HN -0.409 7.767 8.210 -0.058 0.000 0.352 106 P HA -0.183 nan 4.420 nan 0.000 0.216 106 P C -0.031 177.361 177.300 0.154 0.000 1.153 106 P CA 2.319 65.496 63.100 0.129 0.000 0.848 106 P CB -0.069 31.742 31.700 0.185 0.000 0.787 107 F N -7.718 112.276 119.950 0.074 0.000 2.772 107 F HA 0.051 nan 4.527 nan 0.000 0.302 107 F C -0.716 175.120 175.800 0.062 0.000 1.225 107 F CA 0.196 58.234 58.000 0.064 0.000 1.429 107 F CB -1.250 37.779 39.000 0.048 0.000 1.104 107 F HN -0.215 8.370 8.300 0.476 0.000 0.550 108 L N -1.704 119.425 121.223 -0.157 0.000 2.746 108 L HA 0.105 nan 4.340 nan 0.000 0.230 108 L C 1.300 178.174 176.870 0.006 0.000 1.034 108 L CA 0.598 55.347 54.840 -0.152 0.000 0.922 108 L CB 1.480 43.351 42.059 -0.314 0.000 1.496 108 L HN -0.218 7.728 8.230 -0.122 0.211 0.498 109 R N 1.138 121.709 120.500 0.120 0.000 2.094 109 R HA -0.490 nan 4.340 nan 0.000 0.239 109 R C 1.894 178.402 176.300 0.346 0.000 1.137 109 R CA 4.523 60.862 56.100 0.399 0.000 0.943 109 R CB 0.038 30.570 30.300 0.386 0.000 0.850 109 R HN 0.143 8.447 8.270 0.057 0.000 0.433 110 S N -0.265 115.570 115.700 0.227 0.000 2.365 110 S HA -0.356 nan 4.470 nan 0.000 0.225 110 S C 2.310 176.994 174.600 0.141 0.000 1.039 110 S CA 3.167 61.476 58.200 0.180 0.000 1.033 110 S CB -0.807 62.480 63.200 0.144 0.000 0.887 110 S HN -0.549 7.874 8.310 0.189 0.000 0.447 111 L N 2.379 123.664 121.223 0.104 0.000 2.013 111 L HA -0.353 nan 4.340 nan 0.000 0.212 111 L C 2.392 179.302 176.870 0.066 0.000 1.073 111 L CA 2.796 57.683 54.840 0.078 0.000 0.753 111 L CB -0.319 41.765 42.059 0.042 0.000 0.890 111 L HN -0.240 7.987 8.230 0.103 0.065 0.432 112 I N -1.495 119.059 120.570 -0.027 0.000 2.113 112 I HA -0.519 nan 4.170 nan 0.000 0.238 112 I C 2.168 178.283 176.117 -0.003 0.000 1.070 112 I CA 3.090 64.281 61.300 -0.182 0.000 1.332 112 I CB -0.998 36.553 38.000 -0.748 0.000 1.044 112 I HN -0.043 8.077 8.210 -0.031 0.071 0.402 113 M N -0.058 119.649 119.600 0.177 0.000 2.082 113 M HA -0.482 nan 4.480 nan 0.000 0.258 113 M C 1.703 178.116 176.300 0.188 0.000 1.069 113 M CA 3.311 58.810 55.300 0.332 0.000 1.102 113 M CB -0.478 32.341 32.600 0.365 0.000 1.336 113 M HN 0.394 8.711 8.290 0.231 0.111 0.404 114 K N -1.267 119.218 120.400 0.141 0.000 2.074 114 K HA -0.454 nan 4.320 nan 0.000 0.209 114 K C 1.911 178.562 176.600 0.086 0.000 1.048 114 K CA 3.653 59.993 56.287 0.088 0.000 0.926 114 K CB -0.140 32.416 32.500 0.092 0.000 0.713 114 K HN 0.081 8.300 8.250 0.150 0.121 0.444 115 Y N -0.820 119.508 120.300 0.047 0.000 2.163 115 Y HA -0.402 nan 4.550 nan 0.000 0.288 115 Y C 1.904 177.851 175.900 0.079 0.000 1.136 115 Y CA 3.752 61.883 58.100 0.051 0.000 1.147 115 Y CB 0.323 38.796 38.460 0.022 0.000 0.987 115 Y HN -0.481 7.845 8.280 0.232 0.094 0.509 116 V N -1.869 118.146 119.914 0.170 0.000 2.324 116 V HA -0.513 nan 4.120 nan 0.000 0.250 116 V C 1.771 177.894 176.094 0.048 0.000 1.060 116 V CA 3.328 65.719 62.300 0.152 0.000 1.042 116 V CB -1.340 30.633 31.823 0.250 0.000 0.650 116 V HN 0.076 8.412 8.190 0.243 0.000 0.450 117 L N -1.032 120.217 121.223 0.043 0.000 1.932 117 L HA -0.404 nan 4.340 nan 0.000 0.217 117 L C 1.961 178.814 176.870 -0.028 0.000 1.077 117 L CA 2.916 57.763 54.840 0.011 0.000 0.765 117 L CB -1.409 40.638 42.059 -0.020 0.000 0.888 117 L HN -0.014 8.257 8.230 0.078 0.005 0.433 118 T N -3.411 111.096 114.554 -0.078 0.000 2.536 118 T HA -0.468 nan 4.350 nan 0.000 0.263 118 T C 2.915 177.581 174.700 -0.057 0.000 1.115 118 T CA 3.669 65.730 62.100 -0.066 0.000 1.180 118 T CB -0.547 68.262 68.868 -0.098 0.000 0.864 118 T HN -0.006 8.187 8.240 -0.079 0.000 0.419 119 S N 3.635 119.190 115.700 -0.241 0.000 2.353 119 S HA -0.376 nan 4.470 nan 0.000 0.222 119 S C 2.186 176.855 174.600 0.115 0.000 1.035 119 S CA 3.182 61.329 58.200 -0.087 0.000 1.025 119 S CB -0.602 62.394 63.200 -0.340 0.000 0.902 119 S HN -0.352 7.652 8.310 -0.510 0.000 0.440 120 R N 2.451 122.981 120.500 0.050 0.000 2.140 120 R HA -0.323 nan 4.340 nan 0.000 0.250 120 R C 2.554 178.892 176.300 0.064 0.000 1.150 120 R CA 3.030 59.188 56.100 0.096 0.000 0.966 120 R CB -0.173 30.198 30.300 0.119 0.000 0.869 120 R HN -0.522 7.730 8.270 -0.030 0.000 0.445 121 S N -1.772 113.978 115.700 0.084 0.000 2.577 121 S HA 0.119 nan 4.470 nan 0.000 0.219 121 S C 1.234 175.863 174.600 0.049 0.000 0.962 121 S CA 0.694 58.941 58.200 0.078 0.000 0.921 121 S CB -0.040 63.243 63.200 0.139 0.000 0.789 121 S HN -0.602 7.746 8.310 0.095 0.018 0.497 122 Y N 1.142 121.481 120.300 0.064 0.000 2.403 122 Y HA -0.220 nan 4.550 nan 0.000 0.291 122 Y C -0.165 175.751 175.900 0.028 0.000 1.143 122 Y CA 1.718 59.842 58.100 0.039 0.000 1.257 122 Y CB -0.679 37.798 38.460 0.028 0.000 0.984 122 Y HN -0.254 7.972 8.280 0.169 0.155 0.550 123 L N -2.262 118.555 121.223 -0.676 0.000 2.622 123 L HA -0.069 nan 4.340 nan 0.000 0.233 123 L C -0.564 176.201 176.870 -0.176 0.000 1.156 123 L CA 0.412 54.907 54.840 -0.576 0.000 0.866 123 L CB -1.529 40.181 42.059 -0.582 0.000 0.980 123 L HN -0.373 7.414 8.230 -0.656 0.049 0.448 124 I N -0.789 119.756 120.570 -0.042 0.000 2.404 124 I HA 0.015 nan 4.170 nan 0.000 0.293 124 I C -0.827 175.277 176.117 -0.021 0.000 0.992 124 I CA -0.758 60.550 61.300 0.012 0.000 1.149 124 I CB 1.838 39.848 38.000 0.018 0.000 1.315 124 I HN -0.712 7.396 8.210 -0.039 0.078 0.446 125 D N 9.204 129.592 120.400 -0.020 0.000 2.508 125 D HA 0.084 nan 4.640 nan 0.000 0.224 125 D C -1.685 174.581 176.300 -0.056 0.000 1.171 125 D CA 0.113 54.100 54.000 -0.021 0.000 1.006 125 D CB -0.838 39.971 40.800 0.014 0.000 1.073 125 D HN 0.398 8.764 8.370 -0.007 0.000 0.513 126 S N 1.521 117.177 115.700 -0.073 0.000 2.659 126 S HA 0.250 nan 4.470 nan 0.000 0.312 126 S C -2.357 172.196 174.600 -0.079 0.000 1.114 126 S CA -3.488 54.653 58.200 -0.098 0.000 1.063 126 S CB 1.362 64.470 63.200 -0.153 0.000 0.996 126 S HN -0.722 7.549 8.310 -0.065 0.000 0.478 127 P HA 0.078 nan 4.420 nan 0.000 0.260 127 P C -2.222 175.084 177.300 0.011 0.000 1.172 127 P CA -0.643 62.480 63.100 0.039 0.000 0.760 127 P CB -0.130 31.645 31.700 0.126 0.000 0.773 128 P HA -0.039 nan 4.420 nan 0.000 0.264 128 P C -1.347 175.915 177.300 -0.065 0.000 1.183 128 P CA 0.410 63.459 63.100 -0.084 0.000 0.763 128 P CB 1.176 32.765 31.700 -0.185 0.000 0.807 129 T N -2.842 111.652 114.554 -0.101 0.000 2.893 129 T HA 0.435 nan 4.350 nan 0.000 0.291 129 T C -1.264 173.341 174.700 -0.159 0.000 1.028 129 T CA -1.445 60.480 62.100 -0.293 0.000 0.995 129 T CB 2.657 71.195 68.868 -0.550 0.000 1.051 129 T HN -0.090 8.123 8.240 -0.045 0.000 0.470 130 Y N 0.418 120.716 120.300 -0.004 0.000 2.504 130 Y HA -0.556 nan 4.550 nan 0.000 0.025 130 Y C -1.546 174.303 175.900 -0.084 0.000 1.699 130 Y CA 1.164 59.253 58.100 -0.017 0.000 1.421 130 Y CB -0.419 38.024 38.460 -0.028 0.000 2.066 130 Y HN 0.284 8.318 8.280 -0.410 0.000 0.254 131 N N -5.429 113.304 118.700 0.054 0.000 3.356 131 N HA 0.205 nan 4.740 nan 0.000 0.246 131 N C 0.415 175.772 175.510 -0.255 0.000 1.480 131 N CA -0.554 52.389 53.050 -0.177 0.000 0.877 131 N CB 1.470 39.665 38.487 -0.486 0.000 1.431 131 N HN -0.413 8.052 8.380 0.141 0.000 0.500 132 V N -1.763 117.914 119.914 -0.395 0.000 2.370 132 V HA -0.386 nan 4.120 nan 0.000 0.252 132 V C 0.402 176.243 176.094 -0.422 0.000 1.068 132 V CA 3.796 65.856 62.300 -0.400 0.000 1.061 132 V CB -0.594 30.930 31.823 -0.498 0.000 0.656 132 V HN 0.682 8.621 8.190 -0.418 0.000 0.455 133 H N -5.724 113.135 119.070 -0.352 0.000 2.575 133 H HA 0.026 nan 4.556 nan 0.000 0.267 133 H C -0.273 174.565 175.328 -0.817 0.000 0.966 133 H CA 0.054 55.814 56.048 -0.481 0.000 1.165 133 H CB 1.153 30.643 29.762 -0.452 0.000 1.433 133 H HN -0.551 7.535 8.280 -0.634 -0.187 0.544 134 Y N -0.259 119.976 120.300 -0.108 0.000 2.376 134 Y HA 0.068 nan 4.550 nan 0.000 0.326 134 Y C -0.714 175.176 175.900 -0.016 0.000 0.970 134 Y CA -1.253 56.781 58.100 -0.109 0.000 1.248 134 Y CB 0.522 39.010 38.460 0.046 0.000 1.117 134 Y HN -0.361 7.849 8.280 -0.118 -0.001 0.476 135 G N 2.788 111.503 108.800 -0.141 0.000 2.777 135 G HA2 -0.130 nan 3.960 nan 0.000 0.211 135 G HA3 -0.130 nan 3.960 nan 0.000 0.211 135 G C -2.132 172.962 174.900 0.323 0.000 1.149 135 G CA -0.231 44.869 45.100 -0.000 0.000 0.785 135 G HN 0.484 8.479 8.290 -0.491 0.000 0.536 136 Y N -5.676 114.845 120.300 0.368 0.000 2.509 136 Y HA 0.319 nan 4.550 nan 0.000 0.341 136 Y C 0.150 176.114 175.900 0.106 0.000 1.038 136 Y CA -4.462 53.801 58.100 0.271 0.000 1.089 136 Y CB 0.563 39.133 38.460 0.183 0.000 1.241 136 Y HN -0.999 7.148 8.280 -0.129 0.055 0.468 137 K N 0.854 121.336 120.400 0.137 0.000 2.066 137 K HA -0.481 nan 4.320 nan 0.000 0.221 137 K C 0.644 177.216 176.600 -0.046 0.000 1.056 137 K CA 1.915 58.126 56.287 -0.127 0.000 0.950 137 K CB -0.735 31.692 32.500 -0.121 0.000 0.726 137 K HN 0.568 8.920 8.250 0.169 0.000 0.456 138 S N -3.046 112.661 115.700 0.012 0.000 3.449 138 S HA -0.256 nan 4.470 nan 0.000 0.857 138 S C 0.572 175.132 174.600 -0.067 0.000 1.187 138 S CA -0.058 58.108 58.200 -0.056 0.000 0.927 138 S CB 0.529 63.674 63.200 -0.091 0.000 0.661 138 S HN -0.238 8.064 8.310 -0.014 0.000 0.275 139 W N 7.021 128.239 121.300 -0.136 0.000 2.518 139 W HA -0.154 nan 4.660 nan 0.000 0.273 139 W C 0.476 176.974 176.519 -0.035 0.000 1.247 139 W CA 2.284 59.602 57.345 -0.045 0.000 1.288 139 W CB 0.084 29.518 29.460 -0.042 0.000 1.107 139 W HN 0.601 8.864 8.180 0.138 0.000 0.586 140 E N 0.993 121.131 120.200 -0.104 0.000 2.150 140 E HA -0.348 nan 4.350 nan 0.000 0.193 140 E C 1.990 178.446 176.600 -0.240 0.000 0.985 140 E CA 2.733 59.044 56.400 -0.147 0.000 0.814 140 E CB -0.822 28.779 29.700 -0.166 0.000 0.752 140 E HN -0.333 7.928 8.360 -0.124 0.025 0.466 141 A N -1.528 121.004 122.820 -0.480 0.000 2.015 141 A HA -0.171 nan 4.320 nan 0.000 0.219 141 A C 1.828 179.282 177.584 -0.217 0.000 1.163 141 A CA 2.668 54.533 52.037 -0.287 0.000 0.646 141 A CB -0.707 18.148 19.000 -0.241 0.000 0.806 141 A HN -0.090 7.668 8.150 -0.625 0.017 0.448 142 F N -1.226 118.456 119.950 -0.447 0.000 2.262 142 F HA -0.126 nan 4.527 nan 0.000 0.292 142 F C 0.824 176.272 175.800 -0.586 0.000 1.081 142 F CA 2.171 59.825 58.000 -0.577 0.000 1.355 142 F CB 1.245 39.717 39.000 -0.879 0.000 1.069 142 F HN -0.668 7.339 8.300 -0.251 0.142 0.506 143 S N -0.215 115.105 115.700 -0.633 0.000 2.325 143 S HA -0.325 nan 4.470 nan 0.000 0.214 143 S C 1.058 175.503 174.600 -0.258 0.000 1.031 143 S CA 2.508 60.450 58.200 -0.430 0.000 0.972 143 S CB -0.208 62.931 63.200 -0.102 0.000 0.908 143 S HN 0.331 8.227 8.310 -0.512 0.107 0.453 144 N N 3.845 122.486 118.700 -0.098 0.000 2.381 144 N HA -0.167 nan 4.740 nan 0.000 0.288 144 N C 1.074 176.553 175.510 -0.052 0.000 1.346 144 N CA 0.632 53.664 53.050 -0.030 0.000 0.970 144 N CB -0.635 37.886 38.487 0.056 0.000 1.351 144 N HN -0.560 7.785 8.380 -0.059 0.000 0.488 145 L N 4.383 125.540 121.223 -0.109 0.000 2.551 145 L HA -0.154 nan 4.340 nan 0.000 0.228 145 L C 1.001 177.909 176.870 0.063 0.000 1.153 145 L CA 1.467 56.247 54.840 -0.099 0.000 0.851 145 L CB -0.542 41.435 42.059 -0.135 0.000 0.959 145 L HN 0.070 8.232 8.230 -0.114 0.000 0.451 146 S N -0.008 115.686 115.700 -0.010 0.000 2.515 146 S HA -0.149 nan 4.470 nan 0.000 0.231 146 S C 0.027 174.654 174.600 0.045 0.000 0.987 146 S CA 2.840 61.039 58.200 -0.002 0.000 0.936 146 S CB 0.032 63.215 63.200 -0.028 0.000 0.766 146 S HN -0.170 8.310 8.310 -0.064 -0.208 0.528 147 Y N 0.538 120.856 120.300 0.031 0.000 2.436 147 Y HA 0.185 nan 4.550 nan 0.000 0.336 147 Y C -1.055 174.804 175.900 -0.068 0.000 1.318 147 Y CA 0.858 58.890 58.100 -0.112 0.000 1.493 147 Y CB 1.236 39.642 38.460 -0.091 0.000 1.547 147 Y HN -0.946 7.357 8.280 0.144 0.064 0.549 148 Y N -4.745 115.654 120.300 0.166 0.000 2.393 148 Y HA 0.169 nan 4.550 nan 0.000 0.341 148 Y C 0.136 176.070 175.900 0.057 0.000 0.988 148 Y CA -0.518 57.654 58.100 0.119 0.000 1.078 148 Y CB 2.540 41.042 38.460 0.070 0.000 1.203 148 Y HN -0.262 8.177 8.280 0.264 0.000 0.453 149 T N 4.540 119.227 114.554 0.220 0.000 2.667 149 T HA 0.118 nan 4.350 nan 0.000 0.305 149 T C -1.712 173.025 174.700 0.061 0.000 1.022 149 T CA 0.428 62.568 62.100 0.067 0.000 0.995 149 T CB 1.170 70.026 68.868 -0.021 0.000 1.026 149 T HN 0.223 8.538 8.240 0.284 0.095 0.527 150 R N 2.278 122.808 120.500 0.051 0.000 2.531 150 R HA 0.244 nan 4.340 nan 0.000 0.293 150 R C -0.405 175.946 176.300 0.086 0.000 1.124 150 R CA -0.674 55.449 56.100 0.038 0.000 0.945 150 R CB 1.979 32.263 30.300 -0.026 0.000 1.195 150 R HN -0.128 8.188 8.270 0.077 0.000 0.433 151 A N 6.346 129.272 122.820 0.177 0.000 1.958 151 A HA -0.139 nan 4.320 nan 0.000 0.221 151 A C -0.426 177.176 177.584 0.030 0.000 1.178 151 A CA 2.360 54.554 52.037 0.261 0.000 0.642 151 A CB 0.104 19.551 19.000 0.744 0.000 0.816 151 A HN 0.535 8.819 8.150 0.223 0.000 0.453 152 L N -3.781 117.390 121.223 -0.087 0.000 2.386 152 L HA 0.406 nan 4.340 nan 0.000 0.271 152 L C -2.291 174.358 176.870 -0.368 0.000 0.993 152 L CA -3.649 50.987 54.840 -0.340 0.000 0.819 152 L CB 2.544 44.242 42.059 -0.601 0.000 1.294 152 L HN -0.786 7.643 8.230 0.023 -0.185 0.414 153 P HA 0.123 nan 4.420 nan 0.000 0.269 153 P C -1.787 175.344 177.300 -0.282 0.000 1.209 153 P CA -1.560 61.214 63.100 -0.544 0.000 0.776 153 P CB -0.859 30.410 31.700 -0.717 0.000 0.876 154 P HA -0.004 nan 4.420 nan 0.000 0.272 154 P C -1.013 176.229 177.300 -0.097 0.000 1.254 154 P CA -0.577 62.455 63.100 -0.114 0.000 0.795 154 P CB 0.727 32.368 31.700 -0.099 0.000 1.022 155 V N -0.174 119.714 119.914 -0.043 0.000 2.461 155 V HA -0.028 nan 4.120 nan 0.000 0.275 155 V C 0.135 176.207 176.094 -0.036 0.000 1.047 155 V CA -0.682 61.598 62.300 -0.033 0.000 0.955 155 V CB -0.390 31.437 31.823 0.006 0.000 0.988 155 V HN -0.273 7.912 8.190 -0.009 0.000 0.471 156 A N 7.407 130.200 122.820 -0.046 0.000 2.580 156 A HA -0.081 nan 4.320 nan 0.000 0.244 156 A C 0.353 177.927 177.584 -0.017 0.000 1.045 156 A CA 0.020 52.033 52.037 -0.040 0.000 0.761 156 A CB 0.477 19.457 19.000 -0.033 0.000 0.962 156 A HN 0.258 8.376 8.150 -0.053 0.000 0.512 157 D N 2.371 122.762 120.400 -0.016 0.000 2.389 157 D HA -0.247 nan 4.640 nan 0.000 0.221 157 D C -0.138 176.169 176.300 0.011 0.000 0.974 157 D CA 2.773 56.774 54.000 0.003 0.000 0.923 157 D CB -0.336 40.467 40.800 0.005 0.000 0.892 157 D HN 0.598 8.949 8.370 -0.031 0.000 0.518 158 D N -5.895 114.511 120.400 0.011 0.000 2.424 158 D HA 0.027 nan 4.640 nan 0.000 0.220 158 D C -0.115 176.198 176.300 0.022 0.000 1.150 158 D CA -0.902 53.111 54.000 0.022 0.000 0.831 158 D CB -0.466 40.353 40.800 0.033 0.000 0.981 158 D HN -0.338 7.949 8.370 0.004 0.085 0.500 159 c N 2.185 120.793 118.600 0.014 0.000 2.649 159 c HA 0.169 nan 4.570 nan 0.000 0.377 159 c C 0.318 174.419 174.090 0.017 0.000 1.321 159 c CA -0.934 55.403 56.329 0.013 0.000 2.368 159 c CB 0.588 43.101 42.510 0.004 0.000 2.597 159 c HN -0.102 8.065 8.230 0.011 0.069 0.678 160 P HA -0.012 nan 4.420 nan 0.000 0.219 160 P C -0.835 176.476 177.300 0.019 0.000 1.154 160 P CA 1.165 64.276 63.100 0.018 0.000 0.826 160 P CB 0.835 32.545 31.700 0.017 0.000 0.795 161 T N -4.401 110.165 114.554 0.020 0.000 2.906 161 T HA 0.592 nan 4.350 nan 0.000 0.295 161 T C -1.246 173.471 174.700 0.029 0.000 1.061 161 T CA -2.534 59.581 62.100 0.024 0.000 1.000 161 T CB 2.033 70.918 68.868 0.029 0.000 1.103 161 T HN -0.159 7.997 8.240 0.018 0.094 0.486 162 P HA -0.127 nan 4.420 nan 0.000 0.223 162 P C 0.086 177.420 177.300 0.056 0.000 1.144 162 P CA 2.495 65.621 63.100 0.043 0.000 0.783 162 P CB 0.240 31.967 31.700 0.045 0.000 0.771 163 M N -4.125 115.510 119.600 0.058 0.000 2.475 163 M HA 0.082 nan 4.480 nan 0.000 0.261 163 M C 0.356 176.678 176.300 0.037 0.000 1.177 163 M CA -1.831 53.509 55.300 0.066 0.000 0.979 163 M CB -0.827 31.825 32.600 0.086 0.000 1.482 163 M HN -0.413 7.860 8.290 0.053 0.048 0.484 164 G N -1.273 107.540 108.800 0.023 0.000 2.979 164 G HA2 -0.282 nan 3.960 nan 0.000 0.238 164 G HA3 -0.282 nan 3.960 nan 0.000 0.238 164 G C -0.736 174.167 174.900 0.005 0.000 1.805 164 G CA 0.895 45.996 45.100 0.002 0.000 1.389 164 G HN 0.320 8.439 8.290 0.028 0.187 0.517 165 V N -2.517 117.399 119.914 0.003 0.000 3.484 165 V HA 0.378 nan 4.120 nan 0.000 0.252 165 V C 0.022 176.127 176.094 0.018 0.000 1.282 165 V CA -0.418 61.887 62.300 0.008 0.000 1.104 165 V CB 0.969 32.791 31.823 -0.002 0.000 0.868 165 V HN -0.009 8.181 8.190 -0.000 0.000 0.457 166 K N 2.039 122.454 120.400 0.024 0.000 2.218 166 K HA 0.073 nan 4.320 nan 0.000 0.276 166 K C -0.442 176.189 176.600 0.052 0.000 1.022 166 K CA 0.139 56.449 56.287 0.038 0.000 0.946 166 K CB 