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 4cox_1_B DATA FIRST_RESID 33 DATA SEQUENCE ANPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNIPFLRSLI MKYVLTSRSY LIDSPPTYNV DATA SEQUENCE HYGYKSWEAF SNLSYYTRAL PPVADDcPTP MGVKGNKELP DSKEVLEKVL DATA SEQUENCE LRREFIPDPQ GSNMMFAFFA QHFTHQFFKT DHKRGPGFTR GLGHGVDLNH DATA SEQUENCE IYGETLDRQH KLRLFKDGKL KYQVIGGEVY PPTVKDTQVE MIYPPHIPEN DATA SEQUENCE LQFAVGQEVF GLVPGLMMYA TIWLREHQRV CDILKQEHPE WGDEQLFQTS DATA SEQUENCE KLILIGETIK IVIEDYVQHL SGYHFKLKFD PELLFNQQFQ YQNRIASEFN DATA SEQUENCE TLYHWHPLLP DTFNIEDQEY SFKQFLYNNS ILLEHGLTQF VESFTRQIAG DATA SEQUENCE RVAGGRNVPI AVQAVAKASI DQSREMKYQS LNEYRKRFSL KPYTSFEELT DATA SEQUENCE GEKEMAAELK ALYSDIDVME LYPALLVEKP RPDAIFGETM VELGAPFSLK DATA SEQUENCE GLMGNPICSP QYWKPSTFGG EVGFKIINTA SIQSLIcNNV KGcPFTSFNV DATA SEQUENCE Q VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 33 A HA 0.000 nan 4.320 nan 0.000 0.244 33 A C 0.000 177.639 177.584 0.091 0.000 1.274 33 A CA 0.000 52.087 52.037 0.083 0.000 0.836 33 A CB 0.000 19.061 19.000 0.103 0.000 0.831 34 N N 2.678 121.419 118.700 0.070 0.000 2.386 34 N HA 0.072 4.811 4.740 -0.001 0.000 0.273 34 N C -1.547 173.995 175.510 0.054 0.000 1.331 34 N CA -0.449 52.637 53.050 0.060 0.000 0.891 34 N CB 1.096 39.605 38.487 0.038 0.000 1.139 34 N HN 0.299 nan 8.380 nan 0.000 0.487 35 P HA -0.052 nan 4.420 nan 0.000 0.234 35 P C 0.552 177.862 177.300 0.018 0.000 1.162 35 P CA 0.657 63.820 63.100 0.104 0.000 0.759 35 P CB 0.127 31.935 31.700 0.181 0.000 0.813 36 c N -1.996 116.589 118.600 -0.025 0.000 2.912 36 c HA 0.121 4.691 4.570 -0.001 0.000 0.274 36 c C 2.805 176.822 174.090 -0.122 0.000 1.248 36 c CA -0.204 56.049 56.329 -0.127 0.000 1.694 36 c CB -1.771 40.697 42.510 -0.070 0.000 2.024 36 c HN 0.330 nan 8.230 nan 0.000 0.605 37 c N 1.951 120.514 118.600 -0.063 0.000 2.382 37 c HA -0.181 4.389 4.570 -0.001 0.000 0.274 37 c C 2.780 176.824 174.090 -0.076 0.000 1.180 37 c CA 2.349 58.648 56.329 -0.051 0.000 1.799 37 c CB -1.421 41.079 42.510 -0.016 0.000 2.094 37 c HN 0.806 nan 8.230 nan 0.000 0.468 38 S N 0.361 116.001 115.700 -0.101 0.000 2.727 38 S HA -0.025 4.445 4.470 -0.001 0.000 0.226 38 S C 0.426 174.935 174.600 -0.151 0.000 0.963 38 S CA 0.424 58.559 58.200 -0.109 0.000 0.950 38 S CB -1.110 62.026 63.200 -0.107 0.000 0.779 38 S HN 0.761 nan 8.310 nan 0.000 0.532 39 N N 1.866 120.464 118.700 -0.170 0.000 2.702 39 N HA -0.116 4.623 4.740 -0.001 0.000 0.255 39 N C -1.787 173.598 175.510 -0.207 0.000 0.983 39 N CA 0.823 53.764 53.050 -0.183 0.000 0.768 39 N CB -0.916 37.480 38.487 -0.152 0.000 0.918 39 N HN 0.555 nan 8.380 nan 0.000 0.540 40 P HA -0.056 nan 4.420 nan 0.000 0.225 40 P C 0.209 177.395 177.300 -0.190 0.000 1.148 40 P CA 0.719 63.632 63.100 -0.312 0.000 0.779 40 P CB 0.041 31.304 31.700 -0.728 0.000 0.780 41 c N 2.692 121.189 118.600 -0.172 0.000 2.349 41 c HA 0.317 4.887 4.570 -0.001 0.000 0.348 41 c C 1.011 175.044 174.090 -0.096 0.000 1.223 41 c CA -0.667 55.615 56.329 -0.078 0.000 1.746 41 c CB -0.885 41.604 42.510 -0.035 0.000 2.360 41 c HN 0.264 nan 8.230 nan 0.000 0.533 42 Q N 1.713 121.455 119.800 -0.097 0.000 2.272 42 Q HA 0.202 4.542 4.340 -0.001 0.000 0.192 42 Q C 0.848 176.728 176.000 -0.200 0.000 1.059 42 Q CA -0.123 55.585 55.803 -0.159 0.000 1.084 42 Q CB 0.242 28.869 28.738 -0.184 0.000 1.139 42 Q HN 0.684 nan 8.270 nan 0.000 0.593 43 N N 0.406 118.916 118.700 -0.316 0.000 2.654 43 N HA -0.293 4.447 4.740 -0.001 0.000 0.248 43 N C 0.071 175.489 175.510 -0.153 0.000 1.116 43 N CA 1.397 54.216 53.050 -0.384 0.000 0.730 43 N CB -0.360 37.558 38.487 -0.948 0.000 1.040 43 N HN 0.642 nan 8.380 nan 0.000 0.548 44 R N -3.152 117.281 120.500 -0.113 0.000 3.296 44 R HA -0.111 4.228 4.340 -0.001 0.000 0.488 44 R C 0.755 177.050 176.300 -0.009 0.000 0.695 44 R CA 1.278 57.344 56.100 -0.056 0.000 1.396 44 R CB -1.649 28.637 30.300 -0.024 0.000 2.084 44 R HN 0.428 nan 8.270 nan 0.000 0.427 45 G N 0.535 109.337 108.800 0.004 0.000 2.690 45 G HA2 0.234 4.194 3.960 -0.001 0.000 0.239 45 G HA3 0.234 4.194 3.960 -0.001 0.000 0.239 45 G C -0.481 174.439 174.900 0.034 0.000 1.233 45 G CA -0.162 44.963 45.100 0.041 0.000 0.847 45 G HN 0.320 nan 8.290 nan 0.000 0.588 46 E N -1.147 119.091 120.200 0.063 0.000 2.242 46 E HA 0.317 4.667 4.350 -0.001 0.000 0.275 46 E C -0.649 175.995 176.600 0.074 0.000 1.002 46 E CA -0.540 55.905 56.400 0.075 0.000 0.841 46 E CB 1.886 31.654 29.700 0.113 0.000 1.109 46 E HN 0.392 nan 8.360 nan 0.000 0.394 47 c N 4.077 122.709 118.600 0.053 0.000 2.358 47 c HA 0.671 5.241 4.570 -0.001 0.000 0.342 47 c C -0.428 173.718 174.090 0.094 0.000 1.234 47 c CA -0.387 55.979 56.329 0.062 0.000 1.969 47 c CB -0.193 42.292 42.510 -0.042 0.000 2.346 47 c HN 0.789 nan 8.230 nan 0.000 0.525 48 M N 4.862 124.543 119.600 0.135 0.000 2.324 48 M HA 0.350 4.830 4.480 -0.001 0.000 0.288 48 M C -0.265 176.111 176.300 0.127 0.000 1.097 48 M CA -0.065 55.302 55.300 0.112 0.000 0.928 48 M CB 2.133 34.786 32.600 0.088 0.000 1.648 48 M HN 0.750 nan 8.290 nan 0.000 0.460 49 S N 2.246 118.000 115.700 0.090 0.000 2.700 49 S HA 0.170 4.640 4.470 -0.001 0.000 0.321 49 S C 0.505 175.122 174.600 0.028 0.000 1.161 49 S CA -0.408 57.837 58.200 0.075 0.000 1.078 49 S CB -0.866 62.357 63.200 0.037 0.000 1.302 49 S HN 0.691 nan 8.310 nan 0.000 0.540 50 T N 0.252 114.830 114.554 0.039 0.000 3.855 50 T HA 0.592 4.941 4.350 -0.001 0.000 0.306 50 T C 0.685 175.385 174.700 -0.000 0.000 1.575 50 T CA -0.052 62.051 62.100 0.006 0.000 1.214 50 T CB -0.917 67.954 68.868 0.005 0.000 1.262 50 T HN 1.408 nan 8.240 nan 0.000 0.883 51 G N 1.108 109.888 108.800 -0.032 0.000 2.459 51 G HA2 0.026 3.986 3.960 -0.001 0.000 0.685 51 G HA3 0.026 3.986 3.960 -0.001 0.000 0.685 51 G C -0.190 174.714 174.900 0.007 0.000 1.303 51 G CA -0.679 44.411 45.100 -0.016 0.000 0.907 51 G HN 0.181 nan 8.290 nan 0.000 0.632 52 F N 0.097 120.069 119.950 0.038 0.000 2.091 52 F HA -0.007 4.520 4.527 -0.000 0.000 0.299 52 F C 2.284 178.115 175.800 0.052 0.000 1.103 52 F CA 2.280 60.305 58.000 0.042 0.000 1.228 52 F CB 0.168 39.188 39.000 0.034 0.000 0.984 52 F HN 0.429 nan 8.300 nan 0.000 0.477 53 D N -0.672 119.877 120.400 0.248 0.000 2.462 53 D HA 0.119 4.759 4.640 -0.001 0.000 0.221 53 D C -0.137 176.247 176.300 0.141 0.000 1.173 53 D CA 0.226 54.328 54.000 0.170 0.000 0.831 53 D CB 0.360 41.238 40.800 0.130 0.000 1.001 53 D HN 0.317 nan 8.370 nan 0.000 0.499 54 Q N 0.223 120.098 119.800 0.125 0.000 2.348 54 Q HA 0.488 4.828 4.340 -0.001 0.000 0.271 54 Q C -0.874 175.205 176.000 0.131 0.000 1.067 54 Q CA -0.880 54.967 55.803 0.073 0.000 0.839 54 Q CB 2.162 30.911 28.738 0.018 0.000 1.354 54 Q HN 0.174 nan 8.270 nan 0.000 0.447 55 Y N -1.805 118.511 120.300 0.026 0.000 2.638 55 Y HA 0.859 5.409 4.550 -0.001 0.000 0.339 55 Y C -1.383 174.529 175.900 0.020 0.000 1.084 55 Y CA -1.204 56.908 58.100 0.020 0.000 1.068 55 Y CB 1.642 40.113 38.460 0.019 0.000 1.294 55 Y HN 0.354 nan 8.280 nan 0.000 0.480 56 K N 1.516 122.061 120.400 0.241 0.000 2.525 56 K HA 0.556 4.876 4.320 -0.001 0.000 0.254 56 K C -2.174 174.559 176.600 0.222 0.000 0.934 56 K CA -0.358 55.999 56.287 0.117 0.000 0.802 56 K CB 1.983 34.513 32.500 0.049 0.000 1.295 56 K HN 0.995 nan 8.250 nan 0.000 0.433 57 c N 2.211 120.924 118.600 0.189 0.000 2.295 57 c HA 0.318 4.888 4.570 -0.001 0.000 0.331 57 c C 0.052 174.208 174.090 0.109 0.000 1.280 57 c CA -0.719 55.706 56.329 0.160 0.000 1.746 57 c CB 0.359 42.969 42.510 0.167 0.000 2.328 57 c HN 0.684 nan 8.230 nan 0.000 0.521 58 D N 1.777 122.234 120.400 0.094 0.000 2.522 58 D HA 0.208 4.848 4.640 -0.001 0.000 0.218 58 D C 0.537 176.888 176.300 0.085 0.000 1.149 58 D CA -0.308 53.740 54.000 0.080 0.000 0.981 58 D CB 0.121 40.964 40.800 0.071 0.000 1.041 58 D HN 0.655 nan 8.370 nan 0.000 0.518 59 c N 2.590 121.250 118.600 0.100 0.000 2.477 59 c HA 0.082 4.652 4.570 -0.001 0.000 0.321 59 c C 0.921 175.080 174.090 0.114 0.000 1.369 59 c CA -0.380 56.022 56.329 0.122 0.000 1.607 59 c CB -2.168 40.442 42.510 0.167 0.000 1.632 59 c HN 0.448 nan 8.230 nan 0.000 0.597 60 T N 1.269 115.874 114.554 0.084 0.000 2.871 60 T HA 0.087 4.437 4.350 -0.001 0.000 0.296 60 T C 1.102 175.845 174.700 0.071 0.000 0.998 60 T CA 0.463 62.603 62.100 0.067 0.000 1.162 60 T CB 0.111 69.008 68.868 0.048 0.000 0.947 60 T HN 0.638 nan 8.240 nan 0.000 0.536 61 R N -0.084 120.454 120.500 0.064 0.000 4.010 61 R HA -0.252 4.087 4.340 -0.001 0.000 0.409 61 R C 2.024 178.377 176.300 0.089 0.000 1.120 61 R CA 1.506 57.641 56.100 0.059 0.000 1.244 61 R CB -2.296 28.030 30.300 0.042 0.000 1.799 61 R HN 0.937 nan 8.270 nan 0.000 0.559 62 T N -4.062 110.572 114.554 0.133 0.000 2.821 62 T HA 0.034 4.384 4.350 -0.001 0.000 0.267 62 T C 1.579 176.439 174.700 0.267 0.000 1.046 62 T CA 1.543 63.770 62.100 0.212 0.000 1.139 62 T CB 0.094 69.112 68.868 0.251 0.000 0.871 62 