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 3krk_1_B DATA FIRST_RESID 33 DATA SEQUENCE HHPccSNPcQ 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 TIWLREHNRV CDILKQEHPE WGDEQLFQTS DATA SEQUENCE RLILIGETIK IVIEDYVQHL SGYHFKLKFD PELLFNQQFQ YQNRIASEFN DATA SEQUENCE TLYHWHPLLP DTFNIEDQEY SFKQFLYNNS ILLEHGLTQF VESFTRQIAG DATA SEQUENCE RVAGGRNVPI AVQAVAKASI DQSREMKYQS LNEYRKRFSL KPYTSFEELT DATA SEQUENCE GEKEMAAELK ALYSDIDVME LYPALLVEKP RPDAIFGETM VELGAPFSFK 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 H HA 0.000 nan 4.556 nan 0.000 0.296 33 H C 0.000 175.409 175.328 0.135 0.000 0.993 33 H CA 0.000 56.114 56.048 0.111 0.000 1.023 33 H CB 0.000 29.820 29.762 0.097 0.000 1.292 34 H N 1.757 121.003 119.070 0.293 0.000 3.070 34 H HA 0.047 4.603 4.556 -0.000 0.000 0.313 34 H C -1.672 173.788 175.328 0.221 0.000 0.997 34 H CA -1.032 55.133 56.048 0.195 0.000 1.438 34 H CB 1.019 30.866 29.762 0.142 0.000 1.455 34 H HN 0.507 nan 8.280 nan 0.000 0.575 35 P HA -0.071 nan 4.420 nan 0.000 0.222 35 P C 0.951 178.397 177.300 0.243 0.000 1.147 35 P CA 0.891 64.123 63.100 0.219 0.000 0.790 35 P CB 0.224 32.027 31.700 0.171 0.000 0.780 36 c N -2.409 116.402 118.600 0.352 0.000 2.673 36 c HA 0.110 4.679 4.570 -0.000 0.000 0.274 36 c C 2.509 176.575 174.090 -0.041 0.000 1.276 36 c CA -0.248 56.108 56.329 0.045 0.000 1.701 36 c CB -2.084 40.439 42.510 0.022 0.000 1.836 36 c HN 0.341 nan 8.230 nan 0.000 0.596 37 c N 1.593 120.234 118.600 0.069 0.000 2.403 37 c HA -0.123 4.447 4.570 -0.000 0.000 0.277 37 c C 2.854 176.909 174.090 -0.059 0.000 1.248 37 c CA 2.173 58.497 56.329 -0.008 0.000 1.762 37 c CB -1.252 41.253 42.510 -0.008 0.000 2.014 37 c HN 0.810 nan 8.230 nan 0.000 0.486 38 S N 0.378 116.048 115.700 -0.049 0.000 2.650 38 S HA -0.006 4.464 4.470 -0.000 0.000 0.219 38 S C 0.308 174.839 174.600 -0.115 0.000 0.960 38 S CA 0.240 58.399 58.200 -0.068 0.000 0.925 38 S CB -0.756 62.422 63.200 -0.036 0.000 0.775 38 S HN 0.677 nan 8.310 nan 0.000 0.525 39 N N 1.918 120.527 118.700 -0.152 0.000 2.667 39 N HA -0.096 4.643 4.740 -0.000 0.000 0.263 39 N C -1.954 173.441 175.510 -0.191 0.000 1.038 39 N CA 1.020 53.964 53.050 -0.176 0.000 0.749 39 N CB -1.115 37.282 38.487 -0.151 0.000 0.892 39 N HN 0.475 nan 8.380 nan 0.000 0.546 40 P HA 0.008 nan 4.420 nan 0.000 0.224 40 P C 0.242 177.447 177.300 -0.159 0.000 1.157 40 P CA 0.575 63.517 63.100 -0.263 0.000 0.799 40 P CB 0.243 31.585 31.700 -0.597 0.000 0.809 41 c N 2.492 120.996 118.600 -0.160 0.000 2.499 41 c HA 0.373 4.942 4.570 -0.000 0.000 0.386 41 c C 0.684 174.705 174.090 -0.114 0.000 1.293 41 c CA -0.579 55.701 56.329 -0.082 0.000 1.884 41 c CB -0.352 42.132 42.510 -0.043 0.000 2.509 41 c HN 0.260 nan 8.230 nan 0.000 0.566 42 Q N 1.701 121.422 119.800 -0.130 0.000 2.240 42 Q HA 0.358 4.698 4.340 -0.000 0.000 0.260 42 Q C 0.217 176.062 176.000 -0.257 0.000 1.018 42 Q CA -0.489 55.194 55.803 -0.199 0.000 0.898 42 Q CB 0.576 29.175 28.738 -0.233 0.000 1.301 42 Q HN 0.775 nan 8.270 nan 0.000 0.469 43 N N 1.301 119.815 118.700 -0.309 0.000 2.735 43 N HA -0.214 4.525 4.740 -0.000 0.000 0.248 43 N C -0.652 174.769 175.510 -0.148 0.000 1.083 43 N CA 0.820 53.668 53.050 -0.337 0.000 0.703 43 N CB -0.390 37.595 38.487 -0.837 0.000 1.005 43 N HN 0.638 nan 8.380 nan 0.000 0.550 44 R N -4.284 116.145 120.500 -0.118 0.000 3.919 44 R HA -0.114 4.226 4.340 -0.000 0.000 0.412 44 R C 0.812 177.098 176.300 -0.023 0.000 1.102 44 R CA 1.125 57.188 56.100 -0.063 0.000 1.082 44 R CB -2.385 27.897 30.300 -0.030 0.000 1.671 44 R HN 0.480 nan 8.270 nan 0.000 0.540 45 G N 1.061 109.840 108.800 -0.035 0.000 2.441 45 G HA2 0.306 4.266 3.960 -0.000 0.000 0.243 45 G HA3 0.306 4.266 3.960 -0.000 0.000 0.243 45 G C -0.187 174.719 174.900 0.010 0.000 1.281 45 G CA -0.288 44.815 45.100 0.005 0.000 0.854 45 G HN 0.175 nan 8.290 nan 0.000 0.560 46 E N 0.402 120.629 120.200 0.046 0.000 2.174 46 E HA 0.250 4.599 4.350 -0.000 0.000 0.282 46 E C -0.508 176.131 176.600 0.066 0.000 0.992 46 E CA -0.524 55.913 56.400 0.062 0.000 0.803 46 E CB 1.692 31.454 29.700 0.104 0.000 1.090 46 E HN 0.407 nan 8.360 nan 0.000 0.396 47 c N 5.019 123.642 118.600 0.039 0.000 2.388 47 c HA 0.566 5.135 4.570 -0.000 0.000 0.362 47 c C -0.262 173.893 174.090 0.108 0.000 1.266 47 c CA -0.358 56.005 56.329 0.057 0.000 2.028 47 c CB -0.498 41.986 42.510 -0.042 0.000 2.440 47 c HN 0.798 nan 8.230 nan 0.000 0.547 48 M N 5.644 125.336 119.600 0.153 0.000 2.326 48 M HA 0.399 4.878 4.480 -0.000 0.000 0.292 48 M C -0.027 176.366 176.300 0.156 0.000 1.081 48 M CA -0.089 55.298 55.300 0.145 0.000 0.919 48 M CB 2.028 34.689 32.600 0.102 0.000 1.634 48 M HN 0.799 nan 8.290 nan 0.000 0.451 49 S N 2.265 118.039 115.700 0.122 0.000 2.564 49 S HA 0.356 4.826 4.470 -0.000 0.000 0.278 49 S C 0.500 175.082 174.600 -0.029 0.000 1.333 49 S CA 0.181 58.397 58.200 0.026 0.000 1.048 49 S CB 0.616 63.714 63.200 -0.169 0.000 0.900 49 S HN 0.788 nan 8.310 nan 0.000 0.505 50 T N -1.262 113.267 114.554 -0.042 0.000 3.339 50 T HA 0.639 4.989 4.350 -0.000 0.000 0.292 50 T C 0.538 175.176 174.700 -0.104 0.000 1.012 50 T CA -0.057 62.004 62.100 -0.066 0.000 0.937 50 T CB -0.383 68.460 68.868 -0.042 0.000 1.164 50 T HN 1.572 nan 8.240 nan 0.000 0.509 51 G N 0.284 108.981 108.800 -0.172 0.000 2.359 51 G HA2 0.310 4.270 3.960 -0.000 0.000 0.293 51 G HA3 0.310 4.270 3.960 -0.000 0.000 0.293 51 G C -0.489 174.251 174.900 -0.267 0.000 1.300 51 G CA -0.729 44.240 45.100 -0.218 0.000 0.888 51 G HN -0.006 nan 8.290 nan 0.000 0.541 52 F N 0.203 120.115 119.950 -0.063 0.000 2.259 52 F HA 0.132 4.659 4.527 -0.001 0.000 0.298 52 F C 2.150 177.898 175.800 -0.087 0.000 1.088 52 F CA 1.741 59.693 58.000 -0.081 0.000 1.358 52 F CB 0.272 39.232 39.000 -0.066 0.000 1.040 52 F HN 0.316 nan 8.300 nan 0.000 0.505 53 D N -1.763 118.699 120.400 0.104 0.000 2.441 53 D HA 0.068 4.707 4.640 -0.000 0.000 0.210 53 D C 0.283 176.612 176.300 0.048 0.000 1.102 53 D CA 0.447 54.474 54.000 0.046 0.000 0.840 53 D CB 0.366 41.190 40.800 0.041 0.000 0.990 53 D HN 0.114 nan 8.370 nan 0.000 0.505 54 Q N -0.043 119.776 119.800 0.032 0.000 2.377 54 Q HA 0.533 4.873 4.340 -0.000 0.000 0.271 54 Q C -0.901 175.140 176.000 0.068 0.000 1.077 54 Q CA -1.017 54.791 55.803 0.007 0.000 0.820 54 Q CB 2.445 31.150 28.738 -0.054 0.000 1.347 54 Q HN 0.423 nan 8.270 nan 0.000 0.444 55 Y N -1.662 118.643 120.300 0.007 0.000 2.633 55 Y HA 0.872 5.422 4.550 -0.000 0.000 0.339 55 Y C -0.578 175.332 175.900 0.017 0.000 1.045 55 Y CA -1.302 56.809 58.100 0.018 0.000 1.098 55 Y CB 1.795 40.283 38.460 0.045 0.000 1.296 55 Y HN 0.538 nan 8.280 nan 0.000 0.494 56 K N 1.214 121.733 120.400 0.198 0.000 2.464 56 K HA 0.632 4.952 4.320 -0.000 0.000 0.253 56 K C -2.011 174.732 176.600 0.237 0.000 0.933 56 K CA -0.643 55.715 56.287 0.117 0.000 0.801 56 K CB 1.929 34.455 32.500 0.042 0.000 1.271 56 K HN 0.973 nan 8.250 nan 0.000 0.430 57 c N 2.165 120.890 118.600 0.209 0.000 2.307 57 c HA 0.300 4.870 4.570 -0.000 0.000 0.340 57 c C -0.181 173.976 174.090 0.112 0.000 1.275 57 c CA -0.744 55.685 56.329 0.167 0.000 1.811 57 c CB 0.396 43.006 42.510 0.166 0.000 2.372 57 c HN 0.660 nan 8.230 nan 0.000 0.531 58 D N 1.627 122.085 120.400 0.095 0.000 2.347 58 D HA 0.252 4.892 4.640 -0.000 0.000 0.235 58 D C 0.217 176.566 176.300 0.083 0.000 1.149 58 D CA -0.288 53.761 54.000 0.082 0.000 0.850 58 D CB 0.859 41.703 40.800 0.074 0.000 1.061 58 D HN 0.653 nan 8.370 nan 0.000 0.487 59 c N 2.696 121.353 118.600 0.095 0.000 2.855 59 c HA 0.151 4.721 4.570 -0.000 0.000 0.279 59 c C 0.715 174.871 174.090 0.111 0.000 1.270 59 c CA -0.336 56.062 56.329 0.116 0.000 1.702 59 c CB -1.331 41.275 42.510 0.160 0.000 1.949 59 c HN 0.559 nan 8.230 nan 0.000 0.618 60 T N 2.174 116.777 114.554 0.082 0.000 2.800 60 T HA -0.004 4.346 4.350 -0.000 0.000 0.283 60 T C 0.899 175.637 174.700 0.064 0.000 0.999 60 T CA 0.704 62.843 62.100 0.064 0.000 1.176 60 T CB -0.131 68.764 68.868 0.045 0.000 0.973 60 T HN 0.631 nan 8.240 nan 0.000 0.519 61 R N 0.047 120.584 120.500 0.062 0.000 3.875 61 R HA -0.224 4.116 4.340 -0.000 0.000 0.321 61 R C 1.611 177.957 176.300 0.076 0.000 1.196 61 R CA 1.167 57.298 56.100 0.052 0.000 0.868 61 R CB -2.494 27.824 30.300 0.030 0.000 1.333 61 R HN 0.931 nan 8.270 nan 0.000 0.522 62 T N -4.696 109.932 114.554 0.123 0.000 3.054 62 T HA 0.235 4.585 4.350 -0.000 0.000 0.259 62 T C 1.496 176.357 174.700 0.269 0.000 1.092 62 T CA 0.978 63.194 62.100 0.194 0.000 1.121 62 T CB 0.790 69.790 68.868 0.220 0.000 0.912 62 T HN 0.688 nan 8.240 nan 0.000 0.489 63 G N 0.623 109.517 108.800 0.157 0.000 2.175 63 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.244 63 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.244 63 G C -0.117 174.660 174.900 -0.205 0.000 0.982 63 G CA -0.085 45.001 45.100 -0.023 0.000 0.641 63 G HN 0.571 nan 8.290 nan 0.000 0.527 64 F N -0.366 119.634 119.950 0.083 0.000 2.593 64 F HA 0.780 5.306 4.527 -0.001 0.000 0.320 64 F C 0.321 176.210 175.800 0.147 0.000 1.060 64 F CA -1.089 56.945 58.000 0.056 0.000 0.940 64 F CB 1.610 40.600 39.000 -0.016 0.000 1.268 64 F HN 0.248 nan 8.300 nan 0.000 0.475 65 Y N -0.690 119.735 120.300 0.208 0.000 2.805 65 Y HA 0.948 5.498 4.550 -0.000 0.000 0.323 65 Y C -0.001 175.974 175.900 0.125 0.000 1.279 65 Y CA -1.638 56.540 58.100 0.131 0.000 1.103 65 Y CB 1.167 39.673 38.460 0.076 0.000 1.324 65 Y HN 1.008 nan 8.280 nan 0.000 0.498 66 G N 0.251 109.190 108.800 0.232 0.000 2.663 66 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.686 66 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.686 66 G C 0.174 175.131 174.900 0.095 0.000 1.288 66 G CA -0.101 45.065 45.100 0.109 0.000 0.836 66 G HN 1.086 nan 8.290 nan 0.000 0.584 67 E N -0.248 119.996 120.200 0.072 0.000 2.136 67 E HA -0.221 4.128 4.350 -0.000 0.000 0.202 67 E C 1.400 178.071 176.600 0.119 0.000 1.019 67 E CA 1.771 58.212 56.400 0.069 0.000 0.819 67 E CB -0.062 29.663 29.700 0.042 0.000 0.739 67 E HN 0.423 nan 8.360 nan 0.000 0.458 68 N N -1.003 117.754 118.700 0.094 0.000 2.282 68 N HA 0.088 4.828 4.740 -0.000 0.000 0.240 68 N C -0.673 174.845 175.510 0.014 0.000 1.182 68 N CA 0.315 53.416 53.050 0.085 0.000 0.874 68 N CB 0.536 39.060 38.487 0.062 0.000 1.126 68 N HN 0.112 nan 8.380 nan 0.000 0.516 69 c N 0.980 119.602 118.600 0.037 0.000 3.896 69 c HA -0.111 4.459 4.570 -0.000 0.000 0.300 69 c C 1.647 175.691 174.090 -0.077 0.000 1.322 69 c CA 1.050 57.400 56.329 0.035 0.000 2.130 69 c CB -3.110 39.418 42.510 0.030 0.000 1.363 69 c HN 0.592 nan 8.230 nan 0.000 0.642 70 T N -4.768 109.768 114.554 -0.030 0.000 3.003 70 T HA 0.169 4.519 4.350 -0.000 0.000 0.261 70 T C 0.263 175.035 174.700 0.119 0.000 1.003 70 T CA 0.441 62.522 62.100 -0.033 0.000 0.917 70 T CB 0.239 69.070 68.868 -0.062 0.000 1.084 70 T HN 0.551 nan 8.240 nan 0.000 0.522 71 T N 5.770 120.302 114.554 -0.036 0.000 2.723 71 T HA 0.409 4.758 4.350 -0.000 0.000 0.297 71 T C -2.679 171.837 174.700 -0.306 0.000 0.925 71 T CA -1.204 60.728 62.100 -0.279 0.000 1.030 71 T CB 1.109 69.541 68.868 -0.727 0.000 0.905 71 T HN 0.210 nan 8.240 nan 0.000 0.502 72 P HA 0.305 nan 4.420 nan 0.000 0.278 72 P C -0.040 177.160 177.300 -0.165 0.000 1.238 72 P CA -0.520 62.317 63.100 -0.439 0.000 0.794 72 P CB 1.096 32.569 31.700 -0.378 0.000 0.955 73 E N 0.387 120.503 120.200 -0.140 0.000 2.369 73 E HA 0.075 4.425 4.350 -0.000 0.000 0.255 73 E C 0.765 177.397 176.600 0.053 0.000 1.172 73 E CA -0.366 56.081 56.400 0.079 0.000 0.932 73 E CB 0.091 29.823 29.700 0.052 0.000 1.040 73 E HN 0.349 nan 8.360 nan 0.000 0.454 74 F N 1.898 121.835 119.950 -0.021 0.000 2.069 74 F HA -0.226 4.301 4.527 -0.001 0.000 0.298 74 F C 2.079 177.849 175.800 -0.050 0.000 1.113 74 F CA 2.120 60.102 58.000 -0.030 0.000 1.214 74 F CB -0.816 38.174 39.000 -0.016 0.000 0.978 74 F HN 0.446 nan 8.300 nan 0.000 0.474 75 L N -0.680 120.448 121.223 -0.159 0.000 2.042 75 L HA -0.211 4.128 4.340 -0.000 0.000 0.210 75 L C 2.367 179.090 176.870 -0.245 0.000 1.076 75 L CA 2.794 57.484 54.840 -0.251 0.000 0.749 75 L CB -2.143 39.853 42.059 -0.105 0.000 0.893 75 L HN 0.392 nan 8.230 nan 0.000 0.432 76 T N -1.315 113.111 114.554 -0.212 0.000 2.720 76 T HA -0.211 4.138 4.350 -0.000 0.000 0.268 76 T C 2.195 176.761 174.700 -0.223 0.000 1.037 76 T CA 1.555 63.504 62.100 -0.250 0.000 1.144 76 T CB -0.352 68.249 68.868 -0.444 0.000 0.864 76 T HN 0.627 nan 8.240 nan 0.000 0.444 77 R N 0.284 120.652 120.500 -0.219 0.000 2.091 77 R HA -0.087 4.253 4.340 -0.000 0.000 0.238 77 R C 2.612 178.800 176.300 -0.187 0.000 1.136 77 R CA 1.475 57.477 56.100 -0.163 0.000 0.959 77 R CB -0.784 29.453 30.300 -0.103 0.000 0.856 77 R HN 0.317 nan 8.270 nan 0.000 0.437 78 I N 0.910 121.296 120.570 -0.306 0.000 2.202 78 I HA -0.201 3.969 4.170 -0.000 0.000 0.242 78 I C 2.217 178.238 176.117 -0.159 0.000 1.091 78 I CA 1.372 62.512 61.300 -0.267 0.000 1.368 78 I CB -0.763 37.009 38.000 -0.379 0.000 1.058 78 I HN 0.287 nan 8.210 nan 0.000 0.410 79 K N 0.426 120.737 120.400 -0.148 0.000 2.063 79 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 79 K C 2.113 178.686 176.600 -0.045 0.000 1.048 79 K CA 1.423 57.659 56.287 -0.086 0.000 0.928 79 K CB -0.376 32.076 32.500 -0.079 0.000 0.713 79 K HN 0.397 nan 8.250 nan 0.000 0.442 80 L N 0.463 121.659 121.223 -0.045 0.000 2.217 80 L HA -0.135 4.204 4.340 -0.000 0.000 0.211 80 L C 2.315 179.180 176.870 -0.010 0.000 1.107 80 L CA 0.361 55.198 54.840 -0.004 0.000 0.783 80 L CB -0.303 41.767 42.059 0.018 0.000 0.919 80 L HN 0.038 nan 8.230 nan 0.000 0.442 81 L N -0.833 120.370 121.223 -0.034 0.000 2.156 81 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 81 L C 1.853 178.708 176.870 -0.025 0.000 1.095 81 L CA 0.955 55.777 54.840 -0.030 0.000 0.770 81 L CB -0.680 41.352 42.059 -0.044 0.000 0.914 81 L HN 0.332 nan 8.230 nan 0.000 0.439 82 L N -1.378 119.827 121.223 -0.031 0.000 2.728 82 L HA 0.241 4.580 4.340 -0.000 0.000 0.238 82 L C 0.957 177.820 176.870 -0.010 0.000 1.143 82 L CA 0.552 55.376 54.840 -0.027 0.000 0.937 82 L CB -0.092 41.941 42.059 -0.042 0.000 1.225 82 L HN 0.083 nan 8.230 nan 0.000 0.507 83 K N 2.403 122.807 120.400 0.006 0.000 2.262 83 K HA 0.324 4.644 4.320 -0.000 0.000 0.282 83 K C -2.126 174.496 176.600 0.037 0.000 1.066 83 K CA -1.628 54.678 56.287 0.032 0.000 0.901 83 K CB 0.876 33.406 32.500 0.050 0.000 1.089 83 K HN -0.104 nan 8.250 nan 0.000 0.476 84 P HA 0.013 nan 4.420 nan 0.000 0.272 84 P C -0.488 176.850 177.300 0.063 0.000 1.223 84 P CA -0.355 62.773 63.100 0.047 0.000 0.784 84 P CB 0.753 32.486 31.700 0.054 0.000 0.923 85 T N -1.100 113.487 114.554 0.055 0.000 2.899 85 T HA 0.186 4.535 4.350 -0.000 0.000 0.295 85 T C -1.752 172.999 174.700 0.084 0.000 1.033 85 T CA -1.431 60.703 62.100 0.057 0.000 1.084 85 T CB 0.189 69.080 68.868 0.038 0.000 0.979 85 T HN 0.146 nan 8.240 nan 0.000 0.532 86 P HA -0.116 nan 4.420 nan 0.000 0.217 86 P C 1.263 178.649 177.300 0.143 0.000 1.148 86 P CA 0.973 64.138 63.100 0.109 0.000 0.834 86 P CB -0.016 31.731 31.700 0.078 0.000 0.783 87 N N -1.537 117.232 118.700 0.115 0.000 2.142 87 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 87 N C 1.845 177.486 175.510 0.218 0.000 1.023 87 N CA 1.956 55.095 53.050 0.148 0.000 0.852 87 N CB -1.400 37.143 38.487 0.094 0.000 0.998 87 N HN 0.217 nan 8.380 nan 0.000 0.424 88 T N -0.401 114.246 114.554 0.156 0.000 2.821 88 T HA -0.044 4.306 4.350 -0.000 0.000 0.267 88 T C 1.923 176.759 174.700 0.227 0.000 1.046 88 T CA 1.138 63.333 62.100 0.158 0.000 1.139 88 T CB -0.455 68.454 68.868 0.069 0.000 0.871 88 T HN -0.062 nan 8.240 nan 0.000 0.454 89 V N 1.095 121.125 119.914 0.194 0.000 2.427 89 V HA -0.090 4.030 4.120 -0.000 0.000 0.248 89 V C 2.449 178.656 176.094 0.187 0.000 1.051 89 V CA 2.314 64.720 62.300 0.176 0.000 1.048 89 V CB -1.023 30.884 31.823 0.141 0.000 0.666 89 V HN 0.724 nan 8.190 nan 0.000 0.456 90 H N -0.843 118.321 119.070 0.156 0.000 2.353 90 H HA -0.251 4.304 4.556 -0.000 0.000 0.300 90 H C 2.145 177.613 175.328 0.232 0.000 1.090 90 H CA 2.303 58.457 56.048 0.176 0.000 1.327 90 H CB -0.328 29.553 29.762 0.199 0.000 1.383 90 H HN 0.500 nan 8.280 nan 0.000 0.508 91 Y N 0.482 120.915 120.300 0.222 0.000 2.097 91 Y HA -0.229 4.320 4.550 -0.000 0.000 0.282 91 Y C 2.277 178.369 175.900 0.320 0.000 1.152 91 Y CA 2.134 60.373 58.100 0.231 0.000 1.136 91 Y CB -0.322 38.213 38.460 0.126 0.000 0.975 91 Y HN 0.237 nan 8.280 nan 0.000 0.498 92 I N -0.170 120.728 120.570 0.547 0.000 2.208 92 I HA -0.354 3.815 4.170 -0.000 0.000 0.245 92 I C 2.219 178.713 176.117 0.628 0.000 1.097 92 I CA 1.479 63.163 61.300 0.641 0.000 1.363 92 I CB -0.466 37.793 38.000 0.431 0.000 1.051 92 I HN 0.258 nan 8.210 nan 0.000 0.413 93 L N 0.102 121.439 121.223 0.191 0.000 2.217 93 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 93 L C 2.378 179.099 176.870 -0.247 0.000 1.107 93 L CA 1.596 56.283 54.840 -0.255 0.000 0.783 93 L CB -0.587 40.941 42.059 -0.885 0.000 0.919 93 L HN 0.432 nan 8.230 nan 0.000 0.442 94 T N -5.239 109.210 114.554 -0.174 0.000 3.069 94 T HA 0.139 4.488 4.350 -0.000 0.000 0.252 94 T C 0.470 174.958 174.700 -0.353 0.000 1.053 94 T CA -0.168 61.690 62.100 -0.404 0.000 0.964 94 T CB -0.088 68.470 68.868 -0.516 0.000 1.005 94 T HN 0.188 nan 8.240 nan 0.000 0.532 95 H N -0.572 118.493 119.070 -0.009 0.000 2.896 95 H HA 0.606 5.161 4.556 -0.000 0.000 0.318 95 H C -0.474 175.017 175.328 0.271 0.000 1.409 95 H CA -1.750 54.223 56.048 -0.125 0.000 1.328 95 H CB 0.350 29.603 29.762 -0.848 0.000 1.940 95 H HN 0.050 nan 8.280 nan 0.000 0.665 96 F N -0.777 119.356 119.950 0.305 0.000 3.039 96 F HA -0.275 4.252 4.527 -0.000 0.000 0.287 96 F C 1.610 177.500 175.800 0.150 0.000 0.956 96 F CA 0.580 58.674 58.000 0.158 0.000 0.971 96 F CB -1.150 37.881 39.000 0.052 0.000 0.943 96 F HN 0.526 nan 8.300 nan 0.000 0.766 97 K N 1.021 121.465 120.400 0.072 0.000 2.113 97 K HA -0.161 4.158 4.320 -0.000 0.000 0.208 97 K C 2.267 178.873 176.600 0.011 0.000 1.047 97 K CA 1.708 57.866 56.287 -0.215 0.000 0.928 97 K CB -0.516 31.597 32.500 -0.645 0.000 0.716 97 K HN 0.587 nan 8.250 nan 0.000 0.446 98 G N 0.202 109.018 108.800 0.026 0.000 2.402 98 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.216 98 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.216 98 G C 1.459 176.388 174.900 0.048 0.000 1.162 98 G CA 0.803 45.925 45.100 0.036 0.000 0.777 98 G HN 0.189 nan 8.290 nan 0.000 0.539 99 V N -0.235 119.696 119.914 0.028 0.000 2.261 99 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 99 V C 2.435 178.486 176.094 -0.071 0.000 1.047 99 V CA 1.796 64.038 62.300 -0.097 0.000 1.015 99 V CB -0.809 30.856 31.823 -0.263 0.000 0.642 99 V HN 0.596 nan 8.190 nan 0.000 0.446 100 W N 0.267 121.644 121.300 0.129 0.000 2.364 100 W HA -0.136 4.524 4.660 -0.000 0.000 0.281 100 W C 2.469 179.071 176.519 0.138 0.000 1.219 100 W CA 0.888 58.335 57.345 0.171 0.000 1.220 100 W CB -0.570 29.040 29.460 0.250 0.000 1.127 100 W HN 0.263 nan 8.180 nan 0.000 0.556 101 N N 0.498 119.362 118.700 0.274 0.000 2.166 101 N HA -0.150 4.589 4.740 -0.000 0.000 0.186 101 N C 1.506 177.100 175.510 0.140 0.000 1.019 101 N CA 1.551 54.705 53.050 0.172 0.000 0.856 101 N CB -0.686 37.861 38.487 0.099 0.000 0.993 101 N HN 0.184 nan 8.380 nan 0.000 0.426 102 I N 0.032 120.668 