0.796 33.321 32.500 0.042 0.000 1.000 166 K HN -0.273 7.989 8.250 0.021 0.000 0.468 167 G N 0.646 109.480 108.800 0.056 0.000 2.483 167 G HA2 -0.309 nan 3.960 nan 0.000 0.521 167 G HA3 -0.309 nan 3.960 nan 0.000 0.521 167 G C -1.382 173.539 174.900 0.036 0.000 1.278 167 G CA -0.678 44.457 45.100 0.059 0.000 0.965 167 G HN -0.076 8.244 8.290 0.051 0.000 0.504 168 N N -0.163 118.551 118.700 0.024 0.000 2.530 168 N HA 0.250 nan 4.740 nan 0.000 0.283 168 N C -0.441 175.074 175.510 0.009 0.000 1.238 168 N CA -1.287 51.769 53.050 0.011 0.000 0.971 168 N CB 1.842 40.327 38.487 -0.004 0.000 1.195 168 N HN 0.239 8.632 8.380 0.022 0.000 0.583 169 K N -0.671 119.733 120.400 0.006 0.000 2.218 169 K HA -0.250 nan 4.320 nan 0.000 0.205 169 K C -0.287 176.315 176.600 0.004 0.000 1.046 169 K CA 2.216 58.507 56.287 0.006 0.000 0.933 169 K CB 0.369 32.872 32.500 0.004 0.000 0.728 169 K HN 0.276 8.528 8.250 0.004 0.000 0.454 170 E N -4.730 115.467 120.200 -0.006 0.000 2.431 170 E HA 0.176 nan 4.350 nan 0.000 0.268 170 E C -2.202 174.381 176.600 -0.029 0.000 0.953 170 E CA -1.405 54.987 56.400 -0.013 0.000 0.810 170 E CB 2.391 32.079 29.700 -0.021 0.000 1.369 170 E HN -0.568 7.750 8.360 -0.009 0.037 0.440 171 L N -1.383 119.812 121.223 -0.046 0.000 2.299 171 L HA 0.361 nan 4.340 nan 0.000 0.268 171 L C -1.481 175.283 176.870 -0.177 0.000 1.012 171 L CA -3.085 51.696 54.840 -0.098 0.000 0.816 171 L CB 0.342 42.375 42.059 -0.044 0.000 1.355 171 L HN -0.043 8.165 8.230 -0.036 0.000 0.457 172 P HA 0.017 nan 4.420 nan 0.000 0.271 172 P C -1.616 175.581 177.300 -0.173 0.000 1.238 172 P CA -0.423 62.470 63.100 -0.344 0.000 0.794 172 P CB 0.725 32.020 31.700 -0.675 0.000 0.959 173 D N -1.095 119.239 120.400 -0.111 0.000 2.344 173 D HA -0.008 nan 4.640 nan 0.000 0.244 173 D C 0.334 176.619 176.300 -0.024 0.000 1.134 173 D CA -0.076 53.892 54.000 -0.054 0.000 0.930 173 D CB 1.321 42.098 40.800 -0.038 0.000 1.175 173 D HN 0.095 8.396 8.370 -0.116 0.000 0.437 174 S N 1.358 117.057 115.700 -0.001 0.000 2.348 174 S HA -0.206 nan 4.470 nan 0.000 0.221 174 S C 1.751 176.373 174.600 0.036 0.000 1.033 174 S CA 3.450 61.667 58.200 0.029 0.000 1.010 174 S CB 0.196 63.408 63.200 0.019 0.000 0.891 174 S HN 0.233 8.538 8.310 -0.008 0.000 0.442 175 K N 0.480 120.890 120.400 0.016 0.000 2.280 175 K HA -0.253 nan 4.320 nan 0.000 0.202 175 K C 2.260 178.869 176.600 0.015 0.000 1.047 175 K CA 3.191 59.487 56.287 0.015 0.000 0.942 175 K CB -0.154 32.348 32.500 0.004 0.000 0.739 175 K HN -0.320 8.141 8.250 0.006 -0.207 0.457 176 E N -3.574 116.630 120.200 0.007 0.000 2.511 176 E HA -0.138 nan 4.350 nan 0.000 0.196 176 E C 0.613 177.232 176.600 0.031 0.000 1.066 176 E CA 1.605 58.006 56.400 0.002 0.000 0.871 176 E CB -0.183 29.502 29.700 -0.024 0.000 0.863 176 E HN -0.091 8.136 8.360 -0.000 0.133 0.520 177 V N -3.264 116.686 119.914 0.061 0.000 3.137 177 V HA 0.136 nan 4.120 nan 0.000 0.236 177 V C 1.769 177.914 176.094 0.084 0.000 1.260 177 V CA 1.335 63.702 62.300 0.112 0.000 1.244 177 V CB 1.255 33.197 31.823 0.198 0.000 1.016 177 V HN -0.182 7.827 8.190 0.053 0.212 0.477 178 L N 0.757 122.026 121.223 0.076 0.000 1.970 178 L HA -0.503 nan 4.340 nan 0.000 0.212 178 L C 1.192 178.083 176.870 0.036 0.000 1.071 178 L CA 4.457 59.336 54.840 0.066 0.000 0.751 178 L CB 0.076 42.166 42.059 0.053 0.000 0.889 178 L HN 0.696 8.850 8.230 0.073 0.120 0.432 179 E N -2.227 117.987 120.200 0.023 0.000 2.008 179 E HA -0.368 nan 4.350 nan 0.000 0.191 179 E C 2.692 179.295 176.600 0.006 0.000 0.986 179 E CA 3.074 59.479 56.400 0.008 0.000 0.807 179 E CB -0.189 29.512 29.700 0.002 0.000 0.766 179 E HN -0.173 8.086 8.360 0.024 0.115 0.450 180 K N -1.467 118.939 120.400 0.009 0.000 1.987 180 K HA -0.331 nan 4.320 nan 0.000 0.216 180 K C 2.456 179.059 176.600 0.005 0.000 1.051 180 K CA 3.272 59.562 56.287 0.004 0.000 0.942 180 K CB -0.068 32.436 32.500 0.006 0.000 0.722 180 K HN -0.648 7.610 8.250 0.013 0.000 0.444 181 V N -2.930 116.995 119.914 0.019 0.000 3.644 181 V HA -0.017 nan 4.120 nan 0.000 0.267 181 V C 0.884 176.976 176.094 -0.003 0.000 1.277 181 V CA 2.112 64.417 62.300 0.010 0.000 1.096 181 V CB 0.097 31.937 31.823 0.028 0.000 0.828 181 V HN -0.378 7.726 8.190 0.035 0.108 0.446 182 L N -2.240 118.987 121.223 0.008 0.000 2.577 182 L HA 0.250 nan 4.340 nan 0.000 0.225 182 L C -0.201 176.667 176.870 -0.004 0.000 1.053 182 L CA 1.103 55.943 54.840 0.001 0.000 0.866 182 L CB 1.329 43.407 42.059 0.032 0.000 1.132 182 L HN -0.576 7.576 8.230 0.019 0.090 0.486 183 L N -1.489 119.733 121.223 -0.002 0.000 2.416 183 L HA -0.154 nan 4.340 nan 0.000 0.272 183 L C -1.132 175.723 176.870 -0.025 0.000 1.161 183 L CA -0.031 54.802 54.840 -0.012 0.000 0.845 183 L CB 0.330 42.382 42.059 -0.012 0.000 1.119 183 L HN -0.257 7.974 8.230 0.003 0.000 0.464 184 R N 2.381 122.861 120.500 -0.034 0.000 2.679 184 R HA 0.125 nan 4.340 nan 0.000 0.269 184 R C -0.710 175.573 176.300 -0.028 0.000 1.076 184 R CA 0.230 56.304 56.100 -0.042 0.000 1.160 184 R CB 0.747 31.013 30.300 -0.057 0.000 1.054 184 R HN -0.294 7.957 8.270 -0.032 0.000 0.507 185 R N 1.047 121.533 120.500 -0.024 0.000 2.171 185 R HA 0.097 nan 4.340 nan 0.000 0.171 185 R C -0.399 175.903 176.300 0.003 0.000 1.662 185 R CA -0.284 55.809 56.100 -0.013 0.000 1.323 185 R CB -0.039 30.251 30.300 -0.016 0.000 1.180 185 R HN 0.449 8.700 8.270 -0.033 0.000 0.474 186 E N 0.140 120.344 120.200 0.006 0.000 2.242 186 E HA 0.035 nan 4.350 nan 0.000 0.275 186 E C -1.192 175.450 176.600 0.070 0.000 1.002 186 E CA -1.401 55.023 56.400 0.040 0.000 0.841 186 E CB 1.264 30.980 29.700 0.027 0.000 1.109 186 E HN -0.258 8.098 8.360 -0.008 0.000 0.394 187 F N 2.513 122.434 119.950 -0.049 0.000 2.571 187 F HA -0.089 nan 4.527 nan 0.000 0.384 187 F C -0.775 174.988 175.800 -0.060 0.000 1.058 187 F CA 0.174 58.141 58.000 -0.055 0.000 1.200 187 F CB 0.575 39.536 39.000 -0.064 0.000 1.077 187 F HN 0.061 8.496 8.300 0.225 0.000 0.558 188 I N 9.242 129.593 120.570 -0.366 0.000 2.321 188 I HA 0.314 nan 4.170 nan 0.000 0.291 188 I C -1.771 174.079 176.117 -0.444 0.000 0.998 188 I CA -3.489 57.667 61.300 -0.239 0.000 1.227 188 I CB 1.841 39.715 38.000 -0.210 0.000 1.368 188 I HN 0.093 8.276 8.210 -0.551 -0.304 0.466 189 P HA 0.187 nan 4.420 nan 0.000 0.279 189 P C -1.383 175.861 177.300 -0.094 0.000 1.239 189 P CA -1.210 61.947 63.100 0.095 0.000 0.789 189 P CB 0.456 32.309 31.700 0.256 0.000 0.933 190 D N 1.989 122.310 120.400 -0.132 0.000 2.455 190 D HA -0.051 nan 4.640 nan 0.000 0.241 190 D C 1.043 177.243 176.300 -0.166 0.000 1.138 190 D CA -1.978 51.899 54.000 -0.205 0.000 0.877 190 D CB 1.555 42.205 40.800 -0.250 0.000 1.187 190 D HN 0.191 8.416 8.370 -0.083 0.095 0.451 191 P HA 0.076 nan 4.420 nan 0.000 0.245 191 P C -0.906 176.282 177.300 -0.187 0.000 1.212 191 P CA 1.043 64.043 63.100 -0.166 0.000 0.774 191 P CB -0.051 31.549 31.700 -0.168 0.000 0.999 192 Q N -3.258 116.401 119.800 -0.235 0.000 2.282 192 Q HA 0.126 nan 4.340 nan 0.000 0.206 192 Q C 0.192 176.098 176.000 -0.156 0.000 0.878 192 Q CA -0.423 55.222 55.803 -0.264 0.000 0.944 192 Q CB 0.612 29.093 28.738 -0.428 0.000 1.100 192 Q HN -0.436 8.030 8.270 -0.257 -0.350 0.509 193 G N -0.130 108.605 108.800 -0.107 0.000 2.225 193 G HA2 -0.457 nan 3.960 nan 0.000 0.264 193 G HA3 -0.457 nan 3.960 nan 0.000 0.264 193 G C -0.749 174.144 174.900 -0.012 0.000 1.060 193 G CA 0.163 45.241 45.100 -0.037 0.000 0.833 193 G HN -0.553 7.610 8.290 -0.131 0.048 0.498 194 S N 1.525 117.151 115.700 -0.123 0.000 2.488 194 S HA -0.076 nan 4.470 nan 0.000 0.278 194 S C -0.801 173.691 174.600 -0.179 0.000 1.259 194 S CA 0.503 58.511 58.200 -0.321 0.000 1.061 194 S CB 0.472 63.298 63.200 -0.623 0.000 0.910 194 S HN 0.081 8.555 8.310 -0.165 -0.262 0.491 195 N N 6.368 125.013 118.700 -0.092 0.000 2.443 195 N HA 0.403 nan 4.740 nan 0.000 0.294 195 N C 0.818 176.346 175.510 0.030 0.000 1.289 195 N CA -0.830 52.231 53.050 0.017 0.000 0.966 195 N CB 0.227 38.772 38.487 0.096 0.000 1.122 195 N HN -0.186 8.012 8.380 -0.128 0.105 0.569 196 M N -2.053 117.552 119.600 0.007 0.000 2.541 196 M HA 0.124 nan 4.480 nan 0.000 0.252 196 M C 1.649 177.970 176.300 0.035 0.000 1.125 196 M CA 0.662 55.832 55.300 -0.215 0.000 1.091 196 M CB -0.946 31.243 32.600 -0.685 0.000 1.420 196 M HN -0.008 8.319 8.290 0.062 0.000 0.486 197 M N 1.781 121.591 119.600 0.350 0.000 2.098 197 M HA -0.236 nan 4.480 nan 0.000 0.262 197 M C 2.041 178.789 176.300 0.748 0.000 1.072 197 M CA 2.444 58.102 55.300 0.597 0.000 1.133 197 M CB -0.720 32.192 32.600 0.520 0.000 1.344 197 M HN -0.577 7.943 8.290 0.303 -0.048 0.414 198 F N 0.861 121.050 119.950 0.398 0.000 2.075 198 F HA -0.389 nan 4.527 nan 0.000 0.297 198 F C 0.655 176.499 175.800 0.074 0.000 1.113 198 F CA 3.481 61.467 58.000 -0.024 0.000 1.218 198 F CB -0.244 38.584 39.000 -0.286 0.000 0.984 198 F HN 0.142 9.154 8.300 0.610 -0.347 0.472 199 A N -0.560 122.547 122.820 0.477 0.000 1.903 199 A HA -0.388 nan 4.320 nan 0.000 0.219 199 A C 2.313 180.004 177.584 0.179 0.000 1.191 199 A CA 3.082 55.276 52.037 0.262 0.000 0.638 199 A CB -0.966 17.982 19.000 -0.086 0.000 0.823 199 A HN -0.252 8.120 8.150 0.370 0.000 0.451 200 F N -3.575 116.542 119.950 0.279 0.000 2.456 200 F HA -0.168 nan 4.527 nan 0.000 0.298 200 F C 1.546 177.589 175.800 0.405 0.000 1.104 200 F CA 1.390 59.559 58.000 0.281 0.000 1.435 200 F CB -0.286 38.854 39.000 0.234 0.000 1.078 200 F HN -0.526 7.934 8.300 0.268 0.000 0.546 201 F N 2.207 122.472 119.950 0.525 0.000 2.084 201 F HA -0.452 nan 4.527 nan 0.000 0.296 201 F C 0.949 176.818 175.800 0.116 0.000 1.111 201 F CA 3.717 61.784 58.000 0.112 0.000 1.224 201 F CB 0.083 39.036 39.000 -0.079 0.000 0.991 201 F HN -0.390 8.258 8.300 0.793 0.128 0.471 202 A N -2.190 120.908 122.820 0.463 0.000 2.076 202 A HA -0.417 nan 4.320 nan 0.000 0.220 202 A C 1.335 179.132 177.584 0.354 0.000 1.160 202 A CA 3.153 55.523 52.037 0.556 0.000 0.653 202 A CB -1.002 18.288 19.000 0.484 0.000 0.801 202 A HN 0.405 8.729 8.150 0.290 0.000 0.455 203 Q N -2.090 117.844 119.800 0.222 0.000 2.089 203 Q HA -0.319 nan 4.340 nan 0.000 0.195 203 Q C 2.099 177.961 176.000 -0.231 0.000 0.963 203 Q CA 2.711 58.496 55.803 -0.030 0.000 0.834 203 Q CB 0.249 28.978 28.738 -0.015 0.000 0.906 203 Q HN -0.449 7.844 8.270 0.287 0.150 0.452 204 H N 0.235 119.130 119.070 -0.290 0.000 2.321 204 H HA -0.274 nan 4.556 nan 0.000 0.300 204 H C 1.566 176.740 175.328 -0.256 0.000 1.087 204 H CA 3.461 59.207 56.048 -0.503 0.000 1.319 204 H CB 0.101 29.557 29.762 -0.510 0.000 1.379 204 H HN -0.425 7.900 8.280 0.075 0.000 0.501 205 F N -1.338 118.389 119.950 -0.372 0.000 2.031 205 F HA -0.261 nan 4.527 nan 0.000 0.295 205 F C 1.458 176.949 175.800 -0.517 0.000 1.133 205 F CA 3.824 61.598 58.000 -0.377 0.000 1.188 205 F CB 0.287 39.154 39.000 -0.221 0.000 0.974 205 F HN 0.303 8.626 8.300 0.038 0.000 0.473 206 T N -2.618 111.548 114.554 -0.646 0.000 3.025 206 T HA -0.306 nan 4.350 nan 0.000 0.270 206 T C 1.759 175.910 174.700 -0.916 0.000 1.126 206 T CA 3.435 64.743 62.100 -1.319 0.000 1.105 206 T CB -0.852 67.740 68.868 -0.460 0.000 0.884 206 T HN -0.357 7.841 8.240 -0.070 0.000 0.522 207 H N 2.142 120.916 119.070 -0.493 0.000 2.553 207 H HA 0.077 nan 4.556 nan 0.000 0.269 207 H C 0.028 175.238 175.328 -0.197 0.000 1.011 207 H CA 0.823 56.780 56.048 -0.152 0.000 1.150 207 H CB -1.014 28.873 29.762 0.209 0.000 1.339 207 H HN -0.439 7.616 8.280 -0.083 0.175 0.604 208 Q N -2.256 117.324 119.800 -0.367 0.000 2.200 208 Q HA -0.114 nan 4.340 nan 0.000 0.197 208 Q C 0.857 176.694 176.000 -0.271 0.000 0.953 208 Q CA 1.763 57.422 55.803 -0.241 0.000 0.851 208 Q CB 0.739 29.348 28.738 -0.215 0.000 0.938 208 Q HN -0.617 7.157 8.270 -0.713 0.068 0.488 209 F N -3.705 115.979 119.950 -0.444 0.000 2.187 209 F HA -0.040 nan 4.527 nan 0.000 0.295 209 F C 0.003 175.565 175.800 -0.397 0.000 1.091 209 F CA 0.278 57.974 58.000 -0.507 0.000 1.308 209 F CB -0.017 38.579 39.000 -0.672 0.000 1.030 209 F HN -0.795 6.742 8.300 -1.271 0.000 0.487 210 F N -0.455 119.379 119.950 -0.192 0.000 2.438 210 F HA -0.077 nan 4.527 nan 0.000 0.356 210 F C 0.351 176.024 175.800 -0.212 0.000 1.099 210 F CA -0.238 57.677 58.000 -0.143 0.000 1.185 210 F CB -0.042 38.764 39.000 -0.324 0.000 1.115 210 F HN -0.190 7.561 8.300 -0.915 0.000 0.526 211 K N 2.631 123.090 120.400 0.099 0.000 3.066 211 K HA 0.107 nan 4.320 nan 0.000 0.168 211 K C -0.720 175.846 176.600 -0.057 0.000 1.076 211 K CA -0.349 55.916 56.287 -0.036 0.000 1.082 211 K CB 1.205 33.644 32.500 -0.102 0.000 0.700 211 K HN -0.007 8.420 8.250 0.294 0.000 0.403 212 T N 2.026 116.604 114.554 0.039 0.000 2.588 212 T HA -0.293 nan 4.350 nan 0.000 0.236 212 T C 0.242 174.681 174.700 -0.436 0.000 1.027 212 T CA 1.581 63.627 62.100 -0.089 0.000 1.167 212 T CB -0.122 68.730 68.868 -0.028 0.000 1.014 212 T HN -0.433 7.914 8.240 0.179 0.000 0.476 213 D N 6.416 126.687 120.400 -0.215 0.000 2.483 213 D HA 0.139 nan 4.640 nan 0.000 0.220 213 D C 0.447 176.686 176.300 -0.101 0.000 1.173 213 D CA -1.849 52.052 54.000 -0.164 0.000 0.964 213 D CB -0.114 40.637 40.800 -0.082 0.000 1.046 213 D HN 0.306 8.498 8.370 -0.088 0.126 0.517 214 H N 5.083 124.200 119.070 0.078 0.000 2.457 214 H HA -0.281 nan 4.556 nan 0.000 0.294 214 H C 1.131 176.485 175.328 0.043 0.000 1.064 214 H CA 2.583 58.680 56.048 0.082 0.000 1.330 214 H CB 0.047 29.846 29.762 0.061 0.000 1.395 214 H HN -0.280 7.672 8.280 -0.504 0.025 0.541 215 K N -0.446 120.010 120.400 0.093 0.000 2.113 215 K HA -0.264 nan 4.320 nan 0.000 0.208 215 K C 1.263 177.835 176.600 -0.047 0.000 1.047 215 K CA 2.486 58.784 56.287 0.018 0.000 0.928 215 K CB 0.040 32.525 32.500 -0.024 0.000 0.716 215 K HN 0.026 8.344 8.250 0.070 -0.026 0.446 216 R N -2.445 117.977 120.500 -0.130 0.000 2.112 216 R HA -0.013 nan 4.340 nan 0.000 0.216 216 R C -0.081 176.196 176.300 -0.039 0.000 1.080 216 R CA 0.056 55.929 56.100 -0.378 0.000 0.996 216 R CB 1.444 31.144 30.300 -1.000 0.000 0.902 216 R HN -0.528 7.811 8.270 -0.100 -0.129 0.449 217 G N -2.930 105.999 108.800 0.215 0.000 2.347 217 G HA2 -0.134 nan 3.960 nan 0.000 0.341 217 G HA3 -0.134 nan 3.960 nan 0.000 0.341 217 G C -3.167 171.985 174.900 0.420 0.000 1.287 217 G CA -0.729 44.587 45.100 0.360 0.000 0.984 217 G HN -0.293 7.916 8.290 0.153 0.174 0.526 218 P HA 0.176 nan 4.420 nan 0.000 0.279 218 P C -0.272 177.177 177.300 0.248 0.000 1.239 218 P CA -0.025 63.243 63.100 0.280 0.000 0.789 218 P CB 0.062 31.875 31.700 0.189 0.000 0.933 219 G N -0.170 108.829 108.800 0.332 0.000 2.213 219 G HA2 -0.300 nan 3.960 nan 0.000 0.226 219 G HA3 -0.300 nan 3.960 nan 0.000 0.226 219 G C -1.635 173.353 174.900 0.148 0.000 0.992 219 G CA -0.078 45.178 45.100 0.260 0.000 0.632 219 G HN 0.326 8.897 8.290 0.468 0.000 0.511 220 F N 0.317 120.411 119.950 0.239 0.000 2.436 220 F HA 0.538 nan 4.527 nan 0.000 0.340 220 F C -1.108 174.516 175.800 -0.292 0.000 1.113 220 F CA -1.120 56.863 58.000 -0.027 0.000 1.022 220 F CB 1.702 40.697 39.000 -0.008 0.000 1.128 220 F HN -0.795 7.662 8.300 0.403 0.085 0.466 221 T N 3.708 118.027 114.554 -0.392 0.000 2.938 221 T HA 0.525 nan 4.350 nan 0.000 0.285 221 T C -1.806 172.732 174.700 -0.270 0.000 1.028 221 T CA -2.542 59.219 62.100 -0.566 0.000 1.005 221 T CB 2.120 70.344 68.868 -1.073 0.000 1.157 221 T HN 0.710 8.684 8.240 -0.261 0.109 0.550 222 R N -1.977 118.377 120.500 -0.242 0.000 2.541 222 R HA 0.263 nan 4.340 nan 0.000 0.332 222 R C 1.154 177.349 176.300 -0.175 0.000 0.951 222 R CA -0.248 55.750 56.100 -0.170 0.000 1.136 222 R CB 1.926 32.142 30.300 -0.139 0.000 1.449 222 R HN 0.401 8.514 8.270 -0.262 0.000 0.531 223 G N 1.372 110.036 108.800 -0.227 0.000 3.636 223 G HA2 0.226 nan 3.960 nan 0.000 0.260 223 G HA3 0.226 nan 3.960 nan 0.000 0.260 223 G C -0.938 173.820 174.900 -0.237 0.000 1.014 223 G CA -0.424 44.550 45.100 -0.210 0.000 1.797 223 G HN 0.062 8.182 8.290 -0.282 0.000 0.637 224 L N -0.687 120.449 121.223 -0.145 0.000 2.270 224 L HA -0.267 nan 4.340 nan 0.000 0.217 224 L C 1.717 178.632 176.870 0.074 0.000 1.107 224 L CA 1.611 56.435 54.840 -0.027 0.000 0.772 224 L CB -0.020 42.017 42.059 -0.037 0.000 0.902 224 L HN -0.685 7.386 8.230 -0.135 0.078 0.439 225 G N -4.060 104.728 108.800 -0.020 0.000 3.530 225 G HA2 -0.045 nan 3.960 nan 0.000 0.269 225 G HA3 -0.045 nan 3.960 nan 0.000 0.269 225 G C -1.015 173.882 174.900 -0.005 0.000 1.314 225 G CA -1.126 43.965 45.100 -0.016 0.000 1.441 225 G HN -0.102 8.100 8.290 -0.073 0.044 0.595 226 H N 1.375 120.358 119.070 -0.144 0.000 2.384 226 H HA -0.457 nan 4.556 nan 0.000 0.305 226 H C -1.021 174.175 175.328 -0.220 0.000 0.672 226 H CA 1.175 