T HN 0.847 nan 8.240 nan 0.000 0.454 63 G N 0.372 109.263 108.800 0.152 0.000 2.163 63 G HA2 -0.064 3.896 3.960 -0.001 0.000 0.213 63 G HA3 -0.064 3.896 3.960 -0.001 0.000 0.213 63 G C -0.139 174.559 174.900 -0.335 0.000 0.991 63 G CA -0.138 44.920 45.100 -0.070 0.000 0.653 63 G HN 0.574 nan 8.290 nan 0.000 0.518 64 F N -0.505 119.509 119.950 0.108 0.000 2.629 64 F HA 0.806 5.332 4.527 -0.001 0.000 0.316 64 F C 0.204 176.131 175.800 0.211 0.000 1.081 64 F CA -1.292 56.762 58.000 0.089 0.000 0.954 64 F CB 1.415 40.411 39.000 -0.005 0.000 1.337 64 F HN 0.216 nan 8.300 nan 0.000 0.474 65 Y N -0.936 119.485 120.300 0.202 0.000 2.790 65 Y HA 0.946 5.495 4.550 -0.001 0.000 0.323 65 Y C 0.090 176.063 175.900 0.122 0.000 1.230 65 Y CA -2.076 56.100 58.100 0.127 0.000 1.121 65 Y CB 0.849 39.354 38.460 0.074 0.000 1.328 65 Y HN 1.049 nan 8.280 nan 0.000 0.514 66 G N 0.107 109.088 108.800 0.300 0.000 2.662 66 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.686 66 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.686 66 G C 0.308 175.278 174.900 0.116 0.000 1.271 66 G CA -0.058 45.139 45.100 0.162 0.000 0.816 66 G HN 1.193 nan 8.290 nan 0.000 0.608 67 E N -0.114 120.135 120.200 0.083 0.000 2.164 67 E HA -0.260 4.090 4.350 -0.001 0.000 0.206 67 E C 1.415 178.090 176.600 0.124 0.000 1.032 67 E CA 2.025 58.467 56.400 0.071 0.000 0.832 67 E CB -0.066 29.658 29.700 0.040 0.000 0.742 67 E HN 0.416 nan 8.360 nan 0.000 0.460 68 N N -0.995 117.766 118.700 0.103 0.000 2.282 68 N HA 0.106 4.845 4.740 -0.001 0.000 0.240 68 N C -0.872 174.658 175.510 0.033 0.000 1.182 68 N CA 0.429 53.534 53.050 0.092 0.000 0.874 68 N CB 0.409 38.935 38.487 0.065 0.000 1.126 68 N HN 0.149 nan 8.380 nan 0.000 0.516 69 c N 0.625 119.265 118.600 0.067 0.000 4.056 69 c HA -0.129 4.441 4.570 -0.001 0.000 0.302 69 c C 1.809 175.871 174.090 -0.047 0.000 1.356 69 c CA 1.031 57.407 56.329 0.078 0.000 2.074 69 c CB -2.997 39.546 42.510 0.056 0.000 1.328 69 c HN 0.571 nan 8.230 nan 0.000 0.684 70 T N -3.302 111.243 114.554 -0.016 0.000 3.085 70 T HA 0.148 4.498 4.350 -0.001 0.000 0.241 70 T C 0.788 175.528 174.700 0.066 0.000 0.988 70 T CA 1.011 63.067 62.100 -0.074 0.000 1.117 70 T CB -0.079 68.758 68.868 -0.052 0.000 0.978 70 T HN 0.820 nan 8.240 nan 0.000 0.454 71 T N 5.058 119.593 114.554 -0.031 0.000 2.779 71 T HA 0.344 4.694 4.350 -0.001 0.000 0.296 71 T C -2.648 171.882 174.700 -0.282 0.000 0.938 71 T CA -1.784 60.193 62.100 -0.204 0.000 1.119 71 T CB 0.531 69.120 68.868 -0.465 0.000 0.891 71 T HN 0.077 nan 8.240 nan 0.000 0.526 72 P HA 0.310 nan 4.420 nan 0.000 0.276 72 P C -0.250 176.904 177.300 -0.244 0.000 1.244 72 P CA -0.440 62.393 63.100 -0.445 0.000 0.801 72 P CB 0.822 32.297 31.700 -0.375 0.000 1.006 73 E N 0.071 120.188 120.200 -0.138 0.000 2.373 73 E HA 0.092 4.441 4.350 -0.001 0.000 0.263 73 E C 0.851 177.494 176.600 0.071 0.000 1.073 73 E CA -0.205 56.304 56.400 0.183 0.000 0.894 73 E CB -0.049 29.691 29.700 0.066 0.000 1.008 73 E HN 0.378 nan 8.360 nan 0.000 0.420 74 F N 2.948 122.919 119.950 0.034 0.000 2.087 74 F HA -0.248 4.279 4.527 -0.001 0.000 0.299 74 F C 1.516 177.296 175.800 -0.033 0.000 1.100 74 F CA 1.600 59.600 58.000 -0.000 0.000 1.226 74 F CB -0.166 38.841 39.000 0.013 0.000 0.983 74 F HN 0.494 nan 8.300 nan 0.000 0.479 75 L N -0.155 120.919 121.223 -0.248 0.000 2.353 75 L HA -0.173 4.166 4.340 -0.001 0.000 0.220 75 L C 2.058 178.738 176.870 -0.317 0.000 1.133 75 L CA 1.696 56.308 54.840 -0.380 0.000 0.798 75 L CB -0.552 41.439 42.059 -0.114 0.000 0.922 75 L HN 0.257 nan 8.230 nan 0.000 0.445 76 T N -1.243 113.144 114.554 -0.278 0.000 2.896 76 T HA -0.090 4.260 4.350 -0.001 0.000 0.263 76 T C 1.895 176.450 174.700 -0.241 0.000 1.050 76 T CA 0.782 62.703 62.100 -0.298 0.000 1.140 76 T CB -0.062 68.486 68.868 -0.535 0.000 0.877 76 T HN 0.343 nan 8.240 nan 0.000 0.457 77 R N 0.905 121.257 120.500 -0.247 0.000 2.082 77 R HA -0.047 4.292 4.340 -0.001 0.000 0.234 77 R C 2.382 178.568 176.300 -0.191 0.000 1.136 77 R CA 1.543 57.540 56.100 -0.171 0.000 0.935 77 R CB -0.820 29.386 30.300 -0.156 0.000 0.842 77 R HN 0.362 nan 8.270 nan 0.000 0.430 78 I N 1.396 121.771 120.570 -0.326 0.000 2.074 78 I HA -0.416 3.754 4.170 -0.001 0.000 0.238 78 I C 2.342 178.369 176.117 -0.151 0.000 1.037 78 I CA 1.786 62.924 61.300 -0.271 0.000 1.301 78 I CB -0.534 37.252 38.000 -0.356 0.000 1.016 78 I HN 0.209 nan 8.210 nan 0.000 0.400 79 K N 0.721 121.037 120.400 -0.139 0.000 2.044 79 K HA -0.183 4.137 4.320 -0.001 0.000 0.210 79 K C 2.134 178.715 176.600 -0.031 0.000 1.049 79 K CA 1.471 57.715 56.287 -0.071 0.000 0.927 79 K CB -0.427 32.037 32.500 -0.060 0.000 0.713 79 K HN 0.336 nan 8.250 nan 0.000 0.443 80 L N 0.967 122.175 121.223 -0.026 0.000 2.012 80 L HA -0.176 4.164 4.340 -0.001 0.000 0.210 80 L C 1.705 178.575 176.870 -0.001 0.000 1.073 80 L CA 1.078 55.926 54.840 0.013 0.000 0.748 80 L CB -0.511 41.566 42.059 0.030 0.000 0.891 80 L HN 0.193 nan 8.230 nan 0.000 0.431 81 L N 1.035 122.243 121.223 -0.025 0.000 2.919 81 L HA -0.007 4.333 4.340 -0.001 0.000 0.242 81 L C 0.332 177.186 176.870 -0.027 0.000 1.366 81 L CA -0.117 54.709 54.840 -0.023 0.000 1.212 81 L CB 0.155 42.195 42.059 -0.032 0.000 1.604 81 L HN 0.311 nan 8.230 nan 0.000 0.433 82 L N -0.805 120.408 121.223 -0.017 0.000 4.747 82 L HA 0.167 4.507 4.340 -0.001 0.000 0.474 82 L C 0.125 176.994 176.870 -0.003 0.000 0.968 82 L CA 0.300 55.129 54.840 -0.018 0.000 1.822 82 L CB 0.147 42.185 42.059 -0.034 0.000 1.767 82 L HN 0.079 nan 8.230 nan 0.000 0.617 83 K N 3.132 123.541 120.400 0.014 0.000 2.263 83 K HA 0.475 4.794 4.320 -0.001 0.000 0.282 83 K C -2.118 174.506 176.600 0.040 0.000 1.089 83 K CA -1.591 54.718 56.287 0.037 0.000 0.907 83 K CB 0.718 33.252 32.500 0.056 0.000 1.148 83 K HN -0.050 nan 8.250 nan 0.000 0.470 84 P HA -0.014 nan 4.420 nan 0.000 0.267 84 P C -0.375 176.963 177.300 0.064 0.000 1.205 84 P CA -0.293 62.834 63.100 0.043 0.000 0.765 84 P CB 0.579 32.304 31.700 0.042 0.000 0.828 85 T N 1.251 115.841 114.554 0.060 0.000 2.795 85 T HA 0.074 4.423 4.350 -0.001 0.000 0.314 85 T C -1.664 173.092 174.700 0.093 0.000 1.069 85 T CA -1.026 61.115 62.100 0.069 0.000 1.071 85 T CB -0.423 68.481 68.868 0.061 0.000 0.988 85 T HN 0.172 nan 8.240 nan 0.000 0.543 86 P HA -0.131 nan 4.420 nan 0.000 0.214 86 P C 1.600 179.000 177.300 0.167 0.000 1.163 86 P CA 1.228 64.400 63.100 0.120 0.000 0.889 86 P CB -0.078 31.675 31.700 0.089 0.000 0.790 87 N N -1.241 117.548 118.700 0.149 0.000 2.120 87 N HA -0.108 4.632 4.740 -0.001 0.000 0.188 87 N C 1.615 177.277 175.510 0.254 0.000 1.024 87 N CA 1.689 54.860 53.050 0.202 0.000 0.852 87 N CB -1.121 37.454 38.487 0.146 0.000 1.003 87 N HN 0.218 nan 8.380 nan 0.000 0.424 88 T N 1.895 116.550 114.554 0.169 0.000 2.622 88 T HA -0.096 4.254 4.350 -0.001 0.000 0.266 88 T C 2.356 177.182 174.700 0.210 0.000 1.047 88 T CA 1.444 63.630 62.100 0.144 0.000 1.159 88 T CB -0.545 68.367 68.868 0.074 0.000 0.863 88 T HN 0.013 nan 8.240 nan 0.000 0.422 89 V N 1.513 121.529 119.914 0.169 0.000 2.295 89 V HA -0.220 3.899 4.120 -0.001 0.000 0.246 89 V C 2.426 178.596 176.094 0.127 0.000 1.049 89 V CA 1.872 64.253 62.300 0.136 0.000 1.024 89 V CB -0.949 30.941 31.823 0.111 0.000 0.648 89 V HN 0.635 nan 8.190 nan 0.000 0.447 90 H N -1.011 118.118 119.070 0.098 0.000 2.422 90 H HA -0.254 4.302 4.556 -0.001 0.000 0.298 90 H C 2.263 177.679 175.328 0.147 0.000 1.098 90 H CA 2.446 58.538 56.048 0.074 0.000 1.315 90 H CB -0.088 29.758 29.762 0.140 0.000 1.382 90 H HN 0.550 nan 8.280 nan 0.000 0.523 91 Y N 1.372 121.783 120.300 0.184 0.000 2.060 91 Y HA -0.188 4.361 4.550 -0.001 0.000 0.276 91 Y C 2.780 178.925 175.900 0.408 0.000 1.127 91 Y CA 2.130 60.437 58.100 0.343 0.000 1.104 91 Y CB -0.633 37.994 38.460 0.278 0.000 0.983 91 Y HN 0.083 nan 8.280 nan 0.000 0.483 92 I N -0.145 120.767 120.570 0.571 0.000 2.399 92 I HA -0.321 3.848 4.170 -0.001 0.000 0.254 92 I C 2.063 178.426 176.117 0.411 0.000 1.146 92 I CA 0.727 62.287 61.300 0.433 0.000 1.412 92 I CB -0.545 37.528 38.000 0.122 0.000 1.076 92 I HN 0.330 nan 8.210 nan 0.000 0.432 93 L N 0.577 121.826 121.223 0.045 0.000 2.044 93 L HA -0.093 4.247 4.340 -0.001 0.000 0.205 93 L C 2.451 179.052 176.870 -0.448 0.000 1.075 93 L CA 2.074 56.686 54.840 -0.379 0.000 0.747 93 L CB -1.513 39.950 42.059 -0.994 0.000 0.903 93 L HN 0.294 nan 8.230 nan 0.000 0.435 94 T N -1.634 112.657 114.554 -0.439 0.000 3.148 94 T HA 0.055 4.405 4.350 -0.001 0.000 0.253 94 T C 0.753 175.132 174.700 -0.535 0.000 1.134 94 T CA 0.186 61.910 62.100 -0.627 0.000 1.051 94 T CB -0.109 68.366 68.868 -0.654 0.000 0.959 94 T HN 0.268 nan 8.240 nan 0.000 0.525 95 H N -0.617 118.521 119.070 0.113 0.000 3.160 95 H HA 0.364 4.919 4.556 -0.001 0.000 0.297 95 H C 0.167 175.966 175.328 0.785 0.000 1.605 95 H CA -1.498 54.733 56.048 0.306 0.000 1.418 95 H CB 0.417 