120.570 0.109 0.000 2.163 102 I HA -0.197 3.973 4.170 -0.000 0.000 0.240 102 I C 2.026 178.215 176.117 0.120 0.000 1.081 102 I CA 0.691 62.040 61.300 0.082 0.000 1.353 102 I CB -0.425 37.595 38.000 0.033 0.000 1.054 102 I HN -0.104 nan 8.210 nan 0.000 0.407 103 V N 0.965 120.971 119.914 0.152 0.000 2.324 103 V HA -0.281 3.839 4.120 -0.000 0.000 0.250 103 V C 1.337 177.614 176.094 0.306 0.000 1.060 103 V CA 1.712 64.151 62.300 0.231 0.000 1.042 103 V CB -0.997 31.009 31.823 0.304 0.000 0.650 103 V HN 0.466 nan 8.190 nan 0.000 0.450 104 N N 1.248 120.140 118.700 0.320 0.000 2.678 104 N HA 0.009 4.748 4.740 -0.000 0.000 0.223 104 N C 0.135 175.731 175.510 0.143 0.000 1.455 104 N CA 0.204 53.387 53.050 0.221 0.000 0.907 104 N CB -0.908 37.680 38.487 0.168 0.000 1.239 104 N HN 0.293 nan 8.380 nan 0.000 0.497 105 I N 0.215 120.865 120.570 0.133 0.000 2.820 105 I HA -0.253 3.917 4.170 -0.000 0.000 0.126 105 I C -1.095 175.125 176.117 0.172 0.000 0.892 105 I CA -0.196 61.191 61.300 0.145 0.000 2.783 105 I CB -0.871 37.220 38.000 0.152 0.000 0.637 105 I HN 0.054 nan 8.210 nan 0.000 0.351 106 P HA -0.257 nan 4.420 nan 0.000 0.217 106 P C 1.804 179.203 177.300 0.165 0.000 1.158 106 P CA 1.656 64.840 63.100 0.140 0.000 0.887 106 P CB 0.012 31.786 31.700 0.124 0.000 0.792 107 F N -0.429 119.559 119.950 0.064 0.000 2.095 107 F HA -0.179 4.347 4.527 -0.000 0.000 0.298 107 F C 2.092 177.934 175.800 0.070 0.000 1.104 107 F CA 1.475 59.509 58.000 0.057 0.000 1.232 107 F CB -0.831 38.194 39.000 0.042 0.000 0.987 107 F HN -0.226 nan 8.300 nan 0.000 0.475 108 L N -0.083 121.236 121.223 0.159 0.000 2.072 108 L HA -0.148 4.191 4.340 -0.000 0.000 0.205 108 L C 2.739 179.654 176.870 0.075 0.000 1.079 108 L CA 1.395 56.276 54.840 0.068 0.000 0.752 108 L CB -0.530 41.638 42.059 0.181 0.000 0.906 108 L HN 0.094 nan 8.230 nan 0.000 0.436 109 R N -0.437 120.179 120.500 0.193 0.000 2.096 109 R HA -0.189 4.151 4.340 -0.000 0.000 0.240 109 R C 2.345 178.779 176.300 0.225 0.000 1.139 109 R CA 2.016 58.322 56.100 0.344 0.000 0.952 109 R CB -0.157 30.296 30.300 0.255 0.000 0.854 109 R HN 0.218 nan 8.270 nan 0.000 0.436 110 S N 0.815 116.544 115.700 0.049 0.000 2.368 110 S HA -0.157 4.313 4.470 -0.000 0.000 0.225 110 S C 1.790 176.331 174.600 -0.099 0.000 1.030 110 S CA 1.327 59.506 58.200 -0.036 0.000 0.999 110 S CB -0.280 62.864 63.200 -0.093 0.000 0.844 110 S HN 0.391 nan 8.310 nan 0.000 0.459 111 L N 1.187 122.280 121.223 -0.217 0.000 2.056 111 L HA -0.076 4.263 4.340 -0.000 0.000 0.207 111 L C 1.887 178.699 176.870 -0.098 0.000 1.078 111 L CA 1.203 55.905 54.840 -0.230 0.000 0.749 111 L CB -0.235 41.597 42.059 -0.378 0.000 0.901 111 L HN 0.229 nan 8.230 nan 0.000 0.433 112 I N -0.753 119.769 120.570 -0.079 0.000 2.163 112 I HA -0.273 3.897 4.170 -0.000 0.000 0.240 112 I C 2.533 178.618 176.117 -0.053 0.000 1.081 112 I CA 1.387 62.598 61.300 -0.148 0.000 1.353 112 I CB -1.021 36.685 38.000 -0.490 0.000 1.054 112 I HN 0.410 nan 8.210 nan 0.000 0.407 113 M N 1.221 120.894 119.600 0.122 0.000 2.149 113 M HA -0.214 4.265 4.480 -0.000 0.000 0.261 113 M C 2.198 178.494 176.300 -0.007 0.000 1.064 113 M CA 1.774 57.171 55.300 0.162 0.000 1.102 113 M CB -0.646 32.087 32.600 0.222 0.000 1.369 113 M HN 0.056 nan 8.290 nan 0.000 0.408 114 K N -1.602 118.785 120.400 -0.022 0.000 2.103 114 K HA -0.241 4.079 4.320 -0.000 0.000 0.207 114 K C 2.091 178.674 176.600 -0.027 0.000 1.048 114 K CA 1.724 57.977 56.287 -0.056 0.000 0.930 114 K CB -0.421 32.048 32.500 -0.052 0.000 0.716 114 K HN 0.483 nan 8.250 nan 0.000 0.444 115 Y N 0.620 120.859 120.300 -0.100 0.000 2.337 115 Y HA -0.110 4.440 4.550 -0.000 0.000 0.293 115 Y C 1.757 177.611 175.900 -0.078 0.000 1.123 115 Y CA 0.690 58.743 58.100 -0.077 0.000 1.201 115 Y CB 0.076 38.491 38.460 -0.074 0.000 1.011 115 Y HN -0.188 nan 8.280 nan 0.000 0.545 116 V N 0.401 120.249 119.914 -0.110 0.000 2.407 116 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 116 V C 2.321 178.197 176.094 -0.363 0.000 1.055 116 V CA 2.055 64.234 62.300 -0.202 0.000 1.049 116 V CB -0.653 31.100 31.823 -0.116 0.000 0.662 116 V HN 0.426 nan 8.190 nan 0.000 0.455 117 L N 0.078 121.076 121.223 -0.375 0.000 2.044 117 L HA -0.124 4.215 4.340 -0.000 0.000 0.205 117 L C 2.791 179.543 176.870 -0.198 0.000 1.075 117 L CA 2.011 56.618 54.840 -0.389 0.000 0.747 117 L CB -1.028 40.817 42.059 -0.357 0.000 0.903 117 L HN 0.554 nan 8.230 nan 0.000 0.435 118 T N -3.091 111.358 114.554 -0.175 0.000 2.770 118 T HA -0.148 4.202 4.350 -0.000 0.000 0.263 118 T C 2.061 176.747 174.700 -0.023 0.000 1.039 118 T CA 1.162 63.224 62.100 -0.063 0.000 1.142 118 T CB -0.681 68.157 68.868 -0.050 0.000 0.868 118 T HN 0.392 nan 8.240 nan 0.000 0.435 119 S N 1.879 117.444 115.700 -0.225 0.000 2.419 119 S HA -0.066 4.404 4.470 -0.000 0.000 0.233 119 S C 2.213 176.804 174.600 -0.017 0.000 1.016 119 S CA 0.411 58.542 58.200 -0.116 0.000 0.974 119 S CB -0.509 62.331 63.200 -0.601 0.000 0.786 119 S HN 0.490 nan 8.310 nan 0.000 0.492 120 R N 0.838 121.293 120.500 -0.075 0.000 2.080 120 R HA 0.195 4.534 4.340 -0.000 0.000 0.222 120 R C 2.554 178.826 176.300 -0.046 0.000 1.107 120 R CA 1.137 57.215 56.100 -0.037 0.000 0.980 120 R CB -0.592 29.770 30.300 0.103 0.000 0.879 120 R HN 0.419 nan 8.270 nan 0.000 0.439 121 S N 1.046 116.777 115.700 0.051 0.000 2.402 121 S HA -0.165 4.305 4.470 -0.000 0.000 0.229 121 S C 1.688 176.303 174.600 0.026 0.000 1.021 121 S CA 1.212 59.477 58.200 0.108 0.000 0.974 121 S CB -0.293 63.103 63.200 0.328 0.000 0.800 121 S HN 0.530 nan 8.310 nan 0.000 0.484 122 Y N 1.062 121.356 120.300 -0.010 0.000 2.574 122 Y HA 0.157 4.707 4.550 -0.001 0.000 0.294 122 Y C 1.437 177.288 175.900 -0.081 0.000 1.142 122 Y CA 0.554 58.627 58.100 -0.044 0.000 1.314 122 Y CB -0.537 37.900 38.460 -0.038 0.000 0.991 122 Y HN 0.114 nan 8.280 nan 0.000 0.555 123 L N 0.799 121.635 121.223 -0.646 0.000 2.478 123 L HA 0.019 4.358 4.340 -0.000 0.000 0.223 123 L C 0.068 176.701 176.870 -0.395 0.000 1.140 123 L CA 0.020 54.491 54.840 -0.615 0.000 0.842 123 L CB -0.101 41.614 42.059 -0.574 0.000 0.953 123 L HN 0.211 nan 8.230 nan 0.000 0.452 124 I N -0.196 120.236 120.570 -0.231 0.000 2.359 124 I HA 0.177 4.347 4.170 -0.000 0.000 0.294 124 I C -0.294 175.763 176.117 -0.099 0.000 0.987 124 I CA -0.823 60.392 61.300 -0.141 0.000 1.225 124 I CB 1.091 39.048 38.000 -0.072 0.000 1.366 124 I HN -0.150 nan 8.210 nan 0.000 0.466 125 D N 4.110 124.464 120.400 -0.077 0.000 2.401 125 D HA 0.200 4.839 4.640 -0.000 0.000 0.254 125 D C 0.051 176.303 176.300 -0.080 0.000 1.192 125 D CA 0.606 54.559 54.000 -0.079 0.000 0.885 125 D CB 0.757 41.502 40.800 -0.091 0.000 1.147 125 D HN 0.400 nan 8.370 nan 0.000 0.478 126 S N 2.491 118.133 115.700 -0.096 0.000 2.706 126 S HA 0.372 4.842 4.470 -0.000 0.000 0.270 126 S C -2.710 171.829 174.600 -0.101 0.000 1.163 126 S CA -1.262 56.874 58.200 -0.107 0.000 1.042 126 S CB 0.741 63.845 63.200 -0.161 0.000 1.079 126 S HN 0.044 nan 8.310 nan 0.000 0.474 127 P HA 0.210 nan 4.420 nan 0.000 0.266 127 P C -2.499 174.775 177.300 -0.043 0.000 1.193 127 P CA -0.686 62.406 63.100 -0.014 0.000 0.770 127 P CB -0.081 31.621 31.700 0.003 0.000 0.836 128 P HA 0.020 nan 4.420 nan 0.000 0.272 128 P C 0.142 177.360 177.300 -0.136 0.000 1.230 128 P CA -0.024 63.020 63.100 -0.092 0.000 0.788 128 P CB 0.785 32.410 31.700 -0.125 0.000 0.949 129 T N -1.011 113.405 114.554 -0.229 0.000 3.422 129 T HA 0.180 4.530 4.350 -0.000 0.000 0.192 129 T C 0.526 174.977 174.700 -0.416 0.000 0.857 129 T CA 0.184 62.017 62.100 -0.444 0.000 1.400 129 T CB -0.877 67.505 68.868 -0.809 0.000 1.864 129 T HN 0.223 nan 8.240 nan 0.000 0.415 130 Y N 3.759 124.014 120.300 -0.075 0.000 2.298 130 Y HA 0.581 5.130 4.550 -0.001 0.000 0.329 130 Y C 0.856 176.689 175.900 -0.112 0.000 1.293 130 Y CA -0.790 57.255 58.100 -0.091 0.000 1.388 130 Y CB 0.308 38.729 38.460 -0.065 0.000 1.309 130 Y HN 0.760 nan 8.280 nan 0.000 0.544 131 N N -2.496 116.231 118.700 0.045 0.000 3.278 131 N HA 0.205 4.945 4.740 -0.000 0.000 0.307 131 N C -0.179 175.311 175.510 -0.033 0.000 1.551 131 N CA -0.713 52.307 53.050 -0.051 0.000 0.794 131 N CB 0.489 38.817 38.487 -0.266 0.000 1.770 131 N HN 0.396 nan 8.380 nan 0.000 0.612 132 V N -0.238 119.644 119.914 -0.054 0.000 2.568 132 V HA -0.189 3.930 4.120 -0.000 0.000 0.253 132 V C 1.164 177.270 176.094 0.020 0.000 1.072 132 V CA 1.932 64.217 62.300 -0.025 0.000 1.084 132 V CB -0.963 30.823 31.823 -0.062 0.000 0.676 132 V HN 0.698 nan 8.190 nan 0.000 0.469 133 H N -2.945 116.096 119.070 -0.049 0.000 2.575 133 H HA 0.212 4.767 4.556 -0.000 0.000 0.267 133 H C -0.551 174.384 175.328 -0.654 0.000 0.966 133 H CA -0.018 55.878 56.048 -0.253 0.000 1.165 133 H CB 0.377 30.029 29.762 -0.182 0.000 1.433 133 H HN 0.478 nan 8.280 nan 0.000 0.544 134 Y N -0.309 119.922 120.300 -0.115 0.000 2.373 134 Y HA 0.264 4.813 4.550 -0.001 0.000 0.327 134 Y C 0.858 176.643 175.900 -0.192 0.000 1.036 134 Y CA -0.801 57.105 58.100 -0.322 0.000 1.265 134 Y CB 1.724 39.912 38.460 -0.454 0.000 1.108 134 Y HN 0.070 nan 8.280 nan 0.000 0.471 135 G N 1.977 110.737 108.800 -0.067 0.000 2.985 135 G HA2 0.032 3.992 3.960 -0.000 0.000 0.209 135 G HA3 0.032 3.992 3.960 -0.000 0.000 0.209 135 G C -0.171 174.804 174.900 0.124 0.000 1.165 135 G CA 0.311 45.375 45.100 -0.060 0.000 0.776 135 G HN 0.569 nan 8.290 nan 0.000 0.541 136 Y N -1.952 118.534 120.300 0.310 0.000 2.602 136 Y HA 0.750 5.300 4.550 -0.000 0.000 0.342 136 Y C -0.016 176.074 175.900 0.317 0.000 1.029 136 Y CA -2.166 56.140 58.100 0.344 0.000 1.080 136 Y CB 1.183 39.777 38.460 0.223 0.000 1.284 136 Y HN -0.266 nan 8.280 nan 0.000 0.485 137 K N 1.742 122.328 120.400 0.309 0.000 2.326 137 K HA 0.523 4.843 4.320 -0.000 0.000 0.275 137 K C -0.552 176.123 176.600 0.124 0.000 1.018 137 K CA 0.093 56.411 56.287 0.052 0.000 0.962 137 K CB 0.768 33.256 32.500 -0.021 0.000 0.953 137 K HN 0.914 nan 8.250 nan 0.000 0.475 138 S N 1.089 116.758 115.700 -0.052 0.000 2.565 138 S HA 0.162 4.632 4.470 -0.000 0.000 0.269 138 S C -0.035 174.533 174.600 -0.054 0.000 1.153 138 S CA -1.104 57.077 58.200 -0.033 0.000 0.835 138 S CB 0.468 63.517 63.200 -0.252 0.000 1.122 138 S HN 0.890 nan 8.310 nan 0.000 0.462 139 W N 1.304 122.550 121.300 -0.090 0.000 2.402 139 W HA -0.071 4.589 4.660 0.000 0.000 0.286 139 W C 1.603 178.093 176.519 -0.048 0.000 1.221 139 W CA 2.231 59.570 57.345 -0.010 0.000 1.257 139 W CB -0.127 29.342 29.460 0.015 0.000 1.120 139 W HN 1.054 nan 8.180 nan 0.000 0.551 140 E N 0.896 121.031 120.200 -0.108 0.000 2.051 140 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 140 E C 2.242 178.591 176.600 -0.418 0.000 0.991 140 E CA 2.492 58.753 56.400 -0.232 0.000 0.799 140 E CB -0.776 28.746 29.700 -0.298 0.000 0.748 140 E HN 0.081 nan 8.360 nan 0.000 0.449 141 A N 0.163 122.592 122.820 -0.653 0.000 1.865 141 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 141 A C 2.292 179.637 177.584 -0.399 0.000 1.191 141 A CA 1.746 53.454 52.037 -0.549 0.000 0.623 141 A CB -1.191 17.518 19.000 -0.485 0.000 0.826 141 A HN 0.507 nan 8.150 nan 0.000 0.444 142 F N 2.019 121.661 119.950 -0.514 0.000 2.069 142 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 142 F C 2.619 178.084 175.800 -0.557 0.000 1.113 142 F CA 2.389 60.053 58.000 -0.561 0.000 1.214 142 F CB -0.404 38.156 39.000 -0.733 0.000 0.978 142 F HN 0.288 nan 8.300 nan 0.000 0.474 143 S N -0.814 114.356 115.700 -0.884 0.000 2.501 143 S HA 0.007 4.477 4.470 -0.000 0.000 0.220 143 S C 0.861 175.218 174.600 -0.404 0.000 0.997 143 S CA 0.016 57.732 58.200 -0.806 0.000 0.919 143 S CB -0.710 62.190 63.200 -0.500 0.000 0.778 143 S HN 0.389 nan 8.310 nan 0.000 0.523 144 N N 2.003 120.555 118.700 -0.247 0.000 2.439 144 N HA 0.262 5.002 4.740 -0.000 0.000 0.243 144 N C 0.525 176.042 175.510 0.011 0.000 1.088 144 N CA -0.208 52.838 53.050 -0.007 0.000 0.940 144 N CB 0.401 39.032 38.487 0.238 0.000 1.180 144 N HN 0.368 nan 8.380 nan 0.000 0.505 145 L N 1.495 122.702 121.223 -0.027 0.000 2.456 145 L HA -0.056 4.284 4.340 -0.000 0.000 0.224 145 L C 1.822 178.786 176.870 0.156 0.000 1.148 145 L CA 0.424 55.293 54.840 0.049 0.000 0.825 145 L CB -0.113 41.971 42.059 0.042 0.000 0.937 145 L HN 0.400 nan 8.230 nan 0.000 0.450 146 S N -1.636 114.114 115.700 0.083 0.000 2.453 146 S HA -0.028 4.442 4.470 -0.000 0.000 0.231 146 S C 0.415 174.975 174.600 -0.067 0.000 1.005 146 S CA 0.421 58.633 58.200 0.019 0.000 0.949 146 S CB -0.159 63.070 63.200 0.047 0.000 0.774 146 S HN 0.230 nan 8.310 nan 0.000 0.510 147 Y N 0.517 120.748 120.300 -0.114 0.000 2.309 147 Y HA 0.298 4.847 4.550 -0.001 0.000 0.327 147 Y C 0.167 175.961 175.900 -0.176 0.000 1.172 147 Y CA -0.966 56.931 58.100 -0.339 0.000 1.280 147 Y CB 0.264 38.527 38.460 -0.329 0.000 1.234 147 Y HN 0.058 nan 8.280 nan 0.000 0.512 148 Y N 0.980 121.306 120.300 0.043 0.000 2.411 148 Y HA 0.074 4.624 4.550 -0.000 0.000 0.333 148 Y C 1.034 176.951 175.900 0.029 0.000 1.186 148 Y CA -0.051 58.100 58.100 0.084 0.000 1.381 148 Y CB 0.529 39.012 38.460 0.039 0.000 1.273 148 Y HN 0.548 nan 8.280 nan 0.000 0.546 149 T N 3.370 118.032 114.554 0.181 0.000 2.788 149 T HA 0.423 4.772 4.350 -0.000 0.000 0.280 149 T C -0.324 174.428 174.700 0.085 0.000 0.984 149 T CA -0.704 61.432 62.100 0.061 0.000 0.972 149 T CB 0.326 69.190 68.868 -0.006 0.000 1.039 149 T HN 0.441 nan 8.240 nan 0.000 0.530 150 R N 1.165 121.719 120.500 0.089 0.000 2.532 150 R HA 0.530 4.870 4.340 -0.000 0.000 0.297 150 R C 0.640 177.060 176.300 0.201 0.000 0.984 150 R CA -0.469 55.700 56.100 0.115 0.000 0.884 150 R CB 1.417 31.768 30.300 0.085 0.000 1.182 150 R HN 0.721 nan 8.270 nan 0.000 0.442 151 A N 2.840 125.817 122.820 0.262 0.000 2.015 151 A HA -0.012 4.308 4.320 -0.000 0.000 0.219 151 A C 0.458 178.150 177.584 0.179 0.000 1.163 151 A CA 1.174 53.399 52.037 0.314 0.000 0.646 151 A CB 0.170 19.537 19.000 0.611 0.000 0.806 151 A HN 0.346 nan 8.150 nan 0.000 0.448 152 L N -0.107 121.176 121.223 0.099 0.000 2.431 152 L HA 0.489 4.829 4.340 -0.000 0.000 0.266 152 L C -2.636 174.113 176.870 -0.201 0.000 0.978 152 L CA -2.404 52.341 54.840 -0.159 0.000 0.822 152 L CB 2.353 44.096 42.059 -0.528 0.000 1.310 152 L HN -0.102 nan 8.230 nan 0.000 0.409 153 P HA 0.231 nan 4.420 nan 0.000 0.271 153 P C -2.759 174.389 177.300 -0.254 0.000 1.218 153 P CA -1.196 61.617 63.100 -0.479 0.000 0.780 153 P CB -0.236 30.952 31.700 -0.853 0.000 0.901 154 P HA -0.015 nan 4.420 nan 0.000 0.269 154 P C -0.129 177.120 177.300 -0.085 0.000 1.215 154 P CA 0.091 63.156 63.100 -0.058 0.000 0.780 154 P CB 0.317 32.016 31.700 -0.001 0.000 0.898 155 V N 1.892 121.784 119.914 -0.037 0.000 2.585 155 V HA 0.122 4.242 4.120 -0.000 0.000 0.296 155 V C 1.273 177.342 176.094 -0.041 0.000 1.035 155 V CA -0.037 62.232 62.300 -0.051 0.000 1.084 155 V CB -0.175 31.644 31.823 -0.007 0.000 0.953 155 V HN 0.753 nan 8.190 nan 0.000 0.483 156 A N 3.758 126.531 122.820 -0.078 0.000 2.507 156 A HA 0.086 4.405 4.320 -0.000 0.000 0.235 156 A C 1.192 178.793 177.584 0.029 0.000 1.070 156 A CA -0.183 51.832 52.037 -0.036 0.000 0.768 156 A CB -0.055 18.905 19.000 -0.067 0.000 1.011 156 A HN 0.908 nan 8.150 nan 0.000 0.502 157 D N 0.448 120.883 120.400 0.059 0.000 2.218 157 D HA -0.129 4.511 4.640 -0.000 0.000 0.204 157 D C 0.899 177.242 176.300 0.070 0.000 0.976 157 D CA 1.864 55.903 54.000 0.064 0.000 0.853 157 D CB -0.016 40.825 40.800 0.068 0.000 0.939 157 D HN 0.772 nan 8.370 nan 0.000 0.481 158 D N -0.673 119.786 120.400 0.098 0.000 2.363 158 D HA -0.019 4.621 4.640 -0.000 0.000 0.214 158 D C 0.094 176.450 176.300 0.093 0.000 1.093 158 D CA -0.408 53.658 54.000 0.110 0.000 0.837 158 D CB -0.908 39.983 40.800 0.151 0.000 0.948 158 D HN -0.027 nan 8.370 nan 0.000 0.507 159 c N 2.637 121.260 118.600 0.039 0.000 2.657 159 c HA 0.107 4.677 4.570 -0.000 0.000 0.420 159 c C -0.320 173.710 174.090 -0.100 0.000 1.323 159 c CA -0.823 55.460 56.329 -0.076 0.000 1.894 159 c CB 0.974 43.442 42.510 -0.069 0.000 2.681 159 c HN 0.333 nan 8.230 nan 0.000 0.613 160 P HA -0.015 nan 4.420 nan 0.000 0.225 160 P C 0.397 177.662 177.300 -0.058 0.000 1.156 160 P CA 1.313 64.345 63.100 -0.114 0.000 0.787 160 P CB -0.047 31.558 31.700 -0.158 0.000 0.802 161 T N -5.663 108.854 114.554 -0.062 0.000 2.916 161 T HA 0.472 4.822 4.350 -0.000 0.000 0.292 161 T C -2.435 172.263 174.700 -0.003 0.000 1.055 161 T CA -2.207 59.883 62.100 -0.017 0.000 1.009 161 T CB 2.071 70.937 68.868 -0.003 0.000 1.118 161 T HN -0.344 nan 8.240 nan 0.000 0.497 162 P HA -0.016 nan 4.420 nan 0.000 0.216 162 P C 1.424 178.753 177.300 0.048 0.000 1.150 162 P CA 1.038 64.162 63.100 0.040 0.000 0.837 162 P CB 0.002 31.736 31.700 0.056 0.000 0.786 163 M N -2.503 117.128 119.600 0.051 0.000 2.556 163 M HA 0.247 4.727 4.480 -0.000 0.000 0.245 163 M C 1.376 177.681 176.300 0.008 0.000 1.128 163 M CA 0.838 56.169 55.300 0.051 0.000 1.069 163 M CB -0.783 31.862 32.600 0.075 0.000 1.469 163 M HN 0.098 nan 8.290 nan 0.000 0.494 164 G N 0.090 108.880 108.800 -0.017 0.000 1.649 164 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.099 164 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.099 164 G C 0.328 175.177 174.900 -0.084 0.000 1.449 164 G CA 0.229 45.297 45.100 -0.054 0.000 1.238 164 G HN 0.283 nan 8.290 nan 0.000 0.398 165 V N -1.085 118.792 119.914 -0.061 0.000 3.570 165 V HA 0.521 4.640 4.120 -0.000 0.000 0.257 165 V C 0.834 176.918 176.094 -0.016 0.000 1.272 165 V CA 1.250 63.516 62.300 -0.057 0.000 1.079 165 V CB 0.027 31.831 31.823 -0.032 0.000 0.829 165 V HN 0.400 nan 8.190 nan 0.000 0.454 166 K N 1.512 121.912 120.400 0.000 0.000 2.126 166 K HA 0.582 4.902 4.320 -0.000 0.000 0.257 166 K C 0.755 177.380 176.600 0.041 0.000 1.007 166 K CA 0.624 56.925 56.287 0.023 0.000 0.928 166 K CB 0.884 33.400 32.500 0.026 0.000 1.013 166 K HN 0.693 nan 8.250 nan 0.000 0.473 167 G N 1.485 110.319 108.800 0.056 0.000 2.642 167 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.231 167 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.231 167 G C -0.644 174.288 174.900 0.052 0.000 1.338 167 G CA -0.736 44.409 45.100 0.075 0.000 0.883 167 G HN 0.624 nan 8.290 nan 0.000 0.570 168 N N -0.191 118.540 118.700 0.051 0.000 2.408 168 N HA 0.328 5.068 4.740 -0.000 0.000 0.260 168 N C 1.491 177.014 175.510 0.022 0.000 1.242 168 N CA 0.143 53.211 53.050 0.029 0.000 0.959 168 N CB 1.282 39.779 38.487 0.016 0.000 1.201 168 N HN 0.588 nan 8.380 nan 0.000 0.511 169 K N 0.141 120.549 120.400 0.013 0.000 2.152 169 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 169 K C 0.617 177.223 176.600 0.010 0.000 1.048 169 K CA 1.858 58.151 56.287 0.010 0.000 0.933 169 K CB -0.639 31.866 32.500 0.009 0.000 0.721 169 K HN 0.748 nan 8.250 nan 0.000 0.447 170 E N -0.573 119.630 120.200 0.004 0.000 2.266 170 E HA 0.605 4.955 4.350 -0.000 0.000 0.268 170 E C -0.366 176.227 176.600 -0.012 0.000 0.879 170 E CA -0.631 55.768 56.400 -0.001 0.000 0.762 170 E CB 1.051 30.745 29.700 -0.009 0.000 1.199 170 E HN 0.332 nan 8.360 nan 0.000 0.422 171 L N 2.130 123.347 121.223 -0.010 0.000 2.476 171 L HA 0.366 4.706 4.340 -0.000 0.000 0.264 171 L C -1.565 175.233 176.870 -0.119 0.000 1.224 171 L CA -1.441 53.374 54.840 -0.041 0.000 0.821 171 L CB 0.746 42.813 42.059 0.013 0.000 1.101 171 L HN 