57.124 56.048 -0.165 0.000 1.187 226 H CB -1.068 28.593 29.762 -0.169 0.000 1.393 226 H HN -0.431 7.912 8.280 0.310 0.124 0.576 227 G N -4.974 103.714 108.800 -0.185 0.000 2.359 227 G HA2 -0.145 nan 3.960 nan 0.000 0.293 227 G HA3 -0.145 nan 3.960 nan 0.000 0.293 227 G C -1.555 173.205 174.900 -0.233 0.000 1.300 227 G CA -0.412 44.500 45.100 -0.314 0.000 0.888 227 G HN -0.539 7.658 8.290 -0.155 0.000 0.541 228 V N 0.237 120.000 119.914 -0.250 0.000 1.983 228 V HA -0.170 nan 4.120 nan 0.000 0.237 228 V C -0.338 175.694 176.094 -0.103 0.000 1.601 228 V CA 0.513 62.742 62.300 -0.119 0.000 1.566 228 V CB -2.595 29.196 31.823 -0.054 0.000 1.557 228 V HN 0.470 8.478 8.190 -0.303 0.000 0.500 229 D N 1.967 122.290 120.400 -0.127 0.000 2.328 229 D HA -0.087 nan 4.640 nan 0.000 0.221 229 D C -0.047 176.157 176.300 -0.160 0.000 1.072 229 D CA -0.661 53.268 54.000 -0.118 0.000 0.850 229 D CB 0.416 41.154 40.800 -0.103 0.000 0.922 229 D HN 0.212 8.455 8.370 -0.127 0.051 0.516 230 L N -4.804 116.234 121.223 -0.309 0.000 3.970 230 L HA -0.451 nan 4.340 nan 0.000 0.425 230 L C 0.759 177.374 176.870 -0.425 0.000 1.162 230 L CA 0.309 54.818 54.840 -0.553 0.000 0.968 230 L CB -2.645 39.266 42.059 -0.247 0.000 1.896 230 L HN -0.075 7.973 8.230 -0.297 0.003 1.006 231 N N 0.880 119.373 118.700 -0.345 0.000 2.223 231 N HA -0.368 nan 4.740 nan 0.000 0.185 231 N C 0.798 176.187 175.510 -0.202 0.000 1.016 231 N CA 3.277 56.217 53.050 -0.184 0.000 0.863 231 N CB -0.306 38.084 38.487 -0.162 0.000 0.983 231 N HN 0.105 8.514 8.380 -0.346 -0.237 0.429 232 H N -2.570 116.354 119.070 -0.244 0.000 2.422 232 H HA -0.261 nan 4.556 nan 0.000 0.298 232 H C 1.704 176.851 175.328 -0.302 0.000 1.098 232 H CA 1.971 57.787 56.048 -0.386 0.000 1.315 232 H CB -0.955 28.540 29.762 -0.446 0.000 1.382 232 H HN -0.184 7.714 8.280 -0.595 0.025 0.523 233 I N -0.912 119.685 120.570 0.045 0.000 2.494 233 I HA -0.294 nan 4.170 nan 0.000 0.250 233 I C 0.777 176.715 176.117 -0.298 0.000 1.112 233 I CA 2.256 63.466 61.300 -0.150 0.000 1.438 233 I CB 0.761 38.454 38.000 -0.513 0.000 1.111 233 I HN -0.570 7.354 8.210 -0.243 0.140 0.431 234 Y N -3.034 117.229 120.300 -0.062 0.000 2.495 234 Y HA -0.040 nan 4.550 nan 0.000 0.293 234 Y C -0.041 175.836 175.900 -0.039 0.000 1.186 234 Y CA -0.701 57.380 58.100 -0.032 0.000 1.266 234 Y CB -0.284 38.170 38.460 -0.011 0.000 1.101 234 Y HN -0.695 7.541 8.280 -0.072 0.000 0.517 235 G N -0.450 108.373 108.800 0.039 0.000 2.722 235 G HA2 -0.391 nan 3.960 nan 0.000 0.686 235 G HA3 -0.391 nan 3.960 nan 0.000 0.686 235 G C -0.431 174.447 174.900 -0.037 0.000 1.282 235 G CA -0.163 44.930 45.100 -0.012 0.000 0.817 235 G HN -0.597 7.629 8.290 -0.016 0.054 0.605 236 E N 0.813 120.971 120.200 -0.071 0.000 2.478 236 E HA -0.067 nan 4.350 nan 0.000 0.198 236 E C 0.012 176.568 176.600 -0.073 0.000 1.046 236 E CA 1.586 57.936 56.400 -0.083 0.000 0.870 236 E CB 0.165 29.807 29.700 -0.096 0.000 0.818 236 E HN 0.629 8.944 8.360 -0.075 0.000 0.527 237 T N -5.246 109.267 114.554 -0.068 0.000 2.529 237 T HA 0.177 nan 4.350 nan 0.000 0.224 237 T C -1.585 173.050 174.700 -0.109 0.000 0.791 237 T CA -1.113 60.939 62.100 -0.080 0.000 1.241 237 T CB 1.758 70.579 68.868 -0.078 0.000 1.554 237 T HN -0.686 7.448 8.240 -0.060 0.070 0.491 238 L N -2.121 119.005 121.223 -0.161 0.000 2.515 238 L HA 0.538 nan 4.340 nan 0.000 0.202 238 L C 0.985 177.602 176.870 -0.421 0.000 1.056 238 L CA 1.109 55.758 54.840 -0.318 0.000 0.847 238 L CB 0.793 42.696 42.059 -0.261 0.000 1.131 238 L HN -0.072 8.077 8.230 -0.136 0.000 0.484 239 D N 0.113 120.392 120.400 -0.202 0.000 2.104 239 D HA -0.325 nan 4.640 nan 0.000 0.194 239 D C 2.480 178.761 176.300 -0.032 0.000 0.994 239 D CA 4.188 58.142 54.000 -0.078 0.000 0.830 239 D CB -0.075 40.709 40.800 -0.028 0.000 0.959 239 D HN 0.057 8.339 8.370 -0.148 0.000 0.452 240 R N -1.227 119.242 120.500 -0.051 0.000 2.115 240 R HA -0.206 nan 4.340 nan 0.000 0.226 240 R C 1.423 177.714 176.300 -0.015 0.000 1.100 240 R CA 2.309 58.397 56.100 -0.021 0.000 0.980 240 R CB 0.000 30.282 30.300 -0.030 0.000 0.875 240 R HN -0.197 8.029 8.270 -0.073 0.000 0.445 241 Q N -2.424 117.343 119.800 -0.055 0.000 2.170 241 Q HA -0.238 nan 4.340 nan 0.000 0.203 241 Q C 2.660 178.647 176.000 -0.023 0.000 0.976 241 Q CA 2.815 58.605 55.803 -0.021 0.000 0.858 241 Q CB -0.043 28.657 28.738 -0.063 0.000 0.907 241 Q HN -0.000 8.125 8.270 -0.105 0.082 0.433 242 H N -0.035 119.009 119.070 -0.043 0.000 2.357 242 H HA -0.105 nan 4.556 nan 0.000 0.301 242 H C 2.494 177.767 175.328 -0.090 0.000 1.082 242 H CA 2.028 58.069 56.048 -0.011 0.000 1.342 242 H CB -0.069 29.806 29.762 0.188 0.000 1.389 242 H HN 0.191 8.299 8.280 -0.103 0.111 0.511 243 K N -1.040 119.420 120.400 0.099 0.000 2.616 243 K HA -0.156 nan 4.320 nan 0.000 0.192 243 K C 1.053 177.645 176.600 -0.013 0.000 1.031 243 K CA 1.960 58.273 56.287 0.045 0.000 1.004 243 K CB -0.437 32.093 32.500 0.050 0.000 0.810 243 K HN -0.554 7.680 8.250 0.110 0.082 0.497 244 L N -3.899 117.289 121.223 -0.059 0.000 2.840 244 L HA 0.099 nan 4.340 nan 0.000 0.249 244 L C -0.816 175.968 176.870 -0.143 0.000 1.119 244 L CA -0.699 54.106 54.840 -0.059 0.000 0.930 244 L CB 1.850 43.907 42.059 -0.003 0.000 1.295 244 L HN -0.664 7.421 8.230 -0.072 0.102 0.534 245 R N 0.013 120.322 120.500 -0.318 0.000 2.490 245 R HA 0.023 nan 4.340 nan 0.000 0.278 245 R C -0.288 175.649 176.300 -0.604 0.000 1.069 245 R CA 0.765 56.556 56.100 -0.515 0.000 1.080 245 R CB 1.167 30.935 30.300 -0.888 0.000 1.030 245 R HN -0.628 7.316 8.270 -0.345 0.119 0.491 246 L N 4.502 125.505 121.223 -0.367 0.000 2.270 246 L HA -0.044 nan 4.340 nan 0.000 0.210 246 L C -0.570 176.262 176.870 -0.064 0.000 1.104 246 L CA 0.560 55.277 54.840 -0.205 0.000 0.804 246 L CB 0.892 42.859 42.059 -0.153 0.000 0.937 246 L HN 0.326 8.406 8.230 -0.250 0.000 0.450 247 F N -5.175 114.763 119.950 -0.020 0.000 3.040 247 F HA -0.340 nan 4.527 nan 0.000 0.298 247 F C -1.274 174.526 175.800 0.000 0.000 0.948 247 F CA 1.107 59.084 58.000 -0.038 0.000 1.022 247 F CB -2.561 36.387 39.000 -0.086 0.000 1.023 247 F HN -0.690 7.373 8.300 -0.340 0.033 0.742 248 K N -0.300 120.202 120.400 0.171 0.000 2.616 248 K HA 0.083 nan 4.320 nan 0.000 0.255 248 K C -1.596 175.094 176.600 0.150 0.000 0.995 248 K CA -0.348 56.021 56.287 0.135 0.000 0.860 248 K CB 2.476 35.028 32.500 0.088 0.000 1.264 248 K HN -0.495 7.882 8.250 0.140 -0.042 0.451 249 D N 1.487 121.985 120.400 0.164 0.000 3.039 249 D HA -0.323 nan 4.640 nan 0.000 0.222 249 D C -0.112 176.324 176.300 0.228 0.000 1.179 249 D CA 1.430 55.540 54.000 0.183 0.000 0.880 249 D CB -1.428 39.467 40.800 0.159 0.000 1.115 249 D HN 0.797 9.259 8.370 0.154 0.000 0.416 250 G N -6.272 102.688 108.800 0.266 0.000 2.184 250 G HA2 -0.551 nan 3.960 nan 0.000 0.264 250 G HA3 -0.551 nan 3.960 nan 0.000 0.264 250 G C -0.536 174.653 174.900 0.482 0.000 0.975 250 G CA 0.279 45.606 45.100 0.378 0.000 0.642 250 G HN 0.008 8.570 8.290 0.240 -0.129 0.536 251 K N 0.453 121.053 120.400 0.333 0.000 2.319 251 K HA -0.039 nan 4.320 nan 0.000 0.265 251 K C -1.190 175.544 176.600 0.222 0.000 1.000 251 K CA 0.107 56.586 56.287 0.320 0.000 0.943 251 K CB 0.568 33.164 32.500 0.160 0.000 0.950 251 K HN -0.227 7.974 8.250 0.248 0.198 0.485 252 L N 2.139 123.480 121.223 0.197 0.000 2.334 252 L HA 0.355 nan 4.340 nan 0.000 0.277 252 L C -0.349 176.471 176.870 -0.083 0.000 1.075 252 L CA -1.970 52.889 54.840 0.032 0.000 0.804 252 L CB 1.014 43.071 42.059 -0.004 0.000 1.174 252 L HN -0.239 8.520 8.230 0.334 -0.329 0.438 253 K N 6.196 126.512 120.400 -0.140 0.000 2.355 253 K HA -0.046 nan 4.320 nan 0.000 0.270 253 K C -1.689 174.843 176.600 -0.114 0.000 1.003 253 K CA 1.173 57.318 56.287 -0.236 0.000 0.957 253 K CB 1.197 33.611 32.500 -0.143 0.000 0.939 253 K HN 0.418 8.504 8.250 -0.106 0.100 0.482 254 Y N -0.820 119.484 120.300 0.006 0.000 2.900 254 Y HA 0.427 nan 4.550 nan 0.000 0.318 254 Y C -2.276 173.623 175.900 -0.002 0.000 1.457 254 Y CA -1.769 56.322 58.100 -0.015 0.000 1.082 254 Y CB 1.714 40.157 38.460 -0.027 0.000 1.419 254 Y HN -0.442 7.527 8.280 -0.518 0.000 0.459 255 Q N -3.274 116.754 119.800 0.381 0.000 2.386 255 Q HA 0.292 nan 4.340 nan 0.000 0.274 255 Q C -2.441 173.636 176.000 0.128 0.000 1.011 255 Q CA -1.047 54.911 55.803 0.257 0.000 0.867 255 Q CB 4.219 33.062 28.738 0.176 0.000 1.409 255 Q HN 0.509 8.843 8.270 0.234 0.076 0.395 256 V N 3.771 123.746 119.914 0.101 0.000 2.383 256 V HA 0.499 nan 4.120 nan 0.000 0.275 256 V C -0.673 175.482 176.094 0.102 0.000 1.036 256 V CA -0.488 61.840 62.300 0.048 0.000 0.889 256 V CB 0.366 32.184 31.823 -0.009 0.000 0.985 256 V HN 0.487 8.757 8.190 0.133 0.000 0.459 257 I N 7.653 128.324 120.570 0.168 0.000 2.359 257 I HA 0.159 nan 4.170 nan 0.000 0.284 257 I C 0.774 176.968 176.117 0.129 0.000 1.018 257 I CA -0.978 60.415 61.300 0.155 0.000 1.173 257 I CB 0.247 38.347 38.000 0.167 0.000 1.326 257 I HN 0.709 9.051 8.210 0.221 0.000 0.462 258 G N 8.496 117.340 108.800 0.072 0.000 2.451 258 G HA2 -0.423 nan 3.960 nan 0.000 0.253 258 G HA3 -0.423 nan 3.960 nan 0.000 0.253 258 G C 0.233 175.158 174.900 0.042 0.000 1.033 258 G CA 1.142 46.275 45.100 0.054 0.000 0.633 258 G HN 0.749 9.076 8.290 0.061 0.000 0.537 259 G N -0.935 107.890 108.800 0.041 0.000 4.226 259 G HA2 -0.116 nan 3.960 nan 0.000 0.220 259 G HA3 -0.116 nan 3.960 nan 0.000 0.220 259 G C -1.209 173.666 174.900 -0.042 0.000 0.817 259 G CA -0.168 44.931 45.100 -0.000 0.000 0.879 259 G HN -0.066 8.144 8.290 0.070 0.122 0.669 260 E N 0.675 120.862 120.200 -0.022 0.000 2.244 260 E HA 0.405 nan 4.350 nan 0.000 0.266 260 E C -1.463 174.938 176.600 -0.332 0.000 0.914 260 E CA -2.058 54.226 56.400 -0.195 0.000 0.794 260 E CB 2.631 32.190 29.700 -0.235 0.000 1.210 260 E HN -0.293 8.116 8.360 0.082 0.000 0.414 261 V N 1.634 121.247 119.914 -0.500 0.000 2.488 261 V HA 0.165 nan 4.120 nan 0.000 0.277 261 V C -0.849 174.814 176.094 -0.718 0.000 1.046 261 V CA 0.070 62.074 62.300 -0.494 0.000 0.986 261 V CB -0.221 31.304 31.823 -0.496 0.000 0.989 261 V HN 0.341 8.246 8.190 -0.476 0.000 0.475 262 Y N 6.571 126.749 120.300 -0.204 0.000 2.545 262 Y HA 0.419 nan 4.550 nan 0.000 0.348 262 Y C -2.897 172.816 175.900 -0.312 0.000 1.002 262 Y CA -3.205 54.671 58.100 -0.373 0.000 1.039 262 Y CB 3.217 41.359 38.460 -0.530 0.000 1.271 262 Y HN 0.813 8.910 8.280 -0.122 0.110 0.467 263 P HA 0.022 nan 4.420 nan 0.000 0.267 263 P C -2.356 174.939 177.300 -0.008 0.000 1.201 263 P CA -0.614 62.418 63.100 -0.113 0.000 0.775 263 P CB -0.688 30.949 31.700 -0.105 0.000 0.854 264 P HA 0.010 nan 4.420 nan 0.000 0.271 264 P C -1.362 176.050 177.300 0.187 0.000 1.233 264 P CA -0.707 62.461 63.100 0.112 0.000 0.789 264 P CB 1.275 33.013 31.700 0.064 0.000 0.951 265 T N -6.271 108.387 114.554 0.174 0.000 2.909 265 T HA 0.169 nan 4.350 nan 0.000 0.286 265 T C 1.112 175.881 174.700 0.115 0.000 1.002 265 T CA -1.595 60.608 62.100 0.172 0.000 1.074 265 T CB 2.008 70.944 68.868 0.114 0.000 0.984 265 T HN -0.320 8.001 8.240 0.134 0.000 0.495 266 V N 3.689 123.669 119.914 0.111 0.000 2.380 266 V HA -0.381 nan 4.120 nan 0.000 0.251 266 V C 0.688 176.814 176.094 0.053 0.000 1.063 266 V CA 3.568 65.922 62.300 0.090 0.000 1.055 266 V CB -0.262 31.623 31.823 0.104 0.000 0.657 266 V HN 0.660 8.923 8.190 0.122 0.000 0.455 267 K N -2.664 117.756 120.400 0.033 0.000 2.097 267 K HA -0.274 nan 4.320 nan 0.000 0.206 267 K C 0.953 177.571 176.600 0.029 0.000 1.049 267 K CA 2.586 58.885 56.287 0.020 0.000 0.933 267 K CB -0.026 32.476 32.500 0.004 0.000 0.717 267 K HN 0.079 8.332 8.250 0.026 0.014 0.442 268 D N -2.398 118.026 120.400 0.041 0.000 2.107 268 D HA -0.060 nan 4.640 nan 0.000 0.204 268 D C 0.518 176.841 176.300 0.039 0.000 0.978 268 D CA 1.923 55.948 54.000 0.041 0.000 0.852 268 D CB 1.471 42.302 40.800 0.051 0.000 1.008 268 D HN -0.669 7.601 8.370 0.051 0.131 0.458 269 T N -1.731 112.850 114.554 0.046 0.000 2.762 269 T HA 0.323 nan 4.350 nan 0.000 0.303 269 T C 1.278 176.004 174.700 0.043 0.000 0.977 269 T CA -1.112 61.011 62.100 0.039 0.000 0.961 269 T CB -0.346 68.542 68.868 0.034 0.000 0.944 269 T HN 0.002 8.277 8.240 0.058 0.000 0.481 270 Q N 4.541 124.364 119.800 0.037 0.000 2.632 270 Q HA -0.284 nan 4.340 nan 0.000 0.220 270 Q C 0.172 176.192 176.000 0.034 0.000 0.980 270 Q CA 1.082 56.906 55.803 0.034 0.000 0.934 270 Q CB -1.412 27.343 28.738 0.028 0.000 0.979 270 Q HN 0.610 8.901 8.270 0.036 0.000 0.557 271 V N 0.151 120.087 119.914 0.038 0.000 2.475 271 V HA -0.188 nan 4.120 nan 0.000 0.292 271 V C -0.644 175.471 176.094 0.035 0.000 1.003 271 V CA 0.197 62.516 62.300 0.031 0.000 1.120 271 V CB 0.269 32.111 31.823 0.032 0.000 0.937 271 V HN -0.371 7.727 8.190 0.040 0.116 0.476 272 E N 7.594 127.805 120.200 0.018 0.000 2.413 272 E HA -0.021 nan 4.350 nan 0.000 0.263 272 E C -1.397 175.208 176.600 0.009 0.000 1.015 272 E CA 1.117 57.527 56.400 0.016 0.000 0.916 272 E CB 0.970 30.669 29.700 -0.002 0.000 0.947 272 E HN 0.140 8.505 8.360 0.010 0.000 0.440 273 M N -0.483 119.128 119.600 0.018 0.000 2.744 273 M HA 0.544 nan 4.480 nan 0.000 0.283 273 M C -0.682 175.562 176.300 -0.093 0.000 1.275 273 M CA -1.874 53.402 55.300 -0.041 0.000 0.796 273 M CB 4.661 37.274 32.600 0.022 0.000 1.739 273 M HN 0.054 8.367 8.290 0.039 0.000 0.454 274 I N 0.881 121.297 120.570 -0.257 0.000 2.420 274 I HA 0.118 nan 4.170 nan 0.000 0.282 274 I C -1.992 173.884 176.117 -0.402 0.000 1.019 274 I CA -0.362 60.802 61.300 -0.227 0.000 1.130 274 I CB 0.306 38.213 38.000 -0.155 0.000 1.262 274 I HN -0.076 7.906 8.210 -0.379 0.000 0.454 275 Y N 5.736 125.966 120.300 -0.117 0.000 2.504 275 Y HA 0.336 nan 4.550 nan 0.000 0.344 275 Y C -2.239 173.481 175.900 -0.300 0.000 1.023 275 Y CA -3.167 54.814 58.100 -0.198 0.000 1.020 275 Y CB 1.941 40.296 38.460 -0.175 0.000 1.282 275 Y HN -0.038 8.236 8.280 -0.009 0.000 0.454 276 P HA 0.196 nan 4.420 nan 0.000 0.264 276 P C -1.838 175.152 177.300 -0.516 0.000 1.193 276 P CA -1.276 61.543 63.100 -0.470 0.000 0.763 276 P CB -0.195 31.099 31.700 -0.676 0.000 0.810 277 P HA -0.117 nan 4.420 nan 0.000 0.229 277 P C -1.276 176.016 177.300 -0.012 0.000 1.597 277 P CA 1.106 64.144 63.100 -0.102 0.000 1.030 277 P CB -1.659 30.029 31.700 -0.020 0.000 1.897 278 H N -5.496 113.547 119.070 -0.045 0.000 2.423 278 H HA 0.018 nan 4.556 nan 0.000 0.162 278 H C -0.364 174.925 175.328 -0.066 0.000 1.008 278 H CA -0.455 55.567 56.048 -0.044 0.000 0.723 278 H CB 0.755 30.500 29.762 -0.029 0.000 0.681 278 H HN 0.381 8.405 8.280 -0.352 0.044 0.481 279 I N 6.497 126.854 120.570 -0.354 0.000 2.821 279 I HA -0.081 nan 4.170 nan 0.000 0.294 279 I C 0.188 176.190 176.117 -0.191 0.000 1.210 279 I CA -0.612 60.536 61.300 -0.253 0.000 1.430 279 I CB -0.255 37.502 38.000 -0.406 0.000 1.356 279 I HN -0.051 7.742 8.210 -0.694 0.000 0.563 280 P HA -0.237 nan 4.420 nan 0.000 0.224 280 P C -1.088 176.118 177.300 -0.157 0.000 1.138 280 P CA 1.193 64.213 63.100 -0.133 0.000 0.780 280 P CB -0.206 31.411 31.700 -0.137 0.000 0.755 281 E N -7.565 112.502 120.200 -0.222 0.000 3.799 281 E HA -0.383 nan 4.350 nan 0.000 0.320 281 E C -0.354 176.132 176.600 -0.191 0.000 0.760 281 E CA 1.506 57.788 56.400 -0.197 0.000 1.153 281 E CB -1.256 28.378 29.700 -0.111 0.000 1.589 281 E HN -0.284 7.793 8.360 -0.278 0.116 0.448 282 N N -3.077 115.484 118.700 -0.232 0.000 2.397 282 N HA -0.015 nan 4.740 nan 0.000 0.190 282 N C 0.441 175.719 175.510 -0.386 0.000 1.099 282 N CA 0.408 53.340 53.050 -0.197 0.000 0.876 282 N CB 0.158 38.559 38.487 -0.143 0.000 1.143 282 N HN -0.080 8.040 8.380 -0.252 0.109 0.468 283 L N 1.422 122.310 121.223 -0.558 0.000 1.973 283 L HA -0.038 nan 4.340 nan 0.000 0.208 283 L C -0.677 175.501 176.870 -1.155 0.000 1.073 283 L CA 2.596 56.881 54.840 -0.924 0.000 0.746 283 L CB -1.307 40.279 42.059 -0.787 0.000 0.891 283 L HN -0.328 7.629 8.230 -0.455 0.000 0.433 284 Q N -0.806 118.358 119.800 -1.061 0.000 3.239 284 Q HA -0.313 nan 4.340 nan 0.000 0.348 284 Q C -1.304 174.634 176.000 -0.103 0.000 1.125 284 Q CA 0.874 56.123 55.803 -0.923 0.000 1.204 284 Q CB -2.217 26.238 28.738 -0.473 0.000 1.168 284 Q HN 0.279 7.968 8.270 -0.968 0.000 0.411 285 F N 0.932 120.958 119.950 0.126 0.000 2.389 285 F HA 0.086 nan 4.527 nan 0.000 0.337 285 F C 0.253 176.190 175.800 0.228 0.000 1.112 285 F CA -1.525 56.578 58.000 0.172 0.000 1.192 285 F CB 0.547 39.642 39.000 0.158 0.000 1.185 285 F HN 0.185 8.483 8.300 0.010 0.008 0.552 286 A N 4.044 127.070 122.820 0.343 0.000 1.871 286 A HA -0.070 nan 4.320 nan 0.000 0.211 286 A C 0.603 178.270 177.584 0.138 0.000 1.207 286 A CA 2.916 55.072 52.037 0.198 