30.136 29.762 -0.073 0.000 1.846 95 H HN 0.045 nan 8.280 nan 0.000 0.754 96 F N -0.059 120.138 119.950 0.411 0.000 3.097 96 F HA -0.258 4.269 4.527 -0.000 0.000 0.278 96 F C 1.845 177.824 175.800 0.299 0.000 0.917 96 F CA 0.891 59.054 58.000 0.271 0.000 0.962 96 F CB -1.608 37.489 39.000 0.162 0.000 0.964 96 F HN 0.504 nan 8.300 nan 0.000 0.668 97 K N 0.890 121.457 120.400 0.277 0.000 2.077 97 K HA -0.245 4.075 4.320 -0.001 0.000 0.213 97 K C 2.353 179.007 176.600 0.090 0.000 1.051 97 K CA 1.988 58.234 56.287 -0.068 0.000 0.929 97 K CB -0.732 31.365 32.500 -0.672 0.000 0.715 97 K HN 0.550 nan 8.250 nan 0.000 0.451 98 G N 0.197 109.032 108.800 0.058 0.000 2.440 98 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.218 98 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.218 98 G C 1.478 176.424 174.900 0.076 0.000 1.154 98 G CA 1.052 46.185 45.100 0.054 0.000 0.767 98 G HN 0.229 nan 8.290 nan 0.000 0.552 99 V N -0.248 119.707 119.914 0.069 0.000 2.237 99 V HA -0.196 3.924 4.120 -0.001 0.000 0.245 99 V C 2.447 178.516 176.094 -0.041 0.000 1.046 99 V CA 1.953 64.227 62.300 -0.043 0.000 1.007 99 V CB -0.863 30.866 31.823 -0.156 0.000 0.638 99 V HN 0.586 nan 8.190 nan 0.000 0.445 100 W N 0.517 121.898 121.300 0.135 0.000 2.304 100 W HA -0.298 4.362 4.660 -0.001 0.000 0.315 100 W C 2.576 179.178 176.519 0.138 0.000 1.233 100 W CA 1.903 59.344 57.345 0.160 0.000 1.261 100 W CB -0.693 28.912 29.460 0.242 0.000 1.150 100 W HN 0.332 nan 8.180 nan 0.000 0.494 101 N N 0.537 119.428 118.700 0.318 0.000 2.205 101 N HA -0.194 4.545 4.740 -0.001 0.000 0.186 101 N C 1.342 176.944 175.510 0.152 0.000 1.015 101 N CA 1.892 55.063 53.050 0.202 0.000 0.862 101 N CB -0.394 38.164 38.487 0.119 0.000 0.986 101 N HN 0.145 nan 8.380 nan 0.000 0.429 102 I N -0.833 119.809 120.570 0.120 0.000 2.163 102 I HA -0.238 3.932 4.170 -0.001 0.000 0.240 102 I C 2.081 178.256 176.117 0.098 0.000 1.081 102 I CA 0.696 62.043 61.300 0.079 0.000 1.353 102 I CB -0.490 37.532 38.000 0.037 0.000 1.054 102 I HN 0.026 nan 8.210 nan 0.000 0.407 103 V N 1.231 121.216 119.914 0.118 0.000 2.250 103 V HA -0.323 3.796 4.120 -0.001 0.000 0.250 103 V C 1.383 177.610 176.094 0.221 0.000 1.060 103 V CA 1.896 64.290 62.300 0.156 0.000 1.030 103 V CB -0.865 31.082 31.823 0.207 0.000 0.643 103 V HN 0.482 nan 8.190 nan 0.000 0.445 104 N N 0.701 119.580 118.700 0.300 0.000 2.810 104 N HA -0.053 4.687 4.740 -0.001 0.000 0.217 104 N C 0.317 175.890 175.510 0.105 0.000 1.647 104 N CA 0.369 53.558 53.050 0.231 0.000 0.945 104 N CB -1.244 37.361 38.487 0.197 0.000 1.316 104 N HN 0.537 nan 8.380 nan 0.000 0.512 105 I N -0.035 120.518 120.570 -0.029 0.000 2.755 105 I HA -0.317 3.852 4.170 -0.001 0.000 0.126 105 I C -1.060 174.857 176.117 -0.334 0.000 0.885 105 I CA -0.552 60.690 61.300 -0.098 0.000 2.786 105 I CB -0.554 37.481 38.000 0.058 0.000 0.577 105 I HN 0.078 nan 8.210 nan 0.000 0.352 106 P HA -0.284 nan 4.420 nan 0.000 0.218 106 P C 1.481 178.468 177.300 -0.520 0.000 1.132 106 P CA 2.090 64.786 63.100 -0.674 0.000 0.968 106 P CB -0.029 31.055 31.700 -1.026 0.000 0.783 107 F N -1.650 118.349 119.950 0.082 0.000 2.063 107 F HA -0.243 4.284 4.527 -0.001 0.000 0.296 107 F C 2.529 178.377 175.800 0.080 0.000 1.093 107 F CA 1.173 59.216 58.000 0.072 0.000 1.229 107 F CB -2.057 36.976 39.000 0.055 0.000 0.971 107 F HN -0.086 nan 8.300 nan 0.000 0.491 108 L N -0.540 120.758 121.223 0.124 0.000 1.994 108 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 108 L C 2.849 179.789 176.870 0.116 0.000 1.071 108 L CA 1.568 56.471 54.840 0.106 0.000 0.745 108 L CB -0.473 41.637 42.059 0.085 0.000 0.892 108 L HN 0.105 nan 8.230 nan 0.000 0.431 109 R N -0.396 120.197 120.500 0.155 0.000 2.096 109 R HA -0.196 4.144 4.340 -0.001 0.000 0.240 109 R C 2.300 178.786 176.300 0.309 0.000 1.139 109 R CA 2.094 58.409 56.100 0.358 0.000 0.952 109 R CB -0.174 30.318 30.300 0.321 0.000 0.854 109 R HN 0.300 nan 8.270 nan 0.000 0.436 110 S N 1.315 117.110 115.700 0.160 0.000 2.356 110 S HA -0.182 4.288 4.470 -0.001 0.000 0.223 110 S C 1.858 176.543 174.600 0.141 0.000 1.032 110 S CA 1.431 59.709 58.200 0.130 0.000 1.005 110 S CB -0.432 62.823 63.200 0.092 0.000 0.867 110 S HN 0.477 nan 8.310 nan 0.000 0.449 111 L N 1.473 122.777 121.223 0.134 0.000 2.083 111 L HA -0.021 4.318 4.340 -0.001 0.000 0.209 111 L C 1.861 178.809 176.870 0.130 0.000 1.083 111 L CA 1.603 56.514 54.840 0.120 0.000 0.752 111 L CB -0.554 41.563 42.059 0.097 0.000 0.899 111 L HN 0.133 nan 8.230 nan 0.000 0.433 112 I N -0.448 120.184 120.570 0.104 0.000 2.163 112 I HA -0.216 3.953 4.170 -0.001 0.000 0.240 112 I C 2.553 178.776 176.117 0.177 0.000 1.081 112 I CA 1.658 62.982 61.300 0.041 0.000 1.353 112 I CB -1.142 36.654 38.000 -0.339 0.000 1.054 112 I HN 0.441 nan 8.210 nan 0.000 0.407 113 M N 1.424 121.211 119.600 0.312 0.000 2.108 113 M HA -0.233 4.246 4.480 -0.001 0.000 0.261 113 M C 2.254 178.663 176.300 0.181 0.000 1.066 113 M CA 1.832 57.336 55.300 0.340 0.000 1.107 113 M CB -0.730 32.065 32.600 0.325 0.000 1.356 113 M HN 0.129 nan 8.290 nan 0.000 0.406 114 K N -1.494 118.995 120.400 0.149 0.000 2.074 114 K HA -0.270 4.050 4.320 -0.001 0.000 0.209 114 K C 2.136 178.811 176.600 0.124 0.000 1.048 114 K CA 1.992 58.339 56.287 0.099 0.000 0.926 114 K CB -0.642 31.919 32.500 0.103 0.000 0.713 114 K HN 0.493 nan 8.250 nan 0.000 0.444 115 Y N 1.180 121.520 120.300 0.066 0.000 2.293 115 Y HA -0.146 4.403 4.550 -0.001 0.000 0.291 115 Y C 1.829 177.785 175.900 0.093 0.000 1.137 115 Y CA 1.232 59.373 58.100 0.068 0.000 1.202 115 Y CB -0.120 38.367 38.460 0.045 0.000 0.990 115 Y HN 0.041 nan 8.280 nan 0.000 0.537 116 V N -1.918 117.946 119.914 -0.083 0.000 2.453 116 V HA -0.170 3.950 4.120 -0.001 0.000 0.247 116 V C 2.006 178.054 176.094 -0.077 0.000 1.048 116 V CA 1.513 63.751 62.300 -0.105 0.000 1.049 116 V CB -0.902 30.990 31.823 0.114 0.000 0.672 116 V HN 0.299 nan 8.190 nan 0.000 0.457 117 L N 2.128 123.338 121.223 -0.022 0.000 1.994 117 L HA -0.084 4.256 4.340 -0.001 0.000 0.208 117 L C 3.068 179.948 176.870 0.017 0.000 1.071 117 L CA 2.852 57.686 54.840 -0.010 0.000 0.745 117 L CB -1.957 40.063 42.059 -0.065 0.000 0.892 117 L HN 0.730 nan 8.230 nan 0.000 0.431 118 T N -2.919 111.638 114.554 0.005 0.000 2.674 118 T HA -0.178 4.171 4.350 -0.001 0.000 0.265 118 T C 2.094 176.852 174.700 0.096 0.000 1.039 118 T CA 1.716 63.863 62.100 0.079 0.000 1.150 118 T CB -0.901 68.020 68.868 0.088 0.000 0.864 118 T HN 0.392 nan 8.240 nan 0.000 0.427 119 S N 2.022 117.690 115.700 -0.054 0.000 2.359 119 S HA -0.133 4.337 4.470 -0.001 0.000 0.224 119 S C 2.246 176.851 174.600 0.008 0.000 1.035 119 S CA 0.896 59.132 58.200 0.060 0.000 1.018 119 S CB -0.541 62.496 63.200 -0.272 0.000 0.876 119 S HN 0.316 nan 8.310 nan 0.000 0.448 120 R N 1.824 122.286 120.500 -0.063 0.000 2.088 120 R HA 0.074 4.414 4.340 -0.001 0.000 0.232 120 R C 2.868 179.124 176.300 -0.073 0.000 1.136 120 R CA 1.919 57.981 56.100 -0.064 0.000 0.926 120 R CB -1.436 28.858 30.300 -0.011 0.000 0.837 120 R HN 0.537 nan 8.270 nan 0.000 0.429 121 S N 0.111 115.824 115.700 0.021 0.000 2.374 121 S HA -0.231 4.239 4.470 -0.001 0.000 0.227 121 S C 1.705 176.308 174.600 0.006 0.000 1.037 121 S CA 1.568 59.800 58.200 0.054 0.000 1.024 121 S CB -0.643 62.697 63.200 0.234 0.000 0.861 121 S HN 0.564 nan 8.310 nan 0.000 0.456 122 Y N 1.688 121.979 120.300 -0.015 0.000 2.556 122 Y HA -0.014 4.535 4.550 -0.001 0.000 0.290 122 Y C 1.521 177.375 175.900 -0.078 0.000 1.149 122 Y CA 0.473 58.551 58.100 -0.037 0.000 1.329 122 Y CB -0.394 38.055 38.460 -0.018 0.000 0.975 122 Y HN 0.131 nan 8.280 nan 0.000 0.561 123 L N 0.481 121.377 121.223 -0.546 0.000 2.418 123 L HA 0.118 4.457 4.340 -0.001 0.000 0.218 123 L C 0.237 176.867 176.870 -0.400 0.000 1.125 123 L CA 0.514 54.981 54.840 -0.623 0.000 0.835 123 L CB -0.673 41.046 42.059 -0.566 0.000 0.953 123 L HN 0.197 nan 8.230 nan 0.000 0.454 124 I N -0.683 119.756 120.570 -0.218 0.000 2.498 124 I HA 0.176 4.346 4.170 -0.001 0.000 0.301 124 I C 0.036 176.117 176.117 -0.061 0.000 0.984 124 I CA -0.544 60.694 61.300 -0.103 0.000 1.204 124 I CB 0.762 38.752 38.000 -0.016 0.000 1.362 124 I HN -0.169 nan 8.210 nan 0.000 0.471 125 D N 3.374 123.764 120.400 -0.015 0.000 2.316 125 D HA 0.380 5.019 4.640 -0.001 0.000 0.245 125 D C -0.677 175.610 176.300 -0.021 0.000 1.171 125 D CA 0.225 54.218 54.000 -0.012 0.000 0.856 125 D CB 1.138 41.945 40.800 0.012 0.000 1.090 125 D HN 0.326 nan 8.370 nan 0.000 0.476 126 S N 2.289 117.962 115.700 -0.045 0.000 2.776 126 S HA 0.416 4.886 4.470 -0.001 0.000 0.284 126 S C -2.489 172.082 174.600 -0.048 0.000 1.160 126 S CA -1.108 57.056 58.200 -0.061 0.000 1.051 126 S CB 1.299 64.423 63.200 -0.126 0.000 1.037 126 S HN 0.155 nan 8.310 nan 0.000 0.485 127 P HA 0.230 nan 4.420 nan 0.000 0.269 127 P C -2.486 174.823 177.300 0.015 0.000 1.217 