0.574 nan 8.230 nan 0.000 0.488 172 P HA -0.039 nan 4.420 nan 0.000 0.269 172 P C -0.862 176.339 177.300 -0.166 0.000 1.209 172 P CA -0.338 62.600 63.100 -0.270 0.000 0.776 172 P CB 0.368 31.760 31.700 -0.512 0.000 0.876 173 D N 1.487 121.819 120.400 -0.113 0.000 2.586 173 D HA -0.082 4.558 4.640 -0.000 0.000 0.234 173 D C 1.213 177.477 176.300 -0.060 0.000 1.132 173 D CA 0.515 54.474 54.000 -0.069 0.000 0.860 173 D CB 0.651 41.418 40.800 -0.055 0.000 1.159 173 D HN 0.289 nan 8.370 nan 0.000 0.490 174 S N 3.767 119.449 115.700 -0.030 0.000 2.428 174 S HA -0.173 4.297 4.470 -0.000 0.000 0.230 174 S C 1.744 176.347 174.600 0.005 0.000 1.014 174 S CA 0.781 58.981 58.200 -0.001 0.000 0.957 174 S CB -0.052 63.156 63.200 0.012 0.000 0.784 174 S HN 0.627 nan 8.310 nan 0.000 0.499 175 K N 1.174 121.569 120.400 -0.008 0.000 2.097 175 K HA -0.113 4.206 4.320 -0.000 0.000 0.206 175 K C 1.932 178.525 176.600 -0.011 0.000 1.049 175 K CA 1.396 57.678 56.287 -0.007 0.000 0.933 175 K CB -0.082 32.411 32.500 -0.013 0.000 0.717 175 K HN 0.273 nan 8.250 nan 0.000 0.442 176 E N 0.440 120.625 120.200 -0.025 0.000 2.072 176 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 176 E C 2.145 178.732 176.600 -0.022 0.000 0.985 176 E CA 0.976 57.356 56.400 -0.033 0.000 0.801 176 E CB -0.198 29.469 29.700 -0.056 0.000 0.750 176 E HN 0.143 nan 8.360 nan 0.000 0.452 177 V N 1.838 121.744 119.914 -0.014 0.000 2.295 177 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 177 V C 2.581 178.702 176.094 0.045 0.000 1.049 177 V CA 1.681 64.000 62.300 0.032 0.000 1.024 177 V CB -0.647 31.226 31.823 0.083 0.000 0.648 177 V HN 0.174 nan 8.190 nan 0.000 0.447 178 L N 0.250 121.500 121.223 0.045 0.000 2.012 178 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 178 L C 2.375 179.260 176.870 0.025 0.000 1.073 178 L CA 2.113 56.981 54.840 0.048 0.000 0.748 178 L CB -0.628 41.457 42.059 0.043 0.000 0.891 178 L HN 0.361 nan 8.230 nan 0.000 0.431 179 E N -0.668 119.538 120.200 0.010 0.000 2.107 179 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 179 E C 2.156 178.755 176.600 -0.002 0.000 0.982 179 E CA 1.211 57.612 56.400 0.001 0.000 0.809 179 E CB -0.013 29.683 29.700 -0.006 0.000 0.756 179 E HN 0.514 nan 8.360 nan 0.000 0.459 180 K N 0.173 120.570 120.400 -0.004 0.000 2.076 180 K HA -0.067 4.253 4.320 -0.000 0.000 0.204 180 K C 1.990 178.585 176.600 -0.007 0.000 1.051 180 K CA 1.466 57.747 56.287 -0.010 0.000 0.949 180 K CB 0.381 32.870 32.500 -0.018 0.000 0.726 180 K HN 0.114 nan 8.250 nan 0.000 0.443 181 V N -2.930 116.986 119.914 0.002 0.000 3.502 181 V HA 0.162 4.282 4.120 -0.000 0.000 0.288 181 V C 1.010 177.103 176.094 -0.002 0.000 1.461 181 V CA -0.019 62.280 62.300 -0.002 0.000 1.029 181 V CB 0.384 32.209 31.823 0.002 0.000 0.843 181 V HN -0.025 nan 8.190 nan 0.000 0.438 182 L N 0.034 121.263 121.223 0.011 0.000 2.547 182 L HA 0.521 4.861 4.340 -0.000 0.000 0.218 182 L C 0.901 177.786 176.870 0.025 0.000 1.048 182 L CA 0.794 55.646 54.840 0.019 0.000 0.859 182 L CB 0.116 42.203 42.059 0.047 0.000 1.128 182 L HN 0.186 nan 8.230 nan 0.000 0.483 183 L N 1.107 122.342 121.223 0.020 0.000 2.453 183 L HA 0.082 4.422 4.340 -0.000 0.000 0.272 183 L C 0.760 177.639 176.870 0.016 0.000 1.182 183 L CA 0.029 54.879 54.840 0.017 0.000 0.858 183 L CB 0.293 42.356 42.059 0.007 0.000 1.120 183 L HN 0.179 nan 8.230 nan 0.000 0.474 184 R N 2.805 123.320 120.500 0.026 0.000 2.449 184 R HA 0.047 4.387 4.340 -0.000 0.000 0.296 184 R C 0.480 176.797 176.300 0.027 0.000 1.047 184 R CA -0.401 55.721 56.100 0.036 0.000 1.018 184 R CB 0.588 30.930 30.300 0.070 0.000 0.962 184 R HN 0.577 nan 8.270 nan 0.000 0.428 185 R N 2.897 123.410 120.500 0.021 0.000 1.852 185 R HA 0.045 4.385 4.340 -0.000 0.000 0.161 185 R C 0.066 176.387 176.300 0.036 0.000 1.756 185 R CA 0.641 56.752 56.100 0.018 0.000 1.480 185 R CB -0.907 29.396 30.300 0.005 0.000 0.995 185 R HN 0.754 nan 8.270 nan 0.000 0.490 186 E N 1.598 121.817 120.200 0.032 0.000 2.301 186 E HA 0.136 4.486 4.350 -0.000 0.000 0.275 186 E C -0.728 175.923 176.600 0.085 0.000 1.030 186 E CA -0.702 55.734 56.400 0.059 0.000 0.852 186 E CB 0.670 30.392 29.700 0.037 0.000 1.060 186 E HN 0.070 nan 8.360 nan 0.000 0.401 187 F N 3.016 122.951 119.950 -0.025 0.000 2.612 187 F HA 0.094 4.621 4.527 -0.000 0.000 0.389 187 F C -0.438 175.340 175.800 -0.036 0.000 1.055 187 F CA -0.009 57.973 58.000 -0.031 0.000 1.232 187 F CB 0.156 39.133 39.000 -0.037 0.000 1.044 187 F HN 0.378 nan 8.300 nan 0.000 0.560 188 I N 9.360 129.528 120.570 -0.670 0.000 2.328 188 I HA 0.266 4.435 4.170 -0.000 0.000 0.287 188 I C -2.040 173.465 176.117 -1.020 0.000 1.012 188 I CA -2.111 58.809 61.300 -0.633 0.000 1.195 188 I CB 1.146 38.949 38.000 -0.328 0.000 1.350 188 I HN 0.466 nan 8.210 nan 0.000 0.464 189 P HA 0.051 nan 4.420 nan 0.000 0.274 189 P C -0.860 176.228 177.300 -0.353 0.000 1.237 189 P CA -0.301 62.428 63.100 -0.618 0.000 0.793 189 P CB 0.845 32.392 31.700 -0.254 0.000 0.977 190 D N 2.451 122.706 120.400 -0.241 0.000 2.371 190 D HA 0.065 4.704 4.640 -0.000 0.000 0.256 190 D C -1.197 174.987 176.300 -0.193 0.000 1.193 190 D CA -2.056 51.807 54.000 -0.229 0.000 0.881 190 D CB 0.393 41.058 40.800 -0.225 0.000 1.143 190 D HN 0.148 nan 8.370 nan 0.000 0.473 191 P HA -0.165 nan 4.420 nan 0.000 0.220 191 P C 0.920 178.120 177.300 -0.166 0.000 1.148 191 P CA 1.064 64.066 63.100 -0.164 0.000 0.803 191 P CB 0.283 31.887 31.700 -0.160 0.000 0.782 192 Q N -1.153 118.511 119.800 -0.226 0.000 2.435 192 Q HA 0.119 4.458 4.340 -0.000 0.000 0.207 192 Q C 1.081 176.996 176.000 -0.141 0.000 0.956 192 Q CA 0.754 56.407 55.803 -0.251 0.000 0.917 192 Q CB -0.314 28.164 28.738 -0.433 0.000 0.997 192 Q HN 0.299 nan 8.270 nan 0.000 0.497 193 G N 0.928 109.664 108.800 -0.106 0.000 2.132 193 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.228 193 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.228 193 G C -0.126 174.772 174.900 -0.003 0.000 1.000 193 G CA 0.123 45.203 45.100 -0.033 0.000 0.693 193 G HN 0.244 nan 8.290 nan 0.000 0.515 194 S N 0.867 116.541 115.700 -0.042 0.000 2.549 194 S HA 0.407 4.876 4.470 -0.000 0.000 0.286 194 S C 0.831 175.427 174.600 -0.007 0.000 1.314 194 S CA 0.471 58.607 58.200 -0.106 0.000 1.062 194 S CB 0.792 63.835 63.200 -0.262 0.000 0.865 194 S HN 0.978 nan 8.310 nan 0.000 0.498 195 N N 1.757 120.491 118.700 0.055 0.000 2.725 195 N HA 0.350 5.090 4.740 -0.000 0.000 0.312 195 N C 0.604 176.224 175.510 0.184 0.000 1.295 195 N CA -0.883 52.243 53.050 0.125 0.000 0.914 195 N CB -0.004 38.562 38.487 0.131 0.000 1.177 195 N HN 0.276 nan 8.380 nan 0.000 0.601 196 M N -0.448 119.234 119.600 0.136 0.000 2.394 196 M HA 0.097 4.576 4.480 -0.000 0.000 0.264 196 M C 1.379 177.794 176.300 0.190 0.000 1.073 196 M CA 0.906 56.200 55.300 -0.010 0.000 1.111 196 M CB -0.942 31.522 32.600 -0.227 0.000 1.401 196 M HN 0.526 nan 8.290 nan 0.000 0.448 197 M N -1.096 118.752 119.600 0.414 0.000 2.117 197 M HA -0.175 4.305 4.480 -0.000 0.000 0.262 197 M C 2.240 179.018 176.300 0.797 0.000 1.065 197 M CA 1.513 57.191 55.300 0.629 0.000 1.114 197 M CB -1.380 31.524 32.600 0.507 0.000 1.361 197 M HN 0.213 nan 8.290 nan 0.000 0.408 198 F N 1.073 121.327 119.950 0.506 0.000 2.146 198 F HA -0.052 4.475 4.527 -0.000 0.000 0.298 198 F C 2.309 178.262 175.800 0.255 0.000 1.096 198 F CA 1.529 59.688 58.000 0.265 0.000 1.275 198 F CB -0.278 38.721 39.000 -0.003 0.000 1.008 198 F HN 0.096 nan 8.300 nan 0.000 0.480 199 A N 0.132 123.087 122.820 0.225 0.000 1.877 199 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 199 A C 2.004 179.548 177.584 -0.066 0.000 1.186 199 A CA 1.751 53.798 52.037 0.017 0.000 0.620 199 A CB -1.443 17.484 19.000 -0.122 0.000 0.822 199 A HN 0.424 nan 8.150 nan 0.000 0.443 200 F N -1.672 118.385 119.950 0.178 0.000 2.259 200 F HA 0.020 4.547 4.527 -0.001 0.000 0.298 200 F C 1.943 177.826 175.800 0.138 0.000 1.088 200 F CA 0.589 58.704 58.000 0.192 0.000 1.358 200 F CB -0.835 38.337 39.000 0.287 0.000 1.040 200 F HN 0.336 nan 8.300 nan 0.000 0.505 201 F N 0.726 120.770 119.950 0.157 0.000 2.134 201 F HA -0.169 4.358 4.527 -0.000 0.000 0.299 201 F C 2.384 178.075 175.800 -0.181 0.000 1.097 201 F CA 1.397 59.219 58.000 -0.296 0.000 1.264 201 F CB -0.537 38.398 39.000 -0.109 0.000 1.001 201 F HN -0.072 nan 8.300 nan 0.000 0.479 202 A N -0.204 122.660 122.820 0.073 0.000 1.883 202 A HA -0.305 4.015 4.320 -0.000 0.000 0.217 202 A C 2.233 179.738 177.584 -0.132 0.000 1.186 202 A CA 2.041 54.116 52.037 0.063 0.000 0.624 202 A CB -1.110 17.977 19.000 0.145 0.000 0.822 202 A HN 0.601 nan 8.150 nan 0.000 0.444 203 Q N -1.577 118.137 119.800 -0.143 0.000 2.046 203 Q HA -0.226 4.114 4.340 -0.000 0.000 0.200 203 Q C 2.188 177.867 176.000 -0.535 0.000 0.975 203 Q CA 1.542 57.124 55.803 -0.368 0.000 0.836 203 Q CB -0.325 28.285 28.738 -0.214 0.000 0.896 203 Q HN 0.892 nan 8.270 nan 0.000 0.428 204 H N -0.482 118.314 119.070 -0.457 0.000 2.293 204 H HA -0.172 4.383 4.556 -0.000 0.000 0.300 204 H C 1.992 177.107 175.328 -0.356 0.000 1.082 204 H CA 1.819 57.587 56.048 -0.468 0.000 1.308 204 H CB -0.312 29.195 29.762 -0.424 0.000 1.375 204 H HN 0.325 nan 8.280 nan 0.000 0.495 205 F N 1.956 121.500 119.950 -0.676 0.000 2.075 205 F HA -0.212 4.315 4.527 -0.000 0.000 0.297 205 F C 2.825 178.002 175.800 -1.039 0.000 1.113 205 F CA 2.541 60.037 58.000 -0.840 0.000 1.218 205 F CB -0.895 37.545 39.000 -0.933 0.000 0.984 205 F HN 0.238 nan 8.300 nan 0.000 0.472 206 T N -2.972 110.853 114.554 -1.216 0.000 2.995 206 T HA -0.164 4.185 4.350 -0.000 0.000 0.269 206 T C 1.672 175.448 174.700 -1.539 0.000 1.091 206 T CA 1.541 62.515 62.100 -1.876 0.000 1.128 206 T CB -1.140 66.976 68.868 -1.252 0.000 0.891 206 T HN 0.584 nan 8.240 nan 0.000 0.492 207 H N 1.387 119.888 119.070 -0.948 0.000 2.556 207 H HA 0.068 4.624 4.556 -0.000 0.000 0.268 207 H C 2.470 177.410 175.328 -0.647 0.000 0.996 207 H CA 0.683 56.404 56.048 -0.545 0.000 1.157 207 H CB 0.175 29.891 29.762 -0.076 0.000 1.355 207 H HN 0.729 nan 8.280 nan 0.000 0.597 208 Q N 0.791 120.013 119.800 -0.964 0.000 2.269 208 Q HA -0.084 4.256 4.340 -0.000 0.000 0.201 208 Q C 1.078 176.694 176.000 -0.639 0.000 0.946 208 Q CA 1.107 56.393 55.803 -0.861 0.000 0.877 208 Q CB -0.120 27.905 28.738 -1.189 0.000 0.963 208 Q HN 0.514 nan 8.270 nan 0.000 0.472 209 F N -2.527 117.015 119.950 -0.680 0.000 2.746 209 F HA 0.469 4.995 4.527 -0.000 0.000 0.313 209 F C -0.218 175.336 175.800 -0.409 0.000 1.095 209 F CA -1.242 56.410 58.000 -0.580 0.000 1.224 209 F CB 0.294 38.925 39.000 -0.615 0.000 1.060 209 F HN -0.209 nan 8.300 nan 0.000 0.584 210 F N 3.638 123.417 119.950 -0.286 0.000 2.309 210 F HA 0.489 5.016 4.527 -0.001 0.000 0.366 210 F C 0.044 175.679 175.800 -0.275 0.000 1.104 210 F CA -1.578 56.311 58.000 -0.184 0.000 1.179 210 F CB 0.612 39.394 39.000 -0.364 0.000 1.437 210 F HN -0.047 nan 8.300 nan 0.000 0.528 211 K N 2.038 122.447 120.400 0.014 0.000 2.842 211 K HA 0.219 4.539 4.320 -0.000 0.000 0.176 211 K C -0.317 176.185 176.600 -0.164 0.000 1.080 211 K CA -0.299 55.898 56.287 -0.151 0.000 0.954 211 K CB 1.064 33.435 32.500 -0.214 0.000 1.203 211 K HN 0.321 nan 8.250 nan 0.000 0.611 212 T N 1.329 115.799 114.554 -0.141 0.000 2.928 212 T HA -0.050 4.300 4.350 -0.000 0.000 0.305 212 T C 0.177 174.566 174.700 -0.518 0.000 1.035 212 T CA 0.318 62.297 62.100 -0.201 0.000 1.145 212 T CB 0.440 69.251 68.868 -0.096 0.000 0.963 212 T HN 0.249 nan 8.240 nan 0.000 0.545 213 D N 1.554 121.760 120.400 -0.323 0.000 2.494 213 D HA 0.062 4.701 4.640 -0.000 0.000 0.217 213 D C 1.222 177.390 176.300 -0.220 0.000 1.153 213 D CA -0.379 53.453 54.000 -0.280 0.000 0.954 213 D CB 0.096 40.791 40.800 -0.174 0.000 1.034 213 D HN 0.536 nan 8.370 nan 0.000 0.518 214 H N 2.728 121.781 119.070 -0.029 0.000 2.421 214 H HA -0.142 4.414 4.556 -0.000 0.000 0.298 214 H C 1.893 177.195 175.328 -0.044 0.000 1.087 214 H CA 1.082 57.118 56.048 -0.021 0.000 1.330 214 H CB 0.174 29.925 29.762 -0.019 0.000 1.388 214 H HN 0.517 nan 8.280 nan 0.000 0.526 215 K N 1.538 121.950 120.400 0.020 0.000 2.280 215 K HA -0.103 4.216 4.320 -0.000 0.000 0.202 215 K C 1.800 178.330 176.600 -0.116 0.000 1.047 215 K CA 1.109 57.371 56.287 -0.041 0.000 0.942 215 K CB 0.061 32.526 32.500 -0.059 0.000 0.739 215 K HN 0.239 nan 8.250 nan 0.000 0.457 216 R N 0.285 120.669 120.500 -0.193 0.000 2.123 216 R HA 0.192 4.531 4.340 -0.000 0.000 0.209 216 R C 0.571 176.741 176.300 -0.217 0.000 1.078 216 R CA 0.594 56.454 56.100 -0.400 0.000 1.028 216 R CB 0.767 30.541 30.300 -0.876 0.000 0.939 216 R HN 0.381 nan 8.270 nan 0.000 0.463 217 G N -0.040 108.761 108.800 0.000 0.000 2.359 217 G HA2 -0.070 3.889 3.960 -0.000 0.000 0.314 217 G HA3 -0.070 3.889 3.960 -0.000 0.000 0.314 217 G C -2.603 172.437 174.900 0.234 0.000 1.364 217 G CA -0.909 44.289 45.100 0.163 0.000 0.978 217 G HN -0.200 nan 8.290 nan 0.000 0.615 218 P HA 0.076 nan 4.420 nan 0.000 0.229 218 P C 1.581 179.011 177.300 0.216 0.000 1.160 218 P CA 1.531 64.733 63.100 0.169 0.000 0.777 218 P CB 0.086 31.841 31.700 0.093 0.000 0.814 219 G N -1.632 107.281 108.800 0.189 0.000 3.026 219 G HA2 0.099 4.059 3.960 -0.000 0.000 0.208 219 G HA3 0.099 4.059 3.960 -0.000 0.000 0.208 219 G C -0.046 174.746 174.900 -0.180 0.000 1.169 219 G CA -0.081 45.058 45.100 0.066 0.000 0.788 219 G HN 0.160 nan 8.290 nan 0.000 0.533 220 F N -0.636 119.292 119.950 -0.036 0.000 2.522 220 F HA 0.612 5.139 4.527 -0.001 0.000 0.324 220 F C 0.393 175.912 175.800 -0.469 0.000 1.077 220 F CA -0.772 57.056 58.000 -0.287 0.000 0.944 220 F CB 2.546 41.361 39.000 -0.308 0.000 1.175 220 F HN -0.159 nan 8.300 nan 0.000 0.468 221 T N 0.822 115.076 114.554 -0.500 0.000 2.924 221 T HA 0.461 4.810 4.350 -0.000 0.000 0.291 221 T C 0.554 175.039 174.700 -0.358 0.000 1.045 221 T CA -0.578 61.132 62.100 -0.650 0.000 1.015 221 T CB 1.370 69.553 68.868 -1.142 0.000 1.103 221 T HN 0.729 nan 8.240 nan 0.000 0.496 222 R N 1.095 121.407 120.500 -0.314 0.000 2.365 222 R HA 0.254 4.593 4.340 -0.000 0.000 0.223 222 R C 1.207 177.357 176.300 -0.250 0.000 0.899 222 R CA -0.084 55.872 56.100 -0.239 0.000 1.059 222 R CB 0.550 30.727 30.300 -0.205 0.000 1.086 222 R HN 0.611 nan 8.270 nan 0.000 0.522 223 G N 1.408 110.017 108.800 -0.319 0.000 3.064 223 G HA2 0.162 4.122 3.960 -0.000 0.000 0.286 223 G HA3 0.162 4.122 3.960 -0.000 0.000 0.286 223 G C 0.711 175.351 174.900 -0.433 0.000 0.834 223 G CA -0.361 44.545 45.100 -0.323 0.000 1.856 223 G HN 0.134 nan 8.290 nan 0.000 0.559 224 L N 1.598 122.659 121.223 -0.271 0.000 2.456 224 L HA 0.031 4.371 4.340 -0.000 0.000 0.224 224 L C 2.623 179.459 176.870 -0.057 0.000 1.148 224 L CA 0.790 55.527 54.840 -0.171 0.000 0.825 224 L CB 0.110 42.121 42.059 -0.079 0.000 0.937 224 L HN 0.531 nan 8.230 nan 0.000 0.450 225 G N -2.391 106.350 108.800 -0.099 0.000 2.623 225 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.214 225 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.214 225 G C 0.624 175.549 174.900 0.043 0.000 1.138 225 G CA -0.155 44.935 45.100 -0.016 0.000 0.794 225 G HN 0.551 nan 8.290 nan 0.000 0.535 226 H N -0.435 118.599 119.070 -0.059 0.000 2.741 226 H HA -0.166 4.390 4.556 -0.000 0.000 0.305 226 H C 1.131 176.401 175.328 -0.097 0.000 1.169 226 H CA 1.125 57.137 56.048 -0.060 0.000 1.144 226 H CB -1.391 28.332 29.762 -0.065 0.000 1.397 226 H HN 0.765 nan 8.280 nan 0.000 0.409 227 G N -1.665 107.116 108.800 -0.032 0.000 2.393 227 G HA2 0.274 4.234 3.960 -0.000 0.000 0.264 227 G HA3 0.274 4.234 3.960 -0.000 0.000 0.264 227 G C -0.849 174.047 174.900 -0.006 0.000 1.221 227 G CA -0.224 44.820 45.100 -0.094 0.000 0.912 227 G HN 0.131 nan 8.290 nan 0.000 0.483 228 V N 2.483 122.406 119.914 0.016 0.000 2.223 228 V HA 0.266 4.386 4.120 -0.000 0.000 0.249 228 V C 0.353 176.480 176.094 0.055 0.000 1.233 228 V CA 0.761 63.094 62.300 0.055 0.000 1.131 228 V CB 0.231 32.145 31.823 0.151 0.000 1.298 228 V HN 0.759 nan 8.190 nan 0.000 0.498 229 D N 2.800 123.214 120.400 0.023 0.000 2.398 229 D HA 0.070 4.710 4.640 -0.000 0.000 0.210 229 D C 0.809 177.177 176.300 0.115 0.000 1.094 229 D CA -0.480 53.556 54.000 0.059 0.000 0.839 229 D CB 0.274 41.095 40.800 0.035 0.000 0.963 229 D HN 0.219 nan 8.370 nan 0.000 0.506 230 L N 0.818 122.099 121.223 0.098 0.000 3.865 230 L HA -0.289 4.051 4.340 -0.000 0.000 0.408 230 L C 0.924 177.935 176.870 0.235 0.000 1.209 230 L CA 0.827 55.791 54.840 0.208 0.000 0.940 230 L CB -2.902 39.286 42.059 0.216 0.000 1.971 230 L HN 0.394 nan 8.230 nan 0.000 0.899 231 N N -1.035 117.743 118.700 0.129 0.000 2.381 231 N HA -0.170 4.570 4.740 -0.000 0.000 0.182 231 N C 1.697 177.197 175.510 -0.016 0.000 1.025 231 N CA 1.498 54.581 53.050 0.055 0.000 0.888 231 N CB -0.267 38.199 38.487 -0.035 0.000 0.965 231 N HN 0.715 nan 8.380 nan 0.000 0.438 232 H N -0.617 118.274 119.070 -0.298 0.000 2.546 232 H HA 0.122 4.678 4.556 -0.000 0.000 0.277 232 H C 1.366 176.511 175.328 -0.305 0.000 1.004 232 H CA 0.657 56.448 56.048 -0.428 0.000 1.231 232 H CB -0.287 29.161 29.762 -0.522 0.000 1.382 232 H HN 0.424 nan 8.280 nan 0.000 0.580 233 I N -0.962 119.330 120.570 -0.462 0.000 3.194 233 I HA -0.048 4.122 4.170 -0.000 0.000 0.271 233 I C 1.221 177.070 176.117 -0.447 0.000 1.150 233 I CA 0.185 61.147 61.300 -0.564 0.000 1.440 233 I CB 0.102 37.568 38.000 -0.890 0.000 1.276 233 I HN -0.024 nan 8.210 nan 0.000 0.457 234 Y N 1.259 121.532 120.300 -0.044 0.000 2.478 234 Y HA 0.472 5.022 4.550 -0.000 0.000 0.261 234 Y C 1.133 177.044 175.900 0.017 0.000 1.127 234 Y CA 0.052 58.172 58.100 0.033 0.000 1.288 234 Y CB 0.042 38.573 38.460 0.119 0.000 1.084 234 Y HN 0.129 nan 8.280 nan 0.000 0.530 235 G N 0.806 109.652 108.800 0.076 0.000 2.719 235 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.686 235 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.686 235 G C 0.116 175.026 174.900 0.017 0.000 1.201 235 G CA -0.101 45.010 45.100 0.017 0.000 0.768 235 G HN 0.167 nan 8.290 nan 0.000 0.629 236 E N -0.297 119.880 120.200 -0.037 0.000 2.072 236 E HA 0.093 4.442 4.350 -0.000 0.000 0.190 236 E C 1.926 178.504 176.600 -0.037 0.000 0.982 236 E CA 2.245 58.615 56.400 -0.050 0.000 0.803 236 E CB -0.000 29.646 29.700 -0.089 0.000 0.755 236 E HN 1.147 nan 8.360 nan 0.000 0.453 237 T N -1.957 112.572 114.554 -0.042 0.000 2.952 237 T HA 0.270 4.620 4.350 -0.000 0.000 0.286 237 T C 0.986 175.647 174.700 -0.065 0.000 1.024 237 T CA -0.564 61.505 62.100 -0.051 0.000 1.029 237 T CB 1.233 70.067 68.868 -0.057 0.000 1.094 237 T HN 0.066 nan 8.240 nan 0.000 0.515 238 L N 1.235 122.392 121.223 -0.110 0.000 2.141 238 L HA 0.008 4.348 4.340 -0.000 0.000 0.209 238 L C 2.276 178.972 176.870 -0.291 0.000 1.094 238 L CA 1.903 56.604 54.840 -0.231 0.000 0.763 238 L CB -0.932 40.959 42.059 -0.279 0.000 0.908 238 L HN 0.871 nan 8.230 nan 0.000 0.437 239 D N -1.058 119.248 120.400 -0.158 0.000 2.092 239 D HA -0.248 4.392 4.640 -0.000 0.000 0.193 239 D C 2.302 178.593 176.300 -0.015 0.000 0.994 239 D CA 1.500 55.455 54.000 -0.075 0.000 0.828 239 D CB -0.263 40.512 40.800 -0.043 0.000 0.963 239 D HN 0.470 nan 8.370 nan 0.000 0.450 240 R N 0.285 120.772 120.500 -0.021 0.000 2.081 240 R HA -0.194 4.146 4.340 -0.000 0.000 0.235 240 R C 2.559 178.877 176.300 0.030 0.000 1.131 240 R CA 1.774 57.876 