0.000 0.620 286 A CB -0.041 19.040 19.000 0.134 0.000 0.860 286 A HN 0.797 9.145 8.150 0.330 0.000 0.450 287 V N -6.487 113.502 119.914 0.125 0.000 0.523 287 V HA -0.499 nan 4.120 nan 0.000 0.092 287 V C 1.117 177.229 176.094 0.030 0.000 2.217 287 V CA 2.300 64.658 62.300 0.097 0.000 3.561 287 V CB -1.592 30.340 31.823 0.181 0.000 0.853 287 V HN 0.402 8.667 8.190 0.124 0.000 0.890 288 G N 0.523 109.312 108.800 -0.017 0.000 4.020 288 G HA2 -0.158 nan 3.960 nan 0.000 0.195 288 G HA3 -0.158 nan 3.960 nan 0.000 0.195 288 G C -1.279 173.510 174.900 -0.184 0.000 1.819 288 G CA -0.103 44.950 45.100 -0.078 0.000 1.109 288 G HN 0.094 8.330 8.290 -0.007 0.051 0.385 289 Q N 3.824 123.391 119.800 -0.389 0.000 2.361 289 Q HA 0.120 nan 4.340 nan 0.000 0.250 289 Q C 0.277 176.014 176.000 -0.439 0.000 1.023 289 Q CA -1.127 54.309 55.803 -0.612 0.000 0.915 289 Q CB 0.054 27.902 28.738 -1.483 0.000 1.238 289 Q HN -0.274 7.753 8.270 -0.404 0.000 0.451 290 E N 7.523 127.582 120.200 -0.236 0.000 2.301 290 E HA -0.464 nan 4.350 nan 0.000 0.202 290 E C 0.898 177.427 176.600 -0.118 0.000 1.017 290 E CA 3.275 59.587 56.400 -0.146 0.000 0.831 290 E CB 0.115 29.752 29.700 -0.105 0.000 0.742 290 E HN 0.178 8.568 8.360 -0.212 -0.156 0.491 291 V N -0.658 119.222 119.914 -0.057 0.000 2.599 291 V HA -0.200 nan 4.120 nan 0.000 0.245 291 V C 1.358 177.573 176.094 0.200 0.000 1.046 291 V CA 3.192 65.538 62.300 0.077 0.000 1.065 291 V CB -0.350 31.582 31.823 0.182 0.000 0.703 291 V HN -0.272 8.081 8.190 -0.126 -0.239 0.464 292 F N -1.103 118.839 119.950 -0.013 0.000 2.331 292 F HA -0.369 nan 4.527 nan 0.000 0.299 292 F C 1.484 177.261 175.800 -0.038 0.000 1.041 292 F CA 0.833 58.831 58.000 -0.004 0.000 1.417 292 F CB -1.649 37.372 39.000 0.035 0.000 1.102 292 F HN -0.222 8.233 8.300 0.259 0.000 0.558 293 G N -3.804 105.017 108.800 0.035 0.000 2.712 293 G HA2 -0.202 nan 3.960 nan 0.000 0.212 293 G HA3 -0.202 nan 3.960 nan 0.000 0.212 293 G C 0.529 175.445 174.900 0.026 0.000 1.142 293 G CA 0.417 45.471 45.100 -0.075 0.000 0.789 293 G HN -0.435 7.738 8.290 -0.056 0.083 0.535 294 L N -0.812 120.448 121.223 0.061 0.000 2.610 294 L HA 0.059 nan 4.340 nan 0.000 0.232 294 L C -1.242 175.630 176.870 0.003 0.000 1.149 294 L CA 0.551 55.540 54.840 0.249 0.000 0.872 294 L CB 0.084 42.344 42.059 0.336 0.000 0.992 294 L HN -0.039 8.169 8.230 0.045 0.049 0.447 295 V N -2.333 117.518 119.914 -0.105 0.000 2.697 295 V HA 0.159 nan 4.120 nan 0.000 0.296 295 V C -2.421 173.422 176.094 -0.418 0.000 1.140 295 V CA -1.595 60.525 62.300 -0.301 0.000 0.921 295 V CB 1.725 33.421 31.823 -0.211 0.000 1.036 295 V HN -0.891 7.188 8.190 -0.054 0.079 0.438 296 P HA -0.212 nan 4.420 nan 0.000 0.220 296 P C 0.989 177.999 177.300 -0.483 0.000 1.144 296 P CA 2.930 65.682 63.100 -0.580 0.000 0.800 296 P CB 0.261 31.439 31.700 -0.870 0.000 0.772 297 G N -2.906 105.481 108.800 -0.688 0.000 2.394 297 G HA2 -0.163 nan 3.960 nan 0.000 0.214 297 G HA3 -0.163 nan 3.960 nan 0.000 0.214 297 G C 1.349 175.866 174.900 -0.639 0.000 1.176 297 G CA 1.606 46.129 45.100 -0.961 0.000 0.786 297 G HN 0.083 7.840 8.290 -0.812 0.046 0.533 298 L N 2.546 123.425 121.223 -0.573 0.000 1.956 298 L HA -0.277 nan 4.340 nan 0.000 0.216 298 L C 2.234 178.962 176.870 -0.237 0.000 1.073 298 L CA 2.223 56.816 54.840 -0.412 0.000 0.762 298 L CB -0.717 41.060 42.059 -0.471 0.000 0.889 298 L HN -0.493 7.344 8.230 -0.654 0.000 0.433 299 M N -1.822 117.688 119.600 -0.150 0.000 2.255 299 M HA -0.425 nan 4.480 nan 0.000 0.259 299 M C 1.730 177.966 176.300 -0.107 0.000 1.071 299 M CA 2.853 58.139 55.300 -0.022 0.000 1.074 299 M CB -0.496 32.131 32.600 0.045 0.000 1.384 299 M HN -0.611 7.571 8.290 -0.181 0.000 0.415 300 M N -1.629 117.813 119.600 -0.264 0.000 2.156 300 M HA -0.309 nan 4.480 nan 0.000 0.264 300 M C 1.986 178.127 176.300 -0.266 0.000 1.067 300 M CA 3.990 59.076 55.300 -0.357 0.000 1.131 300 M CB -0.484 31.809 32.600 -0.512 0.000 1.368 300 M HN -0.851 7.077 8.290 -0.314 0.173 0.416 301 Y N -1.482 118.650 120.300 -0.281 0.000 2.293 301 Y HA -0.324 nan 4.550 nan 0.000 0.291 301 Y C 1.728 177.467 175.900 -0.268 0.000 1.137 301 Y CA 2.113 59.968 58.100 -0.408 0.000 1.202 301 Y CB -0.866 37.146 38.460 -0.747 0.000 0.990 301 Y HN -0.204 7.854 8.280 -0.238 0.080 0.537 302 A N -1.475 121.389 122.820 0.072 0.000 1.873 302 A HA -0.346 nan 4.320 nan 0.000 0.215 302 A C 1.859 179.530 177.584 0.145 0.000 1.186 302 A CA 3.615 55.812 52.037 0.267 0.000 0.616 302 A CB -0.942 18.237 19.000 0.299 0.000 0.823 302 A HN -0.036 8.120 8.150 0.009 0.000 0.442 303 T N 1.509 116.072 114.554 0.015 0.000 2.881 303 T HA -0.298 nan 4.350 nan 0.000 0.270 303 T C 2.141 176.785 174.700 -0.094 0.000 1.068 303 T CA 4.514 66.567 62.100 -0.079 0.000 1.131 303 T CB -0.824 67.948 68.868 -0.160 0.000 0.871 303 T HN -0.573 7.662 8.240 -0.008 0.000 0.479 304 I N 1.439 121.952 120.570 -0.095 0.000 2.094 304 I HA -0.413 nan 4.170 nan 0.000 0.234 304 I C 1.497 177.551 176.117 -0.106 0.000 1.063 304 I CA 2.361 63.556 61.300 -0.175 0.000 1.328 304 I CB -1.260 36.571 38.000 -0.282 0.000 1.058 304 I HN -0.663 7.352 8.210 -0.073 0.151 0.400 305 W N -1.483 119.841 121.300 0.040 0.000 2.318 305 W HA -0.429 nan 4.660 nan 0.000 0.313 305 W C 2.382 178.929 176.519 0.047 0.000 1.221 305 W CA 3.351 60.733 57.345 0.062 0.000 1.266 305 W CB -0.448 29.068 29.460 0.094 0.000 1.150 305 W HN -0.461 7.698 8.180 -0.036 0.000 0.496 306 L N -1.496 119.871 121.223 0.239 0.000 2.021 306 L HA -0.524 nan 4.340 nan 0.000 0.215 306 L C 1.414 178.384 176.870 0.166 0.000 1.074 306 L CA 4.007 58.934 54.840 0.146 0.000 0.760 306 L CB -0.304 41.803 42.059 0.079 0.000 0.889 306 L HN 0.642 9.017 8.230 0.241 0.000 0.433 307 R N -2.881 117.669 120.500 0.084 0.000 2.075 307 R HA -0.410 nan 4.340 nan 0.000 0.232 307 R C 2.198 178.559 176.300 0.102 0.000 1.126 307 R CA 3.429 59.559 56.100 0.049 0.000 0.963 307 R CB -0.599 29.661 30.300 -0.067 0.000 0.858 307 R HN -0.564 7.656 8.270 0.037 0.072 0.435 308 E N -0.571 119.701 120.200 0.120 0.000 2.097 308 E HA -0.339 nan 4.350 nan 0.000 0.196 308 E C 2.076 178.802 176.600 0.211 0.000 1.000 308 E CA 2.781 59.272 56.400 0.152 0.000 0.804 308 E CB -0.478 29.341 29.700 0.200 0.000 0.740 308 E HN -0.224 8.117 8.360 0.100 0.079 0.454 309 H N -0.142 119.042 119.070 0.191 0.000 2.254 309 H HA -0.450 nan 4.556 nan 0.000 0.294 309 H C 2.403 177.833 175.328 0.171 0.000 1.071 309 H CA 4.118 60.279 56.048 0.188 0.000 1.228 309 H CB 0.111 29.980 29.762 0.178 0.000 1.358 309 H HN 0.081 8.573 8.280 0.368 0.009 0.495 310 Q N -1.864 118.112 119.800 0.293 0.000 2.082 310 Q HA -0.465 nan 4.340 nan 0.000 0.211 310 Q C 2.403 178.478 176.000 0.125 0.000 1.002 310 Q CA 3.430 59.368 55.803 0.225 0.000 0.868 310 Q CB -0.619 28.288 28.738 0.282 0.000 0.931 310 Q HN -0.500 8.002 8.270 0.387 0.000 0.414 311 R N -0.737 119.824 120.500 0.103 0.000 2.103 311 R HA -0.397 nan 4.340 nan 0.000 0.242 311 R C 2.386 178.724 176.300 0.063 0.000 1.142 311 R CA 3.374 59.515 56.100 0.069 0.000 0.960 311 R CB -0.076 30.255 30.300 0.052 0.000 0.858 311 R HN -0.353 7.987 8.270 0.117 0.000 0.439 312 V N -0.578 119.367 119.914 0.051 0.000 2.244 312 V HA -0.405 nan 4.120 nan 0.000 0.244 312 V C 1.902 178.025 176.094 0.048 0.000 1.042 312 V CA 4.241 66.569 62.300 0.046 0.000 1.006 312 V CB -0.699 31.138 31.823 0.024 0.000 0.641 312 V HN -0.181 7.952 8.190 0.054 0.089 0.446 313 C N 0.236 119.534 119.300 -0.003 0.000 2.381 313 C HA -0.560 nan 4.460 nan 0.000 0.273 313 C C 2.242 177.302 174.990 0.117 0.000 1.160 313 C CA 4.437 63.493 59.018 0.063 0.000 1.817 313 C CB -2.206 25.587 27.740 0.088 0.000 2.123 313 C HN 0.205 8.376 8.230 -0.098 0.000 0.464 314 D N -0.671 119.789 120.400 0.100 0.000 2.149 314 D HA -0.166 nan 4.640 nan 0.000 0.201 314 D C 2.245 178.591 176.300 0.077 0.000 0.972 314 D CA 3.451 57.507 54.000 0.093 0.000 0.835 314 D CB -0.648 40.200 40.800 0.080 0.000 0.966 314 D HN -0.010 8.395 8.370 0.089 0.019 0.476 315 I N -0.149 120.465 120.570 0.073 0.000 2.179 315 I HA -0.426 nan 4.170 nan 0.000 0.242 315 I C 2.640 178.801 176.117 0.073 0.000 1.088 315 I CA 3.242 64.579 61.300 0.062 0.000 1.357 315 I CB -0.008 38.033 38.000 0.069 0.000 1.051 315 I HN -0.087 8.077 8.210 0.075 0.092 0.409 316 L N -0.792 120.505 121.223 0.124 0.000 2.042 316 L HA -0.325 nan 4.340 nan 0.000 0.210 316 L C 2.113 179.071 176.870 0.146 0.000 1.076 316 L CA 2.951 57.903 54.840 0.187 0.000 0.749 316 L CB -1.026 41.212 42.059 0.297 0.000 0.893 316 L HN 0.233 8.428 8.230 0.124 0.109 0.432 317 K N -2.506 117.980 120.400 0.143 0.000 2.360 317 K HA -0.312 nan 4.320 nan 0.000 0.201 317 K C 0.798 177.421 176.600 0.039 0.000 1.046 317 K CA 2.476 58.837 56.287 0.123 0.000 0.945 317 K CB -0.093 32.486 32.500 0.132 0.000 0.750 317 K HN -0.001 8.120 8.250 0.142 0.215 0.464 318 Q N -3.682 116.118 119.800 -0.001 0.000 2.157 318 Q HA 0.175 nan 4.340 nan 0.000 0.229 318 Q C -0.153 175.771 176.000 -0.127 0.000 0.827 318 Q CA -0.250 55.524 55.803 -0.048 0.000 1.055 318 Q CB 0.067 28.794 28.738 -0.018 0.000 1.157 318 Q HN -0.658 7.465 8.270 0.019 0.158 0.482 319 E N -1.647 118.425 120.200 -0.213 0.000 2.421 319 E HA 0.082 nan 4.350 nan 0.000 0.209 319 E C -0.470 175.503 176.600 -1.046 0.000 0.871 319 E CA 0.446 56.569 56.400 -0.461 0.000 1.064 319 E CB 2.626 32.146 29.700 -0.299 0.000 1.075 319 E HN -0.169 7.913 8.360 -0.138 0.195 0.513 320 H N -0.719 118.095 119.070 -0.426 0.000 2.490 320 H HA 0.395 nan 4.556 nan 0.000 0.230 320 H C -1.668 173.509 175.328 -0.252 0.000 1.417 320 H CA -2.794 52.888 56.048 -0.610 0.000 1.449 320 H CB 0.074 28.821 29.762 -1.692 0.000 1.649 320 H HN -0.246 7.863 8.280 -0.286 0.000 0.519 321 P HA -0.163 nan 4.420 nan 0.000 0.226 321 P C -0.732 176.602 177.300 0.056 0.000 1.146 321 P CA 1.652 64.747 63.100 -0.008 0.000 0.773 321 P CB -0.172 31.507 31.700 -0.034 0.000 0.772 322 E N -7.131 113.112 120.200 0.072 0.000 2.558 322 E HA 0.077 nan 4.350 nan 0.000 0.205 322 E C -0.693 176.108 176.600 0.334 0.000 1.006 322 E CA -0.887 55.605 56.400 0.154 0.000 0.961 322 E CB -0.859 28.913 29.700 0.118 0.000 1.044 322 E HN -0.265 7.997 8.360 0.004 0.100 0.465 323 W N 0.762 122.131 121.300 0.115 0.000 2.253 323 W HA 0.136 nan 4.660 nan 0.000 0.348 323 W C 0.378 176.946 176.519 0.080 0.000 1.229 323 W CA -0.753 56.650 57.345 0.095 0.000 1.335 323 W CB 0.945 30.469 29.460 0.106 0.000 1.165 323 W HN 0.130 8.370 8.180 0.341 0.145 0.631 324 G N -0.582 108.359 108.800 0.235 0.000 2.537 324 G HA2 0.252 nan 3.960 nan 0.000 0.323 324 G HA3 0.252 nan 3.960 nan 0.000 0.323 324 G C -1.023 173.965 174.900 0.146 0.000 1.207 324 G CA -2.186 43.001 45.100 0.145 0.000 0.976 324 G HN 0.028 8.397 8.290 0.132 0.000 0.487 325 D N 0.064 120.549 120.400 0.142 0.000 2.127 325 D HA -0.437 nan 4.640 nan 0.000 0.190 325 D C 1.659 178.071 176.300 0.187 0.000 1.000 325 D CA 3.745 57.855 54.000 0.183 0.000 0.839 325 D CB -0.140 40.774 40.800 0.190 0.000 0.955 325 D HN 0.203 8.645 8.370 0.120 0.000 0.446 326 E N -2.395 117.874 120.200 0.115 0.000 2.171 326 E HA -0.338 nan 4.350 nan 0.000 0.197 326 E C 2.478 179.117 176.600 0.066 0.000 0.997 326 E CA 3.339 59.795 56.400 0.092 0.000 0.810 326 E CB -0.518 29.191 29.700 0.016 0.000 0.738 326 E HN 0.430 8.837 8.360 0.079 0.000 0.467 327 Q N 0.104 119.871 119.800 -0.054 0.000 2.049 327 Q HA -0.189 nan 4.340 nan 0.000 0.198 327 Q C 2.386 178.269 176.000 -0.194 0.000 0.971 327 Q CA 3.010 58.641 55.803 -0.285 0.000 0.833 327 Q CB -0.165 28.153 28.738 -0.700 0.000 0.896 327 Q HN -0.613 7.519 8.270 -0.035 0.117 0.434 328 L N -0.411 120.838 121.223 0.044 0.000 2.042 328 L HA -0.446 nan 4.340 nan 0.000 0.210 328 L C 2.168 179.166 176.870 0.213 0.000 1.076 328 L CA 3.158 58.138 54.840 0.233 0.000 0.749 328 L CB -0.317 41.934 42.059 0.320 0.000 0.893 328 L HN -0.355 7.929 8.230 0.089 0.000 0.432 329 F N -0.485 119.542 119.950 0.129 0.000 2.075 329 F HA -0.503 nan 4.527 nan 0.000 0.297 329 F C 1.338 177.205 175.800 0.111 0.000 1.113 329 F CA 4.121 62.242 58.000 0.202 0.000 1.218 329 F CB 0.184 39.285 39.000 0.169 0.000 0.984 329 F HN 0.315 8.835 8.300 0.379 0.008 0.472 330 Q N -3.144 116.833 119.800 0.295 0.000 2.224 330 Q HA -0.302 nan 4.340 nan 0.000 0.203 330 Q C 3.000 179.001 176.000 0.001 0.000 0.970 330 Q CA 3.009 58.886 55.803 0.123 0.000 0.865 330 Q CB -0.369 28.438 28.738 0.116 0.000 0.922 330 Q HN -0.249 8.231 8.270 0.351 0.000 0.445 331 T N 2.952 117.501 114.554 -0.008 0.000 2.896 331 T HA -0.101 nan 4.350 nan 0.000 0.263 331 T C 2.050 176.825 174.700 0.125 0.000 1.050 331 T CA 4.019 66.156 62.100 0.061 0.000 1.140 331 T CB -0.396 68.511 68.868 0.066 0.000 0.877 331 T HN 0.187 8.400 8.240 -0.023 0.014 0.457 332 S N 3.519 119.239 115.700 0.033 0.000 2.351 332 S HA -0.355 nan 4.470 nan 0.000 0.220 332 S C 1.200 175.828 174.600 0.047 0.000 1.035 332 S CA 4.264 62.443 58.200 -0.034 0.000 1.031 332 S CB -0.292 62.662 63.200 -0.410 0.000 0.928 332 S HN -0.048 8.267 8.310 0.009 0.000 0.433 333 K N 1.173 121.544 120.400 -0.048 0.000 2.189 333 K HA -0.356 nan 4.320 nan 0.000 0.207 333 K C 2.258 178.906 176.600 0.080 0.000 1.046 333 K CA 3.229 59.481 56.287 -0.058 0.000 0.928 333 K CB -0.118 32.037 32.500 -0.575 0.000 0.720 333 K HN -0.570 7.548 8.250 -0.220 0.000 0.458 334 L N -3.130 118.180 121.223 0.145 0.000 2.044 334 L HA -0.276 nan 4.340 nan 0.000 0.205 334 L C 2.054 179.093 176.870 0.282 0.000 1.075 334 L CA 2.668 57.694 54.840 0.310 0.000 0.747 334 L CB -0.150 42.209 42.059 0.500 0.000 0.903 334 L HN -0.821 7.347 8.230 0.114 0.130 0.435 335 I N -0.500 120.220 120.570 0.250 0.000 2.142 335 I HA -0.575 nan 4.170 nan 0.000 0.240 335 I C 2.024 178.213 176.117 0.121 0.000 1.078 335 I CA 3.878 65.248 61.300 0.117 0.000 1.343 335 I CB -0.340 37.760 38.000 0.167 0.000 1.046 335 I HN -0.447 7.841 8.210 0.269 0.083 0.405 336 L N -0.944 120.386 121.223 0.178 0.000 2.021 336 L HA -0.420 nan 4.340 nan 0.000 0.215 336 L C 2.061 179.014 176.870 0.137 0.000 1.074 336 L CA 4.078 59.049 54.840 0.219 0.000 0.760 336 L CB -0.707 41.509 42.059 0.262 0.000 0.889 336 L HN -0.080 8.260 8.230 0.183 0.000 0.433 337 I N -2.133 118.498 120.570 0.102 0.000 2.208 337 I HA -0.606 nan 4.170 nan 0.000 0.245 337 I C 1.901 178.067 176.117 0.083 0.000 1.097 337 I CA 4.085 65.424 61.300 0.063 0.000 1.363 337 I CB -0.714 37.337 38.000 0.085 0.000 1.051 337 I HN -0.420 7.869 8.210 0.132 0.000 0.413 338 G N -1.324 107.540 108.800 0.107 0.000 2.446 338 G HA2 -0.383 nan 3.960 nan 0.000 0.217 338 G HA3 -0.383 nan 3.960 nan 0.000 0.217 338 G C 1.145 176.136 174.900 0.152 0.000 1.168 338 G CA 2.026 47.214 45.100 0.147 0.000 0.771 338 G HN 0.074 8.325 8.290 0.098 0.097 0.551 339 E N 1.557 121.847 120.200 0.151 0.000 2.051 339 E HA -0.416 nan 4.350 nan 0.000 0.192 339 E C 2.546 179.250 176.600 0.173 0.000 0.991 339 E CA 3.354 59.869 56.400 0.192 0.000 0.799 339 E CB -0.133 29.736 29.700 0.282 0.000 0.748 339 E HN 0.086 8.449 8.360 0.144 0.083 0.449 340 T N 3.005 117.666 114.554 0.178 0.000 2.699 340 T HA -0.279 nan 4.350 nan 0.000 0.268 340 T C 2.159 176.842 174.700 -0.029 0.000 1.036 340 T CA 5.059 67.248 62.100 0.147 0.000 1.147 340 T CB -0.703 68.190 68.868 0.042 0.000 0.862 340 T HN 0.461 8.686 8.240 0.160 0.111 0.446 341 I N -1.036 119.420 120.570 -0.191 0.000 2.493 341 I HA -0.457 nan 4.170 nan 0.000 0.254 341 I C 1.194 176.856 176.117 -0.758 0.000 1.160 341 I CA 3.379 64.364 61.300 -0.524 0.000 1.445 341 I CB -0.410 37.097 38.000 -0.821 0.000 1.086 341 I HN 0.074 8.207 8.210 -0.128 0.000 0.433 342 K N 0.241 120.336 120.400 -0.508 0.000 1.984 342 K HA -0.224 nan 4.320 nan 0.000 0.209 342 K C 1.893 178.456 176.600 -0.061 0.000 1.046 342 K CA 2.682 58.863 56.287 -0.176 0.000 0.934 342 K CB -0.281 32.308 32.500 0.147 0.000 0.717 342 K HN -0.719 7.227 8.250 -0.301 0.124 0.438 343 I N -0.274 120.298 120.570 0.004 0.000 2.118 343 I HA -0.549 nan 4.170 nan 0.000 0.241 343 I C 1.900 177.990 176.117 -0.046 0.000 1.070 343 I CA 4.590 65.909 61.300 0.032 0.000 1.327 343 I CB -0.019 38.068 38.000 0.145 0.000 1.034 343 I HN 0.056 8.291 8.210 0.042 0.000 0.405 344 V N -2.014 117.795 119.914 -0.176 0.000 3.140 344 V HA -0.331 nan 4.120 nan 0.000 0.269 344 V C 1.987 178.018 176.094 -0.105 0.000 1.149 344 V CA 3.448 65.541 62.300 -0.344 0.000 1.162 344 V CB -1.467 29.918 31.823 -0.729 0.000 0.756 344 V HN -0.066 8.037 8.190 -0.146 0.000 0.523 345 I N -0.839 119.701 120.570 -0.050 0.000 3.345 345 I HA -0.038 nan 4.170 nan 0.000 0.258 345 I C 1.510 177.673 176.117 0.076 0.000 1.134 345 I CA 2.281 63.604 61.300 0.038 0.000 1.457 345 I CB 0.419 38.434 38.000 0.024 0.000 1.425 345 I HN -0.080 7.887 