127 P CA -0.900 62.219 63.100 0.033 0.000 0.783 127 P CB -0.039 31.727 31.700 0.110 0.000 0.898 128 P HA 0.090 nan 4.420 nan 0.000 0.272 128 P C -0.827 176.449 177.300 -0.041 0.000 1.240 128 P CA 0.133 63.223 63.100 -0.016 0.000 0.791 128 P CB 0.509 32.168 31.700 -0.068 0.000 0.978 129 T N -2.347 112.151 114.554 -0.093 0.000 2.956 129 T HA 0.560 4.909 4.350 -0.001 0.000 0.312 129 T C -1.223 173.343 174.700 -0.223 0.000 1.151 129 T CA -0.612 61.305 62.100 -0.306 0.000 1.024 129 T CB 0.412 68.969 68.868 -0.519 0.000 1.140 129 T HN 0.413 nan 8.240 nan 0.000 0.473 130 Y N -0.080 120.219 120.300 -0.001 0.000 2.518 130 Y HA 0.030 4.580 4.550 -0.000 0.000 0.022 130 Y C 0.156 176.029 175.900 -0.045 0.000 1.713 130 Y CA 0.585 58.679 58.100 -0.009 0.000 1.411 130 Y CB -1.150 37.305 38.460 -0.008 0.000 2.057 130 Y HN 1.463 nan 8.280 nan 0.000 0.256 131 N N -2.888 115.890 118.700 0.130 0.000 3.308 131 N HA 0.514 5.254 4.740 -0.001 0.000 0.276 131 N C -0.060 175.436 175.510 -0.023 0.000 1.533 131 N CA -0.347 52.709 53.050 0.010 0.000 0.878 131 N CB 0.347 38.739 38.487 -0.159 0.000 1.566 131 N HN 0.391 nan 8.380 nan 0.000 0.546 132 V N 0.303 120.172 119.914 -0.076 0.000 2.252 132 V HA -0.330 3.790 4.120 -0.001 0.000 0.255 132 V C 1.806 177.808 176.094 -0.153 0.000 1.071 132 V CA 2.427 64.614 62.300 -0.188 0.000 1.050 132 V CB -1.155 30.372 31.823 -0.494 0.000 0.654 132 V HN 0.709 nan 8.190 nan 0.000 0.448 133 H N -2.767 116.304 119.070 0.002 0.000 2.520 133 H HA 0.168 4.724 4.556 -0.001 0.000 0.279 133 H C 0.192 175.172 175.328 -0.580 0.000 0.990 133 H CA 0.137 56.045 56.048 -0.233 0.000 1.288 133 H CB -0.047 29.602 29.762 -0.190 0.000 1.446 133 H HN 0.480 nan 8.280 nan 0.000 0.538 134 Y N 0.681 120.927 120.300 -0.089 0.000 2.434 134 Y HA 0.353 4.902 4.550 -0.000 0.000 0.341 134 Y C 1.503 177.328 175.900 -0.125 0.000 0.965 134 Y CA -0.538 57.406 58.100 -0.260 0.000 1.205 134 Y CB 1.476 39.782 38.460 -0.256 0.000 1.121 134 Y HN 0.080 nan 8.280 nan 0.000 0.507 135 G N 2.676 111.368 108.800 -0.180 0.000 2.813 135 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.209 135 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.209 135 G C -0.167 174.917 174.900 0.307 0.000 1.150 135 G CA 0.338 45.431 45.100 -0.011 0.000 0.785 135 G HN 0.572 nan 8.290 nan 0.000 0.535 136 Y N -3.206 117.362 120.300 0.447 0.000 2.602 136 Y HA 0.761 5.311 4.550 -0.001 0.000 0.342 136 Y C 1.088 177.067 175.900 0.131 0.000 1.029 136 Y CA -2.428 55.890 58.100 0.364 0.000 1.080 136 Y CB 0.931 39.526 38.460 0.223 0.000 1.284 136 Y HN -0.213 nan 8.280 nan 0.000 0.485 137 K N 1.335 121.825 120.400 0.149 0.000 2.020 137 K HA -0.099 4.221 4.320 -0.001 0.000 0.212 137 K C 0.307 176.919 176.600 0.020 0.000 1.050 137 K CA 1.787 58.018 56.287 -0.095 0.000 0.929 137 K CB -0.438 31.988 32.500 -0.122 0.000 0.714 137 K HN 0.958 nan 8.250 nan 0.000 0.443 138 S N -0.965 114.832 115.700 0.162 0.000 3.661 138 S HA -0.248 4.222 4.470 -0.001 0.000 0.856 138 S C 0.712 175.310 174.600 -0.003 0.000 1.259 138 S CA 0.730 58.980 58.200 0.082 0.000 0.753 138 S CB -0.714 62.533 63.200 0.077 0.000 0.736 138 S HN 0.504 nan 8.310 nan 0.000 0.290 139 W N 3.520 124.777 121.300 -0.073 0.000 2.392 139 W HA -0.106 4.554 4.660 -0.001 0.000 0.279 139 W C 1.791 178.310 176.519 -0.001 0.000 1.225 139 W CA 1.706 59.052 57.345 0.001 0.000 1.233 139 W CB -0.366 29.091 29.460 -0.005 0.000 1.122 139 W HN 1.073 nan 8.180 nan 0.000 0.561 140 E N 0.863 120.995 120.200 -0.112 0.000 2.046 140 E HA -0.129 4.221 4.350 -0.001 0.000 0.190 140 E C 2.270 178.606 176.600 -0.440 0.000 0.982 140 E CA 2.278 58.526 56.400 -0.253 0.000 0.800 140 E CB -0.797 28.691 29.700 -0.354 0.000 0.756 140 E HN 0.020 nan 8.360 nan 0.000 0.449 141 A N 0.061 122.502 122.820 -0.632 0.000 1.940 141 A HA -0.154 4.165 4.320 -0.001 0.000 0.219 141 A C 2.210 179.566 177.584 -0.380 0.000 1.176 141 A CA 1.619 53.341 52.037 -0.524 0.000 0.631 141 A CB -0.999 17.779 19.000 -0.369 0.000 0.814 141 A HN 0.523 nan 8.150 nan 0.000 0.446 142 F N 1.644 121.313 119.950 -0.467 0.000 2.163 142 F HA -0.106 4.420 4.527 -0.001 0.000 0.297 142 F C 2.521 178.009 175.800 -0.520 0.000 1.094 142 F CA 2.047 59.747 58.000 -0.501 0.000 1.290 142 F CB -0.269 38.342 39.000 -0.648 0.000 1.017 142 F HN 0.271 nan 8.300 nan 0.000 0.483 143 S N -0.862 114.267 115.700 -0.951 0.000 2.483 143 S HA 0.036 4.506 4.470 -0.001 0.000 0.221 143 S C 0.985 175.328 174.600 -0.428 0.000 1.030 143 S CA -0.007 57.684 58.200 -0.849 0.000 0.925 143 S CB -0.809 62.081 63.200 -0.515 0.000 0.795 143 S HN 0.347 nan 8.310 nan 0.000 0.511 144 N N 2.516 121.070 118.700 -0.244 0.000 2.454 144 N HA 0.118 4.858 4.740 -0.001 0.000 0.285 144 N C 0.509 176.038 175.510 0.032 0.000 1.233 144 N CA -0.044 53.008 53.050 0.003 0.000 1.036 144 N CB -0.322 38.320 38.487 0.258 0.000 1.423 144 N HN 0.458 nan 8.380 nan 0.000 0.495 145 L N 1.257 122.429 121.223 -0.084 0.000 2.642 145 L HA -0.095 4.245 4.340 -0.001 0.000 0.236 145 L C 1.470 178.382 176.870 0.070 0.000 1.169 145 L CA 0.469 55.236 54.840 -0.121 0.000 0.851 145 L CB -0.183 41.767 42.059 -0.182 0.000 0.968 145 L HN 0.369 nan 8.230 nan 0.000 0.453 146 S N -1.688 114.098 115.700 0.145 0.000 2.603 146 S HA 0.071 4.541 4.470 -0.001 0.000 0.220 146 S C 0.102 174.826 174.600 0.207 0.000 0.967 146 S CA 0.098 58.372 58.200 0.123 0.000 0.920 146 S CB -0.115 63.106 63.200 0.036 0.000 0.773 146 S HN 0.225 nan 8.310 nan 0.000 0.529 147 Y N -0.220 120.141 120.300 0.103 0.000 2.496 147 Y HA 0.480 5.029 4.550 -0.001 0.000 0.331 147 Y C -0.192 175.678 175.900 -0.050 0.000 1.140 147 Y CA -1.393 56.690 58.100 -0.028 0.000 1.166 147 Y CB 0.571 38.998 38.460 -0.054 0.000 1.249 147 Y HN 0.005 nan 8.280 nan 0.000 0.479 148 Y N 0.382 120.768 120.300 0.144 0.000 2.308 148 Y HA 0.230 4.780 4.550 -0.001 0.000 0.329 148 Y C 0.873 176.826 175.900 0.087 0.000 1.111 148 Y CA -0.419 57.745 58.100 0.106 0.000 1.179 148 Y CB 1.291 39.770 38.460 0.032 0.000 1.201 148 Y HN 0.546 nan 8.280 nan 0.000 0.483 149 T N 2.434 117.132 114.554 0.240 0.000 2.726 149 T HA 0.386 4.736 4.350 -0.001 0.000 0.294 149 T C -0.534 174.235 174.700 0.116 0.000 1.013 149 T CA -0.385 61.786 62.100 0.120 0.000 0.996 149 T CB 0.397 69.307 68.868 0.071 0.000 1.016 149 T HN 0.625 nan 8.240 nan 0.000 0.529 150 R N 0.833 121.402 120.500 0.116 0.000 2.502 150 R HA 0.653 4.992 4.340 -0.001 0.000 0.300 150 R C 0.724 177.139 176.300 0.191 0.000 0.984 150 R CA 0.078 56.242 56.100 0.107 0.000 0.882 150 R CB 0.856 31.186 30.300 0.049 0.000 1.180 150 R HN 0.690 nan 8.270 nan 0.000 0.444 151 A N 4.757 127.733 122.820 0.260 0.000 1.933 151 A HA 0.054 4.373 4.320 -0.001 0.000 0.218 151 A C 0.364 178.064 177.584 0.193 0.000 1.175 151 A CA 1.050 53.293 52.037 0.344 0.000 0.628 151 A CB -0.176 19.215 19.000 0.650 0.000 0.814 151 A HN 0.509 nan 8.150 nan 0.000 0.444 152 L N 0.636 121.926 121.223 0.112 0.000 2.362 152 L HA 0.351 4.691 4.340 -0.001 0.000 0.275 152 L C -2.386 174.337 176.870 -0.245 0.000 0.998 152 L CA -2.579 52.160 54.840 -0.168 0.000 0.820 152 L CB 2.395 44.202 42.059 -0.419 0.000 1.270 152 L HN 0.065 nan 8.230 nan 0.000 0.415 153 P HA 0.077 nan 4.420 nan 0.000 0.269 153 P C -2.643 174.498 177.300 -0.265 0.000 1.211 153 P CA -0.806 62.001 63.100 -0.487 0.000 0.781 153 P CB -0.252 30.966 31.700 -0.803 0.000 0.877 154 P HA 0.081 nan 4.420 nan 0.000 0.302 154 P C -0.414 176.830 177.300 -0.092 0.000 1.301 154 P CA -0.113 62.924 63.100 -0.105 0.000 0.745 154 P CB 0.470 32.131 31.700 -0.065 0.000 1.331 155 V N -0.265 119.626 119.914 -0.039 0.000 2.513 155 V HA 0.404 4.524 4.120 -0.001 0.000 0.299 155 V C 0.475 176.558 176.094 -0.018 0.000 1.035 155 V CA -0.907 61.375 62.300 -0.030 0.000 0.889 155 V CB 0.961 32.785 31.823 0.001 0.000 0.988 155 V HN 0.712 nan 8.190 nan 0.000 0.440 156 A N 3.148 125.955 122.820 -0.021 0.000 2.561 156 A HA 0.034 4.354 4.320 -0.001 0.000 0.251 156 A C 1.033 178.623 177.584 0.010 0.000 1.062 156 A CA -0.007 52.027 52.037 -0.005 0.000 0.761 156 A CB -0.294 18.708 19.000 0.004 0.000 0.986 156 A HN 0.929 nan 8.150 nan 0.000 0.510 157 D N 1.020 121.428 120.400 0.013 0.000 2.357 157 D HA -0.118 4.522 4.640 -0.001 0.000 0.216 157 D C 0.747 177.065 176.300 0.028 0.000 0.973 157 D CA 1.893 55.907 54.000 0.023 0.000 0.912 157 D CB 0.184 40.998 40.800 0.023 0.000 0.900 157 D HN 0.774 nan 8.370 nan 0.000 0.501 158 D N -0.225 120.193 120.400 0.030 0.000 3.035 158 D HA 0.036 4.676 4.640 -0.001 0.000 0.290 158 D C -0.616 175.704 176.300 0.034 0.000 1.360 158 D CA -0.434 53.588 54.000 0.037 0.000 0.862 158 D CB -0.644 40.184 40.800 0.047 0.000 1.078 158 D HN -0.043 nan 8.370 nan 0.000 0.487 159 c N 1.937 120.554 118.600 0.028 0.000 2.355 159 c HA 0.352 4.922 4.570 -0.001 0.000 0.332 159 c C -0.356 173.751 174.090 0.027 0.000 1.255 159 c CA -1.199 55.144 56.329 0.024 0.000 1.792 159 c CB 2.018 44.537 42.510 0.015 