56.100 0.004 0.000 0.960 240 R CB -0.324 29.969 30.300 -0.012 0.000 0.856 240 R HN 0.334 nan 8.270 nan 0.000 0.436 241 Q N -0.253 119.563 119.800 0.026 0.000 2.061 241 Q HA -0.236 4.103 4.340 -0.000 0.000 0.204 241 Q C 1.752 177.790 176.000 0.064 0.000 0.984 241 Q CA 1.993 57.830 55.803 0.056 0.000 0.846 241 Q CB -0.176 28.595 28.738 0.054 0.000 0.902 241 Q HN 0.680 nan 8.270 nan 0.000 0.421 242 H N -0.615 118.429 119.070 -0.043 0.000 2.457 242 H HA -0.056 4.500 4.556 -0.000 0.000 0.294 242 H C 1.895 177.270 175.328 0.079 0.000 1.064 242 H CA 0.907 56.983 56.048 0.045 0.000 1.330 242 H CB 0.332 30.219 29.762 0.208 0.000 1.395 242 H HN 0.198 nan 8.280 nan 0.000 0.541 243 K N 0.466 120.964 120.400 0.163 0.000 2.228 243 K HA -0.015 4.304 4.320 -0.000 0.000 0.202 243 K C 1.760 178.395 176.600 0.057 0.000 1.051 243 K CA 0.458 56.808 56.287 0.106 0.000 0.960 243 K CB 0.291 32.836 32.500 0.074 0.000 0.743 243 K HN 0.221 nan 8.250 nan 0.000 0.458 244 L N 0.243 121.484 121.223 0.030 0.000 2.446 244 L HA 0.041 4.381 4.340 -0.000 0.000 0.219 244 L C 0.722 177.575 176.870 -0.029 0.000 1.116 244 L CA 0.163 55.015 54.840 0.020 0.000 0.844 244 L CB 0.072 42.154 42.059 0.038 0.000 0.970 244 L HN 0.007 nan 8.230 nan 0.000 0.457 245 R N -0.150 120.253 120.500 -0.163 0.000 2.459 245 R HA 0.148 4.488 4.340 -0.000 0.000 0.281 245 R C 0.690 176.818 176.300 -0.287 0.000 1.050 245 R CA -0.436 55.444 56.100 -0.366 0.000 1.055 245 R CB 1.388 31.122 30.300 -0.944 0.000 1.045 245 R HN -0.084 nan 8.270 nan 0.000 0.495 246 L N 2.364 123.483 121.223 -0.175 0.000 2.375 246 L HA 0.172 4.512 4.340 -0.000 0.000 0.215 246 L C 0.142 177.057 176.870 0.075 0.000 1.108 246 L CA 1.040 55.875 54.840 -0.010 0.000 0.830 246 L CB -0.088 42.014 42.059 0.073 0.000 0.959 246 L HN 0.829 nan 8.230 nan 0.000 0.457 247 F N -0.760 119.189 119.950 -0.003 0.000 3.034 247 F HA -0.315 4.212 4.527 -0.001 0.000 0.286 247 F C 0.765 176.579 175.800 0.022 0.000 0.804 247 F CA 1.146 59.129 58.000 -0.029 0.000 1.161 247 F CB -1.421 37.530 39.000 -0.082 0.000 1.317 247 F HN 0.142 nan 8.300 nan 0.000 0.453 248 K N 0.680 121.180 120.400 0.166 0.000 2.471 248 K HA 0.295 4.615 4.320 -0.000 0.000 0.252 248 K C 0.062 176.757 176.600 0.158 0.000 0.938 248 K CA -0.390 55.988 56.287 0.152 0.000 0.796 248 K CB 1.235 33.813 32.500 0.130 0.000 1.161 248 K HN 0.061 nan 8.250 nan 0.000 0.425 249 D N 2.515 123.010 120.400 0.159 0.000 3.059 249 D HA -0.197 4.443 4.640 -0.000 0.000 0.220 249 D C 0.640 177.057 176.300 0.196 0.000 1.169 249 D CA 1.719 55.818 54.000 0.166 0.000 0.902 249 D CB -1.201 39.685 40.800 0.144 0.000 1.116 249 D HN 1.081 nan 8.370 nan 0.000 0.417 250 G N -0.512 108.422 108.800 0.224 0.000 2.159 250 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.256 250 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.256 250 G C 0.345 175.521 174.900 0.460 0.000 0.977 250 G CA 0.842 46.134 45.100 0.319 0.000 0.652 250 G HN 0.490 nan 8.290 nan 0.000 0.531 251 K N -0.415 120.191 120.400 0.343 0.000 2.090 251 K HA 0.669 4.989 4.320 -0.000 0.000 0.250 251 K C 0.568 177.394 176.600 0.376 0.000 1.004 251 K CA -0.630 55.908 56.287 0.418 0.000 0.919 251 K CB 1.013 33.697 32.500 0.307 0.000 1.045 251 K HN 0.159 nan 8.250 nan 0.000 0.471 252 L N 1.990 123.454 121.223 0.401 0.000 2.334 252 L HA 0.256 4.596 4.340 -0.000 0.000 0.277 252 L C 0.382 177.412 176.870 0.267 0.000 1.075 252 L CA -0.542 54.437 54.840 0.231 0.000 0.804 252 L CB 0.936 43.093 42.059 0.163 0.000 1.174 252 L HN 0.432 nan 8.230 nan 0.000 0.438 253 K N 1.972 122.462 120.400 0.150 0.000 2.469 253 K HA 0.144 4.464 4.320 -0.000 0.000 0.274 253 K C -1.063 175.671 176.600 0.223 0.000 0.983 253 K CA 0.617 56.968 56.287 0.106 0.000 0.974 253 K CB 0.408 32.928 32.500 0.034 0.000 0.913 253 K HN 0.442 nan 8.250 nan 0.000 0.493 254 Y N -2.033 118.318 120.300 0.086 0.000 2.705 254 Y HA 0.323 4.873 4.550 -0.000 0.000 0.332 254 Y C -1.299 174.663 175.900 0.103 0.000 1.221 254 Y CA -1.382 56.779 58.100 0.101 0.000 1.059 254 Y CB 1.016 39.527 38.460 0.085 0.000 1.298 254 Y HN 0.590 nan 8.280 nan 0.000 0.459 255 Q N 0.440 120.428 119.800 0.312 0.000 2.451 255 Q HA 0.823 5.163 4.340 -0.000 0.000 0.281 255 Q C -2.090 174.116 176.000 0.342 0.000 1.099 255 Q CA -1.327 54.606 55.803 0.217 0.000 0.806 255 Q CB 3.007 31.843 28.738 0.163 0.000 1.419 255 Q HN 0.597 nan 8.270 nan 0.000 0.427 256 V N 2.462 122.524 119.914 0.246 0.000 2.384 256 V HA 0.479 4.599 4.120 -0.000 0.000 0.287 256 V C -0.608 175.607 176.094 0.200 0.000 1.020 256 V CA -0.502 61.934 62.300 0.228 0.000 0.850 256 V CB 1.127 33.057 31.823 0.178 0.000 0.987 256 V HN 0.651 nan 8.190 nan 0.000 0.436 257 I N 3.685 124.418 120.570 0.270 0.000 2.439 257 I HA 0.573 4.743 4.170 -0.000 0.000 0.285 257 I C 1.001 177.230 176.117 0.185 0.000 1.021 257 I CA -0.498 60.926 61.300 0.208 0.000 1.091 257 I CB 1.732 39.843 38.000 0.186 0.000 1.242 257 I HN 0.801 nan 8.210 nan 0.000 0.439 258 G N 4.301 113.164 108.800 0.105 0.000 2.323 258 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.292 258 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.292 258 G C 1.014 175.955 174.900 0.070 0.000 1.040 258 G CA 0.643 45.789 45.100 0.076 0.000 0.942 258 G HN 1.575 nan 8.290 nan 0.000 0.506 259 G N -1.796 107.045 108.800 0.068 0.000 2.189 259 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.267 259 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.267 259 G C 0.132 175.044 174.900 0.020 0.000 0.975 259 G CA 0.973 46.098 45.100 0.043 0.000 0.644 259 G HN 0.927 nan 8.290 nan 0.000 0.537 260 E N -0.321 119.902 120.200 0.038 0.000 2.202 260 E HA 0.534 4.884 4.350 -0.000 0.000 0.272 260 E C -0.053 176.467 176.600 -0.133 0.000 0.951 260 E CA -0.761 55.588 56.400 -0.085 0.000 0.813 260 E CB 2.371 32.011 29.700 -0.099 0.000 1.151 260 E HN 0.082 nan 8.360 nan 0.000 0.398 261 V N 3.786 123.521 119.914 -0.298 0.000 2.432 261 V HA 0.204 4.324 4.120 -0.000 0.000 0.271 261 V C -0.760 175.080 176.094 -0.424 0.000 1.046 261 V CA -0.049 62.119 62.300 -0.220 0.000 0.945 261 V CB -0.292 31.374 31.823 -0.261 0.000 0.992 261 V HN 0.507 nan 8.190 nan 0.000 0.471 262 Y N 4.850 125.210 120.300 0.101 0.000 2.633 262 Y HA 0.538 5.087 4.550 -0.000 0.000 0.339 262 Y C -2.284 173.726 175.900 0.184 0.000 1.045 262 Y CA -2.762 55.385 58.100 0.079 0.000 1.098 262 Y CB 1.865 40.413 38.460 0.145 0.000 1.296 262 Y HN 0.418 nan 8.280 nan 0.000 0.494 263 P HA 0.057 nan 4.420 nan 0.000 0.270 263 P C -2.503 175.043 177.300 0.410 0.000 1.223 263 P CA -0.782 62.520 63.100 0.337 0.000 0.785 263 P CB 0.037 31.908 31.700 0.286 0.000 0.923 264 P HA 0.067 nan 4.420 nan 0.000 0.277 264 P C -0.369 177.001 177.300 0.118 0.000 1.276 264 P CA 0.007 63.202 63.100 0.158 0.000 0.788 264 P CB 0.098 31.854 31.700 0.094 0.000 1.114 265 T N -3.623 110.939 114.554 0.014 0.000 2.902 265 T HA 0.230 4.580 4.350 -0.000 0.000 0.280 265 T C 1.453 176.149 174.700 -0.008 0.000 0.992 265 T CA -0.698 61.368 62.100 -0.056 0.000 1.015 265 T CB 0.135 68.923 68.868 -0.134 0.000 1.044 265 T HN 0.061 nan 8.240 nan 0.000 0.520 266 V N 1.147 121.052 119.914 -0.015 0.000 2.332 266 V HA -0.124 3.996 4.120 -0.000 0.000 0.248 266 V C 2.799 178.888 176.094 -0.009 0.000 1.055 266 V CA 2.213 64.522 62.300 0.014 0.000 1.038 266 V CB -0.921 30.918 31.823 0.027 0.000 0.651 266 V HN 0.958 nan 8.190 nan 0.000 0.450 267 K N 0.554 120.930 120.400 -0.040 0.000 2.097 267 K HA -0.219 4.101 4.320 -0.000 0.000 0.206 267 K C 1.779 178.364 176.600 -0.025 0.000 1.049 267 K CA 2.042 58.305 56.287 -0.039 0.000 0.933 267 K CB -0.483 31.982 32.500 -0.059 0.000 0.717 267 K HN 0.550 nan 8.250 nan 0.000 0.442 268 D N -1.607 118.778 120.400 -0.024 0.000 2.162 268 D HA -0.079 4.561 4.640 -0.000 0.000 0.203 268 D C 1.471 177.774 176.300 0.004 0.000 0.967 268 D CA 1.657 55.649 54.000 -0.014 0.000 0.840 268 D CB 0.117 40.906 40.800 -0.018 0.000 0.972 268 D HN 0.415 nan 8.370 nan 0.000 0.482 269 T N -3.908 110.655 114.554 0.015 0.000 3.044 269 T HA 0.001 4.351 4.350 -0.000 0.000 0.255 269 T C 0.820 175.538 174.700 0.029 0.000 1.073 269 T CA 0.171 62.288 62.100 0.030 0.000 1.125 269 T CB 0.179 69.073 68.868 0.042 0.000 0.908 269 T HN 0.049 nan 8.240 nan 0.000 0.480 270 Q N -0.262 119.549 119.800 0.020 0.000 2.489 270 Q HA -0.118 4.221 4.340 -0.000 0.000 0.259 270 Q C -0.356 175.657 176.000 0.022 0.000 0.934 270 Q CA 0.312 56.125 55.803 0.017 0.000 1.131 270 Q CB -2.735 26.012 28.738 0.015 0.000 1.472 270 Q HN 0.553 nan 8.270 nan 0.000 0.560 271 V N 1.658 121.590 119.914 0.031 0.000 2.488 271 V HA 0.077 4.196 4.120 -0.000 0.000 0.277 271 V C 0.983 177.098 176.094 0.035 0.000 1.046 271 V CA 0.138 62.457 62.300 0.031 0.000 0.986 271 V CB 1.267 33.115 31.823 0.041 0.000 0.989 271 V HN 0.124 nan 8.190 nan 0.000 0.475 272 E N 5.519 125.730 120.200 0.019 0.000 2.290 272 E HA 0.348 4.698 4.350 -0.000 0.000 0.277 272 E C -0.490 176.120 176.600 0.018 0.000 1.035 272 E CA -0.164 56.248 56.400 0.019 0.000 0.873 272 E CB 0.769 30.469 29.700 -0.000 0.000 1.029 272 E HN 0.431 nan 8.360 nan 0.000 0.419 273 M N 2.418 122.045 119.600 0.044 0.000 2.572 273 M HA 0.419 4.899 4.480 -0.000 0.000 0.299 273 M C -0.473 175.794 176.300 -0.056 0.000 1.205 273 M CA -0.804 54.494 55.300 -0.005 0.000 0.876 273 M CB 1.739 34.395 32.600 0.093 0.000 1.728 273 M HN 0.418 nan 8.290 nan 0.000 0.458 274 I N 2.245 122.711 120.570 -0.172 0.000 2.322 274 I HA 0.237 4.407 4.170 -0.000 0.000 0.292 274 I C -1.280 174.636 176.117 -0.335 0.000 1.060 274 I CA -0.028 61.183 61.300 -0.149 0.000 1.309 274 I CB 0.017 37.986 38.000 -0.052 0.000 1.415 274 I HN 0.478 nan 8.210 nan 0.000 0.492 275 Y N 6.675 126.903 120.300 -0.120 0.000 2.457 275 Y HA 0.405 4.955 4.550 -0.000 0.000 0.343 275 Y C -2.045 173.607 175.900 -0.414 0.000 0.994 275 Y CA -2.218 55.695 58.100 -0.311 0.000 1.031 275 Y CB 1.960 40.313 38.460 -0.179 0.000 1.246 275 Y HN 0.428 nan 8.280 nan 0.000 0.449 276 P HA 0.126 nan 4.420 nan 0.000 0.271 276 P C -2.375 174.740 177.300 -0.308 0.000 1.218 276 P CA -1.310 61.560 63.100 -0.383 0.000 0.780 276 P CB 0.870 32.272 31.700 -0.497 0.000 0.901 277 P HA -0.203 nan 4.420 nan 0.000 0.217 277 P C 1.444 178.687 177.300 -0.096 0.000 1.148 277 P CA 1.550 64.591 63.100 -0.098 0.000 0.834 277 P CB -0.554 31.127 31.700 -0.032 0.000 0.783 278 H N -1.682 117.355 119.070 -0.054 0.000 2.561 278 H HA 0.003 4.559 4.556 -0.000 0.000 0.278 278 H C 0.390 175.680 175.328 -0.064 0.000 1.014 278 H CA 0.116 56.136 56.048 -0.047 0.000 1.211 278 H CB -0.450 29.296 29.762 -0.027 0.000 1.365 278 H HN 0.058 nan 8.280 nan 0.000 0.594 279 I N 4.898 125.283 120.570 -0.308 0.000 2.452 279 I HA 0.128 4.298 4.170 -0.000 0.000 0.287 279 I C -1.901 174.089 176.117 -0.212 0.000 1.079 279 I CA -2.438 58.709 61.300 -0.255 0.000 1.387 279 I CB 0.640 38.417 38.000 -0.371 0.000 1.404 279 I HN 0.122 nan 8.210 nan 0.000 0.522 280 P HA 0.191 nan 4.420 nan 0.000 0.274 280 P C 0.796 177.958 177.300 -0.231 0.000 1.237 280 P CA -0.059 62.945 63.100 -0.160 0.000 0.793 280 P CB 0.627 32.253 31.700 -0.123 0.000 0.977 281 E N 2.480 122.566 120.200 -0.189 0.000 2.114 281 E HA -0.278 4.072 4.350 -0.000 0.000 0.199 281 E C 1.448 177.889 176.600 -0.265 0.000 1.008 281 E CA 2.142 58.422 56.400 -0.202 0.000 0.810 281 E CB -1.476 28.141 29.700 -0.138 0.000 0.739 281 E HN 0.743 nan 8.360 nan 0.000 0.456 282 N N 0.193 118.740 118.700 -0.255 0.000 2.396 282 N HA -0.019 4.720 4.740 -0.000 0.000 0.180 282 N C 1.500 176.703 175.510 -0.512 0.000 1.028 282 N CA 1.271 54.135 53.050 -0.310 0.000 0.893 282 N CB -0.071 38.285 38.487 -0.218 0.000 0.967 282 N HN 0.472 nan 8.380 nan 0.000 0.440 283 L N 0.049 120.972 121.223 -0.499 0.000 2.700 283 L HA 0.200 4.540 4.340 -0.000 0.000 0.234 283 L C 0.363 176.786 176.870 -0.745 0.000 1.156 283 L CA -0.026 54.442 54.840 -0.620 0.000 0.946 283 L CB 0.064 41.933 42.059 -0.317 0.000 1.216 283 L HN -0.045 nan 8.230 nan 0.000 0.493 284 Q N 0.762 120.117 119.800 -0.742 0.000 2.835 284 Q HA 0.229 4.569 4.340 -0.000 0.000 0.235 284 Q C -0.817 174.983 176.000 -0.332 0.000 1.313 284 Q CA -0.449 54.880 55.803 -0.790 0.000 1.053 284 Q CB 0.218 28.613 28.738 -0.572 0.000 1.443 284 Q HN 0.134 nan 8.270 nan 0.000 0.576 285 F N 1.155 121.105 119.950 0.000 0.000 2.529 285 F HA 0.170 4.696 4.527 -0.001 0.000 0.365 285 F C 0.822 176.751 175.800 0.215 0.000 1.102 285 F CA -0.409 57.662 58.000 0.119 0.000 1.271 285 F CB 0.618 39.694 39.000 0.126 0.000 1.120 285 F HN 0.301 nan 8.300 nan 0.000 0.579 286 A N 3.941 126.950 122.820 0.316 0.000 2.258 286 A HA 0.729 5.049 4.320 -0.000 0.000 0.316 286 A C -0.599 177.090 177.584 0.175 0.000 1.279 286 A CA -0.521 51.644 52.037 0.214 0.000 0.876 286 A CB 0.427 19.508 19.000 0.135 0.000 1.170 286 A HN 0.747 nan 8.150 nan 0.000 0.520 287 V N 0.176 120.167 119.914 0.129 0.000 3.155 287 V HA 0.876 4.996 4.120 -0.000 0.000 0.313 287 V C 1.171 177.247 176.094 -0.030 0.000 1.162 287 V CA -0.039 62.302 62.300 0.068 0.000 1.048 287 V CB 1.042 32.941 31.823 0.125 0.000 1.092 287 V HN 0.986 nan 8.190 nan 0.000 0.447 288 G N 0.304 109.049 108.800 -0.092 0.000 2.469 288 G HA2 -0.161 3.798 3.960 -0.000 0.000 0.220 288 G HA3 -0.161 3.798 3.960 -0.000 0.000 0.220 288 G C 0.721 175.490 174.900 -0.218 0.000 1.136 288 G CA 1.518 46.536 45.100 -0.137 0.000 0.759 288 G HN 1.094 nan 8.290 nan 0.000 0.562 289 Q N 0.204 119.765 119.800 -0.398 0.000 2.325 289 Q HA 0.455 4.794 4.340 -0.000 0.000 0.262 289 Q C 0.756 176.487 176.000 -0.448 0.000 0.968 289 Q CA -0.287 55.168 55.803 -0.581 0.000 0.877 289 Q CB 1.750 29.820 28.738 -1.113 0.000 1.253 289 Q HN 0.169 nan 8.270 nan 0.000 0.448 290 E N 2.343 122.382 120.200 -0.269 0.000 2.233 290 E HA -0.181 4.169 4.350 -0.000 0.000 0.199 290 E C 1.250 177.774 176.600 -0.125 0.000 1.004 290 E CA 1.835 58.142 56.400 -0.155 0.000 0.819 290 E CB -0.168 29.465 29.700 -0.111 0.000 0.738 290 E HN 0.601 nan 8.360 nan 0.000 0.478 291 V N -2.669 117.185 119.914 -0.100 0.000 3.621 291 V HA 0.110 4.230 4.120 -0.000 0.000 0.285 291 V C 1.207 177.419 176.094 0.196 0.000 1.346 291 V CA 0.142 62.468 62.300 0.043 0.000 1.104 291 V CB -0.412 31.474 31.823 0.105 0.000 0.913 291 V HN -0.015 nan 8.190 nan 0.000 0.432 292 F N 2.949 122.872 119.950 -0.045 0.000 2.546 292 F HA 0.249 4.776 4.527 -0.000 0.000 0.298 292 F C 2.340 178.110 175.800 -0.050 0.000 1.120 292 F CA 0.624 58.611 58.000 -0.021 0.000 1.456 292 F CB -1.235 37.784 39.000 0.032 0.000 1.088 292 F HN 0.383 nan 8.300 nan 0.000 0.572 293 G N -0.188 108.658 108.800 0.077 0.000 2.509 293 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 293 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 293 G C 1.789 176.663 174.900 -0.044 0.000 1.124 293 G CA 0.462 45.605 45.100 0.072 0.000 0.776 293 G HN 0.370 nan 8.290 nan 0.000 0.547 294 L N 0.467 121.495 121.223 -0.325 0.000 2.081 294 L HA 0.055 4.394 4.340 -0.000 0.000 0.212 294 L C 0.434 176.942 176.870 -0.603 0.000 1.080 294 L CA 1.368 55.637 54.840 -0.952 0.000 0.754 294 L CB 0.076 41.843 42.059 -0.486 0.000 0.893 294 L HN 0.004 nan 8.230 nan 0.000 0.433 295 V N -1.037 118.682 119.914 -0.324 0.000 2.623 295 V HA 0.313 4.433 4.120 -0.000 0.000 0.304 295 V C -1.754 174.107 176.094 -0.388 0.000 1.054 295 V CA -1.015 61.092 62.300 -0.322 0.000 0.882 295 V CB 1.395 33.149 31.823 -0.116 0.000 1.002 295 V HN -0.106 nan 8.190 nan 0.000 0.424 296 P HA -0.078 nan 4.420 nan 0.000 0.218 296 P C 1.639 178.772 177.300 -0.277 0.000 1.148 296 P CA 1.549 64.384 63.100 -0.442 0.000 0.822 296 P CB 0.289 31.660 31.700 -0.549 0.000 0.784 297 G N -0.305 108.199 108.800 -0.493 0.000 2.432 297 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.219 297 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.219 297 G C 1.457 176.016 174.900 -0.569 0.000 1.135 297 G CA 0.508 44.974 45.100 -1.057 0.000 0.767 297 G HN 0.239 nan 8.290 nan 0.000 0.550 298 L N -0.819 120.158 121.223 -0.409 0.000 2.072 298 L HA 0.067 4.407 4.340 -0.000 0.000 0.205 298 L C 2.758 179.495 176.870 -0.221 0.000 1.079 298 L CA 0.890 55.549 54.840 -0.302 0.000 0.752 298 L CB -0.305 41.477 42.059 -0.461 0.000 0.906 298 L HN 0.210 nan 8.230 nan 0.000 0.436 299 M N -0.406 119.072 119.600 -0.204 0.000 2.279 299 M HA -0.212 4.268 4.480 -0.000 0.000 0.264 299 M C 2.122 178.276 176.300 -0.242 0.000 1.062 299 M CA 1.575 56.767 55.300 -0.180 0.000 1.099 299 M CB -0.372 32.084 32.600 -0.242 0.000 1.394 299 M HN 0.190 nan 8.290 nan 0.000 0.426 300 M N -1.427 118.004 119.600 -0.282 0.000 2.067 300 M HA -0.277 4.203 4.480 -0.000 0.000 0.260 300 M C 1.738 177.859 176.300 -0.298 0.000 1.069 300 M CA 1.987 57.096 55.300 -0.319 0.000 1.117 300 M CB -0.402 32.055 32.600 -0.237 0.000 1.334 300 M HN 0.305 nan 8.290 nan 0.000 0.407 301 Y N 0.013 120.166 120.300 -0.245 0.000 2.293 301 Y HA -0.108 4.442 4.550 -0.000 0.000 0.291 301 Y C 2.572 178.305 175.900 -0.279 0.000 1.137 301 Y CA 1.109 58.995 58.100 -0.356 0.000 1.202 301 Y CB -0.437 37.612 38.460 -0.685 0.000 0.990 301 Y HN 0.428 nan 8.280 nan 0.000 0.537 302 A N -0.453 122.347 122.820 -0.032 0.000 1.940 302 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 302 A C 2.213 179.848 177.584 0.085 0.000 1.176 302 A CA 2.351 54.492 52.037 0.173 0.000 0.631 302 A CB -1.113 18.024 19.000 0.229 0.000 0.814 302 A HN 0.390 nan 8.150 nan 0.000 0.446 303 T N -0.038 114.496 114.554 -0.034 0.000 2.812 303 T HA 0.007 4.356 4.350 -0.000 0.000 0.264 303 T C 1.794 176.434 174.700 -0.100 0.000 1.042 303 T CA 1.267 63.317 62.100 -0.084 0.000 1.140 303 T CB -0.332 68.436 68.868 -0.167 0.000 0.870 303 T HN 0.409 nan 8.240 nan 0.000 0.445 304 I N -0.575 119.915 120.570 -0.134 0.000 2.226 304 I HA -0.175 3.995 4.170 -0.000 0.000 0.245 304 I C 2.147 178.180 176.117 -0.140 0.000 1.100 304 I CA 1.484 62.668 61.300 -0.194 0.000 1.374 304 I CB -0.224 37.607 38.000 -0.282 0.000 1.057 304 I HN 0.335 nan 8.210 nan 0.000 0.413 305 W N 0.339 121.636 121.300 -0.005 0.000 2.436 305 W HA -0.078 4.582 4.660 -0.000 0.000 0.284 305 W C 2.431 178.952 176.519 0.004 0.000 1.225 305 W CA 0.379 57.735 57.345 0.017 0.000 1.271 305 W CB -0.147 29.318 29.460 0.009 0.000 1.114 305 W HN 0.102 nan 8.180 nan 0.000 0.559 306 L N 0.800 122.139 121.223 0.194 0.000 2.046 306 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 306 L C 2.504 179.448 176.870 0.124 0.000 1.077 306 L CA 1.744 56.663 54.840 0.133 0.000 0.747 306 L CB -0.340 41.771 42.059 0.086 0.000 0.896 306 L HN -0.073 nan 8.230 nan 0.000 0.432 307 R N -0.405 120.111 120.500 0.027 0.000 2.081 307 R HA -0.232 4.108 4.340 -0.000 0.000 0.235 307 R C 2.224 178.531 176.300 0.013 0.000 1.131 307 R CA 1.637 57.714 56.100 -0.038 0.000 0.960 307 R CB -0.340 29.887 30.300 -0.121 0.000 0.856 307 R HN 0.363 nan 8.270 nan 0.000 0.436 308 E N 0.166 120.397 120.200 0.051 0.000 2.077 308 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 308 E C 1.744 178.449 176.600 0.176 0.000 0.989 308 E CA 1.769 58.222 56.400 0.089 0.000 0.800 308 E CB -0.200 29.557 29.700 0.096 0.000 0.746 308 E HN 0.428 nan 8.360 nan 0.000 0.452 309 H N -0.056 119.123 119.070 0.182 0.000 2.290 309 H HA -0.080 4.476 4.556 -0.000 0.000 0.298 309 H C 1.639 177.056 175.328 0.148 0.000 1.087 309 H CA 2.392 58.559 56.048 0.200 0.000 1.291 309 H CB -0.215 29.685 29.762 0.231 0.000 1.369 309 H HN 0.143 nan 8.280 nan 0.000 0.492 