8.210 -0.089 0.190 0.461 346 E N -0.262 119.975 120.200 0.061 0.000 2.204 346 E HA -0.316 nan 4.350 nan 0.000 0.195 346 E C 1.301 177.944 176.600 0.072 0.000 0.990 346 E CA 3.088 59.525 56.400 0.062 0.000 0.821 346 E CB -0.028 29.712 29.700 0.066 0.000 0.750 346 E HN 0.178 8.562 8.360 0.039 0.000 0.477 347 D N -2.141 118.328 120.400 0.115 0.000 3.161 347 D HA 0.133 nan 4.640 nan 0.000 0.287 347 D C 1.397 177.927 176.300 0.383 0.000 1.343 347 D CA 1.307 55.426 54.000 0.197 0.000 1.070 347 D CB 0.598 41.492 40.800 0.157 0.000 1.188 347 D HN -0.018 8.375 8.370 0.103 0.038 0.409 348 Y N 1.615 121.996 120.300 0.134 0.000 2.070 348 Y HA -0.418 nan 4.550 nan 0.000 0.280 348 Y C 1.784 177.754 175.900 0.117 0.000 1.148 348 Y CA 4.482 62.530 58.100 -0.086 0.000 1.125 348 Y CB 0.293 38.474 38.460 -0.464 0.000 0.975 348 Y HN -0.320 8.133 8.280 0.288 0.000 0.492 349 V N -1.433 118.724 119.914 0.404 0.000 2.358 349 V HA -0.507 nan 4.120 nan 0.000 0.246 349 V C 2.064 178.228 176.094 0.117 0.000 1.047 349 V CA 3.735 66.212 62.300 0.295 0.000 1.035 349 V CB -0.943 31.028 31.823 0.247 0.000 0.658 349 V HN -0.640 7.758 8.190 0.347 0.000 0.452 350 Q N -1.311 118.551 119.800 0.104 0.000 2.112 350 Q HA -0.369 nan 4.340 nan 0.000 0.206 350 Q C 2.339 178.332 176.000 -0.010 0.000 0.987 350 Q CA 2.939 58.750 55.803 0.014 0.000 0.858 350 Q CB -0.525 28.237 28.738 0.040 0.000 0.905 350 Q HN -0.188 8.168 8.270 0.144 0.000 0.420 351 H N 0.456 119.543 119.070 0.029 0.000 2.307 351 H HA -0.127 nan 4.556 nan 0.000 0.303 351 H C 1.390 176.654 175.328 -0.106 0.000 1.073 351 H CA 2.940 58.987 56.048 -0.001 0.000 1.338 351 H CB 0.475 30.328 29.762 0.153 0.000 1.389 351 H HN -0.143 8.198 8.280 0.287 0.111 0.503 352 L N -0.954 120.319 121.223 0.083 0.000 2.353 352 L HA -0.229 nan 4.340 nan 0.000 0.220 352 L C 0.732 177.476 176.870 -0.210 0.000 1.133 352 L CA 2.130 56.942 54.840 -0.048 0.000 0.798 352 L CB 0.307 42.490 42.059 0.207 0.000 0.922 352 L HN -0.132 8.270 8.230 0.286 0.000 0.445 353 S N -3.068 112.450 115.700 -0.303 0.000 2.387 353 S HA -0.060 nan 4.470 nan 0.000 0.221 353 S C 1.018 175.283 174.600 -0.559 0.000 1.041 353 S CA 1.338 59.179 58.200 -0.598 0.000 0.959 353 S CB 1.812 64.331 63.200 -1.135 0.000 0.843 353 S HN -0.246 7.867 8.310 -0.241 0.053 0.488 354 G N 3.283 111.809 108.800 -0.457 0.000 2.392 354 G HA2 -0.385 nan 3.960 nan 0.000 0.290 354 G HA3 -0.385 nan 3.960 nan 0.000 0.290 354 G C -1.003 173.776 174.900 -0.202 0.000 1.032 354 G CA 0.944 45.844 45.100 -0.333 0.000 1.269 354 G HN -0.536 7.496 8.290 -0.430 0.000 0.511 355 Y N 0.256 120.376 120.300 -0.300 0.000 2.504 355 Y HA 0.069 nan 4.550 nan 0.000 0.235 355 Y C 0.531 176.170 175.900 -0.435 0.000 1.024 355 Y CA -0.657 57.230 58.100 -0.355 0.000 1.161 355 Y CB 1.221 39.514 38.460 -0.279 0.000 1.045 355 Y HN -0.455 7.708 8.280 -0.194 0.000 0.480 356 H N -5.336 113.664 119.070 -0.115 0.000 1.795 356 H HA -0.143 nan 4.556 nan 0.000 0.115 356 H C -1.092 174.185 175.328 -0.084 0.000 1.198 356 H CA 0.412 56.383 56.048 -0.128 0.000 0.412 356 H CB 1.584 31.212 29.762 -0.224 0.000 0.313 356 H HN -0.114 8.171 8.280 0.008 0.000 0.206 357 F N 2.050 121.818 119.950 -0.303 0.000 2.572 357 F HA -0.116 nan 4.527 nan 0.000 0.370 357 F C -1.200 174.625 175.800 0.041 0.000 1.103 357 F CA 0.076 58.009 58.000 -0.111 0.000 1.286 357 F CB 1.189 39.929 39.000 -0.432 0.000 1.105 357 F HN -0.310 7.689 8.300 -0.500 0.000 0.583 358 K N 8.347 128.184 120.400 -0.937 0.000 2.273 358 K HA 0.078 nan 4.320 nan 0.000 0.287 358 K C -0.759 175.219 176.600 -1.037 0.000 1.089 358 K CA -1.372 54.489 56.287 -0.711 0.000 0.909 358 K CB 0.285 32.600 32.500 -0.309 0.000 1.123 358 K HN 0.161 8.323 8.250 -0.691 -0.327 0.473 359 L N 4.523 125.412 121.223 -0.557 0.000 2.483 359 L HA -0.075 nan 4.340 nan 0.000 0.277 359 L C -0.669 176.144 176.870 -0.094 0.000 1.248 359 L CA 0.721 55.435 54.840 -0.210 0.000 0.825 359 L CB 0.295 42.363 42.059 0.016 0.000 1.096 359 L HN 0.300 8.316 8.230 -0.356 0.000 0.512 360 K N 0.446 120.884 120.400 0.062 0.000 2.565 360 K HA 0.150 nan 4.320 nan 0.000 0.251 360 K C -1.665 175.037 176.600 0.170 0.000 0.956 360 K CA -1.133 55.214 56.287 0.101 0.000 0.809 360 K CB 3.333 35.888 32.500 0.092 0.000 1.267 360 K HN 0.256 8.585 8.250 0.131 0.000 0.438 361 F N 7.803 127.756 119.950 0.004 0.000 2.439 361 F HA -0.006 nan 4.527 nan 0.000 0.356 361 F C -1.753 174.016 175.800 -0.052 0.000 1.161 361 F CA -1.238 56.741 58.000 -0.035 0.000 1.151 361 F CB 0.034 39.018 39.000 -0.027 0.000 1.222 361 F HN -0.064 8.581 8.300 0.271 -0.182 0.558 362 D N 8.482 128.704 120.400 -0.297 0.000 2.328 362 D HA 0.315 nan 4.640 nan 0.000 0.243 362 D C -1.601 174.383 176.300 -0.528 0.000 1.324 362 D CA -2.932 50.823 54.000 -0.409 0.000 0.966 362 D CB 1.456 42.175 40.800 -0.134 0.000 1.324 362 D HN -0.564 7.746 8.370 -0.100 0.000 0.549 363 P HA -0.245 nan 4.420 nan 0.000 0.218 363 P C 0.812 177.478 177.300 -1.058 0.000 1.146 363 P CA 1.768 64.366 63.100 -0.837 0.000 0.813 363 P CB 0.305 31.270 31.700 -1.225 0.000 0.778 364 E N -2.750 116.781 120.200 -1.115 0.000 2.333 364 E HA -0.293 nan 4.350 nan 0.000 0.198 364 E C 1.616 177.849 176.600 -0.611 0.000 1.007 364 E CA 2.192 57.789 56.400 -1.339 0.000 0.845 364 E CB -0.570 28.894 29.700 -0.393 0.000 0.766 364 E HN -0.529 7.534 8.360 -0.689 -0.116 0.507 365 L N -2.662 118.336 121.223 -0.375 0.000 2.141 365 L HA -0.213 nan 4.340 nan 0.000 0.209 365 L C 1.950 178.765 176.870 -0.092 0.000 1.094 365 L CA 2.329 57.080 54.840 -0.148 0.000 0.763 365 L CB 0.055 42.057 42.059 -0.094 0.000 0.908 365 L HN -0.277 7.543 8.230 -0.415 0.161 0.437 366 L N -4.011 117.126 121.223 -0.144 0.000 2.558 366 L HA -0.072 nan 4.340 nan 0.000 0.225 366 L C 1.918 178.957 176.870 0.281 0.000 1.128 366 L CA 0.760 55.584 54.840 -0.027 0.000 0.868 366 L CB -0.071 41.794 42.059 -0.324 0.000 1.006 366 L HN -0.648 7.398 8.230 -0.278 0.017 0.454 367 F N -0.367 119.663 119.950 0.134 0.000 2.154 367 F HA -0.313 nan 4.527 nan 0.000 0.301 367 F C 1.483 177.377 175.800 0.157 0.000 1.087 367 F CA 1.562 59.671 58.000 0.181 0.000 1.274 367 F CB -1.019 38.076 39.000 0.159 0.000 1.009 367 F HN -0.580 7.582 8.300 0.079 0.186 0.485 368 N N -1.940 116.946 118.700 0.311 0.000 2.336 368 N HA -0.069 nan 4.740 nan 0.000 0.189 368 N C -0.102 175.514 175.510 0.175 0.000 1.113 368 N CA 0.177 53.353 53.050 0.210 0.000 0.858 368 N CB 0.620 39.205 38.487 0.164 0.000 0.970 368 N HN 0.145 8.674 8.380 0.270 0.013 0.471 369 Q N -0.367 119.549 119.800 0.194 0.000 2.359 369 Q HA 0.230 nan 4.340 nan 0.000 0.275 369 Q C -1.115 175.009 176.000 0.206 0.000 1.082 369 Q CA -0.875 55.027 55.803 0.165 0.000 0.849 369 Q CB 2.998 31.816 28.738 0.133 0.000 1.377 369 Q HN -0.424 7.806 8.270 0.233 0.179 0.452 370 Q N 1.011 120.913 119.800 0.169 0.000 2.311 370 Q HA -0.013 nan 4.340 nan 0.000 0.272 370 Q C -0.518 175.621 176.000 0.230 0.000 1.012 370 Q CA 1.041 56.944 55.803 0.167 0.000 0.891 370 Q CB 0.504 29.307 28.738 0.107 0.000 1.201 370 Q HN 0.314 8.666 8.270 0.137 0.000 0.391 371 F N 3.293 123.254 119.950 0.019 0.000 2.665 371 F HA 0.089 nan 4.527 nan 0.000 0.308 371 F C -2.293 173.432 175.800 -0.125 0.000 1.112 371 F CA -0.311 57.623 58.000 -0.110 0.000 0.972 371 F CB 2.562 41.415 39.000 -0.245 0.000 1.295 371 F HN -0.086 8.340 8.300 0.211 0.000 0.440 372 Q N 4.359 123.460 119.800 -1.165 0.000 2.372 372 Q HA 0.182 nan 4.340 nan 0.000 0.259 372 Q C -0.790 174.616 176.000 -0.990 0.000 0.993 372 Q CA -1.509 53.865 55.803 -0.715 0.000 0.854 372 Q CB 0.762 29.236 28.738 -0.440 0.000 1.231 372 Q HN 0.281 7.575 8.270 -1.627 0.000 0.462 373 Y N 4.977 125.086 120.300 -0.317 0.000 2.724 373 Y HA -0.084 nan 4.550 nan 0.000 0.354 373 Y C -0.933 174.901 175.900 -0.110 0.000 1.270 373 Y CA 0.364 58.428 58.100 -0.060 0.000 1.902 373 Y CB -1.654 36.885 38.460 0.132 0.000 1.981 373 Y HN 0.323 8.713 8.280 0.184 0.000 0.428 374 Q N 0.592 120.311 119.800 -0.134 0.000 2.391 374 Q HA 0.232 nan 4.340 nan 0.000 0.279 374 Q C -2.535 173.361 176.000 -0.173 0.000 1.028 374 Q CA -0.983 54.750 55.803 -0.118 0.000 0.836 374 Q CB 3.858 32.529 28.738 -0.111 0.000 1.414 374 Q HN -0.155 7.877 8.270 -0.313 0.050 0.397 375 N N 2.450 121.053 118.700 -0.160 0.000 2.591 375 N HA 0.288 nan 4.740 nan 0.000 0.263 375 N C -2.353 173.045 175.510 -0.187 0.000 1.308 375 N CA 0.247 53.186 53.050 -0.184 0.000 0.837 375 N CB 3.284 41.659 38.487 -0.185 0.000 1.548 375 N HN 0.239 8.532 8.380 -0.145 0.000 0.493 376 R N 2.441 122.834 120.500 -0.179 0.000 2.549 376 R HA 0.355 nan 4.340 nan 0.000 0.291 376 R C -1.666 174.649 176.300 0.025 0.000 1.164 376 R CA -0.717 55.315 56.100 -0.114 0.000 0.973 376 R CB 2.033 32.163 30.300 -0.284 0.000 1.210 376 R HN 0.303 8.451 8.270 -0.204 0.000 0.422 377 I N 1.520 122.214 120.570 0.207 0.000 2.598 377 I HA 0.130 nan 4.170 nan 0.000 0.284 377 I C -1.116 175.125 176.117 0.207 0.000 1.140 377 I CA 0.094 61.428 61.300 0.056 0.000 1.420 377 I CB 1.317 39.337 38.000 0.034 0.000 1.387 377 I HN -0.109 8.324 8.210 0.372 0.000 0.553 378 A N 6.954 129.793 122.820 0.031 0.000 2.287 378 A HA 0.342 nan 4.320 nan 0.000 0.273 378 A C 0.917 178.555 177.584 0.089 0.000 1.091 378 A CA -0.681 51.386 52.037 0.051 0.000 0.817 378 A CB 1.350 20.253 19.000 -0.163 0.000 1.069 378 A HN 0.053 8.109 8.150 -0.156 0.000 0.492 379 S N 0.741 116.437 115.700 -0.007 0.000 2.414 379 S HA -0.262 nan 4.470 nan 0.000 0.227 379 S C 2.123 176.748 174.600 0.042 0.000 1.022 379 S CA 3.643 61.722 58.200 -0.202 0.000 0.958 379 S CB -0.141 63.022 63.200 -0.062 0.000 0.797 379 S HN 0.402 8.742 8.310 0.051 0.000 0.493 380 E N 1.649 121.963 120.200 0.191 0.000 2.038 380 E HA -0.317 nan 4.350 nan 0.000 0.195 380 E C 1.905 178.695 176.600 0.317 0.000 1.000 380 E CA 2.651 59.221 56.400 0.283 0.000 0.803 380 E CB -1.313 28.625 29.700 0.396 0.000 0.750 380 E HN 0.210 8.659 8.360 0.149 0.000 0.448 381 F N -0.219 119.959 119.950 0.380 0.000 2.120 381 F HA -0.312 nan 4.527 nan 0.000 0.300 381 F C 1.303 177.238 175.800 0.225 0.000 1.095 381 F CA 3.007 61.302 58.000 0.491 0.000 1.249 381 F CB -0.042 39.317 39.000 0.599 0.000 0.995 381 F HN -0.190 8.530 8.300 0.700 0.000 0.480 382 N N -1.790 116.947 118.700 0.061 0.000 2.028 382 N HA -0.373 nan 4.740 nan 0.000 0.194 382 N C 1.959 177.072 175.510 -0.661 0.000 1.050 382 N CA 3.176 55.812 53.050 -0.689 0.000 0.848 382 N CB 0.517 38.757 38.487 -0.413 0.000 1.038 382 N HN -0.677 7.764 8.380 0.242 0.085 0.423 383 T N 2.780 117.025 114.554 -0.515 0.000 2.544 383 T HA -0.315 nan 4.350 nan 0.000 0.264 383 T C 2.155 176.501 174.700 -0.589 0.000 1.096 383 T CA 4.647 66.270 62.100 -0.794 0.000 1.181 383 T CB -0.201 68.426 68.868 -0.403 0.000 0.864 383 T HN 0.130 8.192 8.240 -0.297 0.000 0.415 384 L N -1.489 119.602 121.223 -0.221 0.000 2.450 384 L HA -0.275 nan 4.340 nan 0.000 0.225 384 L C 0.578 177.357 176.870 -0.151 0.000 1.145 384 L CA 2.803 57.575 54.840 -0.114 0.000 0.801 384 L CB -1.000 41.003 42.059 -0.093 0.000 0.924 384 L HN 0.211 8.362 8.230 -0.131 0.000 0.447 385 Y N -2.191 117.814 120.300 -0.492 0.000 2.457 385 Y HA -0.041 nan 4.550 nan 0.000 0.263 385 Y C -0.011 175.516 175.900 -0.622 0.000 1.164 385 Y CA 0.299 57.884 58.100 -0.858 0.000 1.274 385 Y CB 0.398 38.243 38.460 -1.023 0.000 1.097 385 Y HN -0.688 7.183 8.280 -0.367 0.188 0.523 386 H N 1.680 120.635 119.070 -0.192 0.000 3.330 386 H HA -0.095 nan 4.556 nan 0.000 0.260 386 H C -0.022 175.384 175.328 0.129 0.000 1.439 386 H CA -0.419 55.605 56.048 -0.040 0.000 1.540 386 H CB -2.260 27.649 29.762 0.245 0.000 1.698 386 H HN 0.083 8.176 8.280 -0.013 0.179 0.516 387 W N 4.229 125.457 121.300 -0.120 0.000 2.676 387 W HA 0.205 nan 4.660 nan 0.000 0.430 387 W C 0.384 176.817 176.519 -0.145 0.000 0.690 387 W CA -3.061 54.233 57.345 -0.086 0.000 2.297 387 W CB -2.670 26.786 29.460 -0.006 0.000 1.361 387 W HN -0.068 8.046 8.180 -0.079 0.019 0.800 388 H N 1.681 120.943 119.070 0.321 0.000 2.421 388 H HA -0.232 nan 4.556 nan 0.000 0.298 388 H C -0.479 174.944 175.328 0.159 0.000 1.087 388 H CA 6.360 62.546 56.048 0.230 0.000 1.330 388 H CB -1.847 28.036 29.762 0.202 0.000 1.388 388 H HN -0.503 7.668 8.280 -0.048 0.081 0.526 389 P HA -0.254 nan 4.420 nan 0.000 0.224 389 P C -0.151 177.120 177.300 -0.048 0.000 1.142 389 P CA 2.342 65.459 63.100 0.028 0.000 0.778 389 P CB -0.677 31.007 31.700 -0.027 0.000 0.764 390 L N -4.583 116.655 121.223 0.026 0.000 2.141 390 L HA -0.248 nan 4.340 nan 0.000 0.209 390 L C 0.593 177.460 176.870 -0.005 0.000 1.094 390 L CA 1.100 55.933 54.840 -0.012 0.000 0.763 390 L CB 0.250 42.364 42.059 0.092 0.000 0.908 390 L HN -0.430 7.684 8.230 0.109 0.182 0.437 391 L N -0.856 120.422 121.223 0.091 0.000 2.559 391 L HA -0.110 nan 4.340 nan 0.000 0.274 391 L C -1.520 175.455 176.870 0.175 0.000 1.205 391 L CA -0.495 54.452 54.840 0.178 0.000 0.907 391 L CB -1.210 41.097 42.059 0.414 0.000 1.153 391 L HN -0.170 7.994 8.230 0.139 0.150 0.490 392 P HA 0.201 nan 4.420 nan 0.000 0.277 392 P C -1.728 175.594 177.300 0.037 0.000 1.271 392 P CA -0.324 62.892 63.100 0.194 0.000 0.795 392 P CB 1.122 32.733 31.700 -0.147 0.000 1.101 393 D N -2.295 118.139 120.400 0.056 0.000 2.346 393 D HA -0.040 nan 4.640 nan 0.000 0.206 393 D C -0.838 175.386 176.300 -0.126 0.000 1.001 393 D CA 1.220 55.266 54.000 0.077 0.000 0.871 393 D CB 0.994 41.844 40.800 0.083 0.000 0.943 393 D HN 0.379 8.796 8.370 0.078 0.000 0.518 394 T N -5.741 108.575 114.554 -0.396 0.000 2.921 394 T HA 0.401 nan 4.350 nan 0.000 0.297 394 T C -1.017 173.271 174.700 -0.685 0.000 1.013 394 T CA -1.687 60.149 62.100 -0.441 0.000 0.990 394 T CB 2.290 71.026 68.868 -0.219 0.000 1.023 394 T HN -0.696 7.268 8.240 -0.394 0.039 0.447 395 F N 3.875 123.689 119.950 -0.227 0.000 2.351 395 F HA 0.082 nan 4.527 nan 0.000 0.362 395 F C -0.993 174.717 175.800 -0.149 0.000 1.131 395 F CA -1.641 56.104 58.000 -0.425 0.000 1.187 395 F CB -0.049 38.231 39.000 -1.200 0.000 1.434 395 F HN 0.653 8.762 8.300 -0.319 0.000 0.553 396 N N 5.049 123.734 118.700 -0.024 0.000 2.602 396 N HA 0.084 nan 4.740 nan 0.000 0.238 396 N C -0.982 174.543 175.510 0.024 0.000 1.084 396 N CA -0.833 52.215 53.050 -0.003 0.000 0.952 396 N CB 0.182 38.619 38.487 -0.084 0.000 1.244 396 N HN -0.084 8.387 8.380 -0.087 -0.143 0.512 397 I N 5.678 126.262 120.570 0.024 0.000 2.260 397 I HA -0.081 nan 4.170 nan 0.000 0.297 397 I C -0.637 175.339 176.117 -0.236 0.000 1.143 397 I CA -1.352 59.826 61.300 -0.204 0.000 1.271 397 I CB 0.144 37.882 38.000 -0.436 0.000 1.461 397 I HN -0.249 8.064 8.210 0.172 0.000 0.530 398 E N 9.894 129.997 120.200 -0.162 0.000 2.768 398 E HA -0.452 nan 4.350 nan 0.000 0.345 398 E C -0.144 176.370 176.600 -0.142 0.000 0.688 398 E CA 1.306 57.629 56.400 -0.129 0.000 1.238 398 E CB -0.436 29.200 29.700 -0.105 0.000 0.667 398 E HN 0.085 8.350 8.360 -0.122 0.022 0.455 399 D N 1.666 122.006 120.400 -0.099 0.000 3.082 399 D HA -0.406 nan 4.640 nan 0.000 0.216 399 D C -1.970 174.284 176.300 -0.078 0.000 1.114 399 D CA 1.332 55.287 54.000 -0.075 0.000 0.886 399 D CB -0.137 40.631 40.800 -0.053 0.000 1.096 399 D HN 0.617 8.933 8.370 -0.090 0.000 0.431 400 Q N -4.534 115.197 119.800 -0.114 0.000 2.837 400 Q HA 0.043 nan 4.340 nan 0.000 0.239 400 Q C -3.097 172.764 176.000 -0.232 0.000 1.001 400 Q CA 0.444 56.133 55.803 -0.191 0.000 0.960 400 Q CB 2.851 31.481 28.738 -0.180 0.000 1.923 400 Q HN -0.476 7.685 8.270 -0.115 0.040 0.471 401 E N 1.752 121.753 120.200 -0.332 0.000 2.234 401 E HA 0.385 nan 4.350 nan 0.000 0.266 401 E C -1.293 175.138 176.600 -0.282 0.000 0.877 401 E CA -1.250 55.023 56.400 -0.210 0.000 0.758 401 E CB 2.782 32.397 29.700 -0.142 0.000 1.170 401 E HN 0.138 8.277 8.360 -0.368 0.000 0.415 402 Y N 2.390 122.732 120.300 0.070 0.000 2.457 402 Y HA 0.217 nan 4.550 nan 0.000 0.333 402 Y C -0.082 175.919 175.900 0.168 0.000 1.119 402 Y CA -1.359 56.841 58.100 0.166 0.000 1.143 402 Y CB 2.714 41.363 38.460 0.315 0.000 1.230 402 Y HN 0.888 9.204 8.280 0.267 0.125 0.469 403 S N 0.713 116.642 115.700 0.383 0.000 2.652 403 S HA 0.262 nan 4.470 nan 0.000 0.270 403 S C 0.947 175.860 174.600 0.522 0.000 1.243 403 S CA -0.810 57.604 58.200 0.356 0.000 0.999 403 S CB 1.650 65.017 63.200 0.278 0.000 0.973 403 S HN 0.303 9.191 8.310 0.398 -0.339 0.544 404 F N 3.299 123.475 119.950 0.377 0.000 2.043 404 F HA -0.488 nan 4.527 nan 0.000 0.297 404 F C 1.599 177.567 175.800 0.281 0.000 1.121 404 F CA 5.245 63.518 58.000 0.456 0.000 1.199 404 F CB -0.871 38.327 39.000 0.331 0.000 0.968 404 F HN 0.884 9.661 8.300 0.795 0.000 0.478 405 K N -2.385 118.256 120.400 0.402 0.000 2.189 405 K HA -0.284 nan 4.320 nan 0.000 0.207 405 K C 1.343 