0.000 2.300 159 c HN 0.303 nan 8.230 nan 0.000 0.515 160 P HA -0.125 nan 4.420 nan 0.000 0.214 160 P C 0.448 177.766 177.300 0.030 0.000 1.169 160 P CA 1.929 65.046 63.100 0.028 0.000 0.908 160 P CB -0.202 31.515 31.700 0.027 0.000 0.791 161 T N -5.938 108.635 114.554 0.031 0.000 2.888 161 T HA 0.434 4.784 4.350 -0.001 0.000 0.284 161 T C -2.247 172.478 174.700 0.043 0.000 1.017 161 T CA -2.332 59.791 62.100 0.039 0.000 1.022 161 T CB 2.078 70.972 68.868 0.043 0.000 1.013 161 T HN -0.250 nan 8.240 nan 0.000 0.465 162 P HA -0.084 nan 4.420 nan 0.000 0.217 162 P C 1.090 178.429 177.300 0.065 0.000 1.151 162 P CA 1.207 64.345 63.100 0.062 0.000 0.849 162 P CB 0.017 31.763 31.700 0.076 0.000 0.787 163 M N -1.630 118.009 119.600 0.066 0.000 2.631 163 M HA 0.278 4.757 4.480 -0.001 0.000 0.241 163 M C 1.336 177.651 176.300 0.024 0.000 1.255 163 M CA 0.371 55.704 55.300 0.056 0.000 0.983 163 M CB -0.948 31.692 32.600 0.067 0.000 1.580 163 M HN 0.101 nan 8.290 nan 0.000 0.464 164 G N 0.342 109.153 108.800 0.019 0.000 4.257 164 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.270 164 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.270 164 G C 0.488 175.393 174.900 0.007 0.000 1.717 164 G CA 0.275 45.374 45.100 -0.001 0.000 1.170 164 G HN 0.286 nan 8.290 nan 0.000 0.642 165 V N 1.673 121.589 119.914 0.004 0.000 3.250 165 V HA 0.415 4.535 4.120 -0.001 0.000 0.240 165 V C 1.082 177.189 176.094 0.022 0.000 1.275 165 V CA 1.668 63.975 62.300 0.012 0.000 1.206 165 V CB 0.056 31.881 31.823 0.003 0.000 0.976 165 V HN 0.472 nan 8.190 nan 0.000 0.467 166 K N 1.053 121.466 120.400 0.023 0.000 2.319 166 K HA 0.492 4.812 4.320 -0.001 0.000 0.265 166 K C 0.407 177.041 176.600 0.056 0.000 1.000 166 K CA 0.905 57.215 56.287 0.037 0.000 0.943 166 K CB 0.543 33.064 32.500 0.035 0.000 0.950 166 K HN 0.629 nan 8.250 nan 0.000 0.485 167 G N 1.494 110.335 108.800 0.067 0.000 2.710 167 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.668 167 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.668 167 G C -0.798 174.140 174.900 0.063 0.000 1.320 167 G CA -0.885 44.265 45.100 0.083 0.000 0.860 167 G HN 0.673 nan 8.290 nan 0.000 0.538 168 N N -0.332 118.405 118.700 0.061 0.000 2.434 168 N HA 0.265 5.004 4.740 -0.001 0.000 0.266 168 N C 1.160 176.693 175.510 0.039 0.000 1.223 168 N CA -0.462 52.612 53.050 0.041 0.000 0.972 168 N CB 0.928 39.432 38.487 0.028 0.000 1.207 168 N HN 0.486 nan 8.380 nan 0.000 0.525 169 K N 0.543 120.960 120.400 0.029 0.000 2.520 169 K HA -0.072 4.248 4.320 -0.001 0.000 0.197 169 K C -0.421 176.196 176.600 0.029 0.000 1.044 169 K CA 1.302 57.605 56.287 0.027 0.000 0.938 169 K CB -0.098 32.414 32.500 0.021 0.000 0.767 169 K HN 0.491 nan 8.250 nan 0.000 0.481 170 E N -1.616 118.601 120.200 0.029 0.000 2.401 170 E HA 0.241 4.590 4.350 -0.001 0.000 0.280 170 E C -1.473 175.144 176.600 0.029 0.000 1.039 170 E CA -0.710 55.707 56.400 0.028 0.000 0.814 170 E CB 1.114 30.822 29.700 0.014 0.000 1.275 170 E HN -0.217 nan 8.360 nan 0.000 0.448 171 L N 2.319 123.566 121.223 0.040 0.000 2.421 171 L HA 0.470 4.809 4.340 -0.001 0.000 0.263 171 L C -1.866 174.974 176.870 -0.051 0.000 1.122 171 L CA -1.891 52.973 54.840 0.040 0.000 0.804 171 L CB -0.554 41.582 42.059 0.129 0.000 1.150 171 L HN 0.505 nan 8.230 nan 0.000 0.457 172 P HA -0.060 nan 4.420 nan 0.000 0.264 172 P C -0.545 176.684 177.300 -0.119 0.000 1.179 172 P CA -0.278 62.682 63.100 -0.234 0.000 0.763 172 P CB 0.359 31.750 31.700 -0.515 0.000 0.806 173 D N 1.831 122.180 120.400 -0.085 0.000 2.533 173 D HA -0.074 4.565 4.640 -0.001 0.000 0.236 173 D C 1.160 177.441 176.300 -0.032 0.000 1.137 173 D CA 0.398 54.372 54.000 -0.045 0.000 0.867 173 D CB 0.645 41.421 40.800 -0.039 0.000 1.170 173 D HN 0.261 nan 8.370 nan 0.000 0.474 174 S N 3.726 119.424 115.700 -0.004 0.000 2.359 174 S HA -0.322 4.148 4.470 -0.001 0.000 0.223 174 S C 1.743 176.354 174.600 0.018 0.000 1.039 174 S CA 1.328 59.541 58.200 0.022 0.000 1.042 174 S CB -0.454 62.759 63.200 0.021 0.000 0.915 174 S HN 0.580 nan 8.310 nan 0.000 0.439 175 K N 1.708 122.111 120.400 0.004 0.000 2.160 175 K HA -0.083 4.237 4.320 -0.001 0.000 0.206 175 K C 2.077 178.675 176.600 -0.004 0.000 1.047 175 K CA 1.859 58.147 56.287 0.001 0.000 0.930 175 K CB -0.531 31.965 32.500 -0.006 0.000 0.720 175 K HN 0.631 nan 8.250 nan 0.000 0.450 176 E N -0.913 119.277 120.200 -0.017 0.000 2.152 176 E HA -0.080 4.270 4.350 -0.001 0.000 0.192 176 E C 1.515 178.104 176.600 -0.018 0.000 0.983 176 E CA 0.980 57.364 56.400 -0.028 0.000 0.818 176 E CB 0.268 29.936 29.700 -0.054 0.000 0.758 176 E HN 0.165 nan 8.360 nan 0.000 0.467 177 V N 1.282 121.197 119.914 0.000 0.000 2.535 177 V HA -0.166 3.953 4.120 -0.001 0.000 0.246 177 V C 2.320 178.441 176.094 0.046 0.000 1.045 177 V CA 0.808 63.134 62.300 0.043 0.000 1.058 177 V CB -0.485 31.405 31.823 0.111 0.000 0.689 177 V HN 0.379 nan 8.190 nan 0.000 0.461 178 L N 0.579 121.828 121.223 0.043 0.000 1.971 178 L HA -0.253 4.087 4.340 -0.001 0.000 0.215 178 L C 2.576 179.458 176.870 0.020 0.000 1.072 178 L CA 2.473 57.337 54.840 0.041 0.000 0.758 178 L CB -0.446 41.636 42.059 0.038 0.000 0.889 178 L HN 0.453 nan 8.230 nan 0.000 0.433 179 E N -0.423 119.782 120.200 0.009 0.000 2.028 179 E HA -0.214 4.136 4.350 -0.001 0.000 0.190 179 E C 2.169 178.766 176.600 -0.005 0.000 0.984 179 E CA 1.114 57.514 56.400 -0.001 0.000 0.800 179 E CB -0.015 29.681 29.700 -0.007 0.000 0.758 179 E HN 0.462 nan 8.360 nan 0.000 0.448 180 K N 0.343 120.740 120.400 -0.005 0.000 2.097 180 K HA -0.110 4.209 4.320 -0.001 0.000 0.206 180 K C 1.959 178.558 176.600 -0.002 0.000 1.049 180 K CA 1.642 57.924 56.287 -0.008 0.000 0.933 180 K CB 0.259 32.751 32.500 -0.014 0.000 0.717 180 K HN 0.149 nan 8.250 nan 0.000 0.442 181 V N -3.514 116.404 119.914 0.008 0.000 3.485 181 V HA 0.139 4.259 4.120 -0.001 0.000 0.280 181 V C 1.367 177.455 176.094 -0.010 0.000 1.495 181 V CA -0.111 62.191 62.300 0.004 0.000 1.018 181 V CB -0.131 31.707 31.823 0.026 0.000 0.818 181 V HN 0.042 nan 8.190 nan 0.000 0.436 182 L N 0.059 121.278 121.223 -0.006 0.000 2.265 182 L HA 0.368 4.708 4.340 -0.001 0.000 0.195 182 L C 1.055 177.920 176.870 -0.009 0.000 1.083 182 L CA 0.385 55.215 54.840 -0.017 0.000 0.798 182 L CB -0.058 41.996 42.059 -0.008 0.000 0.989 182 L HN 0.174 nan 8.230 nan 0.000 0.472 183 L N 1.328 122.551 121.223 -0.001 0.000 2.529 183 L HA -0.072 4.267 4.340 -0.001 0.000 0.287 183 L C 0.794 177.657 176.870 -0.012 0.000 1.241 183 L CA 0.331 55.169 54.840 -0.004 0.000 0.857 183 L CB 0.007 42.062 42.059 -0.007 0.000 1.113 183 L HN 0.242 nan 8.230 nan 0.000 0.504 184 R N 2.599 123.094 120.500 -0.009 0.000 2.410 184 R HA 0.276 4.615 4.340 -0.001 0.000 0.288 184 R C 0.256 176.552 176.300 -0.006 0.000 1.051 184 R CA -0.576 55.519 56.100 -0.009 0.000 1.021 184 R CB 0.891 31.198 30.300 0.011 0.000 1.032 184 R HN 0.629 nan 8.270 nan 0.000 0.481 185 R N 2.155 122.651 120.500 -0.007 0.000 2.207 185 R HA 0.219 4.558 4.340 -0.001 0.000 0.180 185 R C -0.003 176.304 176.300 0.012 0.000 1.445 185 R CA 0.191 56.289 56.100 -0.004 0.000 1.217 185 R CB -0.336 29.957 30.300 -0.012 0.000 1.135 185 R HN 0.584 nan 8.270 nan 0.000 0.481 186 E N 1.629 121.832 120.200 0.005 0.000 2.197 186 E HA 0.162 4.512 4.350 -0.001 0.000 0.281 186 E C -1.107 175.515 176.600 0.037 0.000 0.995 186 E CA -0.748 55.669 56.400 0.027 0.000 0.808 186 E CB 1.280 30.983 29.700 0.003 0.000 1.093 186 E HN -0.049 nan 8.360 nan 0.000 0.394 187 F N 5.080 125.005 119.950 -0.041 0.000 2.557 187 F HA 0.108 4.635 4.527 -0.001 0.000 0.384 187 F C -0.238 175.533 175.800 -0.049 0.000 1.057 187 F CA 0.059 58.031 58.000 -0.045 0.000 1.169 187 F CB 0.069 39.039 39.000 -0.050 0.000 1.070 187 F HN 0.306 nan 8.300 nan 0.000 0.554 188 I N 9.437 129.582 120.570 -0.709 0.000 2.315 188 I HA 0.278 4.447 4.170 -0.001 0.000 0.291 188 I C -1.986 173.493 176.117 -1.063 0.000 1.006 188 I CA -2.028 58.909 61.300 -0.605 0.000 1.265 188 I CB 1.189 38.969 38.000 -0.367 0.000 1.387 188 I HN 0.475 nan 8.210 nan 0.000 0.475 189 P HA 0.121 nan 4.420 nan 0.000 0.278 189 P C -1.114 175.997 177.300 -0.314 0.000 1.258 189 P CA -0.442 62.371 63.100 -0.479 0.000 0.811 189 P CB 1.126 32.798 31.700 -0.046 0.000 1.063 190 D N 1.397 121.665 120.400 -0.220 0.000 2.348 190 D HA 0.090 4.730 4.640 -0.001 0.000 0.253 190 D C -1.234 174.944 176.300 -0.204 0.000 1.161 190 D CA -2.159 51.692 54.000 -0.249 0.000 0.876 190 D CB 0.405 41.039 40.800 -0.276 0.000 1.160 190 D HN 0.166 nan 8.370 nan 0.000 0.459 191 P HA -0.100 nan 4.420 nan 0.000 0.237 191 P C 0.600 177.791 177.300 -0.181 0.000 1.178 191 P CA 0.830 63.828 63.100 -0.170 0.000 0.766 191 P CB 0.395 31.997 31.700 -0.164 0.000 0.876 192 Q N -1.230 118.424 119.800 -0.244 0.000 2.396 192 Q HA 0.215 4.555 4.340 -0.001 0.000 0.209 192 Q C 1.232 177.118 176.000 -0.191 0.000 0.906 192 Q CA 0.697 56.334 