310 N N 0.149 118.935 118.700 0.144 0.000 2.309 310 N HA -0.115 4.624 4.740 -0.000 0.000 0.182 310 N C 1.971 177.472 175.510 -0.016 0.000 1.018 310 N CA 0.866 53.950 53.050 0.058 0.000 0.876 310 N CB -0.332 38.190 38.487 0.059 0.000 0.972 310 N HN 0.406 nan 8.380 nan 0.000 0.434 311 R N 0.595 121.087 120.500 -0.015 0.000 2.075 311 R HA -0.015 4.324 4.340 -0.000 0.000 0.232 311 R C 1.632 177.923 176.300 -0.015 0.000 1.126 311 R CA 0.923 57.009 56.100 -0.023 0.000 0.963 311 R CB -0.104 30.180 30.300 -0.026 0.000 0.858 311 R HN 0.002 nan 8.270 nan 0.000 0.435 312 V N 0.169 120.075 119.914 -0.014 0.000 2.358 312 V HA -0.291 3.828 4.120 -0.000 0.000 0.246 312 V C 2.519 178.607 176.094 -0.011 0.000 1.047 312 V CA 1.541 63.842 62.300 0.001 0.000 1.035 312 V CB -0.429 31.414 31.823 0.034 0.000 0.658 312 V HN 0.512 nan 8.190 nan 0.000 0.452 313 C N 0.171 119.427 119.300 -0.073 0.000 2.401 313 C HA -0.215 4.245 4.460 -0.000 0.000 0.276 313 C C 2.540 177.550 174.990 0.033 0.000 1.233 313 C CA 1.196 60.206 59.018 -0.013 0.000 1.753 313 C CB -1.087 26.637 27.740 -0.027 0.000 2.029 313 C HN 0.599 nan 8.230 nan 0.000 0.478 314 D N 0.545 120.952 120.400 0.013 0.000 2.097 314 D HA -0.083 4.557 4.640 -0.000 0.000 0.195 314 D C 1.915 178.216 176.300 0.001 0.000 0.989 314 D CA 1.191 55.198 54.000 0.012 0.000 0.827 314 D CB -0.391 40.407 40.800 -0.003 0.000 0.966 314 D HN 0.470 nan 8.370 nan 0.000 0.456 315 I N 0.454 121.022 120.570 -0.003 0.000 2.226 315 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 315 I C 2.403 178.503 176.117 -0.028 0.000 1.100 315 I CA 0.663 61.955 61.300 -0.015 0.000 1.374 315 I CB -0.085 37.913 38.000 -0.003 0.000 1.057 315 I HN -0.026 nan 8.210 nan 0.000 0.413 316 L N 0.452 121.681 121.223 0.010 0.000 2.093 316 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 316 L C 2.573 179.416 176.870 -0.045 0.000 1.085 316 L CA 1.291 56.138 54.840 0.010 0.000 0.755 316 L CB -0.522 41.629 42.059 0.154 0.000 0.904 316 L HN 0.228 nan 8.230 nan 0.000 0.435 317 K N 0.181 120.590 120.400 0.014 0.000 2.148 317 K HA -0.244 4.076 4.320 -0.000 0.000 0.204 317 K C 2.170 178.739 176.600 -0.052 0.000 1.050 317 K CA 1.297 57.594 56.287 0.017 0.000 0.942 317 K CB 0.019 32.554 32.500 0.057 0.000 0.724 317 K HN 0.249 nan 8.250 nan 0.000 0.446 318 Q N 0.105 119.863 119.800 -0.070 0.000 2.124 318 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 318 Q C 1.418 177.313 176.000 -0.175 0.000 0.977 318 Q CA 1.399 57.146 55.803 -0.094 0.000 0.850 318 Q CB 0.238 28.932 28.738 -0.073 0.000 0.901 318 Q HN 0.299 nan 8.270 nan 0.000 0.429 319 E N -0.404 119.628 120.200 -0.279 0.000 2.170 319 E HA -0.045 4.305 4.350 -0.000 0.000 0.191 319 E C 0.153 176.275 176.600 -0.797 0.000 0.981 319 E CA 0.813 56.897 56.400 -0.526 0.000 0.830 319 E CB 0.279 29.597 29.700 -0.636 0.000 0.775 319 E HN 0.418 nan 8.360 nan 0.000 0.470 320 H N 0.441 119.270 119.070 -0.401 0.000 2.423 320 H HA 0.180 4.736 4.556 -0.000 0.000 0.237 320 H C -1.822 173.360 175.328 -0.244 0.000 1.391 320 H CA -1.705 54.023 56.048 -0.534 0.000 1.453 320 H CB 1.225 30.136 29.762 -1.418 0.000 1.484 320 H HN 0.001 nan 8.280 nan 0.000 0.505 321 P HA -0.122 nan 4.420 nan 0.000 0.230 321 P C 1.321 178.669 177.300 0.081 0.000 1.158 321 P CA 0.843 63.954 63.100 0.019 0.000 0.769 321 P CB 0.508 32.207 31.700 -0.002 0.000 0.807 322 E N -1.400 118.862 120.200 0.104 0.000 2.371 322 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 322 E C 0.265 177.047 176.600 0.303 0.000 1.012 322 E CA 0.111 56.613 56.400 0.170 0.000 0.860 322 E CB -0.659 29.137 29.700 0.161 0.000 0.811 322 E HN 0.116 nan 8.360 nan 0.000 0.502 323 W N 2.001 123.348 121.300 0.078 0.000 2.137 323 W HA 0.483 5.143 4.660 -0.000 0.000 0.344 323 W C 1.199 177.753 176.519 0.058 0.000 1.286 323 W CA 0.056 57.430 57.345 0.049 0.000 1.240 323 W CB 0.399 29.887 29.460 0.047 0.000 1.141 323 W HN -0.008 nan 8.180 nan 0.000 0.579 324 G N 0.693 109.626 108.800 0.221 0.000 2.537 324 G HA2 0.108 4.067 3.960 -0.000 0.000 0.297 324 G HA3 0.108 4.067 3.960 -0.000 0.000 0.297 324 G C 0.297 175.294 174.900 0.162 0.000 1.310 324 G CA -0.102 45.088 45.100 0.149 0.000 1.027 324 G HN 0.468 nan 8.290 nan 0.000 0.505 325 D N -1.135 119.353 120.400 0.148 0.000 2.117 325 D HA -0.160 4.479 4.640 -0.000 0.000 0.197 325 D C 2.029 178.432 176.300 0.173 0.000 0.987 325 D CA 1.651 55.755 54.000 0.173 0.000 0.829 325 D CB 0.101 41.009 40.800 0.181 0.000 0.961 325 D HN 0.401 nan 8.370 nan 0.000 0.460 326 E N 0.209 120.482 120.200 0.122 0.000 2.047 326 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 326 E C 2.076 178.726 176.600 0.083 0.000 0.987 326 E CA 1.320 57.788 56.400 0.112 0.000 0.799 326 E CB -0.338 29.399 29.700 0.063 0.000 0.752 326 E HN 0.439 nan 8.360 nan 0.000 0.449 327 Q N -0.363 119.398 119.800 -0.066 0.000 2.119 327 Q HA -0.101 4.238 4.340 -0.000 0.000 0.201 327 Q C 2.236 178.158 176.000 -0.129 0.000 0.972 327 Q CA 1.280 56.907 55.803 -0.294 0.000 0.847 327 Q CB -0.081 28.182 28.738 -0.791 0.000 0.903 327 Q HN 0.353 nan 8.270 nan 0.000 0.433 328 L N -0.184 121.122 121.223 0.138 0.000 2.012 328 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 328 L C 2.318 179.328 176.870 0.232 0.000 1.073 328 L CA 1.335 56.361 54.840 0.310 0.000 0.748 328 L CB -0.561 41.694 42.059 0.327 0.000 0.891 328 L HN 0.316 nan 8.230 nan 0.000 0.431 329 F N 0.585 120.605 119.950 0.117 0.000 2.069 329 F HA -0.265 4.262 4.527 -0.001 0.000 0.298 329 F C 2.756 178.624 175.800 0.113 0.000 1.113 329 F CA 1.634 59.731 58.000 0.162 0.000 1.214 329 F CB -0.230 38.825 39.000 0.092 0.000 0.978 329 F HN 0.036 nan 8.300 nan 0.000 0.474 330 Q N -0.051 119.792 119.800 0.072 0.000 2.084 330 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 330 Q C 2.231 178.177 176.000 -0.091 0.000 0.978 330 Q CA 2.256 58.017 55.803 -0.071 0.000 0.844 330 Q CB -1.176 27.587 28.738 0.041 0.000 0.898 330 Q HN 0.435 nan 8.270 nan 0.000 0.426 331 T N 0.910 115.460 114.554 -0.006 0.000 2.867 331 T HA -0.056 4.294 4.350 -0.000 0.000 0.268 331 T C 2.162 176.956 174.700 0.157 0.000 1.057 331 T CA 1.236 63.403 62.100 0.111 0.000 1.136 331 T CB -0.081 68.930 68.868 0.239 0.000 0.874 331 T HN 0.177 nan 8.240 nan 0.000 0.466 332 S N 0.893 116.635 115.700 0.069 0.000 2.368 332 S HA -0.069 4.401 4.470 -0.000 0.000 0.224 332 S C 2.090 176.742 174.600 0.088 0.000 1.029 332 S CA 0.916 59.141 58.200 0.041 0.000 0.988 332 S CB -0.211 62.875 63.200 -0.190 0.000 0.838 332 S HN 0.446 nan 8.310 nan 0.000 0.462 333 R N 1.018 121.443 120.500 -0.126 0.000 2.083 333 R HA -0.055 4.285 4.340 -0.000 0.000 0.237 333 R C 2.124 178.465 176.300 0.068 0.000 1.137 333 R CA 1.304 57.278 56.100 -0.209 0.000 0.951 333 R CB -0.400 29.436 30.300 -0.773 0.000 0.851 333 R HN 0.350 nan 8.270 nan 0.000 0.434 334 L N 0.256 121.560 121.223 0.135 0.000 2.083 334 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 334 L C 2.449 179.589 176.870 0.452 0.000 1.083 334 L CA 1.188 56.230 54.840 0.338 0.000 0.752 334 L CB -0.337 41.954 42.059 0.386 0.000 0.899 334 L HN 0.290 nan 8.230 nan 0.000 0.433 335 I N -0.613 120.189 120.570 0.387 0.000 2.226 335 I HA -0.305 3.864 4.170 -0.000 0.000 0.245 335 I C 2.350 178.613 176.117 0.242 0.000 1.100 335 I CA 1.121 62.579 61.300 0.262 0.000 1.374 335 I CB -0.145 37.999 38.000 0.240 0.000 1.057 335 I HN 0.165 nan 8.210 nan 0.000 0.413 336 L N 0.232 121.622 121.223 0.278 0.000 2.083 336 L HA -0.179 4.160 4.340 -0.000 0.000 0.209 336 L C 2.296 179.291 176.870 0.209 0.000 1.083 336 L CA 1.735 56.760 54.840 0.308 0.000 0.752 336 L CB -0.473 41.804 42.059 0.365 0.000 0.899 336 L HN 0.155 nan 8.230 nan 0.000 0.433 337 I N -1.018 119.678 120.570 0.210 0.000 2.179 337 I HA -0.260 3.909 4.170 -0.000 0.000 0.242 337 I C 2.521 178.756 176.117 0.196 0.000 1.088 337 I CA 1.504 62.914 61.300 0.185 0.000 1.357 337 I CB -0.973 37.156 38.000 0.215 0.000 1.051 337 I HN 0.339 nan 8.210 nan 0.000 0.409 338 G N 0.192 109.144 108.800 0.253 0.000 2.459 338 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 338 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 338 G C 1.515 176.541 174.900 0.209 0.000 1.183 338 G CA 0.747 46.011 45.100 0.273 0.000 0.776 338 G HN 0.408 nan 8.290 nan 0.000 0.552 339 E N -0.222 120.119 120.200 0.234 0.000 2.097 339 E HA -0.135 4.215 4.350 -0.000 0.000 0.196 339 E C 2.793 179.574 176.600 0.302 0.000 1.000 339 E CA 1.555 58.127 56.400 0.287 0.000 0.804 339 E CB -0.259 29.687 29.700 0.411 0.000 0.740 339 E HN 0.376 nan 8.360 nan 0.000 0.454 340 T N 1.387 116.100 114.554 0.265 0.000 2.708 340 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 340 T C 2.025 176.755 174.700 0.051 0.000 1.037 340 T CA 0.983 63.209 62.100 0.210 0.000 1.146 340 T CB -0.199 68.695 68.868 0.043 0.000 0.865 340 T HN 0.116 nan 8.240 nan 0.000 0.435 341 I N 0.952 121.477 120.570 -0.076 0.000 2.179 341 I HA -0.185 3.984 4.170 -0.000 0.000 0.242 341 I C 2.580 178.399 176.117 -0.496 0.000 1.088 341 I CA 1.236 62.337 61.300 -0.331 0.000 1.357 341 I CB -0.352 37.319 38.000 -0.548 0.000 1.051 341 I HN 0.156 nan 8.210 nan 0.000 0.409 342 K N 1.888 122.020 120.400 -0.446 0.000 2.044 342 K HA -0.176 4.144 4.320 -0.000 0.000 0.210 342 K C 1.855 178.469 176.600 0.024 0.000 1.049 342 K CA 1.847 58.051 56.287 -0.139 0.000 0.927 342 K CB -0.442 32.166 32.500 0.180 0.000 0.713 342 K HN 0.270 nan 8.250 nan 0.000 0.443 343 I N -0.062 120.554 120.570 0.078 0.000 2.202 343 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 343 I C 2.082 178.257 176.117 0.096 0.000 1.091 343 I CA 0.933 62.308 61.300 0.124 0.000 1.368 343 I CB -0.216 37.916 38.000 0.220 0.000 1.058 343 I HN -0.027 nan 8.210 nan 0.000 0.410 344 V N 1.195 121.107 119.914 -0.003 0.000 2.332 344 V HA -0.295 3.824 4.120 -0.000 0.000 0.248 344 V C 2.240 178.398 176.094 0.106 0.000 1.055 344 V CA 1.945 64.189 62.300 -0.093 0.000 1.038 344 V CB -0.424 31.127 31.823 -0.452 0.000 0.651 344 V HN 0.346 nan 8.190 nan 0.000 0.450 345 I N -0.640 119.980 120.570 0.084 0.000 2.277 345 I HA -0.133 4.037 4.170 -0.000 0.000 0.243 345 I C 2.399 178.637 176.117 0.201 0.000 1.094 345 I CA 1.447 62.860 61.300 0.188 0.000 1.393 345 I CB -0.266 37.863 38.000 0.215 0.000 1.078 345 I HN 0.312 nan 8.210 nan 0.000 0.417 346 E N 0.097 120.396 120.200 0.166 0.000 2.400 346 E HA -0.082 4.267 4.350 -0.000 0.000 0.195 346 E C 0.992 177.680 176.600 0.147 0.000 1.012 346 E CA 0.476 56.961 56.400 0.141 0.000 0.875 346 E CB 0.341 30.116 29.700 0.124 0.000 0.859 346 E HN 0.452 nan 8.360 nan 0.000 0.498 347 D N -0.612 119.912 120.400 0.206 0.000 2.856 347 D HA -0.042 4.598 4.640 -0.000 0.000 0.283 347 D C 1.487 178.067 176.300 0.467 0.000 1.051 347 D CA 0.361 54.535 54.000 0.290 0.000 0.965 347 D CB -0.107 40.837 40.800 0.241 0.000 1.201 347 D HN 0.071 nan 8.370 nan 0.000 0.474 348 Y N 2.136 122.586 120.300 0.250 0.000 2.153 348 Y HA -0.135 4.414 4.550 -0.000 0.000 0.289 348 Y C 2.208 178.222 175.900 0.191 0.000 1.119 348 Y CA 1.336 59.475 58.100 0.065 0.000 1.116 348 Y CB -0.305 38.048 38.460 -0.179 0.000 1.004 348 Y HN -0.281 nan 8.280 nan 0.000 0.501 349 V N 0.762 120.876 119.914 0.333 0.000 2.407 349 V HA -0.297 3.822 4.120 -0.000 0.000 0.248 349 V C 2.289 178.419 176.094 0.061 0.000 1.055 349 V CA 2.052 64.465 62.300 0.188 0.000 1.049 349 V CB -0.896 31.053 31.823 0.210 0.000 0.662 349 V HN 0.414 nan 8.190 nan 0.000 0.455 350 Q N 0.645 120.508 119.800 0.106 0.000 2.045 350 Q HA -0.302 4.038 4.340 -0.000 0.000 0.206 350 Q C 2.167 178.143 176.000 -0.041 0.000 0.991 350 Q CA 2.754 58.579 55.803 0.036 0.000 0.851 350 Q CB -0.618 28.169 28.738 0.082 0.000 0.911 350 Q HN 0.849 nan 8.270 nan 0.000 0.418 351 H N -0.914 118.122 119.070 -0.058 0.000 2.319 351 H HA -0.123 4.432 4.556 -0.000 0.000 0.299 351 H C 1.636 176.787 175.328 -0.296 0.000 1.092 351 H CA 1.823 57.784 56.048 -0.144 0.000 1.302 351 H CB -0.452 29.256 29.762 -0.091 0.000 1.373 351 H HN 0.346 nan 8.280 nan 0.000 0.497 352 L N 0.652 121.608 121.223 -0.445 0.000 2.046 352 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 352 L C 2.768 179.366 176.870 -0.453 0.000 1.077 352 L CA 2.069 56.599 54.840 -0.516 0.000 0.747 352 L CB -1.280 40.673 42.059 -0.177 0.000 0.896 352 L HN 0.610 nan 8.230 nan 0.000 0.432 353 S N -0.771 114.672 115.700 -0.427 0.000 2.368 353 S HA -0.041 4.428 4.470 -0.000 0.000 0.225 353 S C 1.799 175.999 174.600 -0.668 0.000 1.030 353 S CA 1.160 58.936 58.200 -0.707 0.000 0.999 353 S CB -0.848 61.639 63.200 -1.189 0.000 0.844 353 S HN 0.786 nan 8.310 nan 0.000 0.459 354 G N -0.444 108.050 108.800 -0.510 0.000 2.159 354 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.256 354 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.256 354 G C -0.114 174.605 174.900 -0.301 0.000 0.977 354 G CA 0.357 45.233 45.100 -0.373 0.000 0.652 354 G HN 0.544 nan 8.290 nan 0.000 0.531 355 Y N 0.408 120.532 120.300 -0.294 0.000 2.397 355 Y HA 0.426 4.976 4.550 -0.001 0.000 0.335 355 Y C 1.783 177.464 175.900 -0.365 0.000 1.213 355 Y CA -0.674 57.206 58.100 -0.366 0.000 1.391 355 Y CB 0.419 38.745 38.460 -0.224 0.000 1.293 355 Y HN 0.205 nan 8.280 nan 0.000 0.557 356 H N 1.292 120.297 119.070 -0.108 0.000 2.512 356 H HA -0.048 4.508 4.556 -0.000 0.000 0.279 356 H C 0.248 175.531 175.328 -0.076 0.000 0.999 356 H CA 0.057 56.063 56.048 -0.070 0.000 1.283 356 H CB -0.063 29.732 29.762 0.054 0.000 1.421 356 H HN 0.480 nan 8.280 nan 0.000 0.554 357 F N 3.034 122.732 119.950 -0.421 0.000 2.538 357 F HA 0.136 4.663 4.527 -0.000 0.000 0.371 357 F C 0.411 176.180 175.800 -0.051 0.000 1.087 357 F CA -0.691 57.111 58.000 -0.330 0.000 1.250 357 F CB 0.555 39.060 39.000 -0.825 0.000 1.110 357 F HN -0.293 nan 8.300 nan 0.000 0.570 358 K N 8.408 128.344 120.400 -0.774 0.000 2.273 358 K HA 0.233 4.553 4.320 -0.000 0.000 0.287 358 K C -0.344 175.701 176.600 -0.925 0.000 1.089 358 K CA -0.330 55.594 56.287 -0.604 0.000 0.909 358 K CB 0.562 32.884 32.500 -0.297 0.000 1.123 358 K HN 0.667 nan 8.250 nan 0.000 0.473 359 L N 2.590 123.541 121.223 -0.454 0.000 2.483 359 L HA 0.101 4.441 4.340 -0.000 0.000 0.275 359 L C 0.575 177.399 176.870 -0.077 0.000 1.220 359 L CA 0.494 55.238 54.840 -0.160 0.000 0.833 359 L CB 0.057 42.189 42.059 0.122 0.000 1.102 359 L HN 0.464 nan 8.230 nan 0.000 0.490 360 K N 1.893 122.310 120.400 0.027 0.000 2.443 360 K HA 0.334 4.654 4.320 -0.000 0.000 0.252 360 K C -1.476 175.219 176.600 0.158 0.000 0.933 360 K CA -0.722 55.602 56.287 0.062 0.000 0.792 360 K CB 1.613 34.123 32.500 0.016 0.000 1.185 360 K HN 0.300 nan 8.250 nan 0.000 0.425 361 F N 4.330 124.289 119.950 0.016 0.000 2.375 361 F HA 0.334 4.860 4.527 -0.001 0.000 0.362 361 F C -0.913 174.854 175.800 -0.055 0.000 1.129 361 F CA -0.617 57.379 58.000 -0.006 0.000 1.154 361 F CB 0.621 39.641 39.000 0.034 0.000 1.205 361 F HN 0.509 nan 8.300 nan 0.000 0.513 362 D N 8.361 128.462 120.400 -0.499 0.000 2.351 362 D HA 0.299 4.939 4.640 -0.000 0.000 0.235 362 D C -2.257 173.638 176.300 -0.676 0.000 1.331 362 D CA -1.722 51.931 54.000 -0.578 0.000 0.959 362 D CB 1.720 42.365 40.800 -0.259 0.000 1.432 362 D HN 0.159 nan 8.370 nan 0.000 0.544 363 P HA -0.153 nan 4.420 nan 0.000 0.217 363 P C 0.860 177.513 177.300 -1.079 0.000 1.151 363 P CA 1.113 63.648 63.100 -0.941 0.000 0.849 363 P CB 0.339 31.197 31.700 -1.403 0.000 0.787 364 E N -0.743 118.803 120.200 -1.090 0.000 2.267 364 E HA -0.144 4.206 4.350 -0.000 0.000 0.197 364 E C 1.817 178.006 176.600 -0.685 0.000 0.998 364 E CA 0.619 56.285 56.400 -1.223 0.000 0.830 364 E CB -0.597 28.868 29.700 -0.393 0.000 0.751 364 E HN 0.322 nan 8.360 nan 0.000 0.491 365 L N 0.261 121.208 121.223 -0.461 0.000 2.191 365 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 365 L C 2.011 178.757 176.870 -0.206 0.000 1.103 365 L CA 0.820 55.503 54.840 -0.260 0.000 0.769 365 L CB -0.160 41.770 42.059 -0.214 0.000 0.908 365 L HN 0.185 nan 8.230 nan 0.000 0.438 366 L N -2.180 118.890 121.223 -0.255 0.000 2.607 366 L HA 0.042 4.382 4.340 -0.000 0.000 0.228 366 L C 1.886 178.884 176.870 0.214 0.000 1.123 366 L CA -0.330 54.463 54.840 -0.078 0.000 0.890 366 L CB -0.134 41.804 42.059 -0.202 0.000 1.103 366 L HN 0.089 nan 8.230 nan 0.000 0.468 367 F N 1.522 121.523 119.950 0.085 0.000 2.269 367 F HA -0.148 4.379 4.527 -0.000 0.000 0.301 367 F C 2.140 178.006 175.800 0.111 0.000 1.082 367 F CA 0.741 58.818 58.000 0.129 0.000 1.360 367 F CB -0.790 38.282 39.000 0.119 0.000 1.041 367 F HN 0.375 nan 8.300 nan 0.000 0.512 368 N N -0.527 118.329 118.700 0.260 0.000 2.268 368 N HA -0.024 4.715 4.740 -0.000 0.000 0.204 368 N C -0.067 175.522 175.510 0.132 0.000 1.124 368 N CA 0.162 53.313 53.050 0.169 0.000 0.838 368 N CB -0.152 38.412 38.487 0.128 0.000 0.994 368 N HN 0.162 nan 8.380 nan 0.000 0.489 369 Q N 0.422 120.310 119.800 0.147 0.000 2.348 369 Q HA 0.286 4.625 4.340 -0.000 0.000 0.271 369 Q C -0.507 175.581 176.000 0.147 0.000 1.067 369 Q CA -0.434 55.439 55.803 0.117 0.000 0.839 369 Q CB 1.913 30.697 28.738 0.076 0.000 1.354 369 Q HN 0.305 nan 8.270 nan 0.000 0.447 370 Q N 1.465 121.336 119.800 0.119 0.000 2.286 370 Q HA 0.339 4.679 4.340 -0.000 0.000 0.265 370 Q C -1.068 175.029 176.000 0.162 0.000 1.080 370 Q CA 0.348 56.218 55.803 0.111 0.000 0.906 370 Q CB 0.208 28.985 28.738 0.065 0.000 1.227 370 Q HN 0.334 nan 8.270 nan 0.000 0.409 371 F N 1.583 121.485 119.950 -0.079 0.000 2.615 371 F HA 0.203 4.730 4.527 -0.000 0.000 0.312 371 F C -1.309 174.311 175.800 -0.300 0.000 1.119 371 F CA -0.891 56.988 58.000 -0.202 0.000 0.979 371 F CB 1.821 40.642 39.000 -0.298 0.000 1.266 371 F HN 0.255 nan 8.300 nan 0.000 0.444 372 Q N 5.193 124.435 119.800 -0.930 0.000 2.331 372 Q HA 0.186 4.525 4.340 -0.000 0.000 0.257 372 Q C -1.221 174.354 176.000 -0.708 0.000 0.957 372 Q CA -0.284 55.153 55.803 -0.609 0.000 0.923 372 Q CB 0.934 29.430 28.738 -0.403 0.000 1.212 372 Q HN 0.638 nan 8.270 nan 0.000 0.443 373 Y N 2.778 123.044 120.300 -0.057 0.000 2.724 373 Y HA 0.071 4.621 4.550 -0.001 0.000 0.354 373 Y C 0.678 176.583 175.900 0.008 0.000 1.270 373 Y CA -0.128 58.019 58.100 0.078 0.000 1.902 373 Y CB 0.023 38.582 38.460 0.164 0.000 1.981 373 Y HN 0.399 nan 8.280 nan 0.000 0.428 374 Q N -0.325 119.484 119.800 0.015 0.000 2.522 374 Q HA 0.564 4.903 4.340 -0.000 0.000 0.285 374 Q C -1.926 174.048 176.000 -0.044 0.000 0.982 374 Q CA -1.267 54.537 55.803 0.002 0.000 0.805 374 Q CB 2.240 30.970 28.738 -0.013 0.000 1.457 374 Q HN 0.254 nan 8.270 nan 0.000 0.394 375 N N -0.306 118.373 118.700 -0.035 0.000 2.331 375 N HA 0.584 5.324 4.740 -0.000 0.000 0.280 375 N C -2.158 173.306 175.510 -0.076 0.000 1.155 375 N CA -0.534 52.489 53.050 -0.044 0.000 0.822 375 N CB 2.387 40.865 38.487 -0.015 0.000 1.619 375 N HN 0.602 nan 8.380 nan 0.000 0.476 376 R N 2.982 123.427 120.500 -0.091 0.000 2.502 376 R HA 0.505 4.844 4.340 -0.000 0.000 0.300 376 R C -1.026 175.295 176.300 0.036 0.000 0.984 376 R CA -0.573 55.418 56.100 -0.182 0.000 0.882 376 R CB 0.577 30.701 30.300 -0.294 0.000 1.180 376 R HN 0.527 nan 8.270 nan 0.000 0.444 377 I N 3.662 124.417 120.570 0.308 0.000 2.598 377 I HA 0.182 4.352 4.170 -0.000 0.000 0.284 377 I C 0.544 176.853 176.117 0.321 0.000 1.140 377 I CA 0.076 61.587 61.300 0.350 0.000 1.420 377 I CB 0.495 38.791 38.000 0.494 0.000 1.387 377 I HN 0.708 nan 8.210 nan 0.000 0.553 378 A