178.080 176.600 0.228 0.000 1.046 405 K CA 2.850 59.294 56.287 0.261 0.000 0.928 405 K CB -1.024 31.605 32.500 0.215 0.000 0.720 405 K HN 0.413 8.924 8.250 0.434 0.000 0.458 406 Q N -3.437 116.534 119.800 0.284 0.000 2.259 406 Q HA -0.157 nan 4.340 nan 0.000 0.201 406 Q C 1.219 177.347 176.000 0.213 0.000 0.938 406 Q CA 1.774 57.740 55.803 0.272 0.000 0.872 406 Q CB 1.110 30.092 28.738 0.407 0.000 0.971 406 Q HN -0.525 7.785 8.270 0.349 0.169 0.494 407 F N -1.036 118.948 119.950 0.057 0.000 2.186 407 F HA -0.202 nan 4.527 nan 0.000 0.299 407 F C -0.668 174.997 175.800 -0.225 0.000 1.090 407 F CA 2.494 60.417 58.000 -0.127 0.000 1.307 407 F CB 1.514 40.387 39.000 -0.213 0.000 1.019 407 F HN -0.287 8.203 8.300 0.456 0.084 0.489 408 L N -1.506 119.596 121.223 -0.201 0.000 2.477 408 L HA -0.271 nan 4.340 nan 0.000 0.272 408 L C -0.890 175.623 176.870 -0.595 0.000 1.157 408 L CA 0.911 55.402 54.840 -0.582 0.000 0.889 408 L CB -0.689 40.882 42.059 -0.812 0.000 1.158 408 L HN -0.419 7.802 8.230 -0.015 0.000 0.473 409 Y N -2.385 117.882 120.300 -0.055 0.000 3.477 409 Y HA -0.454 nan 4.550 nan 0.000 0.216 409 Y C -1.222 174.651 175.900 -0.045 0.000 1.296 409 Y CA 0.077 58.175 58.100 -0.003 0.000 1.535 409 Y CB -3.152 35.352 38.460 0.074 0.000 1.482 409 Y HN -0.184 7.758 8.280 -0.405 0.095 0.597 410 N N 0.135 118.780 118.700 -0.093 0.000 2.419 410 N HA 0.104 nan 4.740 nan 0.000 0.277 410 N C -0.287 175.116 175.510 -0.179 0.000 1.006 410 N CA -1.028 51.946 53.050 -0.127 0.000 0.923 410 N CB 2.033 40.405 38.487 -0.192 0.000 1.140 410 N HN -0.862 7.374 8.380 -0.240 0.000 0.488 411 N N 5.107 123.700 118.700 -0.178 0.000 2.085 411 N HA -0.149 nan 4.740 nan 0.000 0.191 411 N C 1.867 177.250 175.510 -0.212 0.000 1.058 411 N CA 2.643 55.535 53.050 -0.262 0.000 0.849 411 N CB 0.235 38.546 38.487 -0.293 0.000 1.038 411 N HN 0.459 8.762 8.380 -0.129 0.000 0.434 412 S N 0.282 115.881 115.700 -0.169 0.000 2.440 412 S HA -0.214 nan 4.470 nan 0.000 0.238 412 S C 2.101 176.601 174.600 -0.167 0.000 1.010 412 S CA 2.927 61.038 58.200 -0.148 0.000 0.972 412 S CB -0.330 62.808 63.200 -0.104 0.000 0.774 412 S HN -0.049 8.213 8.310 -0.147 -0.041 0.501 413 I N 1.406 121.862 120.570 -0.190 0.000 2.091 413 I HA -0.540 nan 4.170 nan 0.000 0.239 413 I C 1.089 177.180 176.117 -0.043 0.000 1.061 413 I CA 3.814 64.983 61.300 -0.219 0.000 1.317 413 I CB -0.275 37.561 38.000 -0.274 0.000 1.031 413 I HN -0.818 7.446 8.210 -0.188 -0.167 0.401 414 L N -1.090 120.094 121.223 -0.063 0.000 1.994 414 L HA -0.290 nan 4.340 nan 0.000 0.208 414 L C 1.788 178.582 176.870 -0.126 0.000 1.071 414 L CA 3.435 58.167 54.840 -0.181 0.000 0.745 414 L CB -0.443 41.396 42.059 -0.366 0.000 0.892 414 L HN -0.659 7.482 8.230 -0.147 0.000 0.431 415 L N -2.253 118.860 121.223 -0.185 0.000 2.127 415 L HA -0.421 nan 4.340 nan 0.000 0.211 415 L C 2.052 178.864 176.870 -0.095 0.000 1.089 415 L CA 2.860 57.563 54.840 -0.228 0.000 0.757 415 L CB -0.601 41.310 42.059 -0.246 0.000 0.899 415 L HN -0.624 7.495 8.230 -0.185 0.000 0.434 416 E N -1.291 118.857 120.200 -0.088 0.000 2.014 416 E HA -0.147 nan 4.350 nan 0.000 0.190 416 E C 2.040 178.669 176.600 0.049 0.000 0.980 416 E CA 1.992 58.354 56.400 -0.062 0.000 0.807 416 E CB -0.029 29.577 29.700 -0.157 0.000 0.770 416 E HN 0.156 8.309 8.360 -0.121 0.134 0.451 417 H N -2.192 116.968 119.070 0.150 0.000 2.352 417 H HA -0.226 nan 4.556 nan 0.000 0.299 417 H C 0.545 175.973 175.328 0.166 0.000 1.097 417 H CA 1.177 57.336 56.048 0.185 0.000 1.311 417 H CB 0.899 30.830 29.762 0.281 0.000 1.377 417 H HN -0.217 7.998 8.280 -0.108 0.000 0.504 418 G N -3.193 105.775 108.800 0.280 0.000 2.662 418 G HA2 -0.268 nan 3.960 nan 0.000 0.686 418 G HA3 -0.268 nan 3.960 nan 0.000 0.686 418 G C -1.388 173.603 174.900 0.152 0.000 1.271 418 G CA -0.799 44.408 45.100 0.178 0.000 0.816 418 G HN -0.457 7.980 8.290 0.246 0.000 0.608 419 L N 0.191 121.437 121.223 0.038 0.000 2.005 419 L HA -0.148 nan 4.340 nan 0.000 0.207 419 L C 1.740 178.621 176.870 0.018 0.000 1.072 419 L CA 2.805 57.615 54.840 -0.050 0.000 0.744 419 L CB 0.242 42.231 42.059 -0.117 0.000 0.895 419 L HN 0.692 8.949 8.230 0.045 0.000 0.433 420 T N -3.972 110.590 114.554 0.013 0.000 2.737 420 T HA -0.444 nan 4.350 nan 0.000 0.269 420 T C 1.103 175.817 174.700 0.024 0.000 1.040 420 T CA 3.388 65.493 62.100 0.008 0.000 1.142 420 T CB -0.593 68.278 68.868 0.006 0.000 0.861 420 T HN 0.044 8.289 8.240 0.008 0.000 0.456 421 Q N 0.904 120.744 119.800 0.068 0.000 3.006 421 Q HA -0.023 nan 4.340 nan 0.000 0.260 421 Q C -1.357 174.686 176.000 0.072 0.000 1.356 421 Q CA -0.821 55.001 55.803 0.031 0.000 1.070 421 Q CB -1.839 26.922 28.738 0.037 0.000 1.507 421 Q HN 0.004 8.329 8.270 0.099 0.005 0.568 422 F N -0.420 119.360 119.950 -0.284 0.000 1.905 422 F HA -0.089 nan 4.527 nan 0.000 0.363 422 F C 0.291 175.744 175.800 -0.578 0.000 0.981 422 F CA 1.996 59.642 58.000 -0.589 0.000 1.118 422 F CB 1.715 40.444 39.000 -0.451 0.000 1.472 422 F HN -0.168 8.099 8.300 -0.053 0.001 0.473 423 V N 0.978 120.846 119.914 -0.077 0.000 2.295 423 V HA -0.505 nan 4.120 nan 0.000 0.246 423 V C 1.808 177.904 176.094 0.003 0.000 1.049 423 V CA 5.357 67.641 62.300 -0.026 0.000 1.024 423 V CB -0.764 31.042 31.823 -0.028 0.000 0.648 423 V HN 0.421 8.612 8.190 0.001 0.000 0.447 424 E N -0.426 119.762 120.200 -0.020 0.000 2.028 424 E HA -0.340 nan 4.350 nan 0.000 0.191 424 E C 3.299 179.908 176.600 0.015 0.000 0.988 424 E CA 3.254 59.662 56.400 0.013 0.000 0.799 424 E CB -0.402 29.299 29.700 0.002 0.000 0.755 424 E HN 0.413 8.752 8.360 -0.035 0.000 0.447 425 S N 1.744 117.398 115.700 -0.076 0.000 2.365 425 S HA -0.262 nan 4.470 nan 0.000 0.225 425 S C 1.969 176.701 174.600 0.221 0.000 1.039 425 S CA 3.538 61.719 58.200 -0.031 0.000 1.033 425 S CB -0.154 62.916 63.200 -0.216 0.000 0.887 425 S HN -0.383 8.006 8.310 -0.157 -0.173 0.447 426 F N -0.268 119.696 119.950 0.024 0.000 2.293 426 F HA -0.034 nan 4.527 nan 0.000 0.300 426 F C 1.939 177.788 175.800 0.081 0.000 1.086 426 F CA 0.346 58.394 58.000 0.080 0.000 1.375 426 F CB -1.085 38.013 39.000 0.164 0.000 1.045 426 F HN 0.249 8.448 8.300 0.014 0.109 0.516 427 T N 0.809 115.511 114.554 0.247 0.000 2.867 427 T HA -0.241 nan 4.350 nan 0.000 0.268 427 T C 0.860 175.656 174.700 0.159 0.000 1.057 427 T CA 3.783 65.985 62.100 0.170 0.000 1.136 427 T CB -0.238 68.724 68.868 0.157 0.000 0.874 427 T HN -0.173 8.101 8.240 0.209 0.092 0.466 428 R N 2.114 122.697 120.500 0.139 0.000 2.575 428 R HA 0.231 nan 4.340 nan 0.000 0.281 428 R C -2.420 173.918 176.300 0.064 0.000 1.272 428 R CA -1.095 55.056 56.100 0.086 0.000 1.417 428 R CB -0.201 30.134 30.300 0.059 0.000 1.121 428 R HN -0.655 7.591 8.270 0.149 0.113 0.583 429 Q N 1.482 121.310 119.800 0.046 0.000 2.997 429 Q HA 0.038 nan 4.340 nan 0.000 0.205 429 Q C -2.055 173.935 176.000 -0.017 0.000 0.797 429 Q CA 0.033 55.834 55.803 -0.003 0.000 1.218 429 Q CB 2.087 30.833 28.738 0.013 0.000 1.630 429 Q HN -0.512 7.791 8.270 0.056 0.000 0.582 430 I N 4.061 124.614 120.570 -0.028 0.000 2.775 430 I HA -0.075 nan 4.170 nan 0.000 0.290 430 I C -0.712 175.481 176.117 0.126 0.000 1.203 430 I CA 0.230 61.544 61.300 0.024 0.000 1.433 430 I CB -0.189 37.839 38.000 0.046 0.000 1.354 430 I HN -0.139 8.037 8.210 -0.057 0.000 0.579 431 A N 6.992 129.867 122.820 0.092 0.000 2.311 431 A HA 0.555 nan 4.320 nan 0.000 0.334 431 A C -0.636 176.942 177.584 -0.011 0.000 1.139 431 A CA -1.930 50.162 52.037 0.091 0.000 0.830 431 A CB 2.823 21.790 19.000 -0.054 0.000 1.234 431 A HN 0.491 8.643 8.150 0.003 0.000 0.483 432 G N -1.153 107.501 108.800 -0.244 0.000 2.630 432 G HA2 -0.156 nan 3.960 nan 0.000 0.236 432 G HA3 -0.156 nan 3.960 nan 0.000 0.236 432 G C -1.312 173.374 174.900 -0.357 0.000 1.248 432 G CA -0.071 44.690 45.100 -0.566 0.000 0.844 432 G HN 0.103 8.211 8.290 -0.152 0.091 0.588 433 R N 1.161 121.447 120.500 -0.358 0.000 2.490 433 R HA 0.097 nan 4.340 nan 0.000 0.278 433 R C -0.086 176.047 176.300 -0.277 0.000 1.069 433 R CA 0.152 56.069 56.100 -0.305 0.000 1.080 433 R CB 0.883 31.028 30.300 -0.259 0.000 1.030 433 R HN -0.266 7.751 8.270 -0.421 0.000 0.491 434 V N 3.808 123.551 119.914 -0.284 0.000 2.326 434 V HA 0.012 nan 4.120 nan 0.000 0.237 434 V C 0.735 176.738 176.094 -0.151 0.000 1.044 434 V CA 3.081 65.256 62.300 -0.209 0.000 1.035 434 V CB 0.534 32.218 31.823 -0.232 0.000 0.675 434 V HN -0.075 7.899 8.190 -0.360 0.000 0.470 435 A N -1.238 121.511 122.820 -0.120 0.000 3.215 435 A HA 0.264 nan 4.320 nan 0.000 0.269 435 A C -0.514 177.004 177.584 -0.109 0.000 1.517 435 A CA -0.410 51.571 52.037 -0.094 0.000 1.221 435 A CB -1.571 17.410 19.000 -0.032 0.000 1.160 435 A HN -0.006 7.957 8.150 -0.128 0.110 0.620 436 G N -0.397 108.329 108.800 -0.124 0.000 2.808 436 G HA2 0.088 nan 3.960 nan 0.000 0.210 436 G HA3 0.088 nan 3.960 nan 0.000 0.210 436 G C -1.056 173.785 174.900 -0.099 0.000 1.177 436 G CA -0.130 44.901 45.100 -0.115 0.000 0.853 436 G HN -0.539 7.608 8.290 -0.133 0.063 0.625 437 G N -0.964 107.776 108.800 -0.100 0.000 2.318 437 G HA2 -0.141 nan 3.960 nan 0.000 0.302 437 G HA3 -0.141 nan 3.960 nan 0.000 0.302 437 G C -0.912 173.941 174.900 -0.077 0.000 1.633 437 G CA 0.007 45.058 45.100 -0.082 0.000 0.965 437 G HN -0.816 7.406 8.290 -0.113 0.000 0.698 438 R N -1.098 119.365 120.500 -0.062 0.000 3.225 438 R HA -0.580 nan 4.340 nan 0.000 0.245 438 R C -1.516 174.743 176.300 -0.067 0.000 0.928 438 R CA 0.670 56.739 56.100 -0.052 0.000 0.632 438 R CB -1.765 28.510 30.300 -0.042 0.000 1.038 438 R HN 0.165 8.402 8.270 -0.056 0.000 0.461 439 N N -3.197 115.454 118.700 -0.081 0.000 2.351 439 N HA 0.134 nan 4.740 nan 0.000 0.254 439 N C -0.389 175.072 175.510 -0.081 0.000 1.241 439 N CA -0.794 52.187 53.050 -0.116 0.000 0.883 439 N CB 0.833 39.207 38.487 -0.188 0.000 1.202 439 N HN -0.327 8.008 8.380 -0.074 0.000 0.512 440 V N 2.925 122.821 119.914 -0.030 0.000 2.432 440 V HA 0.225 nan 4.120 nan 0.000 0.271 440 V C -1.852 174.235 176.094 -0.011 0.000 1.046 440 V CA -2.761 59.549 62.300 0.016 0.000 0.945 440 V CB -0.068 31.786 31.823 0.052 0.000 0.992 440 V HN -0.405 7.800 8.190 -0.029 -0.032 0.471 441 P HA -0.124 nan 4.420 nan 0.000 0.260 441 P C -0.610 176.600 177.300 -0.149 0.000 1.172 441 P CA 0.904 63.952 63.100 -0.087 0.000 0.760 441 P CB 0.346 31.985 31.700 -0.100 0.000 0.773 442 I N 2.369 122.855 120.570 -0.140 0.000 2.623 442 I HA -0.492 nan 4.170 nan 0.000 0.261 442 I C 1.373 177.392 176.117 -0.164 0.000 1.204 442 I CA 3.131 64.360 61.300 -0.117 0.000 1.444 442 I CB -0.585 37.367 38.000 -0.079 0.000 1.094 442 I HN 0.642 8.784 8.210 -0.115 0.000 0.451 443 A N -0.024 122.611 122.820 -0.309 0.000 1.843 443 A HA -0.122 nan 4.320 nan 0.000 0.213 443 A C 1.411 178.867 177.584 -0.213 0.000 1.202 443 A CA 2.514 54.350 52.037 -0.335 0.000 0.607 443 A CB -0.354 18.187 19.000 -0.765 0.000 0.847 443 A HN -0.109 7.730 8.150 -0.414 0.063 0.445 444 V N -0.004 119.767 119.914 -0.237 0.000 3.611 444 V HA -0.248 nan 4.120 nan 0.000 0.281 444 V C 1.342 177.367 176.094 -0.116 0.000 1.247 444 V CA 1.542 63.761 62.300 -0.134 0.000 1.198 444 V CB -2.432 29.357 31.823 -0.058 0.000 0.977 444 V HN -0.350 7.621 8.190 -0.366 0.000 0.445 445 Q N 1.401 121.148 119.800 -0.089 0.000 2.170 445 Q HA -0.342 nan 4.340 nan 0.000 0.203 445 Q C 1.614 177.589 176.000 -0.041 0.000 0.976 445 Q CA 2.993 58.769 55.803 -0.045 0.000 0.858 445 Q CB -1.105 27.608 28.738 -0.041 0.000 0.907 445 Q HN -0.100 7.884 8.270 -0.111 0.219 0.433 446 A N -0.781 122.005 122.820 -0.057 0.000 1.902 446 A HA -0.257 nan 4.320 nan 0.000 0.217 446 A C 1.872 179.414 177.584 -0.070 0.000 1.181 446 A CA 3.075 55.082 52.037 -0.050 0.000 0.623 446 A CB -0.927 18.047 19.000 -0.042 0.000 0.818 446 A HN -0.448 7.644 8.150 -0.065 0.019 0.443 447 V N -0.068 119.775 119.914 -0.119 0.000 2.244 447 V HA -0.403 nan 4.120 nan 0.000 0.244 447 V C 1.974 178.004 176.094 -0.107 0.000 1.042 447 V CA 3.641 65.836 62.300 -0.175 0.000 1.006 447 V CB -0.930 30.640 31.823 -0.421 0.000 0.641 447 V HN -0.745 7.275 8.190 -0.131 0.091 0.446 448 A N -2.424 120.367 122.820 -0.050 0.000 2.032 448 A HA -0.404 nan 4.320 nan 0.000 0.221 448 A C 1.887 179.515 177.584 0.073 0.000 1.165 448 A CA 3.224 55.333 52.037 0.120 0.000 0.645 448 A CB -0.859 18.238 19.000 0.162 0.000 0.807 448 A HN -0.070 8.019 8.150 -0.101 0.000 0.453 449 K N -1.251 119.154 120.400 0.008 0.000 1.980 449 K HA -0.293 nan 4.320 nan 0.000 0.208 449 K C 1.847 178.415 176.600 -0.053 0.000 1.043 449 K CA 2.604 58.889 56.287 -0.003 0.000 0.938 449 K CB -0.008 32.484 32.500 -0.012 0.000 0.724 449 K HN -0.288 7.821 8.250 -0.012 0.134 0.438 450 A N -0.983 121.795 122.820 -0.070 0.000 1.882 450 A HA -0.447 nan 4.320 nan 0.000 0.220 450 A C 2.194 179.688 177.584 -0.149 0.000 1.253 450 A CA 3.170 55.155 52.037 -0.088 0.000 0.664 450 A CB -0.934 18.017 19.000 -0.080 0.000 0.838 450 A HN -0.126 7.987 8.150 -0.061 0.000 0.460 451 S N -1.369 114.197 115.700 -0.223 0.000 2.390 451 S HA -0.478 nan 4.470 nan 0.000 0.234 451 S C 2.191 176.445 174.600 -0.577 0.000 1.063 451 S CA 4.282 62.176 58.200 -0.510 0.000 1.108 451 S CB -0.578 62.044 63.200 -0.963 0.000 0.975 451 S HN -0.185 8.029 8.310 -0.159 0.000 0.442 452 I N 0.196 120.543 120.570 -0.371 0.000 2.090 452 I HA -0.494 nan 4.170 nan 0.000 0.236 452 I C 1.254 177.305 176.117 -0.111 0.000 1.064 452 I CA 3.433 64.657 61.300 -0.126 0.000 1.324 452 I CB -0.263 37.778 38.000 0.069 0.000 1.044 452 I HN -0.087 7.867 8.210 -0.273 0.092 0.399 453 D N -2.799 117.553 120.400 -0.079 0.000 2.371 453 D HA -0.250 nan 4.640 nan 0.000 0.221 453 D C 2.523 178.780 176.300 -0.071 0.000 0.986 453 D CA 2.252 56.219 54.000 -0.055 0.000 0.899 453 D CB -0.889 39.894 40.800 -0.027 0.000 0.902 453 D HN -0.481 7.843 8.370 -0.075 0.000 0.530 454 Q N 0.392 120.122 119.800 -0.117 0.000 2.107 454 Q HA -0.095 nan 4.340 nan 0.000 0.195 454 Q C 2.150 178.056 176.000 -0.156 0.000 0.964 454 Q CA 3.009 58.753 55.803 -0.099 0.000 0.833 454 Q CB 0.669 29.352 28.738 -0.093 0.000 0.910 454 Q HN 0.331 8.439 8.270 -0.157 0.068 0.465 455 S N -0.189 115.320 115.700 -0.320 0.000 2.500 455 S HA -0.289 nan 4.470 nan 0.000 0.239 455 S C 2.075 176.475 174.600 -0.333 0.000 0.989 455 S CA 3.689 61.524 58.200 -0.607 0.000 0.951 455 S CB -0.526 62.093 63.200 -0.969 0.000 0.759 455 S HN -0.162 7.941 8.310 -0.345 0.000 0.523 456 R N -0.356 120.056 120.500 -0.147 0.000 2.100 456 R HA -0.118 nan 4.340 nan 0.000 0.220 456 R C 2.609 178.917 176.300 0.013 0.000 1.091 456 R CA 3.224 59.307 56.100 -0.028 0.000 0.986 456 R CB -0.107 30.184 30.300 -0.015 0.000 0.888 456 R HN -0.647 7.444 8.270 -0.155 0.086 0.444 457 E N 1.635 121.835 120.200 -0.000 0.000 2.031 457 E HA -0.273 nan 4.350 nan 0.000 0.193 457 E C 1.363 177.997 176.600 0.056 0.000 0.994 457 E CA 2.524 58.942 56.400 0.031 0.000 0.800 457 E CB -0.342 29.378 29.700 0.033 0.000 0.752 457 E HN -0.765 7.472 8.360 -0.032 0.104 0.447 458 M N -3.722 115.920 119.600 0.070 0.000 2.800 458 M HA -0.166 nan 4.480 nan 0.000 0.235 458 M C -1.288 175.118 176.300 0.177 0.000 1.057 458 M CA 0.498 55.875 55.300 0.128 0.000 1.066 458 M CB -0.167 32.569 32.600 0.226 0.000 1.558 458 M HN -0.402 7.906 8.290 0.030 0.000 0.551 459 K N -4.587 115.897 120.400 0.140 0.000 3.156 459 K HA -0.521 nan 4.320 nan 0.000 0.266 459 K C -0.115 176.609 176.600 0.207 0.000 0.966 459 K CA 1.077 57.443 56.287 0.131 0.000 0.719 459 K CB -2.821 29.714 32.500 0.058 0.000 1.333 459 K HN -0.549 7.537 8.250 0.100 0.224 0.468 460 Y N -0.735 119.583 120.300 0.030 0.000 2.321 460 Y HA -0.279 nan 4.550 nan 0.000 0.353 460 Y C 0.063 176.036 175.900 0.121 0.000 1.276 460 Y CA 0.611 58.757 58.100 0.076 0.000 1.545 460 Y CB 0.522 38.995 38.460 0.022 0.000 1.377 460 Y HN -0.519 8.008 8.280 0.410 0.000 0.650 461 Q N -1.687 118.359 119.800 0.410 0.000 2.240 461 Q HA 0.262 nan 4.340 nan 0.000 0.260 461 Q C -0.905 175.298 176.000 0.339 0.000 1.018 461 Q CA -2.083 53.908 55.803 0.313 0.000 0.898 461 Q CB 3.078 31.934 28.738 0.197 0.000 1.301 461 Q HN -0.035 8.575 8.270 0.566 0.000 0.469 462 S N -0.964 114.863 115.700 0.211 0.000 2.566 462 S HA -0.122 nan 4.470 nan 0.000 0.280 462 S C 1.485 176.206 174.600 0.202 0.000 1.343 462 S CA 0.040 58.336 58.200 0.160 0.000 1.036 462 S CB 0.980 64.232 63.200 0.086 0.000 0.866 462 S HN 0.332 8.730 8.310 0.147 0.000 0.526 463 L N 4.715 125.996 121.223 0.098 0.000 2.127 463 L HA -0.349 nan 4.340 nan 0.000 0.211 463 L C 1.008 177.911 176.870 0.054 0.000 1.089 463 L CA 2.977 57.853 54.840 0.061 0.000 0.757 463 L CB 0.129 42.171 42.059 -0.028 0.000 0.899 463 L HN 0.816 9.077 8.230 0.051 0.000 0.434 464 N N -2.166 