55.803 -0.275 0.000 0.927 192 Q CB 0.196 28.669 28.738 -0.441 0.000 1.069 192 Q HN 0.290 nan 8.270 nan 0.000 0.523 193 G N 0.729 109.447 108.800 -0.137 0.000 2.179 193 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.220 193 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.220 193 G C 0.050 174.934 174.900 -0.028 0.000 0.990 193 G CA 0.028 45.101 45.100 -0.045 0.000 0.646 193 G HN 0.222 nan 8.290 nan 0.000 0.517 194 S N 2.014 117.638 115.700 -0.126 0.000 2.737 194 S HA 0.296 4.766 4.470 -0.001 0.000 0.315 194 S C 1.016 175.535 174.600 -0.135 0.000 1.236 194 S CA 0.691 58.712 58.200 -0.298 0.000 1.093 194 S CB 0.309 63.115 63.200 -0.657 0.000 0.832 194 S HN 0.913 nan 8.310 nan 0.000 0.507 195 N N 3.107 121.786 118.700 -0.034 0.000 2.531 195 N HA 0.317 5.056 4.740 -0.001 0.000 0.301 195 N C 0.759 176.317 175.510 0.080 0.000 1.310 195 N CA -0.702 52.379 53.050 0.051 0.000 0.949 195 N CB -0.053 38.497 38.487 0.106 0.000 1.111 195 N HN 0.270 nan 8.380 nan 0.000 0.565 196 M N -0.809 118.828 119.600 0.061 0.000 2.447 196 M HA 0.171 4.651 4.480 -0.001 0.000 0.264 196 M C 1.462 177.859 176.300 0.161 0.000 1.095 196 M CA 0.688 55.926 55.300 -0.103 0.000 1.125 196 M CB -0.964 31.291 32.600 -0.575 0.000 1.389 196 M HN 0.446 nan 8.290 nan 0.000 0.459 197 M N -0.644 119.181 119.600 0.375 0.000 2.117 197 M HA -0.169 4.310 4.480 -0.001 0.000 0.262 197 M C 2.227 178.970 176.300 0.737 0.000 1.065 197 M CA 1.561 57.221 55.300 0.600 0.000 1.114 197 M CB -1.369 31.536 32.600 0.510 0.000 1.361 197 M HN 0.221 nan 8.290 nan 0.000 0.408 198 F N 1.107 121.273 119.950 0.360 0.000 2.074 198 F HA -0.029 4.498 4.527 -0.000 0.000 0.293 198 F C 2.370 178.245 175.800 0.125 0.000 1.116 198 F CA 1.646 59.671 58.000 0.042 0.000 1.212 198 F CB -0.753 38.144 39.000 -0.171 0.000 0.998 198 F HN 0.113 nan 8.300 nan 0.000 0.471 199 A N 0.310 123.441 122.820 0.518 0.000 1.903 199 A HA -0.248 4.071 4.320 -0.001 0.000 0.219 199 A C 2.105 179.743 177.584 0.090 0.000 1.191 199 A CA 2.210 54.398 52.037 0.251 0.000 0.638 199 A CB -1.631 17.340 19.000 -0.047 0.000 0.823 199 A HN 0.466 nan 8.150 nan 0.000 0.451 200 F N -2.022 118.077 119.950 0.247 0.000 2.325 200 F HA 0.051 4.577 4.527 -0.001 0.000 0.299 200 F C 1.899 177.837 175.800 0.232 0.000 1.090 200 F CA 0.404 58.551 58.000 0.245 0.000 1.392 200 F CB -0.774 38.394 39.000 0.280 0.000 1.053 200 F HN 0.338 nan 8.300 nan 0.000 0.521 201 F N 0.788 120.869 119.950 0.217 0.000 2.113 201 F HA -0.080 4.447 4.527 -0.001 0.000 0.297 201 F C 2.341 178.075 175.800 -0.110 0.000 1.103 201 F CA 1.351 59.158 58.000 -0.321 0.000 1.248 201 F CB -0.598 38.218 39.000 -0.306 0.000 0.999 201 F HN -0.097 nan 8.300 nan 0.000 0.475 202 A N -0.438 122.539 122.820 0.263 0.000 2.015 202 A HA -0.210 4.109 4.320 -0.001 0.000 0.219 202 A C 2.199 179.815 177.584 0.055 0.000 1.163 202 A CA 1.601 53.806 52.037 0.280 0.000 0.646 202 A CB -0.843 18.332 19.000 0.292 0.000 0.806 202 A HN 0.618 nan 8.150 nan 0.000 0.448 203 Q N -1.361 118.457 119.800 0.029 0.000 2.062 203 Q HA -0.202 4.138 4.340 -0.001 0.000 0.196 203 Q C 1.981 177.773 176.000 -0.347 0.000 0.967 203 Q CA 1.622 57.319 55.803 -0.177 0.000 0.832 203 Q CB -0.237 28.467 28.738 -0.056 0.000 0.899 203 Q HN 0.842 nan 8.270 nan 0.000 0.442 204 H N -0.142 118.725 119.070 -0.338 0.000 2.253 204 H HA -0.192 4.364 4.556 -0.001 0.000 0.299 204 H C 1.690 176.919 175.328 -0.166 0.000 1.064 204 H CA 2.331 58.159 56.048 -0.365 0.000 1.264 204 H CB -0.752 28.768 29.762 -0.404 0.000 1.371 204 H HN 0.333 nan 8.280 nan 0.000 0.493 205 F N 1.325 121.019 119.950 -0.426 0.000 2.045 205 F HA -0.328 4.198 4.527 -0.001 0.000 0.297 205 F C 2.727 178.003 175.800 -0.873 0.000 1.114 205 F CA 2.998 60.639 58.000 -0.598 0.000 1.207 205 F CB -1.320 37.338 39.000 -0.571 0.000 0.964 205 F HN 0.413 nan 8.300 nan 0.000 0.486 206 T N -2.734 111.078 114.554 -1.236 0.000 2.962 206 T HA -0.216 4.134 4.350 -0.001 0.000 0.270 206 T C 1.546 175.428 174.700 -1.363 0.000 1.088 206 T CA 1.623 62.611 62.100 -1.854 0.000 1.127 206 T CB -1.011 67.174 68.868 -1.138 0.000 0.883 206 T HN 0.458 nan 8.240 nan 0.000 0.493 207 H N 1.826 120.413 119.070 -0.806 0.000 2.568 207 H HA 0.098 4.654 4.556 -0.001 0.000 0.275 207 H C 2.344 177.358 175.328 -0.523 0.000 1.028 207 H CA 0.996 56.791 56.048 -0.422 0.000 1.173 207 H CB -0.264 29.525 29.762 0.044 0.000 1.335 207 H HN 0.796 nan 8.280 nan 0.000 0.614 208 Q N -0.485 118.796 119.800 -0.866 0.000 2.349 208 Q HA -0.032 4.308 4.340 -0.001 0.000 0.209 208 Q C 0.974 176.632 176.000 -0.571 0.000 0.920 208 Q CA 0.695 56.040 55.803 -0.763 0.000 0.901 208 Q CB -0.145 27.918 28.738 -1.125 0.000 1.021 208 Q HN 0.492 nan 8.270 nan 0.000 0.519 209 F N -1.088 118.434 119.950 -0.714 0.000 2.582 209 F HA 0.416 4.943 4.527 -0.001 0.000 0.290 209 F C 0.104 175.488 175.800 -0.694 0.000 1.115 209 F CA -0.878 56.674 58.000 -0.747 0.000 1.445 209 F CB 0.025 38.503 39.000 -0.869 0.000 1.126 209 F HN -0.207 nan 8.300 nan 0.000 0.574 210 F N 2.455 122.184 119.950 -0.369 0.000 2.361 210 F HA 0.519 5.046 4.527 -0.000 0.000 0.364 210 F C 0.267 175.867 175.800 -0.334 0.000 1.120 210 F CA -1.277 56.553 58.000 -0.284 0.000 1.102 210 F CB 1.137 39.839 39.000 -0.495 0.000 1.183 210 F HN -0.105 nan 8.300 nan 0.000 0.476 211 K N 1.375 121.776 120.400 0.003 0.000 3.365 211 K HA 0.121 4.441 4.320 -0.001 0.000 0.187 211 K C -0.330 176.209 176.600 -0.100 0.000 1.062 211 K CA -0.261 55.956 56.287 -0.118 0.000 0.882 211 K CB 0.872 33.262 32.500 -0.183 0.000 0.750 211 K HN 0.467 nan 8.250 nan 0.000 0.479 212 T N 2.059 116.603 114.554 -0.017 0.000 2.588 212 T HA -0.170 4.180 4.350 -0.001 0.000 0.236 212 T C 0.120 174.587 174.700 -0.388 0.000 1.027 212 T CA 0.876 62.896 62.100 -0.134 0.000 1.167 212 T CB -0.075 68.652 68.868 -0.235 0.000 1.014 212 T HN 0.215 nan 8.240 nan 0.000 0.476 213 D N 2.311 122.572 120.400 -0.231 0.000 2.483 213 D HA 0.077 4.716 4.640 -0.001 0.000 0.220 213 D C 0.993 177.211 176.300 -0.137 0.000 1.173 213 D CA -0.284 53.614 54.000 -0.171 0.000 0.964 213 D CB 0.050 40.784 40.800 -0.110 0.000 1.046 213 D HN 0.640 nan 8.370 nan 0.000 0.517 214 H N 1.245 120.334 119.070 0.031 0.000 2.560 214 H HA -0.061 4.495 4.556 -0.000 0.000 0.283 214 H C 1.318 176.656 175.328 0.017 0.000 1.028 214 H CA 0.736 56.806 56.048 0.036 0.000 1.221 214 H CB 0.593 30.371 29.762 0.027 0.000 1.363 214 H HN 0.149 nan 8.280 nan 0.000 0.594 215 K N 0.223 120.663 120.400 0.066 0.000 2.103 215 K HA -0.030 4.290 4.320 -0.001 0.000 0.204 215 K C 2.014 178.600 176.600 -0.023 0.000 1.052 215 K CA 0.962 57.255 56.287 0.011 0.000 0.945 215 K CB 0.171 32.650 32.500 -0.035 0.000 0.722 215 K HN 0.089 nan 8.250 nan 0.000 0.443 216 R N -1.048 119.413 120.500 -0.064 0.000 2.189 216 R HA 0.269 4.608 4.340 -0.001 0.000 0.203 216 R C 0.163 176.546 176.300 0.138 0.000 1.012 216 R CA 0.739 56.751 56.100 -0.147 0.000 1.015 216 R CB 0.807 30.732 30.300 -0.624 0.000 0.938 216 R HN 0.320 nan 8.270 nan 0.000 0.472 217 G N -0.235 108.698 108.800 0.223 0.000 2.392 217 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.677 217 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.677 217 G C -2.908 172.137 174.900 0.242 0.000 1.334 217 G CA -1.062 44.194 45.100 0.261 0.000 0.961 217 G HN -0.090 nan 8.290 nan 0.000 0.616 218 P HA 0.395 nan 4.420 nan 0.000 0.269 218 P C 1.103 178.428 177.300 0.041 0.000 1.209 218 P CA 1.787 64.955 63.100 0.113 0.000 0.776 218 P CB 1.060 32.804 31.700 0.074 0.000 0.876 219 G N 0.680 109.545 108.800 0.108 0.000 2.213 219 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.226 219 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.226 219 G C -0.382 174.380 174.900 -0.230 0.000 0.992 219 G CA -0.454 44.638 45.100 -0.013 0.000 0.632 219 G HN 0.416 nan 8.290 nan 0.000 0.511 220 F N 1.426 121.384 119.950 0.014 0.000 2.467 220 F HA 0.726 5.252 4.527 -0.001 0.000 0.336 220 F C 0.548 176.120 175.800 -0.380 0.000 1.123 220 F CA -0.386 57.473 58.000 -0.235 0.000 0.964 220 F CB 2.243 41.094 39.000 -0.249 0.000 1.136 220 F HN 0.026 nan 8.300 nan 0.000 0.447 221 T N 2.331 116.593 114.554 -0.487 0.000 2.945 221 T HA 0.429 4.778 4.350 -0.001 0.000 0.286 221 T C 0.885 175.394 174.700 -0.318 0.000 1.025 221 T CA -0.486 61.204 62.100 -0.683 0.000 1.039 221 T CB 1.017 69.126 68.868 -1.264 0.000 1.068 221 T HN 0.751 nan 8.240 nan 0.000 0.497 222 R N 1.406 121.749 120.500 -0.262 0.000 2.397 222 R HA 0.258 4.598 4.340 -0.001 0.000 0.241 222 R C 0.975 177.166 176.300 -0.181 0.000 0.914 222 R CA -0.153 55.837 56.100 -0.182 0.000 1.071 222 R CB 0.672 30.880 30.300 -0.153 0.000 1.116 222 R HN 0.627 nan 8.270 nan 0.000 0.524 223 G N 0.786 109.440 108.800 -0.244 0.000 3.628 223 G HA2 0.221 4.180 3.960 -0.001 0.000 0.328 223 G HA3 0.221 4.180 3.960 -0.001 0.000 0.328 223 G C 0.578 175.368 174.900 -0.183 0.000 1.200 223 G CA -0.429 44.535 45.100 -0.227 0.000 