N 4.876 127.763 122.820 0.112 0.000 2.331 378 A HA 0.283 4.603 4.320 -0.000 0.000 0.283 378 A C 1.286 178.779 177.584 -0.151 0.000 1.142 378 A CA -0.168 51.847 52.037 -0.037 0.000 0.812 378 A CB 0.838 19.674 19.000 -0.274 0.000 1.074 378 A HN 0.809 nan 8.150 nan 0.000 0.497 379 S N 1.187 116.809 115.700 -0.130 0.000 2.374 379 S HA -0.205 4.265 4.470 -0.000 0.000 0.227 379 S C 1.556 176.014 174.600 -0.236 0.000 1.037 379 S CA 2.448 60.486 58.200 -0.271 0.000 1.024 379 S CB -0.347 62.842 63.200 -0.020 0.000 0.861 379 S HN 0.791 nan 8.310 nan 0.000 0.456 380 E N 0.065 120.141 120.200 -0.206 0.000 2.204 380 E HA 0.014 4.363 4.350 -0.000 0.000 0.194 380 E C 1.579 178.046 176.600 -0.221 0.000 0.989 380 E CA 0.897 57.188 56.400 -0.183 0.000 0.824 380 E CB -0.354 29.255 29.700 -0.152 0.000 0.756 380 E HN 0.740 nan 8.360 nan 0.000 0.477 381 F N 1.194 120.728 119.950 -0.695 0.000 2.146 381 F HA -0.237 4.289 4.527 -0.000 0.000 0.298 381 F C 2.148 177.723 175.800 -0.375 0.000 1.096 381 F CA 0.818 58.490 58.000 -0.547 0.000 1.275 381 F CB 0.108 38.690 39.000 -0.696 0.000 1.008 381 F HN 0.047 nan 8.300 nan 0.000 0.480 382 N N 0.269 118.521 118.700 -0.746 0.000 2.043 382 N HA -0.180 4.560 4.740 -0.000 0.000 0.193 382 N C 1.637 176.712 175.510 -0.725 0.000 1.037 382 N CA 2.395 54.598 53.050 -1.412 0.000 0.851 382 N CB -0.773 36.980 38.487 -1.224 0.000 1.027 382 N HN 0.206 nan 8.380 nan 0.000 0.422 383 T N 1.235 115.466 114.554 -0.538 0.000 2.708 383 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 383 T C 1.794 176.295 174.700 -0.333 0.000 1.037 383 T CA 1.557 63.284 62.100 -0.621 0.000 1.146 383 T CB -0.401 68.260 68.868 -0.345 0.000 0.865 383 T HN 0.435 nan 8.240 nan 0.000 0.435 384 L N -1.389 119.748 121.223 -0.143 0.000 2.456 384 L HA 0.169 4.509 4.340 -0.000 0.000 0.224 384 L C 1.744 178.594 176.870 -0.033 0.000 1.148 384 L CA 1.385 56.223 54.840 -0.003 0.000 0.825 384 L CB -1.006 41.076 42.059 0.038 0.000 0.937 384 L HN 0.067 nan 8.230 nan 0.000 0.450 385 Y N 0.120 120.228 120.300 -0.321 0.000 2.468 385 Y HA 0.200 4.749 4.550 -0.000 0.000 0.268 385 Y C 0.858 176.454 175.900 -0.507 0.000 1.177 385 Y CA -0.441 57.230 58.100 -0.716 0.000 1.265 385 Y CB -0.410 37.598 38.460 -0.753 0.000 1.103 385 Y HN 0.342 nan 8.280 nan 0.000 0.522 386 H N -0.353 118.586 119.070 -0.219 0.000 3.220 386 H HA -0.071 4.484 4.556 -0.000 0.000 0.225 386 H C -0.446 174.793 175.328 -0.149 0.000 1.869 386 H CA -0.346 55.531 56.048 -0.284 0.000 1.428 386 H CB -0.411 29.169 29.762 -0.303 0.000 1.792 386 H HN 0.301 nan 8.280 nan 0.000 0.595 387 W N 1.668 122.937 121.300 -0.051 0.000 1.992 387 W HA 0.092 4.752 4.660 -0.000 0.000 0.449 387 W C 0.755 177.314 176.519 0.067 0.000 0.617 387 W CA -0.848 56.520 57.345 0.039 0.000 2.341 387 W CB -1.435 28.112 29.460 0.145 0.000 1.156 387 W HN 0.658 nan 8.180 nan 0.000 0.538 388 H N 0.715 120.020 119.070 0.391 0.000 2.387 388 H HA -0.152 4.404 4.556 -0.000 0.000 0.299 388 H C -0.492 174.975 175.328 0.232 0.000 1.099 388 H CA 1.578 57.793 56.048 0.278 0.000 1.315 388 H CB -1.191 28.719 29.762 0.247 0.000 1.380 388 H HN 0.042 nan 8.280 nan 0.000 0.513 389 P HA -0.112 nan 4.420 nan 0.000 0.225 389 P C 1.128 178.539 177.300 0.185 0.000 1.148 389 P CA 0.904 64.125 63.100 0.202 0.000 0.779 389 P CB 0.036 31.804 31.700 0.112 0.000 0.780 390 L N -1.516 119.833 121.223 0.211 0.000 2.127 390 L HA -0.121 4.219 4.340 -0.000 0.000 0.211 390 L C 1.114 178.082 176.870 0.162 0.000 1.089 390 L CA 0.679 55.629 54.840 0.183 0.000 0.757 390 L CB -0.690 41.518 42.059 0.248 0.000 0.899 390 L HN 0.017 nan 8.230 nan 0.000 0.434 391 L N 1.010 122.343 121.223 0.183 0.000 2.456 391 L HA 0.103 4.443 4.340 -0.000 0.000 0.272 391 L C -1.866 175.036 176.870 0.053 0.000 1.189 391 L CA -1.460 53.454 54.840 0.123 0.000 0.846 391 L CB -0.167 42.092 42.059 0.333 0.000 1.111 391 L HN -0.088 nan 8.230 nan 0.000 0.475 392 P HA 0.151 nan 4.420 nan 0.000 0.282 392 P C -0.484 176.549 177.300 -0.444 0.000 1.287 392 P CA -0.483 62.304 63.100 -0.521 0.000 0.792 392 P CB 1.098 32.375 31.700 -0.705 0.000 1.163 393 D N -1.176 118.932 120.400 -0.486 0.000 2.162 393 D HA -0.005 4.634 4.640 -0.000 0.000 0.203 393 D C 0.780 176.928 176.300 -0.253 0.000 0.967 393 D CA 1.593 55.468 54.000 -0.209 0.000 0.840 393 D CB -0.011 40.670 40.800 -0.198 0.000 0.972 393 D HN 0.522 nan 8.370 nan 0.000 0.482 394 T N -2.191 112.070 114.554 -0.488 0.000 2.896 394 T HA 0.578 4.927 4.350 -0.000 0.000 0.297 394 T C -0.749 173.518 174.700 -0.721 0.000 1.108 394 T CA -0.906 60.918 62.100 -0.461 0.000 1.004 394 T CB 1.401 70.143 68.868 -0.210 0.000 1.159 394 T HN -0.220 nan 8.240 nan 0.000 0.499 395 F N 1.931 121.692 119.950 -0.315 0.000 2.361 395 F HA 0.454 4.980 4.527 -0.000 0.000 0.364 395 F C 0.299 176.033 175.800 -0.109 0.000 1.120 395 F CA -1.040 56.757 58.000 -0.338 0.000 1.102 395 F CB 0.986 39.434 39.000 -0.920 0.000 1.183 395 F HN 0.418 nan 8.300 nan 0.000 0.476 396 N N 5.297 124.025 118.700 0.047 0.000 2.527 396 N HA 0.331 5.071 4.740 -0.000 0.000 0.236 396 N C -0.768 174.702 175.510 -0.067 0.000 0.999 396 N CA -0.203 52.825 53.050 -0.036 0.000 0.935 396 N CB 1.142 39.585 38.487 -0.074 0.000 1.132 396 N HN 0.362 nan 8.380 nan 0.000 0.511 397 I N 0.961 121.435 120.570 -0.159 0.000 2.362 397 I HA 0.221 4.391 4.170 -0.000 0.000 0.289 397 I C 1.219 177.165 176.117 -0.285 0.000 0.994 397 I CA -0.291 60.792 61.300 -0.361 0.000 1.158 397 I CB 0.975 38.598 38.000 -0.628 0.000 1.315 397 I HN 0.621 nan 8.210 nan 0.000 0.451 398 E N 3.590 123.680 120.200 -0.183 0.000 3.317 398 E HA -0.330 4.020 4.350 -0.000 0.000 0.436 398 E C 0.232 176.810 176.600 -0.037 0.000 1.571 398 E CA 2.410 58.780 56.400 -0.050 0.000 1.219 398 E CB -0.430 29.320 29.700 0.084 0.000 1.424 398 E HN 0.759 nan 8.360 nan 0.000 0.457 399 D N 0.153 120.555 120.400 0.003 0.000 2.366 399 D HA 0.041 4.680 4.640 -0.000 0.000 0.205 399 D C 0.093 176.348 176.300 -0.076 0.000 1.022 399 D CA 0.468 54.457 54.000 -0.018 0.000 0.868 399 D CB 0.207 41.016 40.800 0.016 0.000 0.953 399 D HN 0.115 nan 8.370 nan 0.000 0.514 400 Q N 0.605 120.326 119.800 -0.133 0.000 2.227 400 Q HA 0.374 4.713 4.340 -0.000 0.000 0.245 400 Q C -0.314 175.442 176.000 -0.406 0.000 0.926 400 Q CA 0.040 55.645 55.803 -0.329 0.000 0.895 400 Q CB 1.591 29.994 28.738 -0.558 0.000 1.230 400 Q HN 0.090 nan 8.270 nan 0.000 0.450 401 E N 1.690 121.633 120.200 -0.429 0.000 2.267 401 E HA 0.256 4.606 4.350 -0.000 0.000 0.248 401 E C -1.227 175.231 176.600 -0.238 0.000 0.899 401 E CA -0.272 55.960 56.400 -0.279 0.000 0.764 401 E CB 0.869 30.472 29.700 -0.161 0.000 1.227 401 E HN 0.366 nan 8.360 nan 0.000 0.421 402 Y N 1.251 121.597 120.300 0.076 0.000 2.316 402 Y HA 0.118 4.668 4.550 -0.000 0.000 0.331 402 Y C 1.233 177.231 175.900 0.163 0.000 1.083 402 Y CA -0.677 57.523 58.100 0.167 0.000 1.206 402 Y CB 1.005 39.650 38.460 0.309 0.000 1.195 402 Y HN 0.355 nan 8.280 nan 0.000 0.497 403 S N 1.502 117.401 115.700 0.332 0.000 2.596 403 S HA 0.096 4.566 4.470 -0.000 0.000 0.260 403 S C 0.895 175.751 174.600 0.427 0.000 1.336 403 S CA -0.495 57.888 58.200 0.305 0.000 0.993 403 S CB 0.315 63.672 63.200 0.263 0.000 0.923 403 S HN 0.577 nan 8.310 nan 0.000 0.567 404 F N 0.930 121.089 119.950 0.349 0.000 2.126 404 F HA -0.048 4.479 4.527 -0.000 0.000 0.299 404 F C 2.611 178.610 175.800 0.331 0.000 1.096 404 F CA 2.028 60.280 58.000 0.420 0.000 1.255 404 F CB -0.332 38.850 39.000 0.303 0.000 0.997 404 F HN 0.685 nan 8.300 nan 0.000 0.479 405 K N 0.199 120.862 120.400 0.439 0.000 2.097 405 K HA -0.218 4.101 4.320 -0.000 0.000 0.206 405 K C 1.909 178.676 176.600 0.278 0.000 1.049 405 K CA 1.631 58.104 56.287 0.310 0.000 0.933 405 K CB -0.134 32.507 32.500 0.234 0.000 0.717 405 K HN 0.352 nan 8.250 nan 0.000 0.442 406 Q N -1.002 118.982 119.800 0.306 0.000 2.245 406 Q HA -0.097 4.243 4.340 -0.000 0.000 0.201 406 Q C 1.721 177.857 176.000 0.226 0.000 0.955 406 Q CA 0.909 56.879 55.803 0.279 0.000 0.870 406 Q CB 0.031 29.000 28.738 0.385 0.000 0.945 406 Q HN 0.249 nan 8.270 nan 0.000 0.461 407 F N 0.750 120.744 119.950 0.073 0.000 2.179 407 F HA 0.050 4.577 4.527 -0.000 0.000 0.292 407 F C 0.501 176.247 175.800 -0.090 0.000 1.089 407 F CA -0.026 57.910 58.000 -0.108 0.000 1.295 407 F CB 0.150 38.985 39.000 -0.276 0.000 1.041 407 F HN -0.043 nan 8.300 nan 0.000 0.487 408 L N 1.221 122.513 121.223 0.114 0.000 2.601 408 L HA -0.112 4.228 4.340 -0.000 0.000 0.277 408 L C -0.245 176.679 176.870 0.089 0.000 1.219 408 L CA 0.709 55.572 54.840 0.038 0.000 0.915 408 L CB -1.032 41.144 42.059 0.196 0.000 1.160 408 L HN 0.385 nan 8.230 nan 0.000 0.494 409 Y N 0.877 121.177 120.300 -0.000 0.000 4.604 409 Y HA -0.297 4.253 4.550 -0.001 0.000 0.230 409 Y C 0.819 176.735 175.900 0.027 0.000 1.066 409 Y CA 0.795 58.927 58.100 0.052 0.000 1.990 409 Y CB -1.580 36.940 38.460 0.099 0.000 1.619 409 Y HN 0.734 nan 8.280 nan 0.000 0.649 410 N N 0.988 119.690 118.700 0.003 0.000 3.044 410 N HA 0.208 4.948 4.740 -0.000 0.000 0.254 410 N C 0.464 175.898 175.510 -0.126 0.000 1.253 410 N CA -0.150 52.877 53.050 -0.039 0.000 0.944 410 N CB 0.053 38.493 38.487 -0.078 0.000 1.217 410 N HN 0.164 nan 8.380 nan 0.000 0.498 411 N N 0.015 118.700 118.700 -0.024 0.000 2.515 411 N HA -0.027 4.713 4.740 -0.000 0.000 0.185 411 N C 1.051 176.538 175.510 -0.038 0.000 1.109 411 N CA 0.318 53.353 53.050 -0.025 0.000 0.903 411 N CB 0.310 38.917 38.487 0.200 0.000 0.969 411 N HN 0.317 nan 8.380 nan 0.000 0.450 412 S N 1.070 116.751 115.700 -0.033 0.000 2.400 412 S HA -0.001 4.469 4.470 -0.000 0.000 0.232 412 S C 1.977 176.563 174.600 -0.022 0.000 1.025 412 S CA 0.514 58.694 58.200 -0.034 0.000 0.993 412 S CB -0.043 63.147 63.200 -0.017 0.000 0.808 412 S HN 0.328 nan 8.310 nan 0.000 0.478 413 I N 0.782 121.333 120.570 -0.031 0.000 2.226 413 I HA -0.189 3.980 4.170 -0.000 0.000 0.245 413 I C 2.267 178.530 176.117 0.243 0.000 1.100 413 I CA 0.814 62.167 61.300 0.089 0.000 1.374 413 I CB -0.281 37.638 38.000 -0.136 0.000 1.057 413 I HN 0.254 nan 8.210 nan 0.000 0.413 414 L N 0.676 121.860 121.223 -0.065 0.000 2.027 414 L HA -0.162 4.178 4.340 -0.000 0.000 0.206 414 L C 2.275 179.000 176.870 -0.242 0.000 1.074 414 L CA 1.857 56.421 54.840 -0.459 0.000 0.745 414 L CB -0.473 41.195 42.059 -0.652 0.000 0.898 414 L HN 0.125 nan 8.230 nan 0.000 0.433 415 L N -1.058 120.049 121.223 -0.192 0.000 2.093 415 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 415 L C 2.617 179.460 176.870 -0.045 0.000 1.085 415 L CA 0.898 55.644 54.840 -0.158 0.000 0.755 415 L CB -0.776 41.174 42.059 -0.182 0.000 0.904 415 L HN 0.294 nan 8.230 nan 0.000 0.435 416 E N -0.187 119.996 120.200 -0.029 0.000 2.051 416 E HA -0.198 4.151 4.350 -0.000 0.000 0.192 416 E C 2.174 178.703 176.600 -0.117 0.000 0.991 416 E CA 1.357 57.706 56.400 -0.085 0.000 0.799 416 E CB -0.071 29.550 29.700 -0.132 0.000 0.748 416 E HN 0.599 nan 8.360 nan 0.000 0.449 417 H N -0.845 118.301 119.070 0.126 0.000 2.431 417 H HA 0.180 4.736 4.556 -0.000 0.000 0.295 417 H C 1.208 176.607 175.328 0.118 0.000 1.038 417 H CA 1.000 57.145 56.048 0.161 0.000 1.360 417 H CB 0.616 30.549 29.762 0.284 0.000 1.433 417 H HN 0.213 nan 8.280 nan 0.000 0.536 418 G N 0.636 109.543 108.800 0.179 0.000 2.707 418 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.686 418 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.686 418 G C 0.509 175.421 174.900 0.019 0.000 1.315 418 G CA -0.200 44.949 45.100 0.081 0.000 0.832 418 G HN 0.147 nan 8.290 nan 0.000 0.573 419 L N 0.589 121.773 121.223 -0.066 0.000 2.056 419 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 419 L C 3.219 180.077 176.870 -0.020 0.000 1.078 419 L CA 2.892 57.665 54.840 -0.112 0.000 0.749 419 L CB -1.693 40.258 42.059 -0.181 0.000 0.901 419 L HN 0.854 nan 8.230 nan 0.000 0.433 420 T N -0.903 113.644 114.554 -0.012 0.000 2.652 420 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 420 T C 1.914 176.632 174.700 0.030 0.000 1.039 420 T CA 1.112 63.211 62.100 -0.002 0.000 1.153 420 T CB -0.087 68.779 68.868 -0.003 0.000 0.863 420 T HN 0.228 nan 8.240 nan 0.000 0.428 421 Q N -0.151 119.693 119.800 0.072 0.000 2.170 421 Q HA 0.031 4.371 4.340 -0.000 0.000 0.203 421 Q C 2.094 178.083 176.000 -0.018 0.000 0.976 421 Q CA 1.114 56.955 55.803 0.062 0.000 0.858 421 Q CB -0.527 28.296 28.738 0.141 0.000 0.907 421 Q HN 0.497 nan 8.270 nan 0.000 0.433 422 F N -0.147 119.670 119.950 -0.221 0.000 2.102 422 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 422 F C 2.411 177.974 175.800 -0.394 0.000 1.105 422 F CA 0.852 58.582 58.000 -0.451 0.000 1.239 422 F CB -0.484 38.297 39.000 -0.366 0.000 0.991 422 F HN -0.151 nan 8.300 nan 0.000 0.474 423 V N -0.294 119.619 119.914 -0.001 0.000 2.307 423 V HA -0.268 3.852 4.120 -0.000 0.000 0.245 423 V C 2.138 178.248 176.094 0.027 0.000 1.045 423 V CA 2.037 64.350 62.300 0.021 0.000 1.024 423 V CB -0.606 31.210 31.823 -0.011 0.000 0.651 423 V HN 0.293 nan 8.190 nan 0.000 0.449 424 E N 0.063 120.263 120.200 0.000 0.000 2.077 424 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 424 E C 2.416 179.016 176.600 0.001 0.000 0.989 424 E CA 1.647 58.056 56.400 0.015 0.000 0.800 424 E CB -0.200 29.509 29.700 0.014 0.000 0.746 424 E HN 0.507 nan 8.360 nan 0.000 0.452 425 S N 0.276 115.928 115.700 -0.081 0.000 2.355 425 S HA -0.081 4.388 4.470 -0.000 0.000 0.222 425 S C 1.595 176.239 174.600 0.074 0.000 1.031 425 S CA 0.767 58.909 58.200 -0.096 0.000 0.993 425 S CB -0.172 62.852 63.200 -0.293 0.000 0.859 425 S HN 0.175 nan 8.310 nan 0.000 0.453 426 F N 2.264 122.223 119.950 0.015 0.000 2.293 426 F HA 0.003 4.530 4.527 -0.000 0.000 0.300 426 F C 2.661 178.523 175.800 0.104 0.000 1.086 426 F CA 0.469 58.522 58.000 0.089 0.000 1.375 426 F CB -1.726 37.383 39.000 0.181 0.000 1.045 426 F HN 0.144 nan 8.300 nan 0.000 0.516 427 T N 0.471 115.181 114.554 0.259 0.000 2.833 427 T HA -0.182 4.168 4.350 -0.000 0.000 0.269 427 T C 1.891 176.662 174.700 0.119 0.000 1.054 427 T CA 1.498 63.697 62.100 0.166 0.000 1.135 427 T CB -0.212 68.722 68.868 0.108 0.000 0.869 427 T HN 0.387 nan 8.240 nan 0.000 0.466 428 R N 1.035 121.597 120.500 0.104 0.000 2.334 428 R HA 0.278 4.618 4.340 -0.000 0.000 0.212 428 R C 1.051 177.392 176.300 0.067 0.000 0.897 428 R CA -0.134 56.005 56.100 0.065 0.000 1.056 428 R CB 0.107 30.428 30.300 0.036 0.000 1.046 428 R HN 0.274 nan 8.270 nan 0.000 0.513 429 Q N 1.881 121.744 119.800 0.103 0.000 2.294 429 Q HA 0.241 4.580 4.340 -0.000 0.000 0.257 429 Q C -0.693 175.348 176.000 0.068 0.000 0.955 429 Q CA -0.491 55.356 55.803 0.074 0.000 0.936 429 Q CB 1.043 29.837 28.738 0.093 0.000 1.188 429 Q HN 0.299 nan 8.270 nan 0.000 0.420 430 I N 3.060 123.668 120.570 0.064 0.000 2.696 430 I HA 0.251 4.421 4.170 -0.000 0.000 0.284 430 I C -0.175 176.028 176.117 0.144 0.000 1.129 430 I CA 0.112 61.470 61.300 0.097 0.000 1.410 430 I CB 0.894 38.964 38.000 0.115 0.000 1.399 430 I HN 0.828 nan 8.210 nan 0.000 0.579 431 A N 5.031 127.932 122.820 0.134 0.000 2.256 431 A HA 0.731 5.050 4.320 -0.000 0.000 0.318 431 A C 0.133 177.833 177.584 0.192 0.000 1.103 431 A CA -0.150 51.983 52.037 0.160 0.000 0.860 431 A CB 0.553 19.618 19.000 0.108 0.000 1.182 431 A HN 0.828 nan 8.150 nan 0.000 0.501 432 G N -0.492 108.430 108.800 0.203 0.000 2.507 432 G HA2 0.470 4.429 3.960 -0.000 0.000 0.271 432 G HA3 0.470 4.429 3.960 -0.000 0.000 0.271 432 G C 0.074 174.899 174.900 -0.125 0.000 1.189 432 G CA -0.601 44.495 45.100 -0.007 0.000 0.859 432 G HN 0.826 nan 8.290 nan 0.000 0.542 433 R N 0.811 121.172 120.500 -0.231 0.000 2.389 433 R HA 0.244 4.584 4.340 -0.000 0.000 0.295 433 R C 0.952 177.155 176.300 -0.162 0.000 1.075 433 R CA -0.529 55.431 56.100 -0.232 0.000 1.005 433 R CB 0.981 31.135 30.300 -0.243 0.000 0.987 433 R HN 0.267 nan 8.270 nan 0.000 0.452 434 V N 3.669 123.472 119.914 -0.185 0.000 2.331 434 V HA 0.009 4.129 4.120 -0.000 0.000 0.242 434 V C 1.041 177.100 176.094 -0.059 0.000 1.034 434 V CA 1.643 63.892 62.300 -0.085 0.000 1.027 434 V CB -0.469 31.309 31.823 -0.074 0.000 0.667 434 V HN 0.895 nan 8.190 nan 0.000 0.457 435 A N -0.582 122.205 122.820 -0.055 0.000 2.296 435 A HA 0.530 4.850 4.320 -0.000 0.000 0.264 435 A C 1.403 178.936 177.584 -0.085 0.000 1.097 435 A CA 0.551 52.555 52.037 -0.055 0.000 0.811 435 A CB 0.088 19.075 19.000 -0.022 0.000 1.072 435 A HN 1.382 nan 8.150 nan 0.000 0.495 436 G N -1.312 107.441 108.800 -0.078 0.000 2.195 436 G HA2 0.382 4.342 3.960 -0.000 0.000 0.224 436 G HA3 0.382 4.342 3.960 -0.000 0.000 0.224 436 G C 1.538 176.395 174.900 -0.072 0.000 0.990 436 G CA 0.555 45.607 45.100 -0.080 0.000 0.639 436 G HN 3.083 nan 8.290 nan 0.000 0.514 437 G N -0.484 108.275 108.800 -0.068 0.000 2.712 437 G HA2 0.305 4.265 3.960 -0.000 0.000 0.686 437 G HA3 0.305 4.265 3.960 -0.000 0.000 0.686 437 G C 0.246 175.119 174.900 -0.044 0.000 1.321 437 G CA 0.305 45.373 45.100 -0.053 0.000 0.813 437 G HN 1.686 nan 8.290 nan 0.000 0.599 438 R N -0.857 119.627 120.500 -0.027 0.000 3.264 438 R HA -0.219 4.121 4.340 -0.000 0.000 0.251 438 R C 0.477 176.771 176.300 -0.011 0.000 0.971 438 R CA 1.072 57.163 56.100 -0.015 0.000 0.658 438 R CB -1.272 29.015 30.300 -0.020 0.000 1.095 438 R HN 0.744 nan 8.270 nan 0.000 0.443 439 N N -0.831 117.871 118.700 0.004 0.000 2.142 439 N HA 0.086 4.825 4.740 -0.000 0.000 0.233 439 N C -0.885 174.671 175.510 0.077 0.000 1.335 439 N CA -0.018 53.044 53.050 0.020 0.000 0.837 439 N CB 1.206 39.673 38.487 -0.033 0.000 1.238 439 N HN 0.065 nan 8.380 nan 0.000 0.501 440 V N 3.706 123.668 119.914 0.080 0.000 2.427 440 V HA 0.310 4.430 4.120 -0.000 0.000 0.268 440 V C -1.939 174.194 176.094 0.065 0.000 1.046 440 V CA -1.220 61.145 62.300 0.108 0.000 0.970 440 V CB 0.876 32.767 31.823 0.113 0.000 1.001 440 V HN 0.126 nan 8.190 nan 0.000 0.476 441 P HA 0.158 nan 4.420 nan 0.000 0.268 441 P C 1.035 178.275 177.300 -0.101 0.000 1.204 441 P CA 0.073 63.170 63.100 -0.005 0.000 0.768 441 P CB 1.059 32.757 31.700 -0.004 0.000 0.842 442 I N 2.153 122.667 120.570 -0.093 0.000 2.454 442 I HA -0.278 3.892 4.170 -0.000 0.000 0.254 442 I C 2.344 178.358 176.117 -0.172 0.000 1.156 442 I CA 1.462 62.703 61.300 -0.099 0.000 1.433 442 I CB -0.443 37.525 38.000 -0.054 0.000 1.082 442 I HN 0.373 nan 8.210 nan 0.000 0.432 443 A N 0.446 123.075 122.820 -0.318 0.000 1.940 443 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 443 A C 1.936 179.296 177.584 -0.372 0.000 1.176 443 A CA 2.014 53.776 52.037 -0.458 0.000 0.631 443 A CB -0.759 17.586 19.000 -1.092 0.000 0.814 443 A HN 0.389 nan 8.150 nan 0.000 0.446 444 V N -2.832 116.873 119.914 -0.348 0.000 3.099 444 V HA 0.183 4.303 4.120 -0.000 0.000 0.356 444 V C 1.380 177.362 176.094 -0.186 0.000 1.364 444 V CA 0.545 62.713 62.300 -0.219 0.000 1.229 444 V CB -0.445 31.276 31.823 -0.170 0.000 1.227 444 V HN 0.576 nan 8.190 nan 0.000 0.493 445 Q N 1.493 121.209 119.800 -0.140 0.000 2.112 445 Q HA -0.248 4.091 4.340 -0.000 0.000 0.206 445 Q C 2.170 178.120 176.000 -0.083 0.000 0.987 445 Q CA 2.737 58.486 55.803 -0.091 0.000 0.858 445 Q CB -0.131 28.568 28.738 -0.065 0.000 0.905 445 Q HN 0.808 nan 8.270 nan 0.000 0.420 446 A N -0.441 122.330 122.820 -0.081 0.000 1.969 446 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 446 A C 2.132 179.668 177.584 -0.079 0.000 1.169 