116.544 118.700 0.016 0.000 2.333 464 N HA -0.191 nan 4.740 nan 0.000 0.178 464 N C 1.771 177.273 175.510 -0.013 0.000 1.018 464 N CA 3.336 56.364 53.050 -0.036 0.000 0.882 464 N CB -0.100 38.351 38.487 -0.059 0.000 0.984 464 N HN -0.299 8.063 8.380 0.018 0.029 0.434 465 E N 1.528 121.734 120.200 0.010 0.000 2.085 465 E HA -0.339 nan 4.350 nan 0.000 0.194 465 E C 2.309 178.855 176.600 -0.090 0.000 0.994 465 E CA 2.812 59.176 56.400 -0.060 0.000 0.801 465 E CB -0.463 29.185 29.700 -0.087 0.000 0.743 465 E HN -0.593 7.793 8.360 0.043 0.000 0.453 466 Y N -1.033 119.274 120.300 0.011 0.000 2.145 466 Y HA -0.379 nan 4.550 nan 0.000 0.286 466 Y C 2.453 178.412 175.900 0.098 0.000 1.145 466 Y CA 4.264 62.411 58.100 0.079 0.000 1.148 466 Y CB -0.308 38.184 38.460 0.054 0.000 0.981 466 Y HN -0.393 8.053 8.280 0.266 -0.006 0.507 467 R N -1.499 119.076 120.500 0.125 0.000 2.091 467 R HA -0.471 nan 4.340 nan 0.000 0.238 467 R C 2.223 178.537 176.300 0.023 0.000 1.136 467 R CA 3.969 60.081 56.100 0.020 0.000 0.959 467 R CB -0.329 29.877 30.300 -0.156 0.000 0.856 467 R HN -0.337 7.932 8.270 0.109 0.067 0.437 468 K N -0.569 119.820 120.400 -0.018 0.000 2.002 468 K HA -0.345 nan 4.320 nan 0.000 0.209 468 K C 2.545 179.124 176.600 -0.036 0.000 1.048 468 K CA 3.537 59.798 56.287 -0.043 0.000 0.930 468 K CB -0.246 32.207 32.500 -0.078 0.000 0.714 468 K HN 0.292 8.411 8.250 -0.026 0.115 0.438 469 R N 0.262 120.727 120.500 -0.059 0.000 2.113 469 R HA -0.292 nan 4.340 nan 0.000 0.244 469 R C 2.280 178.443 176.300 -0.229 0.000 1.142 469 R CA 2.418 58.426 56.100 -0.154 0.000 0.953 469 R CB -0.244 29.938 30.300 -0.197 0.000 0.860 469 R HN 0.055 8.180 8.270 -0.062 0.107 0.438 470 F N -2.660 117.260 119.950 -0.050 0.000 2.873 470 F HA 0.044 nan 4.527 nan 0.000 0.289 470 F C -0.966 174.827 175.800 -0.011 0.000 1.206 470 F CA -0.273 57.699 58.000 -0.047 0.000 1.401 470 F CB -0.739 38.220 39.000 -0.068 0.000 0.996 470 F HN -0.135 8.354 8.300 0.317 0.001 0.511 471 S N -2.406 113.341 115.700 0.079 0.000 3.581 471 S HA -0.406 nan 4.470 nan 0.000 0.354 471 S C -1.134 173.521 174.600 0.092 0.000 1.059 471 S CA 1.657 59.920 58.200 0.104 0.000 1.060 471 S CB -2.352 60.957 63.200 0.182 0.000 0.908 471 S HN 0.379 8.534 8.310 0.014 0.163 0.475 472 L N -2.426 118.830 121.223 0.055 0.000 2.313 472 L HA 0.343 nan 4.340 nan 0.000 0.268 472 L C -1.569 175.275 176.870 -0.044 0.000 1.010 472 L CA -1.742 53.102 54.840 0.007 0.000 0.814 472 L CB 1.752 43.795 42.059 -0.027 0.000 1.304 472 L HN -0.198 7.963 8.230 0.050 0.099 0.441 473 K N 1.059 121.414 120.400 -0.074 0.000 2.211 473 K HA 0.393 nan 4.320 nan 0.000 0.275 473 K C -2.024 174.467 176.600 -0.181 0.000 1.024 473 K CA -3.666 52.571 56.287 -0.084 0.000 0.887 473 K CB 1.941 34.421 32.500 -0.033 0.000 1.084 473 K HN 0.419 8.629 8.250 -0.067 0.000 0.463 474 P HA -0.136 nan 4.420 nan 0.000 0.267 474 P C -1.629 175.599 177.300 -0.121 0.000 1.200 474 P CA -0.058 62.926 63.100 -0.193 0.000 0.772 474 P CB 0.471 32.111 31.700 -0.100 0.000 0.855 475 Y N -2.193 118.069 120.300 -0.063 0.000 2.397 475 Y HA -0.097 nan 4.550 nan 0.000 0.335 475 Y C 1.232 177.084 175.900 -0.080 0.000 1.213 475 Y CA -0.328 57.725 58.100 -0.078 0.000 1.391 475 Y CB 0.335 38.723 38.460 -0.120 0.000 1.293 475 Y HN 0.066 8.204 8.280 -0.236 0.000 0.557 476 T N -3.107 111.528 114.554 0.134 0.000 3.057 476 T HA 0.117 nan 4.350 nan 0.000 0.254 476 T C -0.275 174.441 174.700 0.026 0.000 1.094 476 T CA 0.154 62.287 62.100 0.055 0.000 1.088 476 T CB 0.526 69.422 68.868 0.048 0.000 0.934 476 T HN 0.184 8.802 8.240 0.168 -0.277 0.497 477 S N -1.702 113.994 115.700 -0.006 0.000 2.565 477 S HA 0.186 nan 4.470 nan 0.000 0.269 477 S C -0.096 174.459 174.600 -0.076 0.000 1.153 477 S CA -0.750 57.452 58.200 0.002 0.000 0.835 477 S CB 2.248 65.473 63.200 0.041 0.000 1.122 477 S HN -0.776 7.491 8.310 -0.010 0.036 0.462 478 F N 2.038 121.957 119.950 -0.052 0.000 2.269 478 F HA -0.365 nan 4.527 nan 0.000 0.301 478 F C 1.327 177.047 175.800 -0.134 0.000 1.082 478 F CA 5.090 63.037 58.000 -0.088 0.000 1.360 478 F CB -0.363 38.607 39.000 -0.050 0.000 1.041 478 F HN 0.699 9.263 8.300 0.440 0.000 0.512 479 E N -1.364 118.882 120.200 0.076 0.000 2.106 479 E HA -0.312 nan 4.350 nan 0.000 0.192 479 E C 2.499 179.024 176.600 -0.125 0.000 0.984 479 E CA 3.868 60.260 56.400 -0.014 0.000 0.806 479 E CB -0.900 28.806 29.700 0.010 0.000 0.750 479 E HN 0.598 9.010 8.360 0.136 0.030 0.458 480 E N -1.047 119.041 120.200 -0.186 0.000 2.077 480 E HA -0.299 nan 4.350 nan 0.000 0.193 480 E C 2.071 178.230 176.600 -0.735 0.000 0.989 480 E CA 2.809 59.007 56.400 -0.338 0.000 0.800 480 E CB -0.066 29.481 29.700 -0.255 0.000 0.746 480 E HN -0.492 7.667 8.360 -0.121 0.128 0.452 481 L N -2.340 118.406 121.223 -0.795 0.000 1.976 481 L HA -0.226 nan 4.340 nan 0.000 0.209 481 L C 1.749 178.364 176.870 -0.425 0.000 1.071 481 L CA 3.089 57.419 54.840 -0.849 0.000 0.746 481 L CB 0.389 42.199 42.059 -0.414 0.000 0.890 481 L HN -0.246 7.584 8.230 -0.518 0.089 0.432 482 T N -5.857 108.556 114.554 -0.235 0.000 3.014 482 T HA -0.009 nan 4.350 nan 0.000 0.263 482 T C 1.732 176.361 174.700 -0.119 0.000 1.078 482 T CA 1.962 63.980 62.100 -0.137 0.000 1.135 482 T CB 0.188 69.014 68.868 -0.070 0.000 0.895 482 T HN 0.013 8.137 8.240 -0.194 0.000 0.480 483 G N 2.474 111.199 108.800 -0.125 0.000 2.153 483 G HA2 -0.350 nan 3.960 nan 0.000 0.252 483 G HA3 -0.350 nan 3.960 nan 0.000 0.252 483 G C -1.392 173.471 174.900 -0.063 0.000 0.994 483 G CA 0.263 45.309 45.100 -0.089 0.000 0.698 483 G HN 0.392 8.590 8.290 -0.154 0.000 0.521 484 E N -3.656 116.510 120.200 -0.056 0.000 2.445 484 E HA 0.299 nan 4.350 nan 0.000 0.279 484 E C -1.329 175.251 176.600 -0.032 0.000 1.018 484 E CA -2.021 54.354 56.400 -0.042 0.000 0.816 484 E CB 1.669 31.343 29.700 -0.043 0.000 1.356 484 E HN -0.741 7.536 8.360 -0.062 0.046 0.462 485 K N -1.299 119.085 120.400 -0.026 0.000 2.313 485 K HA 0.017 nan 4.320 nan 0.000 0.197 485 K C 1.638 178.224 176.600 -0.023 0.000 1.061 485 K CA 1.342 57.617 56.287 -0.021 0.000 0.980 485 K CB 0.172 32.661 32.500 -0.018 0.000 0.888 485 K HN 0.446 8.679 8.250 -0.027 0.000 0.502 486 E N 0.274 120.458 120.200 -0.026 0.000 2.021 486 E HA -0.294 nan 4.350 nan 0.000 0.200 486 E C 2.282 178.863 176.600 -0.032 0.000 1.015 486 E CA 3.227 59.610 56.400 -0.028 0.000 0.824 486 E CB -0.193 29.491 29.700 -0.028 0.000 0.762 486 E HN -0.126 8.260 8.360 -0.027 -0.042 0.454 487 M N -0.762 118.821 119.600 -0.028 0.000 2.086 487 M HA -0.385 nan 4.480 nan 0.000 0.261 487 M C 1.962 178.248 176.300 -0.024 0.000 1.067 487 M CA 3.326 58.612 55.300 -0.024 0.000 1.116 487 M CB 0.081 32.669 32.600 -0.020 0.000 1.348 487 M HN -0.482 8.224 8.290 -0.028 -0.433 0.407 488 A N -0.968 121.849 122.820 -0.006 0.000 1.896 488 A HA -0.470 nan 4.320 nan 0.000 0.220 488 A C 1.722 179.261 177.584 -0.075 0.000 1.206 488 A CA 3.367 55.421 52.037 0.029 0.000 0.647 488 A CB -1.152 17.873 19.000 0.041 0.000 0.828 488 A HN 0.362 8.873 8.150 -0.010 -0.366 0.455 489 A N -3.019 119.758 122.820 -0.073 0.000 1.969 489 A HA -0.260 nan 4.320 nan 0.000 0.218 489 A C 2.221 179.717 177.584 -0.146 0.000 1.169 489 A CA 2.788 54.760 52.037 -0.110 0.000 0.635 489 A CB -0.743 18.219 19.000 -0.064 0.000 0.810 489 A HN -0.091 8.033 8.150 -0.044 0.000 0.445 490 E N -0.301 119.835 120.200 -0.107 0.000 2.072 490 E HA -0.239 nan 4.350 nan 0.000 0.191 490 E C 2.353 178.877 176.600 -0.127 0.000 0.985 490 E CA 2.194 58.538 56.400 -0.093 0.000 0.801 490 E CB -0.371 29.298 29.700 -0.050 0.000 0.750 490 E HN -0.622 7.599 8.360 -0.078 0.092 0.452 491 L N -0.415 120.709 121.223 -0.165 0.000 2.044 491 L HA -0.342 nan 4.340 nan 0.000 0.205 491 L C 1.746 178.175 176.870 -0.735 0.000 1.075 491 L CA 2.878 57.604 54.840 -0.189 0.000 0.747 491 L CB -0.117 41.942 42.059 -0.001 0.000 0.903 491 L HN 0.551 8.592 8.230 -0.139 0.105 0.435 492 K N -0.623 119.021 120.400 -1.261 0.000 2.113 492 K HA -0.428 nan 4.320 nan 0.000 0.208 492 K C 2.411 178.700 176.600 -0.520 0.000 1.047 492 K CA 3.497 58.958 56.287 -1.376 0.000 0.928 492 K CB -0.165 31.948 32.500 -0.647 0.000 0.716 492 K HN 0.447 8.068 8.250 -0.863 0.111 0.446 493 A N -1.090 121.537 122.820 -0.322 0.000 1.865 493 A HA -0.248 nan 4.320 nan 0.000 0.217 493 A C 2.260 179.763 177.584 -0.135 0.000 1.191 493 A CA 2.853 54.790 52.037 -0.167 0.000 0.623 493 A CB -0.845 18.082 19.000 -0.121 0.000 0.826 493 A HN -0.284 7.474 8.150 -0.330 0.195 0.444 494 L N -2.394 118.748 121.223 -0.134 0.000 1.973 494 L HA -0.349 nan 4.340 nan 0.000 0.208 494 L C 2.575 179.356 176.870 -0.150 0.000 1.073 494 L CA 3.036 57.797 54.840 -0.131 0.000 0.746 494 L CB 0.098 42.093 42.059 -0.106 0.000 0.891 494 L HN -0.784 7.290 8.230 -0.147 0.067 0.433 495 Y N -4.710 115.563 120.300 -0.044 0.000 2.373 495 Y HA -0.330 nan 4.550 nan 0.000 0.293 495 Y C 0.941 176.944 175.900 0.172 0.000 1.129 495 Y CA 3.046 61.236 58.100 0.149 0.000 1.226 495 Y CB 0.091 38.840 38.460 0.482 0.000 1.000 495 Y HN 0.382 8.674 8.280 0.185 0.099 0.549 496 S N -3.165 112.639 115.700 0.175 0.000 4.130 496 S HA -0.504 nan 4.470 nan 0.000 0.326 496 S C -0.525 174.292 174.600 0.361 0.000 1.851 496 S CA 2.611 60.911 58.200 0.167 0.000 4.216 496 S CB -0.864 62.400 63.200 0.107 0.000 0.301 496 S HN 0.128 8.314 8.310 -0.021 0.111 0.455 497 D N 2.168 122.773 120.400 0.341 0.000 2.256 497 D HA 0.153 nan 4.640 nan 0.000 0.250 497 D C 1.236 177.687 176.300 0.252 0.000 1.093 497 D CA -0.701 53.461 54.000 0.270 0.000 0.882 497 D CB 1.038 41.932 40.800 0.157 0.000 1.185 497 D HN -0.280 8.227 8.370 0.292 0.039 0.437 498 I N 4.768 125.350 120.570 0.020 0.000 2.286 498 I HA -0.232 nan 4.170 nan 0.000 0.248 498 I C 0.319 176.297 176.117 -0.232 0.000 1.115 498 I CA 1.846 62.872 61.300 -0.456 0.000 1.392 498 I CB 0.588 38.389 38.000 -0.333 0.000 1.065 498 I HN 0.467 8.732 8.210 0.092 0.000 0.418 499 D N -0.730 119.633 120.400 -0.061 0.000 2.379 499 D HA -0.074 nan 4.640 nan 0.000 0.243 499 D C 1.040 177.360 176.300 0.033 0.000 1.088 499 D CA 2.598 56.587 54.000 -0.018 0.000 0.925 499 D CB -0.670 40.132 40.800 0.003 0.000 0.888 499 D HN -0.336 8.233 8.370 -0.022 -0.212 0.529 500 V N -1.254 118.704 119.914 0.073 0.000 3.432 500 V HA 0.106 nan 4.120 nan 0.000 0.298 500 V C -0.681 175.551 176.094 0.230 0.000 1.464 500 V CA -1.871 60.541 62.300 0.187 0.000 1.046 500 V CB 0.348 32.329 31.823 0.263 0.000 0.887 500 V HN -0.688 7.331 8.190 0.042 0.196 0.441 501 M N 2.489 122.060 119.600 -0.048 0.000 2.248 501 M HA 0.024 nan 4.480 nan 0.000 0.337 501 M C -1.465 174.746 176.300 -0.147 0.000 1.121 501 M CA -1.028 54.055 55.300 -0.362 0.000 1.155 501 M CB 2.032 34.342 32.600 -0.484 0.000 1.514 501 M HN -0.189 7.863 8.290 -0.111 0.171 0.452 502 E N 4.017 124.115 120.200 -0.170 0.000 2.313 502 E HA 0.220 nan 4.350 nan 0.000 0.272 502 E C 0.541 177.118 176.600 -0.038 0.000 1.038 502 E CA -0.396 56.005 56.400 0.003 0.000 0.863 502 E CB 0.761 30.528 29.700 0.113 0.000 1.060 502 E HN 0.129 8.224 8.360 -0.441 0.000 0.402 503 L N 4.593 125.803 121.223 -0.022 0.000 1.989 503 L HA -0.370 nan 4.340 nan 0.000 0.211 503 L C 0.623 177.451 176.870 -0.071 0.000 1.071 503 L CA 3.983 58.769 54.840 -0.091 0.000 0.749 503 L CB 0.075 41.996 42.059 -0.230 0.000 0.890 503 L HN 0.555 8.796 8.230 0.018 0.000 0.431 504 Y N -2.114 118.094 120.300 -0.152 0.000 2.030 504 Y HA -0.377 nan 4.550 nan 0.000 0.274 504 Y C -1.019 174.834 175.900 -0.078 0.000 1.153 504 Y CA 4.886 62.904 58.100 -0.136 0.000 1.115 504 Y CB -2.344 36.018 38.460 -0.163 0.000 0.969 504 Y HN 0.112 8.424 8.280 0.053 0.000 0.488 505 P HA -0.325 nan 4.420 nan 0.000 0.214 505 P C 0.987 178.153 177.300 -0.222 0.000 1.162 505 P CA 2.906 65.874 63.100 -0.221 0.000 0.879 505 P CB -0.637 31.058 31.700 -0.007 0.000 0.786 506 A N -4.574 118.146 122.820 -0.167 0.000 2.084 506 A HA -0.198 nan 4.320 nan 0.000 0.221 506 A C 1.149 178.658 177.584 -0.126 0.000 1.161 506 A CA 2.333 54.290 52.037 -0.134 0.000 0.653 506 A CB -0.735 18.197 19.000 -0.113 0.000 0.802 506 A HN -0.471 7.591 8.150 -0.148 0.000 0.457 507 L N -3.340 117.769 121.223 -0.190 0.000 2.095 507 L HA -0.186 nan 4.340 nan 0.000 0.204 507 L C 1.053 177.809 176.870 -0.190 0.000 1.080 507 L CA 2.185 56.913 54.840 -0.188 0.000 0.759 507 L CB 0.530 42.450 42.059 -0.230 0.000 0.914 507 L HN -0.796 7.120 8.230 -0.239 0.170 0.439 508 L N -4.243 116.829 121.223 -0.251 0.000 2.307 508 L HA -0.019 nan 4.340 nan 0.000 0.211 508 L C 1.470 178.256 176.870 -0.140 0.000 1.099 508 L CA 1.788 56.511 54.840 -0.195 0.000 0.816 508 L CB 0.443 42.365 42.059 -0.227 0.000 0.952 508 L HN -0.621 7.312 8.230 -0.339 0.095 0.455 509 V N -1.696 118.138 119.914 -0.132 0.000 2.812 509 V HA 0.163 nan 4.120 nan 0.000 0.344 509 V C -1.631 174.408 176.094 -0.092 0.000 1.244 509 V CA -1.278 60.964 62.300 -0.095 0.000 1.447 509 V CB -0.781 31.000 31.823 -0.070 0.000 1.534 509 V HN -0.397 7.698 8.190 -0.158 0.000 0.590 510 E N 2.187 122.332 120.200 -0.091 0.000 2.244 510 E HA 0.232 nan 4.350 nan 0.000 0.266 510 E C -1.783 174.769 176.600 -0.080 0.000 0.914 510 E CA -1.895 54.458 56.400 -0.079 0.000 0.794 510 E CB 2.912 32.587 29.700 -0.042 0.000 1.210 510 E HN -0.824 7.412 8.360 -0.094 0.067 0.414 511 K N 4.230 124.574 120.400 -0.093 0.000 2.378 511 K HA 0.172 nan 4.320 nan 0.000 0.288 511 K C -1.996 174.568 176.600 -0.059 0.000 1.057 511 K CA -1.686 54.551 56.287 -0.084 0.000 0.971 511 K CB 0.090 32.531 32.500 -0.100 0.000 0.975 511 K HN 0.051 8.228 8.250 -0.122 0.000 0.475 512 P HA -0.071 nan 4.420 nan 0.000 0.271 512 P C -1.095 176.153 177.300 -0.085 0.000 1.220 512 P CA -0.144 62.905 63.100 -0.085 0.000 0.768 512 P CB 0.478 32.108 31.700 -0.118 0.000 0.848 513 R N 5.201 125.641 120.500 -0.100 0.000 2.679 513 R HA 0.038 nan 4.340 nan 0.000 0.268 513 R C -0.633 175.589 176.300 -0.131 0.000 1.044 513 R CA -0.270 55.753 56.100 -0.128 0.000 1.105 513 R CB -0.991 29.154 30.300 -0.259 0.000 0.989 513 R HN -0.109 8.106 8.270 -0.092 0.000 0.447 514 P HA -0.439 nan 4.420 nan 0.000 0.260 514 P C -0.147 177.095 177.300 -0.097 0.000 0.829 514 P CA 2.313 65.377 63.100 -0.060 0.000 1.087 514 P CB -0.036 31.648 31.700 -0.027 0.000 0.816 515 D N -1.680 118.651 120.400 -0.115 0.000 2.894 515 D HA 0.051 nan 4.640 nan 0.000 0.248 515 D C -0.980 175.199 176.300 -0.203 0.000 1.291 515 D CA -0.312 53.602 54.000 -0.144 0.000 0.840 515 D CB -0.656 40.066 40.800 -0.129 0.000 1.044 515 D HN 0.064 8.370 8.370 -0.106 0.000 0.484 516 A N -0.427 122.261 122.820 -0.220 0.000 2.304 516 A HA 0.270 nan 4.320 nan 0.000 0.271 516 A C -0.831 176.513 177.584 -0.400 0.000 1.091 516 A CA -0.949 50.907 52.037 -0.303 0.000 0.812 516 A CB 2.082 20.929 19.000 -0.256 0.000 1.056 516 A HN 0.332 8.269 8.150 -0.186 0.102 0.489 517 I N -1.524 118.651 120.570 -0.659 0.000 3.059 517 I HA -0.068 nan 4.170 nan 0.000 0.270 517 I C -2.105 173.572 176.117 -0.733 0.000 1.238 517 I CA 1.570 62.388 61.300 -0.805 0.000 1.478 517 I CB 0.719 38.054 38.000 -1.109 0.000 1.097 517 I HN 0.255 8.281 8.210 -0.747 -0.264 0.455 518 F N -6.817 112.958 119.950 -0.291 0.000 2.741 518 F HA 0.616 nan 4.527 nan 0.000 0.313 518 F C -1.222 174.466 175.800 -0.188 0.000 1.153 518 F CA -2.428 55.414 58.000 -0.264 0.000 0.931 518 F CB 1.295 40.093 39.000 -0.336 0.000 1.335 518 F HN -0.794 7.063 8.300 -0.679 0.036 0.460 519 G N -1.680 107.189 108.800 0.116 0.000 2.543 519 G HA2 0.228 nan 3.960 nan 0.000 0.290 519 G HA3 0.228 nan 3.960 nan 0.000 0.290 519 G C -0.980 173.961 174.900 0.069 0.000 1.310 519 G CA -1.665 43.467 45.100 0.053 0.000 1.025 519 G HN -0.009 8.336 8.290 0.093 0.000 0.502 520 E N -0.194 120.040 120.200 0.057 0.000 2.049 520 E HA -0.455 nan 4.350 nan 0.000 0.198 520 E C 1.957 178.569 176.600 0.020 0.000 1.007 520 E CA 3.795 60.232 56.400 0.061 0.000 0.809 520 E CB -0.008 29.738 29.700 0.077 0.000 0.749 520 E HN 0.606 8.999 8.360 0.054 0.000 0.450 521 T N 1.418 115.976 114.554 0.007 0.000 2.653 521 T HA -0.333 nan 4.350 nan 0.000 0.268 521 T C 2.139 176.761 174.700 -0.131 0.000 1.035 521 T CA 4.268 66.332 62.100 -0.059 0.000 1.154 521 T CB -0.623 68.225 68.868 -0.033 0.000 0.862 521 T HN -0.470 8.050 8.240 0.057 -0.246 0.441 522 M N 1.300 120.814 119.600 -0.143 0.000 2.064 522 M HA -0.258 nan 4.480 nan 0.000 0.260 522 M C 1.403 177.550 176.300 -0.255 0.000 1.073 522 M CA 3.062 58.202 55.300 -0.268 0.000 1.124 522 M CB -0.285 32.048 32.600 -0.446 0.000 1.326 522 M HN -0.696 7.684 8.290 -0.090 -0.144 0.410 523 V N -0.934 118.897 119.914 -0.138 0.000 2.568 523 V HA -0.481 nan 4.120 nan 0.000 0.253 523 V C 2.680 178.782 176.094 0.014 0.000 1.072 523 V CA 4.064 66.366 62.300 