1.364 223 G HN 0.126 nan 8.290 nan 0.000 0.503 224 L N 1.407 122.599 121.223 -0.052 0.000 2.549 224 L HA 0.026 4.366 4.340 -0.001 0.000 0.230 224 L C 2.610 179.565 176.870 0.142 0.000 1.162 224 L CA 0.946 55.840 54.840 0.092 0.000 0.834 224 L CB 0.187 42.250 42.059 0.007 0.000 0.947 224 L HN 0.513 nan 8.230 nan 0.000 0.452 225 G N -2.470 106.357 108.800 0.045 0.000 2.623 225 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.214 225 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.214 225 G C 0.640 175.582 174.900 0.071 0.000 1.138 225 G CA -0.130 44.983 45.100 0.023 0.000 0.794 225 G HN 0.602 nan 8.290 nan 0.000 0.535 226 H N -0.487 118.502 119.070 -0.135 0.000 2.731 226 H HA -0.184 4.372 4.556 -0.001 0.000 0.305 226 H C 1.120 176.321 175.328 -0.212 0.000 1.132 226 H CA 0.704 56.658 56.048 -0.157 0.000 1.148 226 H CB -1.287 28.389 29.762 -0.143 0.000 1.379 226 H HN 0.726 nan 8.280 nan 0.000 0.398 227 G N -1.425 107.279 108.800 -0.160 0.000 2.348 227 G HA2 0.290 4.250 3.960 -0.001 0.000 0.296 227 G HA3 0.290 4.250 3.960 -0.001 0.000 0.296 227 G C -0.723 174.097 174.900 -0.134 0.000 1.258 227 G CA -0.269 44.678 45.100 -0.255 0.000 0.868 227 G HN 0.119 nan 8.290 nan 0.000 0.488 228 V N 2.341 122.192 119.914 -0.106 0.000 2.149 228 V HA 0.220 4.339 4.120 -0.001 0.000 0.245 228 V C 0.484 176.575 176.094 -0.005 0.000 1.349 228 V CA 0.874 63.171 62.300 -0.005 0.000 1.289 228 V CB -0.059 31.806 31.823 0.070 0.000 1.401 228 V HN 0.743 nan 8.190 nan 0.000 0.501 229 D N 2.608 122.991 120.400 -0.028 0.000 2.398 229 D HA 0.046 4.686 4.640 -0.001 0.000 0.210 229 D C 0.925 177.258 176.300 0.054 0.000 1.094 229 D CA -0.349 53.655 54.000 0.006 0.000 0.839 229 D CB 0.129 40.922 40.800 -0.012 0.000 0.963 229 D HN 0.319 nan 8.370 nan 0.000 0.506 230 L N 0.917 122.151 121.223 0.018 0.000 3.717 230 L HA -0.315 4.024 4.340 -0.001 0.000 0.411 230 L C 0.979 177.974 176.870 0.208 0.000 1.233 230 L CA 0.707 55.633 54.840 0.143 0.000 0.917 230 L CB -2.503 39.673 42.059 0.195 0.000 1.902 230 L HN 0.302 nan 8.230 nan 0.000 0.894 231 N N 0.932 119.663 118.700 0.053 0.000 2.364 231 N HA -0.199 4.541 4.740 -0.001 0.000 0.183 231 N C 1.599 177.107 175.510 -0.004 0.000 1.022 231 N CA 1.809 54.873 53.050 0.023 0.000 0.883 231 N CB -0.342 38.105 38.487 -0.068 0.000 0.965 231 N HN 0.794 nan 8.380 nan 0.000 0.438 232 H N -2.330 116.578 119.070 -0.270 0.000 2.556 232 H HA 0.269 4.825 4.556 -0.001 0.000 0.268 232 H C 1.229 176.362 175.328 -0.325 0.000 0.996 232 H CA 0.218 56.030 56.048 -0.393 0.000 1.157 232 H CB 0.060 29.536 29.762 -0.478 0.000 1.355 232 H HN 0.303 nan 8.280 nan 0.000 0.597 233 I N -0.769 119.621 120.570 -0.300 0.000 3.812 233 I HA -0.034 4.135 4.170 -0.001 0.000 0.292 233 I C 0.866 176.684 176.117 -0.498 0.000 1.206 233 I CA -0.131 60.856 61.300 -0.522 0.000 1.370 233 I CB 0.304 37.819 38.000 -0.808 0.000 1.328 233 I HN 0.126 nan 8.210 nan 0.000 0.453 234 Y N 1.515 121.787 120.300 -0.045 0.000 2.478 234 Y HA 0.469 5.019 4.550 -0.000 0.000 0.261 234 Y C 1.146 177.035 175.900 -0.019 0.000 1.127 234 Y CA 0.209 58.313 58.100 0.007 0.000 1.288 234 Y CB 0.133 38.647 38.460 0.091 0.000 1.084 234 Y HN 0.144 nan 8.280 nan 0.000 0.530 235 G N 0.317 109.145 108.800 0.047 0.000 2.587 235 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.686 235 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.686 235 G C -0.161 174.732 174.900 -0.012 0.000 1.236 235 G CA -0.590 44.505 45.100 -0.007 0.000 0.820 235 G HN 0.071 nan 8.290 nan 0.000 0.645 236 E N -0.525 119.644 120.200 -0.052 0.000 2.152 236 E HA 0.179 4.529 4.350 -0.001 0.000 0.192 236 E C 1.835 178.409 176.600 -0.044 0.000 0.983 236 E CA 1.914 58.278 56.400 -0.060 0.000 0.818 236 E CB 0.059 29.709 29.700 -0.084 0.000 0.758 236 E HN 1.083 nan 8.360 nan 0.000 0.467 237 T N -2.979 111.550 114.554 -0.043 0.000 2.901 237 T HA 0.318 4.668 4.350 -0.001 0.000 0.293 237 T C 0.870 175.527 174.700 -0.070 0.000 1.084 237 T CA -0.860 61.212 62.100 -0.047 0.000 1.008 237 T CB 1.097 69.940 68.868 -0.042 0.000 1.170 237 T HN -0.072 nan 8.240 nan 0.000 0.509 238 L N 0.600 121.767 121.223 -0.093 0.000 2.013 238 L HA -0.129 4.211 4.340 -0.001 0.000 0.212 238 L C 2.286 179.036 176.870 -0.201 0.000 1.073 238 L CA 2.785 57.504 54.840 -0.201 0.000 0.753 238 L CB -0.660 41.320 42.059 -0.132 0.000 0.890 238 L HN 0.994 nan 8.230 nan 0.000 0.432 239 D N -0.430 119.939 120.400 -0.051 0.000 2.123 239 D HA -0.277 4.362 4.640 -0.001 0.000 0.196 239 D C 2.244 178.554 176.300 0.018 0.000 0.992 239 D CA 1.617 55.631 54.000 0.023 0.000 0.833 239 D CB 0.016 40.829 40.800 0.021 0.000 0.954 239 D HN 0.192 nan 8.370 nan 0.000 0.455 240 R N -0.145 120.343 120.500 -0.021 0.000 2.061 240 R HA -0.206 4.133 4.340 -0.001 0.000 0.230 240 R C 2.596 178.885 176.300 -0.019 0.000 1.140 240 R CA 2.020 58.111 56.100 -0.014 0.000 0.940 240 R CB -0.431 29.852 30.300 -0.027 0.000 0.839 240 R HN 0.358 nan 8.270 nan 0.000 0.429 241 Q N -0.852 118.910 119.800 -0.063 0.000 2.197 241 Q HA -0.231 4.109 4.340 -0.001 0.000 0.207 241 Q C 1.506 177.446 176.000 -0.100 0.000 0.984 241 Q CA 1.922 57.682 55.803 -0.072 0.000 0.869 241 Q CB -0.377 28.306 28.738 -0.092 0.000 0.906 241 Q HN 0.500 nan 8.270 nan 0.000 0.426 242 H N 0.380 119.436 119.070 -0.023 0.000 2.495 242 H HA 0.083 4.639 4.556 -0.001 0.000 0.287 242 H C 1.426 176.790 175.328 0.059 0.000 1.033 242 H CA 1.299 57.375 56.048 0.048 0.000 1.307 242 H CB 0.211 30.085 29.762 0.186 0.000 1.401 242 H HN 0.392 nan 8.280 nan 0.000 0.555 243 K N 0.056 120.537 120.400 0.135 0.000 2.167 243 K HA 0.049 4.368 4.320 -0.001 0.000 0.203 243 K C 1.919 178.538 176.600 0.031 0.000 1.052 243 K CA 0.347 56.686 56.287 0.086 0.000 0.956 243 K CB 0.214 32.748 32.500 0.058 0.000 0.735 243 K HN 0.149 nan 8.250 nan 0.000 0.451 244 L N 0.530 121.752 121.223 -0.003 0.000 2.492 244 L HA 0.020 4.360 4.340 -0.001 0.000 0.223 244 L C 0.802 177.626 176.870 -0.076 0.000 1.132 244 L CA 0.184 55.010 54.840 -0.024 0.000 0.850 244 L CB -0.001 42.052 42.059 -0.011 0.000 0.966 244 L HN 0.067 nan 8.230 nan 0.000 0.454 245 R N -0.232 120.148 120.500 -0.199 0.000 2.543 245 R HA 0.135 4.475 4.340 -0.001 0.000 0.268 245 R C 0.728 176.821 176.300 -0.345 0.000 1.067 245 R CA -0.403 55.453 56.100 -0.406 0.000 1.142 245 R CB 1.273 30.988 30.300 -0.974 0.000 1.110 245 R HN -0.076 nan 8.270 nan 0.000 0.549 246 L N 1.054 122.109 121.223 -0.280 0.000 2.357 246 L HA 0.189 4.528 4.340 -0.001 0.000 0.211 246 L C -0.100 176.770 176.870 0.000 0.000 1.075 246 L CA 0.973 55.757 54.840 -0.093 0.000 0.830 246 L CB 0.065 42.123 42.059 -0.001 0.000 0.996 246 L HN 0.687 nan 8.230 nan 0.000 0.467 247 F N 0.158 120.121 119.950 0.023 0.000 3.058 247 F HA -0.233 4.293 4.527 -0.001 0.000 0.295 247 F C 0.341 176.162 175.800 0.035 0.000 0.875 247 F CA 0.808 58.811 58.000 0.005 0.000 1.150 247 F CB -1.832 37.144 39.000 -0.041 0.000 1.175 247 F HN 0.166 nan 8.300 nan 0.000 0.599 248 K N 0.513 121.012 120.400 0.166 0.000 2.652 248 K HA 0.313 4.633 4.320 -0.001 0.000 0.249 248 K C -0.077 176.618 176.600 0.159 0.000 0.986 248 K CA -0.600 55.777 56.287 0.150 0.000 0.867 248 K CB 1.079 33.650 32.500 0.119 0.000 1.201 248 K HN 0.179 nan 8.250 nan 0.000 0.450 249 D N 2.548 123.048 120.400 0.167 0.000 2.945 249 D HA -0.205 4.435 4.640 -0.001 0.000 0.225 249 D C 0.623 177.050 176.300 0.213 0.000 1.158 249 D CA 1.467 55.575 54.000 0.181 0.000 0.805 249 D CB -0.952 39.942 40.800 0.158 0.000 1.098 249 D HN 1.098 nan 8.370 nan 0.000 0.426 250 G N -0.055 108.888 108.800 0.239 0.000 2.168 250 G HA2 -0.386 3.574 3.960 -0.001 0.000 0.263 250 G HA3 -0.386 3.574 3.960 -0.001 0.000 0.263 250 G C 0.335 175.515 174.900 0.466 0.000 0.977 250 G CA 1.047 46.351 45.100 0.340 0.000 0.659 250 G HN 0.492 nan 8.290 nan 0.000 0.533 251 K N -0.104 120.499 120.400 0.338 0.000 2.237 251 K HA 0.536 4.856 4.320 -0.001 0.000 0.270 251 K C 0.413 177.212 176.600 0.333 0.000 1.015 251 K CA -0.873 55.655 56.287 0.402 0.000 0.949 251 K CB 0.985 33.673 32.500 0.313 0.000 0.976 251 K HN 0.007 nan 8.250 nan 0.000 0.472 252 L N 2.458 123.905 121.223 0.373 0.000 2.418 252 L HA 0.214 4.554 4.340 -0.001 0.000 0.265 252 L C 0.537 177.510 176.870 0.172 0.000 1.143 252 L CA -0.052 54.891 54.840 0.171 0.000 0.809 252 L CB 0.698 42.808 42.059 0.084 0.000 1.124 252 L HN 0.522 nan 8.230 nan 0.000 0.456 253 K N 1.702 122.135 120.400 0.055 0.000 2.319 253 K HA 0.293 4.613 4.320 -0.001 0.000 0.265 253 K C -1.089 175.570 176.600 0.097 0.000 1.000 253 K CA 0.309 56.596 56.287 -0.001 0.000 0.943 253 K CB 0.613 33.088 32.500 -0.042 0.000 0.950 253 K HN 0.531 nan 8.250 nan 0.000 0.485 254 Y N -2.094 118.205 120.300 -0.003 0.000 2.725 254 Y HA 0.295 4.844 4.550 -0.001 0.000 0.333 254 Y C -1.552 174.341 175.900 -0.012 0.000 1.242 254 Y CA -1.341 56.746 58.100 -0.022 0.000 1.059 254 Y CB 0.931 39.377 38.460 -0.023 0.000 1.306 254 Y HN 