446 A CA 1.322 53.322 52.037 -0.062 0.000 0.635 446 A CB -0.387 18.586 19.000 -0.045 0.000 0.810 446 A HN 0.299 nan 8.150 nan 0.000 0.445 447 V N -0.192 119.644 119.914 -0.131 0.000 2.358 447 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 447 V C 3.017 178.997 176.094 -0.191 0.000 1.047 447 V CA 1.756 63.958 62.300 -0.163 0.000 1.035 447 V CB -1.291 30.399 31.823 -0.222 0.000 0.658 447 V HN 0.577 nan 8.190 nan 0.000 0.452 448 A N -0.131 122.524 122.820 -0.275 0.000 1.902 448 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 448 A C 2.366 179.985 177.584 0.059 0.000 1.181 448 A CA 2.168 54.188 52.037 -0.028 0.000 0.623 448 A CB -0.497 18.533 19.000 0.051 0.000 0.818 448 A HN 0.496 nan 8.150 nan 0.000 0.443 449 K N -0.341 120.062 120.400 0.005 0.000 2.097 449 K HA -0.091 4.229 4.320 -0.000 0.000 0.206 449 K C 2.134 178.720 176.600 -0.024 0.000 1.049 449 K CA 1.147 57.439 56.287 0.008 0.000 0.933 449 K CB -0.302 32.194 32.500 -0.006 0.000 0.717 449 K HN 0.382 nan 8.250 nan 0.000 0.442 450 A N 0.577 123.373 122.820 -0.040 0.000 1.933 450 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 450 A C 2.102 179.627 177.584 -0.097 0.000 1.175 450 A CA 1.930 53.937 52.037 -0.049 0.000 0.628 450 A CB -0.458 18.523 19.000 -0.031 0.000 0.814 450 A HN 0.347 nan 8.150 nan 0.000 0.444 451 S N -0.059 115.551 115.700 -0.150 0.000 2.382 451 S HA -0.105 4.365 4.470 -0.000 0.000 0.228 451 S C 1.765 176.097 174.600 -0.447 0.000 1.027 451 S CA 1.487 59.433 58.200 -0.423 0.000 0.991 451 S CB -0.467 62.214 63.200 -0.866 0.000 0.823 451 S HN 0.577 nan 8.310 nan 0.000 0.469 452 I N 1.705 122.144 120.570 -0.218 0.000 2.233 452 I HA -0.159 4.010 4.170 -0.000 0.000 0.243 452 I C 2.049 178.108 176.117 -0.098 0.000 1.093 452 I CA 1.110 62.366 61.300 -0.072 0.000 1.380 452 I CB -0.448 37.593 38.000 0.068 0.000 1.067 452 I HN 0.127 nan 8.210 nan 0.000 0.413 453 D N 0.662 121.015 120.400 -0.078 0.000 2.117 453 D HA -0.199 4.441 4.640 -0.000 0.000 0.197 453 D C 2.264 178.512 176.300 -0.087 0.000 0.987 453 D CA 1.324 55.288 54.000 -0.059 0.000 0.829 453 D CB -0.269 40.508 40.800 -0.037 0.000 0.961 453 D HN 0.413 nan 8.370 nan 0.000 0.460 454 Q N 0.139 119.862 119.800 -0.128 0.000 2.119 454 Q HA -0.044 4.295 4.340 -0.000 0.000 0.201 454 Q C 2.323 178.175 176.000 -0.247 0.000 0.972 454 Q CA 0.946 56.666 55.803 -0.138 0.000 0.847 454 Q CB 0.039 28.706 28.738 -0.119 0.000 0.903 454 Q HN 0.076 nan 8.270 nan 0.000 0.433 455 S N 0.613 116.058 115.700 -0.424 0.000 2.365 455 S HA -0.201 4.269 4.470 -0.000 0.000 0.225 455 S C 1.797 176.199 174.600 -0.330 0.000 1.039 455 S CA 1.376 59.132 58.200 -0.739 0.000 1.033 455 S CB -0.154 62.629 63.200 -0.696 0.000 0.887 455 S HN 0.321 nan 8.310 nan 0.000 0.447 456 R N 0.770 121.185 120.500 -0.142 0.000 2.075 456 R HA -0.001 4.339 4.340 -0.000 0.000 0.232 456 R C 2.479 178.786 176.300 0.013 0.000 1.126 456 R CA 1.133 57.223 56.100 -0.018 0.000 0.963 456 R CB -0.238 30.061 30.300 -0.001 0.000 0.858 456 R HN 0.481 nan 8.270 nan 0.000 0.435 457 E N 0.811 121.007 120.200 -0.008 0.000 2.085 457 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 457 E C 1.544 178.185 176.600 0.068 0.000 0.994 457 E CA 1.149 57.567 56.400 0.030 0.000 0.801 457 E CB 0.097 29.809 29.700 0.021 0.000 0.743 457 E HN 0.285 nan 8.360 nan 0.000 0.453 458 M N 0.404 120.044 119.600 0.065 0.000 2.628 458 M HA 0.015 4.494 4.480 -0.000 0.000 0.232 458 M C -0.296 176.143 176.300 0.232 0.000 1.128 458 M CA 0.356 55.750 55.300 0.158 0.000 1.040 458 M CB 0.391 33.116 32.600 0.209 0.000 1.608 458 M HN -0.129 nan 8.290 nan 0.000 0.507 459 K N -0.028 120.480 120.400 0.179 0.000 3.148 459 K HA -0.198 4.122 4.320 -0.000 0.000 0.267 459 K C -1.214 175.542 176.600 0.261 0.000 0.996 459 K CA 0.670 57.060 56.287 0.172 0.000 0.737 459 K CB -2.511 30.054 32.500 0.108 0.000 1.308 459 K HN 0.294 nan 8.250 nan 0.000 0.470 460 Y N 1.417 121.763 120.300 0.077 0.000 2.610 460 Y HA -0.036 4.513 4.550 -0.000 0.000 0.332 460 Y C 1.815 177.817 175.900 0.169 0.000 1.201 460 Y CA 0.133 58.322 58.100 0.149 0.000 1.465 460 Y CB 0.449 38.979 38.460 0.117 0.000 1.283 460 Y HN 0.161 nan 8.280 nan 0.000 0.563 461 Q N 1.181 121.157 119.800 0.294 0.000 2.535 461 Q HA 0.202 4.542 4.340 -0.000 0.000 0.228 461 Q C 0.379 176.571 176.000 0.319 0.000 1.062 461 Q CA -0.266 55.637 55.803 0.168 0.000 0.967 461 Q CB 0.484 29.158 28.738 -0.106 0.000 1.273 461 Q HN 0.792 nan 8.270 nan 0.000 0.554 462 S N 0.026 115.836 115.700 0.183 0.000 2.589 462 S HA -0.010 4.460 4.470 -0.000 0.000 0.265 462 S C 0.979 175.738 174.600 0.265 0.000 1.342 462 S CA -0.568 57.745 58.200 0.187 0.000 1.005 462 S CB 0.491 63.746 63.200 0.091 0.000 0.909 462 S HN 0.662 nan 8.310 nan 0.000 0.555 463 L N 1.536 122.871 121.223 0.186 0.000 2.021 463 L HA -0.168 4.172 4.340 -0.000 0.000 0.215 463 L C 1.996 178.964 176.870 0.162 0.000 1.074 463 L CA 2.173 57.119 54.840 0.176 0.000 0.760 463 L CB -1.280 40.832 42.059 0.087 0.000 0.889 463 L HN 0.753 nan 8.230 nan 0.000 0.433 464 N N -0.319 118.433 118.700 0.086 0.000 2.244 464 N HA -0.148 4.592 4.740 -0.000 0.000 0.183 464 N C 1.735 177.253 175.510 0.014 0.000 1.016 464 N CA 1.181 54.251 53.050 0.033 0.000 0.866 464 N CB -0.225 38.258 38.487 -0.007 0.000 0.980 464 N HN 0.492 nan 8.380 nan 0.000 0.430 465 E N -0.028 120.179 120.200 0.011 0.000 2.072 465 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 465 E C 1.807 178.347 176.600 -0.100 0.000 0.985 465 E CA 0.876 57.225 56.400 -0.085 0.000 0.801 465 E CB -0.499 29.105 29.700 -0.159 0.000 0.750 465 E HN 0.524 nan 8.360 nan 0.000 0.452 466 Y N 1.054 121.385 120.300 0.052 0.000 2.242 466 Y HA -0.111 4.439 4.550 -0.000 0.000 0.291 466 Y C 2.621 178.631 175.900 0.183 0.000 1.137 466 Y CA 1.203 59.385 58.100 0.137 0.000 1.181 466 Y CB -0.047 38.489 38.460 0.127 0.000 0.989 466 Y HN -0.025 nan 8.280 nan 0.000 0.527 467 R N 0.250 120.874 120.500 0.207 0.000 2.073 467 R HA -0.156 4.184 4.340 -0.000 0.000 0.234 467 R C 2.140 178.483 176.300 0.071 0.000 1.134 467 R CA 1.578 57.743 56.100 0.108 0.000 0.952 467 R CB -0.240 30.052 30.300 -0.014 0.000 0.850 467 R HN 0.298 nan 8.270 nan 0.000 0.433 468 K N 0.122 120.525 120.400 0.006 0.000 2.097 468 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 468 K C 2.101 178.662 176.600 -0.064 0.000 1.049 468 K CA 1.203 57.462 56.287 -0.047 0.000 0.933 468 K CB -0.128 32.319 32.500 -0.088 0.000 0.717 468 K HN -0.071 nan 8.250 nan 0.000 0.442 469 R N 0.631 121.094 120.500 -0.062 0.000 2.159 469 R HA -0.104 4.236 4.340 -0.000 0.000 0.237 469 R C 0.746 176.831 176.300 -0.358 0.000 1.131 469 R CA 1.458 57.445 56.100 -0.188 0.000 0.982 469 R CB -0.216 29.980 30.300 -0.175 0.000 0.868 469 R HN 0.104 nan 8.270 nan 0.000 0.453 470 F N -0.081 119.824 119.950 -0.075 0.000 2.708 470 F HA 0.319 4.846 4.527 -0.000 0.000 0.300 470 F C 0.305 176.055 175.800 -0.083 0.000 1.118 470 F CA -0.102 57.838 58.000 -0.100 0.000 1.307 470 F CB 0.528 39.475 39.000 -0.089 0.000 0.986 470 F HN -0.110 nan 8.300 nan 0.000 0.522 471 S N 0.927 116.641 115.700 0.024 0.000 3.698 471 S HA -0.182 4.288 4.470 -0.000 0.000 0.338 471 S C -0.160 174.455 174.600 0.025 0.000 1.089 471 S CA 0.248 58.460 58.200 0.020 0.000 0.991 471 S CB -2.037 61.186 63.200 0.038 0.000 0.909 471 S HN 0.287 nan 8.310 nan 0.000 0.485 472 L N 0.419 121.649 121.223 0.011 0.000 2.330 472 L HA 0.521 4.860 4.340 -0.000 0.000 0.271 472 L C 0.507 177.326 176.870 -0.084 0.000 1.013 472 L CA -0.851 53.966 54.840 -0.037 0.000 0.816 472 L CB 1.100 43.129 42.059 -0.050 0.000 1.287 472 L HN 0.045 nan 8.230 nan 0.000 0.435 473 K N 2.320 122.645 120.400 -0.125 0.000 2.350 473 K HA 0.255 4.574 4.320 -0.000 0.000 0.279 473 K C -2.330 174.132 176.600 -0.228 0.000 1.027 473 K CA -1.426 54.775 56.287 -0.144 0.000 0.969 473 K CB 0.878 33.301 32.500 -0.127 0.000 0.954 473 K HN 0.193 nan 8.250 nan 0.000 0.474 474 P HA -0.024 nan 4.420 nan 0.000 0.268 474 P C -1.065 176.130 177.300 -0.175 0.000 1.205 474 P CA 0.063 63.068 63.100 -0.160 0.000 0.771 474 P CB 0.212 31.861 31.700 -0.084 0.000 0.858 475 Y N 0.493 120.746 120.300 -0.077 0.000 2.411 475 Y HA 0.085 4.635 4.550 -0.000 0.000 0.333 475 Y C 2.092 177.917 175.900 -0.124 0.000 1.186 475 Y CA 0.654 58.693 58.100 -0.101 0.000 1.381 475 Y CB 0.028 38.407 38.460 -0.134 0.000 1.273 475 Y HN 0.394 nan 8.280 nan 0.000 0.546 476 T N -2.649 111.953 114.554 0.079 0.000 3.060 476 T HA 0.264 4.614 4.350 -0.000 0.000 0.249 476 T C 0.126 174.801 174.700 -0.041 0.000 1.079 476 T CA 0.377 62.478 62.100 0.001 0.000 1.013 476 T CB -0.211 68.664 68.868 0.011 0.000 0.975 476 T HN 0.515 nan 8.240 nan 0.000 0.518 477 S N -0.920 114.736 115.700 -0.073 0.000 2.567 477 S HA 0.553 5.023 4.470 -0.000 0.000 0.270 477 S C -0.224 174.247 174.600 -0.215 0.000 1.152 477 S CA -0.943 57.187 58.200 -0.118 0.000 0.835 477 S CB 0.174 63.374 63.200 0.000 0.000 1.115 477 S HN -0.086 nan 8.310 nan 0.000 0.459 478 F N 1.149 121.067 119.950 -0.053 0.000 2.234 478 F HA 0.084 4.611 4.527 -0.000 0.000 0.299 478 F C 2.531 178.256 175.800 -0.125 0.000 1.087 478 F CA 1.437 59.375 58.000 -0.103 0.000 1.340 478 F CB -0.347 38.617 39.000 -0.061 0.000 1.031 478 F HN 0.709 nan 8.300 nan 0.000 0.500 479 E N -0.047 120.204 120.200 0.084 0.000 2.106 479 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 479 E C 2.108 178.684 176.600 -0.040 0.000 0.984 479 E CA 1.053 57.465 56.400 0.021 0.000 0.806 479 E CB -0.225 29.495 29.700 0.033 0.000 0.750 479 E HN 0.489 nan 8.360 nan 0.000 0.458 480 E N 0.577 120.742 120.200 -0.058 0.000 2.150 480 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 480 E C 2.136 178.562 176.600 -0.290 0.000 0.985 480 E CA 0.338 56.706 56.400 -0.052 0.000 0.814 480 E CB 0.113 29.862 29.700 0.081 0.000 0.752 480 E HN 0.091 nan 8.360 nan 0.000 0.466 481 L N 0.645 121.519 121.223 -0.581 0.000 2.027 481 L HA -0.128 4.212 4.340 -0.000 0.000 0.206 481 L C 2.480 179.102 176.870 -0.414 0.000 1.074 481 L CA 2.547 56.823 54.840 -0.940 0.000 0.745 481 L CB -0.802 40.815 42.059 -0.737 0.000 0.898 481 L HN 0.164 nan 8.230 nan 0.000 0.433 482 T N -3.859 110.568 114.554 -0.212 0.000 3.054 482 T HA 0.236 4.586 4.350 -0.000 0.000 0.259 482 T C 1.498 176.149 174.700 -0.081 0.000 1.092 482 T CA 0.401 62.431 62.100 -0.116 0.000 1.121 482 T CB -0.487 68.344 68.868 -0.062 0.000 0.912 482 T HN 0.735 nan 8.240 nan 0.000 0.489 483 G N 1.374 110.131 108.800 -0.071 0.000 2.198 483 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.260 483 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.260 483 G C -0.217 174.668 174.900 -0.025 0.000 1.025 483 G CA 0.526 45.605 45.100 -0.035 0.000 0.769 483 G HN 0.954 nan 8.290 nan 0.000 0.507 484 E N -1.465 118.720 120.200 -0.025 0.000 2.429 484 E HA 0.397 4.746 4.350 -0.000 0.000 0.280 484 E C 0.306 176.900 176.600 -0.011 0.000 1.068 484 E CA -0.646 55.743 56.400 -0.020 0.000 0.837 484 E CB 0.302 29.985 29.700 -0.029 0.000 1.357 484 E HN 0.071 nan 8.360 nan 0.000 0.455 485 K N 0.425 120.819 120.400 -0.010 0.000 2.306 485 K HA 0.124 4.443 4.320 -0.000 0.000 0.200 485 K C 1.666 178.260 176.600 -0.011 0.000 1.083 485 K CA 0.202 56.487 56.287 -0.004 0.000 0.959 485 K CB 0.437 32.935 32.500 -0.003 0.000 0.994 485 K HN 0.444 nan 8.250 nan 0.000 0.492 486 E N 1.329 121.519 120.200 -0.017 0.000 2.051 486 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 486 E C 1.974 178.557 176.600 -0.029 0.000 0.991 486 E CA 1.234 57.621 56.400 -0.022 0.000 0.799 486 E CB 0.121 29.808 29.700 -0.022 0.000 0.748 486 E HN 0.182 nan 8.360 nan 0.000 0.449 487 M N -0.062 119.521 119.600 -0.029 0.000 2.200 487 M HA -0.059 4.421 4.480 -0.000 0.000 0.265 487 M C 2.393 178.667 176.300 -0.043 0.000 1.066 487 M CA 1.053 56.332 55.300 -0.034 0.000 1.127 487 M CB -0.030 32.552 32.600 -0.030 0.000 1.379 487 M HN 0.163 nan 8.290 nan 0.000 0.420 488 A N 0.673 123.480 122.820 -0.021 0.000 1.883 488 A HA -0.138 4.181 4.320 -0.000 0.000 0.217 488 A C 2.341 179.879 177.584 -0.077 0.000 1.186 488 A CA 2.146 54.188 52.037 0.007 0.000 0.624 488 A CB -0.926 18.106 19.000 0.054 0.000 0.822 488 A HN 0.501 nan 8.150 nan 0.000 0.444 489 A N -0.661 122.122 122.820 -0.062 0.000 1.929 489 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 489 A C 1.909 179.418 177.584 -0.125 0.000 1.176 489 A CA 1.554 53.543 52.037 -0.079 0.000 0.628 489 A CB -0.446 18.529 19.000 -0.041 0.000 0.816 489 A HN 0.622 nan 8.150 nan 0.000 0.444 490 E N -0.149 119.985 120.200 -0.109 0.000 2.077 490 E HA -0.134 4.215 4.350 -0.000 0.000 0.193 490 E C 1.907 178.410 176.600 -0.162 0.000 0.989 490 E CA 1.115 57.450 56.400 -0.107 0.000 0.800 490 E CB -0.247 29.412 29.700 -0.068 0.000 0.746 490 E HN 0.614 nan 8.360 nan 0.000 0.452 491 L N 0.721 121.805 121.223 -0.232 0.000 2.046 491 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 491 L C 2.481 178.904 176.870 -0.745 0.000 1.077 491 L CA 1.074 55.703 54.840 -0.352 0.000 0.747 491 L CB -0.282 41.555 42.059 -0.370 0.000 0.896 491 L HN 0.035 nan 8.230 nan 0.000 0.432 492 K N 0.700 120.543 120.400 -0.928 0.000 2.097 492 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 492 K C 1.964 178.406 176.600 -0.263 0.000 1.049 492 K CA 1.571 57.423 56.287 -0.724 0.000 0.933 492 K CB -0.253 32.074 32.500 -0.288 0.000 0.717 492 K HN 0.222 nan 8.250 nan 0.000 0.442 493 A N 0.394 123.096 122.820 -0.197 0.000 1.930 493 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 493 A C 2.146 179.661 177.584 -0.113 0.000 1.175 493 A CA 1.339 53.309 52.037 -0.112 0.000 0.627 493 A CB -0.505 18.441 19.000 -0.091 0.000 0.815 493 A HN 0.308 nan 8.150 nan 0.000 0.443 494 L N -2.675 118.456 121.223 -0.152 0.000 2.044 494 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 494 L C 2.366 179.089 176.870 -0.246 0.000 1.075 494 L CA 1.278 55.990 54.840 -0.214 0.000 0.747 494 L CB -0.441 41.456 42.059 -0.269 0.000 0.903 494 L HN 0.466 nan 8.230 nan 0.000 0.435 495 Y N -1.443 118.799 120.300 -0.095 0.000 2.509 495 Y HA 0.018 4.567 4.550 -0.001 0.000 0.270 495 Y C 2.027 177.991 175.900 0.108 0.000 1.103 495 Y CA 0.499 58.628 58.100 0.047 0.000 1.278 495 Y CB 0.467 39.044 38.460 0.195 0.000 1.087 495 Y HN 0.100 nan 8.280 nan 0.000 0.542 496 S N -1.065 114.754 115.700 0.199 0.000 1.703 496 S HA -0.275 4.194 4.470 -0.000 0.000 0.232 496 S C -0.060 174.734 174.600 0.323 0.000 0.865 496 S CA 1.804 60.120 58.200 0.193 0.000 1.462 496 S CB -1.148 62.126 63.200 0.124 0.000 1.879 496 S HN 0.529 nan 8.310 nan 0.000 0.532 497 D N -0.086 120.537 120.400 0.371 0.000 2.502 497 D HA 0.585 5.224 4.640 -0.000 0.000 0.249 497 D C 0.542 176.939 176.300 0.162 0.000 1.092 497 D CA -0.528 53.619 54.000 0.245 0.000 0.839 497 D CB 1.398 42.283 40.800 0.141 0.000 1.264 497 D HN 0.090 nan 8.370 nan 0.000 0.511 498 I N 2.681 123.130 120.570 -0.202 0.000 2.454 498 I HA -0.170 4.000 4.170 -0.000 0.000 0.254 498 I C 1.050 177.010 176.117 -0.262 0.000 1.156 498 I CA 1.478 62.389 61.300 -0.649 0.000 1.433 498 I CB 0.087 37.680 38.000 -0.678 0.000 1.082 498 I HN 0.345 nan 8.210 nan 0.000 0.432 499 D N -0.305 120.034 120.400 -0.102 0.000 2.363 499 D HA -0.001 4.639 4.640 -0.000 0.000 0.226 499 D C 1.807 178.113 176.300 0.011 0.000 1.020 499 D CA 1.181 55.158 54.000 -0.039 0.000 0.892 499 D CB 0.147 40.935 40.800 -0.021 0.000 0.900 499 D HN 0.465 nan 8.370 nan 0.000 0.531 500 V N -2.689 117.255 119.914 0.050 0.000 3.477 500 V HA 0.278 4.398 4.120 -0.000 0.000 0.297 500 V C 0.602 176.755 176.094 0.099 0.000 1.433 500 V CA -0.575 61.797 62.300 0.120 0.000 1.052 500 V CB -0.160 31.778 31.823 0.192 0.000 0.895 500 V HN -0.147 nan 8.190 nan 0.000 0.438 501 M N 2.682 122.232 119.600 -0.084 0.000 2.261 501 M HA 0.225 4.704 4.480 -0.000 0.000 0.350 501 M C 0.257 176.463 176.300 -0.157 0.000 1.343 501 M CA 0.394 55.474 55.300 -0.367 0.000 1.003 501 M CB -0.438 31.992 32.600 -0.283 0.000 1.848 501 M HN 0.530 nan 8.290 nan 0.000 0.456 502 E N 3.247 123.348 120.200 -0.166 0.000 2.349 502 E HA 0.106 4.455 4.350 -0.000 0.000 0.262 502 E C 0.598 177.223 176.600 0.041 0.000 1.088 502 E CA -0.525 55.906 56.400 0.052 0.000 0.899 502 E CB 0.878 30.672 29.700 0.156 0.000 1.044 502 E HN 0.783 nan 8.360 nan 0.000 0.420 503 L N 2.304 123.584 121.223 0.096 0.000 2.023 503 L HA -0.173 4.166 4.340 -0.000 0.000 0.205 503 L C 2.105 178.998 176.870 0.038 0.000 1.073 503 L CA 1.734 56.606 54.840 0.053 0.000 0.745 503 L CB -0.586 41.464 42.059 -0.016 0.000 0.900 503 L HN 0.695 nan 8.230 nan 0.000 0.435 504 Y N 0.948 121.214 120.300 -0.056 0.000 2.145 504 Y HA -0.075 4.475 4.550 -0.000 0.000 0.286 504 Y C -0.579 175.311 175.900 -0.018 0.000 1.145 504 Y CA 1.720 59.779 58.100 -0.068 0.000 1.148 504 Y CB -1.748 36.635 38.460 -0.128 0.000 0.981 504 Y HN 0.225 nan 8.280 nan 0.000 0.507 505 P HA -0.197 nan 4.420 nan 0.000 0.216 505 P C 1.452 178.655 177.300 -0.162 0.000 1.150 505 P CA 2.503 65.516 63.100 -0.144 0.000 0.837 505 P CB -0.337 31.396 31.700 0.056 0.000 0.786 506 A N -0.634 122.120 122.820 -0.111 0.000 1.933 506 A HA -0.170 4.149 4.320 -0.000 0.000 0.218 506 A C 2.175 179.693 177.584 -0.109 0.000 1.175 506 A CA 1.447 53.426 52.037 -0.097 0.000 0.628 506 A CB -1.660 17.305 19.000 -0.058 0.000 0.814 506 A HN 0.125 nan 8.150 nan 0.000 0.444 507 L N -0.671 120.470 121.223 -0.136 0.000 2.083 507 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 507 L C 2.273 179.052 176.870 -0.151 0.000 1.083 507 L CA 0.903 55.664 54.840 -0.133 0.000 0.752 507 L CB -0.429 41.547 42.059 -0.137 0.000 0.899 507 L HN 0.353 nan 8.230 nan 0.000 0.433 508 L N -0.516 120.570 121.223 -0.228 0.000 2.418 508 L HA -0.041 4.299 4.340 -0.000 0.000 0.218 508 L C 2.050 178.850 176.870 -0.116 0.000 1.125 508 L CA 0.477 55.209 54.840 -0.180 0.000 0.835 508 L CB -0.160 41.748 42.059 -0.253 0.000 0.953 508 L HN 0.282 nan 8.230 nan 0.000 0.454 509 V N -4.532 115.315 119.914 -0.111 0.000 3.661 509 V HA 0.152 4.271 4.120 -0.000 0.000 0.271 509 V C 0.975 177.015 176.094 -0.089 0.000 1.315 509 V CA -0.330 61.919 62.300 -0.084 0.000 1.072 509 V CB -0.051 31.732 31.823 -0.066 0.000 0.830 509 V HN 0.234 nan 8.190 nan 0.000 0.443 510 E N 2.478 122.621 120.200 -0.095 0.000 2.442 510 E HA 0.015 4.365 4.350 -0.000 0.000 0.262 510 E C 0.290 176.845 176.600 -0.076 0.000 1.004 510 E CA -0.228 56.113 56.400 -0.098 0.000 0.928 510 E CB 0.476 30.144 29.700 -0.054 0.000 0.937 510 E HN 0.499 nan 8.360 nan 0.000 0.446 511 K N 5.514 125.866 120.400 -0.082 0.000 2.437 511 K HA 0.039 4.359 4.320 -0.000 0.000 0.277 511 K C -2.267 174.312 176.600 -0.036 0.000 1.073 511 K CA -1.094 55.161 56.287 -0.054 0.000 1.105 511 K CB 0.312 32.787 32.500 -0.041 0.000 0.881 511 K HN 0.256 nan 8.250 nan 0.000 0.475 512 P HA 0.186 nan 4.420 nan 0.000 0.276 512 P C -0.796 176.473 177.300 -0.053 0.000 1.252 512 P CA -0.563 62.502 63.100 -0.058 0.000 0.802 512 P CB 0.593 32.240 31.700 -0.089 0.000 1.035 513 R N 1.372 121.825 120.500 -0.079 0.000 2.738 513 R HA 0.238 4.578 4.340 -0.000 0.000 0.268 513 R C -1.953 174.336 176.300 -0.017 0.000 1.062 513 R CA -1.370 54.687 56.100 -0.071 0.000 1.158 513 R CB -1.479 28.698 30.300 -0.204 0.000 1.046 513 R HN 0.386 nan 8.270 nan 0.000 0.493 514 P HA -0.086 nan 4.420 nan 0.000 0.256 514 P C -0.930 176.362 177.300 -0.012 0.000 1.173 514 P CA 0.748 63.869 63.100 0.034 0.000 0.768 514 P CB 0.213 31.969 31.700 