0.004 0.000 1.084 523 V CB -1.578 30.350 31.823 0.176 0.000 0.676 523 V HN -0.052 8.098 8.190 -0.068 0.000 0.469 524 E N -1.261 118.914 120.200 -0.041 0.000 2.122 524 E HA -0.123 nan 4.350 nan 0.000 0.190 524 E C 2.019 178.463 176.600 -0.261 0.000 0.977 524 E CA 2.156 58.529 56.400 -0.044 0.000 0.820 524 E CB -0.087 29.624 29.700 0.018 0.000 0.770 524 E HN 0.224 8.514 8.360 -0.062 0.033 0.462 525 L N -2.679 118.213 121.223 -0.551 0.000 2.109 525 L HA -0.067 nan 4.340 nan 0.000 0.207 525 L C 2.169 178.479 176.870 -0.934 0.000 1.086 525 L CA 2.401 56.468 54.840 -1.288 0.000 0.760 525 L CB 0.098 41.511 42.059 -1.077 0.000 0.910 525 L HN -0.556 7.434 8.230 -0.399 0.000 0.437 526 G N -2.896 105.704 108.800 -0.334 0.000 2.408 526 G HA2 -0.272 nan 3.960 nan 0.000 0.215 526 G HA3 -0.272 nan 3.960 nan 0.000 0.215 526 G C 0.333 175.411 174.900 0.296 0.000 1.156 526 G CA 1.485 46.663 45.100 0.129 0.000 0.793 526 G HN -0.254 7.861 8.290 -0.292 0.000 0.535 527 A N 2.024 124.946 122.820 0.170 0.000 1.865 527 A HA -0.126 nan 4.320 nan 0.000 0.217 527 A C -0.914 176.805 177.584 0.226 0.000 1.191 527 A CA 4.688 56.866 52.037 0.235 0.000 0.623 527 A CB -2.196 16.926 19.000 0.204 0.000 0.826 527 A HN -0.278 7.915 8.150 0.072 0.000 0.444 528 P HA -0.212 nan 4.420 nan 0.000 0.215 528 P C 1.425 178.905 177.300 0.300 0.000 1.157 528 P CA 3.023 66.259 63.100 0.227 0.000 0.868 528 P CB -0.262 31.607 31.700 0.282 0.000 0.788 529 F N -4.025 115.922 119.950 -0.006 0.000 2.134 529 F HA -0.173 nan 4.527 nan 0.000 0.299 529 F C 2.336 177.791 175.800 -0.576 0.000 1.097 529 F CA 0.998 58.771 58.000 -0.378 0.000 1.264 529 F CB -0.837 37.807 39.000 -0.593 0.000 1.001 529 F HN -0.868 7.591 8.300 0.265 0.000 0.479 530 S N -1.429 114.310 115.700 0.063 0.000 2.522 530 S HA -0.155 nan 4.470 nan 0.000 0.227 530 S C 1.958 176.645 174.600 0.145 0.000 0.986 530 S CA 2.751 61.090 58.200 0.232 0.000 0.929 530 S CB -0.271 63.341 63.200 0.687 0.000 0.769 530 S HN 0.081 8.511 8.310 0.331 0.078 0.529 531 L N -0.139 121.156 121.223 0.121 0.000 2.253 531 L HA -0.048 nan 4.340 nan 0.000 0.205 531 L C 1.206 178.125 176.870 0.081 0.000 1.078 531 L CA 1.994 56.900 54.840 0.110 0.000 0.805 531 L CB 0.148 42.288 42.059 0.134 0.000 0.963 531 L HN -0.583 7.690 8.230 0.137 0.039 0.459 532 K N -1.320 119.113 120.400 0.057 0.000 2.365 532 K HA -0.274 nan 4.320 nan 0.000 0.199 532 K C 1.284 177.854 176.600 -0.050 0.000 1.045 532 K CA 2.963 59.283 56.287 0.055 0.000 0.962 532 K CB -0.224 32.263 32.500 -0.022 0.000 0.759 532 K HN -0.726 7.552 8.250 0.046 0.000 0.469 533 G N -2.868 105.840 108.800 -0.152 0.000 2.539 533 G HA2 0.020 nan 3.960 nan 0.000 0.215 533 G HA3 0.020 nan 3.960 nan 0.000 0.215 533 G C 0.427 175.231 174.900 -0.160 0.000 1.141 533 G CA 1.138 46.078 45.100 -0.266 0.000 0.806 533 G HN -0.703 7.457 8.290 -0.153 0.039 0.533 534 L N 0.749 121.938 121.223 -0.055 0.000 2.116 534 L HA 0.054 nan 4.340 nan 0.000 0.200 534 L C 1.354 178.257 176.870 0.056 0.000 1.084 534 L CA 2.133 56.969 54.840 -0.007 0.000 0.766 534 L CB -0.178 41.889 42.059 0.012 0.000 0.930 534 L HN -0.991 7.087 8.230 -0.032 0.133 0.453 535 M N -4.840 114.815 119.600 0.092 0.000 2.099 535 M HA -0.083 nan 4.480 nan 0.000 0.262 535 M C 2.301 178.798 176.300 0.328 0.000 1.067 535 M CA 0.300 55.666 55.300 0.111 0.000 1.124 535 M CB -0.131 32.391 32.600 -0.130 0.000 1.353 535 M HN 0.022 8.357 8.290 0.076 0.000 0.410 536 G N -1.262 107.792 108.800 0.424 0.000 3.090 536 G HA2 -0.150 nan 3.960 nan 0.000 0.259 536 G HA3 -0.150 nan 3.960 nan 0.000 0.259 536 G C -1.481 173.512 174.900 0.155 0.000 0.797 536 G CA -0.055 45.208 45.100 0.271 0.000 2.032 536 G HN -0.308 8.076 8.290 0.329 0.103 0.614 537 N N 1.897 120.747 118.700 0.249 0.000 2.352 537 N HA 0.310 nan 4.740 nan 0.000 0.291 537 N C -1.533 174.059 175.510 0.136 0.000 1.040 537 N CA -2.884 50.242 53.050 0.126 0.000 0.864 537 N CB 2.622 41.160 38.487 0.084 0.000 1.440 537 N HN -0.071 8.491 8.380 0.400 0.058 0.483 538 P HA -0.346 nan 4.420 nan 0.000 0.219 538 P C 1.428 178.506 177.300 -0.370 0.000 1.158 538 P CA 2.680 65.591 63.100 -0.315 0.000 0.895 538 P CB 0.235 31.595 31.700 -0.568 0.000 0.792 539 I N -5.891 114.591 120.570 -0.147 0.000 2.335 539 I HA -0.306 nan 4.170 nan 0.000 0.251 539 I C 0.863 177.238 176.117 0.430 0.000 1.129 539 I CA 2.985 64.440 61.300 0.258 0.000 1.402 539 I CB -0.526 37.807 38.000 0.556 0.000 1.069 539 I HN -0.701 7.648 8.210 -0.091 -0.194 0.424 540 C N -1.568 117.908 119.300 0.294 0.000 2.491 540 C HA -0.024 nan 4.460 nan 0.000 0.277 540 C C 0.161 175.385 174.990 0.389 0.000 1.455 540 C CA -0.254 58.928 59.018 0.274 0.000 1.758 540 C CB -1.962 25.978 27.740 0.332 0.000 1.745 540 C HN -0.103 8.160 8.230 0.243 0.112 0.558 541 S N 1.529 117.304 115.700 0.126 0.000 2.576 541 S HA 0.220 nan 4.470 nan 0.000 0.276 541 S C -0.787 173.744 174.600 -0.116 0.000 1.339 541 S CA -1.228 56.715 58.200 -0.429 0.000 1.039 541 S CB 0.881 63.863 63.200 -0.364 0.000 0.902 541 S HN -0.160 8.021 8.310 0.150 0.220 0.516 542 P HA -0.039 nan 4.420 nan 0.000 0.226 542 P C 0.020 177.149 177.300 -0.286 0.000 1.153 542 P CA 2.214 64.816 63.100 -0.830 0.000 0.777 542 P CB 0.008 30.991 31.700 -1.194 0.000 0.794 543 Q N -3.218 116.498 119.800 -0.140 0.000 2.187 543 Q HA -0.169 nan 4.340 nan 0.000 0.199 543 Q C 1.289 177.275 176.000 -0.023 0.000 0.957 543 Q CA 2.482 58.247 55.803 -0.064 0.000 0.857 543 Q CB -0.572 28.154 28.738 -0.019 0.000 0.929 543 Q HN -0.363 7.755 8.270 -0.172 0.049 0.453 544 Y N -3.503 116.785 120.300 -0.020 0.000 2.479 544 Y HA -0.053 nan 4.550 nan 0.000 0.283 544 Y C 0.452 176.433 175.900 0.136 0.000 1.109 544 Y CA 0.882 58.999 58.100 0.027 0.000 1.239 544 Y CB 1.533 40.069 38.460 0.127 0.000 1.108 544 Y HN -0.672 7.739 8.280 0.388 0.102 0.548 545 W N 2.700 124.157 121.300 0.261 0.000 1.534 545 W HA -0.175 nan 4.660 nan 0.000 0.520 545 W C -1.033 175.534 176.519 0.080 0.000 0.682 545 W CA 1.185 58.737 57.345 0.345 0.000 2.176 545 W CB -0.851 28.956 29.460 0.578 0.000 1.620 545 W HN 0.274 8.695 8.180 0.576 0.104 0.206 546 K N 0.783 120.908 120.400 -0.458 0.000 2.555 546 K HA 0.364 nan 4.320 nan 0.000 0.279 546 K C -2.938 173.041 176.600 -1.035 0.000 0.986 546 K CA -2.983 52.849 56.287 -0.758 0.000 0.880 546 K CB 0.546 32.827 32.500 -0.364 0.000 1.474 546 K HN -0.173 7.818 8.250 -0.363 0.042 0.433 547 P HA -0.152 nan 4.420 nan 0.000 0.286 547 P C 0.368 177.469 177.300 -0.332 0.000 1.278 547 P CA 0.352 63.127 63.100 -0.542 0.000 0.785 547 P CB -0.047 31.512 31.700 -0.235 0.000 1.269 548 S N -4.673 110.956 115.700 -0.117 0.000 1.885 548 S HA -0.559 nan 4.470 nan 0.000 0.220 548 S C 2.129 176.621 174.600 -0.181 0.000 0.988 548 S CA 3.461 61.611 58.200 -0.084 0.000 1.627 548 S CB -2.029 61.115 63.200 -0.094 0.000 2.182 548 S HN 0.183 8.372 8.310 -0.008 0.116 0.556 549 T N 4.801 119.083 114.554 -0.452 0.000 2.822 549 T HA -0.231 nan 4.350 nan 0.000 0.270 549 T C 0.923 175.234 174.700 -0.648 0.000 1.064 549 T CA 3.545 65.250 62.100 -0.660 0.000 1.131 549 T CB -0.330 67.900 68.868 -1.063 0.000 0.858 549 T HN 0.271 8.148 8.240 -0.519 0.051 0.483 550 F N -1.458 118.550 119.950 0.097 0.000 2.850 550 F HA 0.317 nan 4.527 nan 0.000 0.306 550 F C 0.132 176.060 175.800 0.212 0.000 1.162 550 F CA -2.592 55.512 58.000 0.173 0.000 1.327 550 F CB -1.487 37.654 39.000 0.235 0.000 0.953 550 F HN -0.640 7.361 8.300 -0.430 0.042 0.507 551 G N -2.281 106.694 108.800 0.292 0.000 2.284 551 G HA2 -0.413 nan 3.960 nan 0.000 0.261 551 G HA3 -0.413 nan 3.960 nan 0.000 0.261 551 G C -1.994 173.055 174.900 0.249 0.000 0.997 551 G CA 0.717 46.075 45.100 0.431 0.000 0.621 551 G HN 0.049 8.272 8.290 0.144 0.153 0.534 552 G N -2.687 106.258 108.800 0.241 0.000 2.341 552 G HA2 -0.088 nan 3.960 nan 0.000 0.299 552 G HA3 -0.088 nan 3.960 nan 0.000 0.299 552 G C -1.023 173.992 174.900 0.192 0.000 1.274 552 G CA -0.429 44.789 45.100 0.198 0.000 0.853 552 G HN -1.005 7.351 8.290 0.271 0.097 0.493 553 E N -0.098 120.196 120.200 0.157 0.000 2.170 553 E HA -0.092 nan 4.350 nan 0.000 0.191 553 E C 1.827 178.557 176.600 0.218 0.000 0.981 553 E CA 1.785 58.299 56.400 0.190 0.000 0.830 553 E CB 0.074 29.846 29.700 0.120 0.000 0.775 553 E HN 0.387 8.819 8.360 0.121 0.000 0.470 554 V N -0.216 119.795 119.914 0.161 0.000 2.215 554 V HA -0.391 nan 4.120 nan 0.000 0.246 554 V C 2.474 178.673 176.094 0.175 0.000 1.047 554 V CA 4.633 67.013 62.300 0.133 0.000 0.999 554 V CB -1.253 30.631 31.823 0.102 0.000 0.635 554 V HN 0.000 8.253 8.190 0.138 0.020 0.450 555 G N -0.935 108.003 108.800 0.231 0.000 2.505 555 G HA2 -0.353 nan 3.960 nan 0.000 0.220 555 G HA3 -0.353 nan 3.960 nan 0.000 0.220 555 G C 1.284 176.363 174.900 0.299 0.000 1.145 555 G CA 2.126 47.389 45.100 0.273 0.000 0.761 555 G HN 0.099 8.528 8.290 0.233 0.000 0.571 556 F N 2.164 122.224 119.950 0.185 0.000 2.202 556 F HA -0.210 nan 4.527 nan 0.000 0.301 556 F C 0.138 175.947 175.800 0.015 0.000 1.082 556 F CA 1.616 59.675 58.000 0.099 0.000 1.313 556 F CB 0.355 39.409 39.000 0.089 0.000 1.024 556 F HN -0.782 7.810 8.300 0.495 0.005 0.495 557 K N -2.289 118.138 120.400 0.044 0.000 2.708 557 K HA 0.080 nan 4.320 nan 0.000 0.219 557 K C 0.263 176.862 176.600 -0.001 0.000 1.068 557 K CA -0.967 55.290 56.287 -0.051 0.000 1.212 557 K CB -1.929 30.571 32.500 0.001 0.000 0.978 557 K HN -0.106 8.114 8.250 0.169 0.132 0.475 558 I N -0.158 120.422 120.570 0.017 0.000 3.673 558 I HA -0.114 nan 4.170 nan 0.000 0.281 558 I C 1.416 177.561 176.117 0.046 0.000 1.182 558 I CA 2.285 63.614 61.300 0.048 0.000 1.391 558 I CB 1.186 39.235 38.000 0.082 0.000 1.383 558 I HN -0.322 7.784 8.210 0.013 0.112 0.456 559 I N 1.258 121.841 120.570 0.022 0.000 2.163 559 I HA -0.517 nan 4.170 nan 0.000 0.243 559 I C 1.120 177.301 176.117 0.107 0.000 1.085 559 I CA 4.037 65.388 61.300 0.085 0.000 1.347 559 I CB -0.182 37.869 38.000 0.085 0.000 1.044 559 I HN -0.603 7.602 8.210 -0.008 0.000 0.408 560 N N -2.317 116.370 118.700 -0.021 0.000 2.416 560 N HA 0.038 nan 4.740 nan 0.000 0.215 560 N C 0.190 175.706 175.510 0.011 0.000 1.208 560 N CA 1.433 54.474 53.050 -0.015 0.000 0.834 560 N CB -0.680 37.699 38.487 -0.179 0.000 1.072 560 N HN -0.454 7.844 8.380 -0.137 -0.001 0.472 561 T N -5.471 109.105 114.554 0.037 0.000 3.326 561 T HA 0.157 nan 4.350 nan 0.000 0.302 561 T C -0.923 173.806 174.700 0.048 0.000 0.908 561 T CA -0.762 61.359 62.100 0.035 0.000 0.933 561 T CB 1.122 70.004 68.868 0.023 0.000 1.194 561 T HN -0.384 7.793 8.240 0.051 0.094 0.585 562 A N 2.509 125.373 122.820 0.074 0.000 2.425 562 A HA 0.049 nan 4.320 nan 0.000 0.242 562 A C -1.512 176.107 177.584 0.058 0.000 1.077 562 A CA 0.927 53.012 52.037 0.081 0.000 0.781 562 A CB 0.464 19.539 19.000 0.126 0.000 1.020 562 A HN -0.453 7.652 8.150 0.091 0.100 0.494 563 S N -0.367 115.353 115.700 0.034 0.000 2.586 563 S HA 0.062 nan 4.470 nan 0.000 0.277 563 S C -0.394 174.174 174.600 -0.053 0.000 1.131 563 S CA -0.626 57.566 58.200 -0.014 0.000 0.848 563 S CB 2.189 65.368 63.200 -0.035 0.000 1.091 563 S HN -0.383 7.950 8.310 0.039 0.000 0.453 564 I N 3.721 124.207 120.570 -0.140 0.000 2.394 564 I HA -0.322 nan 4.170 nan 0.000 0.251 564 I C 0.464 176.454 176.117 -0.211 0.000 1.136 564 I CA 1.491 62.675 61.300 -0.195 0.000 1.425 564 I CB -0.525 37.157 38.000 -0.529 0.000 1.079 564 I HN 0.478 8.887 8.210 -0.180 -0.307 0.425 565 Q N -0.552 119.109 119.800 -0.232 0.000 2.061 565 Q HA -0.313 nan 4.340 nan 0.000 0.204 565 Q C 2.173 178.100 176.000 -0.122 0.000 0.984 565 Q CA 3.376 59.057 55.803 -0.202 0.000 0.846 565 Q CB -0.686 27.956 28.738 -0.159 0.000 0.902 565 Q HN 0.379 8.488 8.270 -0.237 0.019 0.421 566 S N 0.328 115.978 115.700 -0.083 0.000 2.377 566 S HA -0.227 nan 4.470 nan 0.000 0.223 566 S C 2.157 176.719 174.600 -0.064 0.000 1.030 566 S CA 3.396 61.565 58.200 -0.052 0.000 0.970 566 S CB -0.058 63.128 63.200 -0.023 0.000 0.830 566 S HN -0.355 7.828 8.310 -0.079 0.080 0.473 567 L N 2.367 123.542 121.223 -0.080 0.000 2.051 567 L HA -0.356 nan 4.340 nan 0.000 0.214 567 L C 1.936 178.726 176.870 -0.133 0.000 1.076 567 L CA 3.420 58.184 54.840 -0.127 0.000 0.758 567 L CB -0.144 41.805 42.059 -0.184 0.000 0.890 567 L HN 0.109 8.226 8.230 -0.075 0.068 0.433 568 I N -1.447 119.057 120.570 -0.111 0.000 2.296 568 I HA -0.373 nan 4.170 nan 0.000 0.242 568 I C 1.248 177.316 176.117 -0.082 0.000 1.087 568 I CA 4.103 65.343 61.300 -0.100 0.000 1.393 568 I CB 0.006 37.949 38.000 -0.096 0.000 1.093 568 I HN -0.415 7.723 8.210 -0.110 0.005 0.421 569 c N -0.673 117.885 118.600 -0.070 0.000 2.409 569 c HA -0.344 nan 4.570 nan 0.000 0.284 569 c C 1.885 175.950 174.090 -0.042 0.000 1.354 569 c CA 3.287 59.588 56.329 -0.046 0.000 1.787 569 c CB -1.625 40.866 42.510 -0.032 0.000 1.900 569 c HN -0.239 7.943 8.230 -0.080 0.000 0.520 570 N N -2.152 116.519 118.700 -0.048 0.000 2.409 570 N HA 0.097 nan 4.740 nan 0.000 0.174 570 N C 0.606 176.084 175.510 -0.052 0.000 1.037 570 N CA 2.139 55.165 53.050 -0.039 0.000 0.898 570 N CB 0.449 38.919 38.487 -0.028 0.000 1.010 570 N HN 0.214 8.511 8.380 -0.059 0.048 0.445 571 N N -2.658 115.996 118.700 -0.076 0.000 2.273 571 N HA 0.083 nan 4.740 nan 0.000 0.192 571 N C -0.530 174.914 175.510 -0.110 0.000 1.132 571 N CA 0.553 53.545 53.050 -0.096 0.000 0.887 571 N CB 3.077 41.492 38.487 -0.119 0.000 1.048 571 N HN -0.500 7.717 8.380 -0.083 0.114 0.490 572 V N -0.307 119.550 119.914 -0.095 0.000 2.398 572 V HA 0.131 nan 4.120 nan 0.000 0.286 572 V C 0.013 176.066 176.094 -0.067 0.000 1.026 572 V CA -1.660 60.584 62.300 -0.092 0.000 0.868 572 V CB -0.108 31.663 31.823 -0.086 0.000 0.982 572 V HN 0.215 8.265 8.190 -0.083 0.090 0.443 573 K N 7.389 127.747 120.400 -0.070 0.000 2.303 573 K HA -0.355 nan 4.320 nan 0.000 0.208 573 K C 0.220 176.802 176.600 -0.030 0.000 1.035 573 K CA 2.163 58.420 56.287 -0.049 0.000 0.934 573 K CB -0.189 32.288 32.500 -0.038 0.000 0.759 573 K HN 0.542 8.738 8.250 -0.090 0.000 0.490 574 G N -3.824 104.961 108.800 -0.024 0.000 2.992 574 G HA2 -0.081 nan 3.960 nan 0.000 0.195 574 G HA3 -0.081 nan 3.960 nan 0.000 0.195 574 G C -1.651 173.241 174.900 -0.014 0.000 2.032 574 G CA -0.335 44.758 45.100 -0.011 0.000 0.831 574 G HN -0.580 7.630 8.290 -0.029 0.062 0.647 575 c N 0.433 119.028 118.600 -0.008 0.000 2.158 575 c HA 0.058 nan 4.570 nan 0.000 0.324 575 c C -2.690 171.406 174.090 0.010 0.000 0.779 575 c CA -1.831 54.493 56.329 -0.008 0.000 0.553 575 c CB -1.050 41.459 42.510 -0.001 0.000 1.373 575 c HN -0.061 8.168 8.230 -0.002 0.000 0.782 576 P HA 0.151 nan 4.420 nan 0.000 0.275 576 P C -1.706 175.617 177.300 0.038 0.000 1.228 576 P CA -0.375 62.746 63.100 0.036 0.000 0.786 576 P CB 0.804 32.513 31.700 0.015 0.000 0.927 577 F N 1.190 121.128 119.950 -0.020 0.000 2.459 577 F HA -0.045 nan 4.527 nan 0.000 0.346 577 F C -1.384 174.402 175.800 -0.024 0.000 1.128 577 F CA 0.308 58.293 58.000 -0.025 0.000 1.268 577 F CB 1.599 40.587 39.000 -0.020 0.000 1.161 577 F HN -0.197 8.259 8.300 0.260 0.000 0.583 578 T N 5.086 118.842 114.554 -1.330 0.000 2.762 578 T HA 0.305 nan 4.350 nan 0.000 0.301 578 T C -2.063 171.978 174.700 -1.098 0.000 1.299 578 T CA -0.905 60.614 62.100 -0.970 0.000 1.005 578 T CB 2.697 71.310 68.868 -0.425 0.000 1.377 578 T HN -0.093 7.497 8.240 -1.378 -0.176 0.504 579 S N -1.317 114.018 115.700 -0.609 0.000 2.669 579 S HA 0.204 nan 4.470 nan 0.000 0.266 579 S C -1.792 172.645 174.600 -0.272 0.000 1.149 579 S CA -0.357 57.559 58.200 -0.472 0.000 0.842 579 S CB 1.063 64.125 63.200 -0.231 0.000 1.160 579 S HN -0.247 7.827 8.310 -0.394 0.000 0.487 580 F N -1.759 118.137 119.950 -0.089 0.000 2.654 580 F HA 0.167 nan 4.527 nan 0.000 0.303 580 F C -1.124 174.415 175.800 -0.435 0.000 1.099 580 F CA -0.946 56.957 58.000 -0.161 0.000 1.270 580 F CB 0.978 39.905 39.000 -0.122 0.000 1.024 580 F HN 0.069 8.295 8.300 -0.124 0.000 0.548 581 N N -0.626 118.089 118.700 0.026 0.000 2.229 581 N HA 0.169 nan 4.740 nan 0.000 0.298 581 N C -0.399 175.173 175.510 0.103 0.000 1.114 581 N CA -0.962 52.148 53.050 0.100 0.000 0.776 581 N CB 3.003 41.620 38.487 0.217 0.000 1.501 581 N HN -0.591 7.729 8.380 0.050 0.090 0.474 582 V N 4.923 124.884 119.914 0.078 0.000 3.394 582 V HA -0.157 nan 4.120 nan 0.000 0.340 582 V C -1.003 175.145 176.094 0.091 0.000 1.174 582 V CA -0.037 62.308 62.300 0.075 0.000 1.368 582 V CB -1.916 29.926 31.823 0.031 0.000 1.111 582 V HN 0.426 8.555 8.190 0.061 0.098 0.420 583 Q N 0.000 119.890 119.800 0.150 0.000 2.315 583 Q HA 0.000 nan 4.340 nan 0.000 0.214 583 Q CA 0.000 55.873 55.803 0.117 0.000 1.022 583 Q CB 0.000 28.787 28.738 0.082 0.000 1.108 583 Q HN 0.000 8.282 8.270 0.190 0.102 0.481