0.093 0.000 0.758 515 D N 0.178 120.548 120.400 -0.050 0.000 2.751 515 D HA -0.205 4.435 4.640 -0.000 0.000 0.233 515 D C 0.176 176.396 176.300 -0.133 0.000 1.149 515 D CA 1.519 55.465 54.000 -0.090 0.000 0.682 515 D CB -1.193 39.557 40.800 -0.084 0.000 1.068 515 D HN 0.465 nan 8.370 nan 0.000 0.429 516 A N -0.361 122.374 122.820 -0.142 0.000 2.354 516 A HA 0.708 5.028 4.320 -0.000 0.000 0.321 516 A C 1.145 178.551 177.584 -0.296 0.000 1.125 516 A CA -0.601 51.310 52.037 -0.211 0.000 0.799 516 A CB 1.332 20.247 19.000 -0.141 0.000 1.293 516 A HN 0.107 nan 8.150 nan 0.000 0.452 517 I N -0.630 119.651 120.570 -0.482 0.000 2.439 517 I HA 0.073 4.242 4.170 -0.000 0.000 0.251 517 I C -0.539 175.210 176.117 -0.614 0.000 1.139 517 I CA 0.871 61.763 61.300 -0.679 0.000 1.438 517 I CB -0.067 37.294 38.000 -1.065 0.000 1.085 517 I HN 0.498 nan 8.210 nan 0.000 0.427 518 F N -0.266 119.519 119.950 -0.275 0.000 2.556 518 F HA 0.589 5.116 4.527 -0.000 0.000 0.327 518 F C 0.840 176.529 175.800 -0.185 0.000 1.059 518 F CA -1.272 56.578 58.000 -0.250 0.000 0.953 518 F CB 0.631 39.474 39.000 -0.262 0.000 1.227 518 F HN -0.234 nan 8.300 nan 0.000 0.478 519 G N -0.198 108.648 108.800 0.076 0.000 2.557 519 G HA2 0.209 4.169 3.960 -0.000 0.000 0.292 519 G HA3 0.209 4.169 3.960 -0.000 0.000 0.292 519 G C 0.652 175.553 174.900 0.001 0.000 1.237 519 G CA -0.311 44.795 45.100 0.010 0.000 0.978 519 G HN 0.731 nan 8.290 nan 0.000 0.498 520 E N -1.057 119.145 120.200 0.003 0.000 2.077 520 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 520 E C 2.354 178.945 176.600 -0.015 0.000 0.989 520 E CA 1.750 58.145 56.400 -0.008 0.000 0.800 520 E CB -0.153 29.552 29.700 0.009 0.000 0.746 520 E HN 0.469 nan 8.360 nan 0.000 0.452 521 T N 0.993 115.547 114.554 -0.000 0.000 2.788 521 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 521 T C 1.712 176.353 174.700 -0.097 0.000 1.044 521 T CA 1.458 63.538 62.100 -0.034 0.000 1.139 521 T CB -0.216 68.663 68.868 0.019 0.000 0.867 521 T HN 0.156 nan 8.240 nan 0.000 0.454 522 M N 1.299 120.829 119.600 -0.116 0.000 2.117 522 M HA -0.033 4.447 4.480 -0.000 0.000 0.262 522 M C 2.062 178.246 176.300 -0.193 0.000 1.065 522 M CA 1.437 56.605 55.300 -0.220 0.000 1.114 522 M CB -0.553 31.782 32.600 -0.441 0.000 1.361 522 M HN 0.062 nan 8.290 nan 0.000 0.408 523 V N 0.078 119.927 119.914 -0.110 0.000 2.453 523 V HA -0.151 3.968 4.120 -0.000 0.000 0.247 523 V C 2.248 178.336 176.094 -0.010 0.000 1.048 523 V CA 1.599 63.890 62.300 -0.016 0.000 1.049 523 V CB -0.838 31.025 31.823 0.066 0.000 0.672 523 V HN 0.424 nan 8.190 nan 0.000 0.457 524 E N -0.321 119.848 120.200 -0.051 0.000 2.299 524 E HA -0.019 4.330 4.350 -0.000 0.000 0.193 524 E C 1.976 178.426 176.600 -0.250 0.000 0.998 524 E CA 0.616 56.980 56.400 -0.061 0.000 0.851 524 E CB 0.112 29.801 29.700 -0.019 0.000 0.795 524 E HN 0.399 nan 8.360 nan 0.000 0.492 525 L N -0.147 120.834 121.223 -0.403 0.000 2.168 525 L HA 0.113 4.452 4.340 -0.000 0.000 0.203 525 L C 2.326 178.999 176.870 -0.329 0.000 1.078 525 L CA 1.414 55.778 54.840 -0.794 0.000 0.780 525 L CB -0.789 40.898 42.059 -0.620 0.000 0.939 525 L HN 0.111 nan 8.230 nan 0.000 0.451 526 G N -0.952 107.819 108.800 -0.048 0.000 2.402 526 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 526 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 526 G C 1.688 176.654 174.900 0.109 0.000 1.162 526 G CA 0.799 46.014 45.100 0.192 0.000 0.777 526 G HN 0.442 nan 8.290 nan 0.000 0.539 527 A N 1.618 124.455 122.820 0.028 0.000 1.877 527 A HA 0.092 4.412 4.320 -0.000 0.000 0.216 527 A C 0.756 178.363 177.584 0.037 0.000 1.186 527 A CA 1.905 53.959 52.037 0.027 0.000 0.620 527 A CB -1.122 17.987 19.000 0.182 0.000 0.822 527 A HN 0.366 nan 8.150 nan 0.000 0.443 528 P HA -0.132 nan 4.420 nan 0.000 0.215 528 P C 1.019 178.251 177.300 -0.114 0.000 1.157 528 P CA 1.031 64.108 63.100 -0.038 0.000 0.868 528 P CB -0.210 31.408 31.700 -0.137 0.000 0.788 529 F N -0.282 119.529 119.950 -0.232 0.000 2.202 529 F HA -0.141 4.385 4.527 -0.001 0.000 0.301 529 F C 2.388 177.775 175.800 -0.687 0.000 1.082 529 F CA 1.301 58.933 58.000 -0.613 0.000 1.313 529 F CB -1.417 36.823 39.000 -1.268 0.000 1.024 529 F HN -0.090 nan 8.300 nan 0.000 0.495 530 S N -0.500 115.038 115.700 -0.270 0.000 2.348 530 S HA -0.082 4.388 4.470 -0.000 0.000 0.219 530 S C 1.838 176.391 174.600 -0.079 0.000 1.033 530 S CA 0.832 58.954 58.200 -0.131 0.000 0.974 530 S CB -0.569 62.582 63.200 -0.081 0.000 0.868 530 S HN 0.192 nan 8.310 nan 0.000 0.459 531 F N 2.057 122.066 119.950 0.098 0.000 2.293 531 F HA 0.074 4.601 4.527 -0.001 0.000 0.300 531 F C 2.353 178.241 175.800 0.147 0.000 1.086 531 F CA 0.637 58.706 58.000 0.113 0.000 1.375 531 F CB -0.329 38.728 39.000 0.094 0.000 1.045 531 F HN 0.022 nan 8.300 nan 0.000 0.516 532 K N 0.537 121.104 120.400 0.278 0.000 2.057 532 K HA -0.062 4.257 4.320 -0.000 0.000 0.207 532 K C 2.385 179.084 176.600 0.165 0.000 1.049 532 K CA 1.276 57.705 56.287 0.235 0.000 0.931 532 K CB -1.050 31.505 32.500 0.092 0.000 0.714 532 K HN 0.355 nan 8.250 nan 0.000 0.440 533 G N 0.669 109.502 108.800 0.055 0.000 2.422 533 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.218 533 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.218 533 G C 1.684 176.629 174.900 0.075 0.000 1.140 533 G CA 0.388 45.478 45.100 -0.017 0.000 0.775 533 G HN 0.193 nan 8.290 nan 0.000 0.545 534 L N -0.159 121.155 121.223 0.151 0.000 2.071 534 L HA 0.102 4.442 4.340 -0.000 0.000 0.201 534 L C 2.894 179.903 176.870 0.232 0.000 1.076 534 L CA 0.517 55.461 54.840 0.174 0.000 0.755 534 L CB -0.310 41.853 42.059 0.173 0.000 0.915 534 L HN 0.051 nan 8.230 nan 0.000 0.445 535 M N -0.153 119.622 119.600 0.292 0.000 2.394 535 M HA 0.021 4.500 4.480 -0.000 0.000 0.264 535 M C 1.778 178.383 176.300 0.509 0.000 1.073 535 M CA 0.971 56.448 55.300 0.294 0.000 1.111 535 M CB -1.509 31.100 32.600 0.014 0.000 1.401 535 M HN 0.262 nan 8.290 nan 0.000 0.448 536 G N 1.250 110.359 108.800 0.516 0.000 3.424 536 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.263 536 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.263 536 G C 0.260 175.338 174.900 0.297 0.000 1.310 536 G CA -0.273 45.087 45.100 0.433 0.000 1.089 536 G HN 0.372 nan 8.290 nan 0.000 0.534 537 N N 0.608 119.493 118.700 0.309 0.000 2.456 537 N HA 0.222 4.961 4.740 -0.000 0.000 0.288 537 N C -1.496 174.116 175.510 0.170 0.000 1.059 537 N CA -1.846 51.323 53.050 0.198 0.000 0.946 537 N CB 2.908 41.505 38.487 0.183 0.000 1.150 537 N HN -0.161 nan 8.380 nan 0.000 0.479 538 P HA -0.136 nan 4.420 nan 0.000 0.221 538 P C 1.456 178.523 177.300 -0.388 0.000 1.145 538 P CA 1.125 64.072 63.100 -0.255 0.000 0.795 538 P CB -0.078 31.347 31.700 -0.457 0.000 0.775 539 I N -3.518 117.006 120.570 -0.077 0.000 2.830 539 I HA -0.075 4.095 4.170 -0.000 0.000 0.263 539 I C 1.683 178.088 176.117 0.481 0.000 1.230 539 I CA 1.246 62.719 61.300 0.288 0.000 1.480 539 I CB -1.119 37.226 38.000 0.576 0.000 1.095 539 I HN -0.179 nan 8.210 nan 0.000 0.455 540 C N 1.348 120.809 119.300 0.268 0.000 2.594 540 C HA 0.181 4.641 4.460 -0.000 0.000 0.265 540 C C 1.782 176.802 174.990 0.050 0.000 1.351 540 C CA 0.235 59.358 59.018 0.175 0.000 1.744 540 C CB -1.676 26.220 27.740 0.261 0.000 1.890 540 C HN 0.711 nan 8.230 nan 0.000 0.551 541 S N 2.401 117.948 115.700 -0.255 0.000 2.576 541 S HA 0.165 4.634 4.470 -0.000 0.000 0.276 541 S C -1.159 173.387 174.600 -0.091 0.000 1.339 541 S CA -0.606 57.178 58.200 -0.694 0.000 1.039 541 S CB 0.726 63.553 63.200 -0.622 0.000 0.902 541 S HN 0.195 nan 8.310 nan 0.000 0.516 542 P HA -0.155 nan 4.420 nan 0.000 0.217 542 P C 1.190 178.417 177.300 -0.121 0.000 1.148 542 P CA 1.247 64.048 63.100 -0.499 0.000 0.828 542 P CB 0.045 31.257 31.700 -0.813 0.000 0.783 543 Q N -1.877 117.902 119.800 -0.035 0.000 2.311 543 Q HA -0.067 4.273 4.340 -0.000 0.000 0.203 543 Q C 1.907 177.907 176.000 -0.000 0.000 0.954 543 Q CA 1.086 56.881 55.803 -0.013 0.000 0.885 543 Q CB -0.415 28.315 28.738 -0.014 0.000 0.963 543 Q HN 0.435 nan 8.270 nan 0.000 0.471 544 Y N -1.816 118.487 120.300 0.005 0.000 2.479 544 Y HA 0.003 4.553 4.550 -0.001 0.000 0.283 544 Y C 1.074 177.050 175.900 0.127 0.000 1.109 544 Y CA -0.132 57.981 58.100 0.022 0.000 1.239 544 Y CB 0.242 38.759 38.460 0.095 0.000 1.108 544 Y HN 0.180 nan 8.280 nan 0.000 0.548 545 W N 3.820 125.268 121.300 0.247 0.000 1.371 545 W HA 0.242 4.901 4.660 -0.001 0.000 0.482 545 W C -0.920 175.682 176.519 0.138 0.000 0.640 545 W CA 0.303 57.861 57.345 0.354 0.000 2.164 545 W CB -0.651 29.108 29.460 0.498 0.000 1.613 545 W HN -0.021 nan 8.180 nan 0.000 0.212 546 K N 2.598 122.805 120.400 -0.322 0.000 2.469 546 K HA 0.237 4.557 4.320 -0.000 0.000 0.254 546 K C -1.778 174.334 176.600 -0.813 0.000 0.939 546 K CA -1.707 54.269 56.287 -0.519 0.000 0.812 546 K CB 2.284 34.621 32.500 -0.271 0.000 1.301 546 K HN -0.240 nan 8.250 nan 0.000 0.433 547 P HA -0.264 nan 4.420 nan 0.000 0.217 547 P C 0.921 178.089 177.300 -0.221 0.000 1.151 547 P CA 1.542 64.312 63.100 -0.549 0.000 0.849 547 P CB 0.149 31.721 31.700 -0.212 0.000 0.787 548 S N -2.376 113.192 115.700 -0.221 0.000 2.453 548 S HA -0.079 4.390 4.470 -0.000 0.000 0.231 548 S C 1.785 176.266 174.600 -0.197 0.000 1.005 548 S CA 1.409 59.534 58.200 -0.126 0.000 0.949 548 S CB -1.788 61.346 63.200 -0.111 0.000 0.774 548 S HN 0.120 nan 8.310 nan 0.000 0.510 549 T N 1.562 115.854 114.554 -0.436 0.000 2.881 549 T HA 0.057 4.407 4.350 -0.000 0.000 0.270 549 T C 0.393 174.719 174.700 -0.624 0.000 1.068 549 T CA 1.074 62.765 62.100 -0.682 0.000 1.131 549 T CB -0.418 67.781 68.868 -1.115 0.000 0.871 549 T HN 0.572 nan 8.240 nan 0.000 0.479 550 F N 0.150 120.117 119.950 0.028 0.000 2.668 550 F HA 0.506 5.033 4.527 -0.000 0.000 0.301 550 F C 1.568 177.488 175.800 0.200 0.000 1.106 550 F CA -0.849 57.228 58.000 0.129 0.000 1.289 550 F CB -0.120 38.968 39.000 0.146 0.000 1.006 550 F HN 0.170 nan 8.300 nan 0.000 0.535 551 G N 0.165 109.162 108.800 0.329 0.000 2.147 551 G HA2 0.163 4.123 3.960 -0.000 0.000 0.244 551 G HA3 0.163 4.123 3.960 -0.000 0.000 0.244 551 G C 0.609 175.707 174.900 0.331 0.000 1.005 551 G CA 0.110 45.461 45.100 0.417 0.000 0.713 551 G HN 1.235 nan 8.290 nan 0.000 0.515 552 G N -1.567 107.359 108.800 0.210 0.000 2.422 552 G HA2 0.228 4.188 3.960 -0.000 0.000 0.607 552 G HA3 0.228 4.188 3.960 -0.000 0.000 0.607 552 G C 0.318 175.305 174.900 0.146 0.000 1.270 552 G CA 0.547 45.730 45.100 0.138 0.000 0.992 552 G HN 0.424 nan 8.290 nan 0.000 0.499 553 E N -0.616 119.652 120.200 0.113 0.000 2.106 553 E HA -0.053 4.297 4.350 -0.000 0.000 0.192 553 E C 2.884 179.570 176.600 0.143 0.000 0.984 553 E CA 1.454 57.946 56.400 0.154 0.000 0.806 553 E CB -0.274 29.489 29.700 0.105 0.000 0.750 553 E HN 0.415 nan 8.360 nan 0.000 0.458 554 V N 0.753 120.717 119.914 0.083 0.000 2.255 554 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 554 V C 2.432 178.584 176.094 0.097 0.000 1.051 554 V CA 2.104 64.438 62.300 0.056 0.000 1.018 554 V CB -1.111 30.713 31.823 0.002 0.000 0.641 554 V HN 0.327 nan 8.190 nan 0.000 0.445 555 G N -1.084 107.806 108.800 0.150 0.000 2.418 555 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 555 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 555 G C 1.547 176.583 174.900 0.226 0.000 1.158 555 G CA 0.864 46.087 45.100 0.205 0.000 0.771 555 G HN 0.409 nan 8.290 nan 0.000 0.545 556 F N 1.608 121.589 119.950 0.051 0.000 2.126 556 F HA -0.007 4.519 4.527 -0.000 0.000 0.299 556 F C 2.519 178.260 175.800 -0.099 0.000 1.096 556 F CA 1.608 59.554 58.000 -0.091 0.000 1.255 556 F CB -0.334 38.641 39.000 -0.043 0.000 0.997 556 F HN 0.156 nan 8.300 nan 0.000 0.479 557 K N 0.292 120.698 120.400 0.010 0.000 2.147 557 K HA -0.151 4.169 4.320 -0.000 0.000 0.205 557 K C 2.180 178.754 176.600 -0.043 0.000 1.049 557 K CA 1.509 57.752 56.287 -0.073 0.000 0.936 557 K CB -0.276 32.214 32.500 -0.016 0.000 0.722 557 K HN 0.325 nan 8.250 nan 0.000 0.446 558 I N 0.889 121.463 120.570 0.007 0.000 2.194 558 I HA -0.339 3.830 4.170 -0.000 0.000 0.246 558 I C 2.139 178.276 176.117 0.033 0.000 1.093 558 I CA 1.354 62.671 61.300 0.029 0.000 1.355 558 I CB -0.257 37.780 38.000 0.062 0.000 1.046 558 I HN 0.199 nan 8.210 nan 0.000 0.413 559 I N 0.722 121.293 120.570 0.001 0.000 2.142 559 I HA -0.306 3.864 4.170 -0.000 0.000 0.240 559 I C 1.735 177.905 176.117 0.088 0.000 1.078 559 I CA 1.952 63.282 61.300 0.051 0.000 1.343 559 I CB -0.516 37.475 38.000 -0.016 0.000 1.046 559 I HN 0.277 nan 8.210 nan 0.000 0.405 560 N N -0.470 118.203 118.700 -0.045 0.000 2.515 560 N HA -0.090 4.650 4.740 -0.000 0.000 0.185 560 N C 1.099 176.619 175.510 0.016 0.000 1.109 560 N CA 1.204 54.242 53.050 -0.021 0.000 0.903 560 N CB 0.129 38.489 38.487 -0.212 0.000 0.969 560 N HN 0.446 nan 8.380 nan 0.000 0.450 561 T N -3.429 111.134 114.554 0.015 0.000 3.084 561 T HA 0.449 4.799 4.350 -0.000 0.000 0.270 561 T C 0.499 175.221 174.700 0.036 0.000 1.008 561 T CA -0.634 61.477 62.100 0.019 0.000 0.900 561 T CB 0.209 69.075 68.868 -0.002 0.000 1.084 561 T HN 0.053 nan 8.240 nan 0.000 0.538 562 A N 1.963 124.823 122.820 0.068 0.000 2.462 562 A HA 0.654 4.974 4.320 -0.000 0.000 0.243 562 A C 0.612 178.235 177.584 0.065 0.000 1.076 562 A CA -0.123 51.959 52.037 0.076 0.000 0.773 562 A CB 0.071 19.150 19.000 0.131 0.000 1.010 562 A HN 1.004 nan 8.150 nan 0.000 0.493 563 S N 1.175 116.892 115.700 0.029 0.000 2.596 563 S HA 0.466 4.936 4.470 -0.000 0.000 0.270 563 S C 0.430 175.001 174.600 -0.048 0.000 1.155 563 S CA -0.141 58.059 58.200 0.001 0.000 0.827 563 S CB 0.577 63.763 63.200 -0.022 0.000 1.130 563 S HN 0.982 nan 8.310 nan 0.000 0.467 564 I N 1.257 121.760 120.570 -0.111 0.000 2.286 564 I HA -0.073 4.096 4.170 -0.000 0.000 0.248 564 I C 2.528 178.532 176.117 -0.188 0.000 1.115 564 I CA 1.996 63.176 61.300 -0.200 0.000 1.392 564 I CB -0.542 37.141 38.000 -0.529 0.000 1.065 564 I HN 0.922 nan 8.210 nan 0.000 0.418 565 Q N 0.492 120.185 119.800 -0.178 0.000 2.084 565 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 565 Q C 2.357 178.265 176.000 -0.154 0.000 0.978 565 Q CA 2.572 58.279 55.803 -0.160 0.000 0.844 565 Q CB -0.509 28.149 28.738 -0.133 0.000 0.898 565 Q HN 0.689 nan 8.270 nan 0.000 0.426 566 S N -0.571 115.055 115.700 -0.123 0.000 2.395 566 S HA -0.100 4.370 4.470 -0.000 0.000 0.225 566 S C 1.883 176.406 174.600 -0.127 0.000 1.027 566 S CA 0.816 58.949 58.200 -0.112 0.000 0.965 566 S CB -0.647 62.510 63.200 -0.072 0.000 0.812 566 S HN 0.399 nan 8.310 nan 0.000 0.482 567 L N 0.999 122.136 121.223 -0.143 0.000 2.043 567 L HA 0.001 4.341 4.340 -0.000 0.000 0.212 567 L C 2.102 178.842 176.870 -0.217 0.000 1.075 567 L CA 1.662 56.372 54.840 -0.217 0.000 0.752 567 L CB -0.617 41.260 42.059 -0.303 0.000 0.891 567 L HN 0.256 nan 8.230 nan 0.000 0.432 568 I N -1.454 119.005 120.570 -0.184 0.000 2.333 568 I HA -0.226 3.944 4.170 -0.000 0.000 0.246 568 I C 2.675 178.690 176.117 -0.168 0.000 1.106 568 I CA 1.245 62.441 61.300 -0.174 0.000 1.411 568 I CB -0.801 37.111 38.000 -0.147 0.000 1.082 568 I HN 0.475 nan 8.210 nan 0.000 0.420 569 c N 1.059 119.555 118.600 -0.173 0.000 2.413 569 c HA -0.161 4.408 4.570 -0.000 0.000 0.276 569 c C 2.701 176.703 174.090 -0.145 0.000 1.248 569 c CA 1.199 57.422 56.329 -0.176 0.000 1.742 569 c CB -1.260 41.135 42.510 -0.192 0.000 2.017 569 c HN 0.515 nan 8.230 nan 0.000 0.481 570 N N 1.051 119.670 118.700 -0.134 0.000 2.396 570 N HA -0.015 4.725 4.740 -0.000 0.000 0.180 570 N C 0.999 176.437 175.510 -0.121 0.000 1.028 570 N CA 0.970 53.952 53.050 -0.114 0.000 0.893 570 N CB -0.403 38.025 38.487 -0.097 0.000 0.967 570 N HN 0.662 nan 8.380 nan 0.000 0.440 571 N N -0.407 118.206 118.700 -0.145 0.000 2.159 571 N HA 0.103 4.843 4.740 -0.000 0.000 0.217 571 N C -0.684 174.725 175.510 -0.168 0.000 1.223 571 N CA 0.128 53.084 53.050 -0.157 0.000 0.896 571 N CB 1.981 40.361 38.487 -0.178 0.000 1.064 571 N HN -0.110 nan 8.380 nan 0.000 0.518 572 V N 1.759 121.580 119.914 -0.155 0.000 2.444 572 V HA 0.204 4.324 4.120 -0.000 0.000 0.294 572 V C 0.387 176.410 176.094 -0.118 0.000 1.022 572 V CA -1.230 60.983 62.300 -0.145 0.000 0.850 572 V CB 2.509 34.248 31.823 -0.140 0.000 0.992 572 V HN -0.013 nan 8.190 nan 0.000 0.426 573 K N 2.956 123.292 120.400 -0.107 0.000 2.530 573 K HA 0.210 4.530 4.320 -0.000 0.000 0.280 573 K C 1.272 177.832 176.600 -0.066 0.000 1.004 573 K CA 1.432 57.670 56.287 -0.082 0.000 1.071 573 K CB 0.077 32.535 32.500 -0.069 0.000 0.876 573 K HN 1.197 nan 8.250 nan 0.000 0.487 574 G N 2.804 111.567 108.800 -0.061 0.000 2.225 574 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.254 574 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.254 574 G C 0.385 175.241 174.900 -0.073 0.000 0.988 574 G CA -0.036 45.035 45.100 -0.048 0.000 0.625 574 G HN 1.289 nan 8.290 nan 0.000 0.527 575 c N 1.178 119.714 118.600 -0.107 0.000 3.514 575 c HA -0.069 4.501 4.570 -0.000 0.000 0.286 575 c C -0.464 173.504 174.090 -0.202 0.000 1.302 575 c CA -0.067 56.162 56.329 -0.167 0.000 2.239 575 c CB -1.832 40.563 42.510 -0.192 0.000 1.429 575 c HN 0.809 nan 8.230 nan 0.000 0.565 576 P HA 0.289 nan 4.420 nan 0.000 0.272 576 P C 0.014 177.243 177.300 -0.118 0.000 1.223 576 P CA 0.190 63.260 63.100 -0.050 0.000 0.784 576 P CB 0.344 32.042 31.700 -0.004 0.000 0.923 577 F N 0.565 120.491 119.950 -0.040 0.000 2.484 577 F HA 0.334 4.861 4.527 -0.000 0.000 0.360 577 F C 1.629 177.399 175.800 -0.050 0.000 1.101 577 F CA 1.010 58.983 58.000 -0.046 0.000 1.251 577 F CB 0.604 39.582 39.000 -0.037 0.000 1.132 577 F HN 0.208 nan 8.300 nan 0.000 0.570 578 T N 1.483 116.078 114.554 0.068 0.000 2.864 578 T HA 0.733 5.083 4.350 -0.000 0.000 0.299 578 T C -0.918 173.740 174.700 -0.071 0.000 1.166 578 T CA -0.307 61.792 62.100 -0.001 0.000 1.007 578 T CB 1.245 70.082 68.868 -0.051 0.000 1.219 578 T HN 0.844 nan 8.240 nan 0.000 0.506 579 S N 0.701 116.323 115.700 -0.130 0.000 2.683 579 S HA 0.537 5.006 4.470 -0.000 0.000 0.269 579 S C -0.759 173.680 174.600 -0.268 0.000 1.165 579 S CA -0.636 57.411 58.200 -0.255 0.000 0.840 579 S CB 0.245 63.376 63.200 -0.114 0.000 1.169 579 S HN 0.411 nan 8.310 nan 0.000 0.490 580 F N 2.444 122.322 119.950 -0.119 0.000 2.765 580 F HA 0.364 4.890 4.527 -0.000 0.000 0.302 580 F C 1.052 176.524 175.800 -0.547 0.000 1.111 580 F CA -0.353 57.494 58.000 -0.257 0.000 1.359 580 F CB -0.191 38.636 39.000 -0.288 0.000 1.097 580 F HN 0.708 nan 8.300 nan 0.000 0.577 581 N N -0.355 118.223 118.700 -0.203 0.000 2.335 581 N HA 0.211 4.951 4.740 -0.000 0.000 0.304 581 N C 0.854 176.350 175.510 -0.023 0.000 1.135 581 N CA -0.131 52.845 53.050 -0.124 0.000 0.817 581 N CB 1.730 40.212 38.487 -0.007 0.000 1.294 581 N HN -0.042 nan 8.380 nan 0.000 0.497 582 V N -2.057 117.857 119.914 -0.001 0.000 2.427 582 V HA -0.079 4.041 4.120 -0.000 0.000 0.248 582 V C 1.041 177.138 176.094 0.004 0.000 1.051 582 V CA 1.450 63.758 62.300 0.014 0.000 1.048 582 V CB -1.529 30.305 31.823 0.019 0.000 0.666 582 V HN 1.025 nan 8.190 nan 0.000 0.456 583 Q N 0.000 119.799 119.800 -0.002 0.000 2.315 583 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 583 Q CA 0.000 55.798 55.803 -0.009 0.000 1.022 583 Q CB 0.000 28.730 28.738 -0.013 0.000 1.108 583 Q HN 0.000 nan 8.270 nan 0.000 0.481