0.610 nan 8.280 nan 0.000 0.454 255 Q N 0.435 120.386 119.800 0.251 0.000 2.501 255 Q HA 0.828 5.167 4.340 -0.001 0.000 0.288 255 Q C -2.217 173.945 176.000 0.271 0.000 1.051 255 Q CA -1.336 54.559 55.803 0.152 0.000 0.788 255 Q CB 3.062 31.833 28.738 0.055 0.000 1.469 255 Q HN 0.623 nan 8.270 nan 0.000 0.416 256 V N 2.540 122.574 119.914 0.199 0.000 2.350 256 V HA 0.462 4.582 4.120 -0.001 0.000 0.285 256 V C -0.583 175.603 176.094 0.152 0.000 1.014 256 V CA -0.472 61.945 62.300 0.195 0.000 0.831 256 V CB 1.140 33.061 31.823 0.163 0.000 1.000 256 V HN 0.650 nan 8.190 nan 0.000 0.433 257 I N 4.426 125.126 120.570 0.216 0.000 2.404 257 I HA 0.738 4.907 4.170 -0.001 0.000 0.293 257 I C 1.045 177.248 176.117 0.143 0.000 0.992 257 I CA -0.061 61.300 61.300 0.102 0.000 1.149 257 I CB 1.483 39.427 38.000 -0.094 0.000 1.315 257 I HN 0.820 nan 8.210 nan 0.000 0.446 258 G N 4.546 113.390 108.800 0.075 0.000 2.552 258 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.265 258 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.265 258 G C 0.578 175.522 174.900 0.074 0.000 1.234 258 G CA 0.009 45.151 45.100 0.070 0.000 0.944 258 G HN 1.049 nan 8.290 nan 0.000 0.568 259 G N 0.095 108.932 108.800 0.060 0.000 3.702 259 G HA2 0.509 4.468 3.960 -0.001 0.000 0.288 259 G HA3 0.509 4.468 3.960 -0.001 0.000 0.288 259 G C 0.161 175.079 174.900 0.031 0.000 1.193 259 G CA 0.470 45.595 45.100 0.042 0.000 0.952 259 G HN 0.552 nan 8.290 nan 0.000 0.544 260 E N 0.253 120.499 120.200 0.076 0.000 2.202 260 E HA 0.370 4.720 4.350 -0.001 0.000 0.272 260 E C -0.517 176.073 176.600 -0.016 0.000 0.951 260 E CA -0.630 55.774 56.400 0.007 0.000 0.813 260 E CB 2.719 32.467 29.700 0.079 0.000 1.151 260 E HN -0.097 nan 8.360 nan 0.000 0.398 261 V N 3.153 122.918 119.914 -0.247 0.000 2.546 261 V HA 0.262 4.382 4.120 -0.001 0.000 0.284 261 V C -0.738 175.060 176.094 -0.493 0.000 1.050 261 V CA -0.079 62.077 62.300 -0.240 0.000 0.981 261 V CB 0.001 31.603 31.823 -0.367 0.000 0.990 261 V HN 0.534 nan 8.190 nan 0.000 0.474 262 Y N 3.413 123.645 120.300 -0.114 0.000 2.597 262 Y HA 0.450 5.000 4.550 -0.001 0.000 0.340 262 Y C -2.492 173.242 175.900 -0.277 0.000 1.097 262 Y CA -2.411 55.523 58.100 -0.277 0.000 1.037 262 Y CB 2.370 40.583 38.460 -0.411 0.000 1.305 262 Y HN 0.424 nan 8.280 nan 0.000 0.463 263 P HA 0.033 nan 4.420 nan 0.000 0.267 263 P C -2.527 174.668 177.300 -0.175 0.000 1.200 263 P CA -0.678 62.316 63.100 -0.177 0.000 0.772 263 P CB 0.131 31.724 31.700 -0.178 0.000 0.855 264 P HA 0.032 nan 4.420 nan 0.000 0.274 264 P C -0.294 177.042 177.300 0.061 0.000 1.246 264 P CA 0.017 63.117 63.100 0.001 0.000 0.795 264 P CB 0.300 32.001 31.700 0.002 0.000 1.006 265 T N -2.434 112.168 114.554 0.080 0.000 2.816 265 T HA 0.155 4.505 4.350 -0.001 0.000 0.282 265 T C 1.450 176.204 174.700 0.089 0.000 0.993 265 T CA -0.626 61.548 62.100 0.124 0.000 0.994 265 T CB 0.029 68.948 68.868 0.085 0.000 1.025 265 T HN 0.091 nan 8.240 nan 0.000 0.529 266 V N 1.144 121.111 119.914 0.089 0.000 2.548 266 V HA -0.050 4.069 4.120 -0.001 0.000 0.249 266 V C 2.799 178.916 176.094 0.037 0.000 1.055 266 V CA 1.851 64.194 62.300 0.071 0.000 1.065 266 V CB -0.856 31.015 31.823 0.078 0.000 0.681 266 V HN 0.997 nan 8.190 nan 0.000 0.462 267 K N -0.027 120.386 120.400 0.021 0.000 2.148 267 K HA -0.234 4.085 4.320 -0.001 0.000 0.204 267 K C 1.751 178.358 176.600 0.011 0.000 1.050 267 K CA 2.014 58.305 56.287 0.008 0.000 0.942 267 K CB -0.033 32.465 32.500 -0.005 0.000 0.724 267 K HN 0.591 nan 8.250 nan 0.000 0.446 268 D N -0.874 119.537 120.400 0.017 0.000 2.232 268 D HA -0.098 4.542 4.640 -0.001 0.000 0.220 268 D C 1.797 178.106 176.300 0.016 0.000 0.982 268 D CA 1.957 55.964 54.000 0.012 0.000 0.892 268 D CB 0.088 40.891 40.800 0.006 0.000 1.040 268 D HN 0.261 nan 8.370 nan 0.000 0.463 269 T N -2.676 111.892 114.554 0.023 0.000 2.915 269 T HA -0.132 4.218 4.350 -0.001 0.000 0.269 269 T C 1.298 176.016 174.700 0.030 0.000 1.071 269 T CA 1.412 63.528 62.100 0.026 0.000 1.132 269 T CB -0.233 68.653 68.868 0.029 0.000 0.878 269 T HN 0.295 nan 8.240 nan 0.000 0.479 270 Q N -0.282 119.535 119.800 0.030 0.000 2.429 270 Q HA -0.157 4.182 4.340 -0.001 0.000 0.232 270 Q C 0.074 176.091 176.000 0.029 0.000 0.724 270 Q CA 0.629 56.448 55.803 0.027 0.000 1.287 270 Q CB -2.393 26.359 28.738 0.023 0.000 1.429 270 Q HN 0.944 nan 8.270 nan 0.000 0.721 271 V N -0.514 119.421 119.914 0.035 0.000 2.811 271 V HA 0.442 4.562 4.120 -0.001 0.000 0.302 271 V C 0.372 176.487 176.094 0.036 0.000 1.063 271 V CA -0.160 62.158 62.300 0.030 0.000 1.088 271 V CB 1.789 33.628 31.823 0.026 0.000 0.982 271 V HN 0.249 nan 8.190 nan 0.000 0.485 272 E N 5.637 125.848 120.200 0.020 0.000 2.180 272 E HA 0.295 4.644 4.350 -0.001 0.000 0.283 272 E C -0.930 175.679 176.600 0.015 0.000 1.061 272 E CA -0.367 56.044 56.400 0.019 0.000 0.861 272 E CB 0.993 30.694 29.700 0.002 0.000 1.056 272 E HN 0.754 nan 8.360 nan 0.000 0.407 273 M N 4.085 123.713 119.600 0.047 0.000 2.662 273 M HA 0.454 4.933 4.480 -0.001 0.000 0.310 273 M C -0.008 176.285 176.300 -0.011 0.000 1.204 273 M CA -1.032 54.279 55.300 0.018 0.000 0.891 273 M CB 1.597 34.279 32.600 0.137 0.000 1.732 273 M HN 0.406 nan 8.290 nan 0.000 0.467 274 I N 2.071 122.556 120.570 -0.142 0.000 2.297 274 I HA 0.283 4.453 4.170 -0.001 0.000 0.291 274 I C -1.435 174.521 176.117 -0.268 0.000 1.033 274 I CA -0.277 60.942 61.300 -0.135 0.000 1.253 274 I CB 0.245 38.177 38.000 -0.113 0.000 1.396 274 I HN 0.464 nan 8.210 nan 0.000 0.476 275 Y N 5.983 126.218 120.300 -0.108 0.000 2.470 275 Y HA 0.387 4.937 4.550 -0.001 0.000 0.341 275 Y C -2.333 173.405 175.900 -0.270 0.000 1.021 275 Y CA -2.417 55.572 58.100 -0.186 0.000 1.025 275 Y CB 1.890 40.251 38.460 -0.164 0.000 1.266 275 Y HN 0.417 nan 8.280 nan 0.000 0.448 276 P HA 0.084 nan 4.420 nan 0.000 0.267 276 P C -1.880 175.235 177.300 -0.310 0.000 1.205 276 P CA -0.971 61.905 63.100 -0.374 0.000 0.765 276 P CB 0.579 31.829 31.700 -0.750 0.000 0.828 277 P HA -0.283 nan 4.420 nan 0.000 0.218 277 P C 1.249 178.520 177.300 -0.049 0.000 1.152 277 P CA 1.807 64.870 63.100 -0.062 0.000 0.857 277 P CB -0.462 31.238 31.700 0.001 0.000 0.787 278 H N -0.876 118.168 119.070 -0.043 0.000 2.521 278 H HA 0.058 4.613 4.556 -0.000 0.000 0.286 278 H C 0.985 176.287 175.328 -0.044 0.000 1.034 278 H CA -0.040 55.991 56.048 -0.028 0.000 1.278 278 H CB -1.068 28.693 29.762 -0.001 0.000 1.386 278 H HN 0.151 nan 8.280 nan 0.000 0.567 279 I N 5.229 125.576 120.570 -0.372 0.000 2.664 279 I HA -0.035 4.134 4.170 -0.001 0.000 0.284 279 I C -1.072 174.921 176.117 -0.207 0.000 1.154 279 I CA -1.129 59.986 61.300 -0.308 0.000 1.402 279 I CB 0.812 38.556 38.000 -0.427 0.000 1.395 279 I HN 0.092 nan 8.210 nan 0.000 0.545 280 P HA -0.115 nan 4.420 nan 0.000 0.278 280 P C 0.375 177.594 177.300 -0.136 0.000 1.366 280 P CA 0.596 63.630 63.100 -0.110 0.000 0.750 280 P CB 0.130 31.779 31.700 -0.085 0.000 1.271 281 E N 0.938 121.021 120.200 -0.194 0.000 4.014 281 E HA -0.323 4.026 4.350 -0.001 0.000 0.209 281 E C 0.936 177.428 176.600 -0.180 0.000 1.457 281 E CA 1.331 57.625 56.400 -0.177 0.000 2.314 281 E CB -1.483 28.158 29.700 -0.099 0.000 2.109 281 E HN 0.382 nan 8.360 nan 0.000 0.486 282 N N -0.504 118.134 118.700 -0.104 0.000 2.656 282 N HA -0.302 4.437 4.740 -0.001 0.000 0.244 282 N C 0.522 175.983 175.510 -0.082 0.000 1.151 282 N CA 2.386 55.402 53.050 -0.057 0.000 0.865 282 N CB -0.990 37.465 38.487 -0.053 0.000 1.177 282 N HN 0.384 nan 8.380 nan 0.000 0.586 283 L N -1.070 119.982 121.223 -0.285 0.000 3.500 283 L HA 0.198 4.537 4.340 -0.001 0.000 0.320 283 L C 0.140 176.429 176.870 -0.968 0.000 1.205 283 L CA -0.215 54.229 54.840 -0.659 0.000 1.117 283 L CB 0.408 42.158 42.059 -0.515 0.000 1.542 283 L HN 0.066 nan 8.230 nan 0.000 0.622 284 Q N 1.536 120.920 119.800 -0.694 0.000 2.534 284 Q HA 0.234 4.573 4.340 -0.001 0.000 0.223 284 Q C -0.905 175.045 176.000 -0.084 0.000 1.239 284 Q CA -0.236 54.991 55.803 -0.960 0.000 0.936 284 Q CB 0.329 28.686 28.738 -0.634 0.000 1.457 284 Q HN 0.021 nan 8.270 nan 0.000 0.547 285 F N 0.300 120.290 119.950 0.067 0.000 2.418 285 F HA 0.157 4.684 4.527 -0.000 0.000 0.341 285 F C 1.163 177.093 175.800 0.217 0.000 1.120 285 F CA -0.741 57.354 58.000 0.158 0.000 1.232 285 F CB 0.493 39.597 39.000 0.173 0.000 1.175 285 F HN 0.474 nan 8.300 nan 0.000 0.569 286 A N 2.402 125.404 122.820 0.303 0.000 1.835 286 A HA 0.195 4.514 4.320 -0.001 0.000 0.213 286 A C 1.991 179.645 177.584 0.116 0.000 1.210 286 A CA 2.463 54.603 52.037 0.172 0.000 0.605 286 A CB -0.979 18.081 19.000 0.101 0.000 0.860 286 A HN 1.408 nan 8.150 nan 0.000 0.447 287 V N -3.706 116.260 119.914 0.086 0.000 0.579 287 V HA -0.377 3.742 4.120 -0.001 0.000 0.092 287 V C 1.980 178.048 176.094 -0.043 0.000 1.890 287 V CA 2.741 65.066 62.300 0.042 0.000 3.424 287 V CB -1.708 30.189 31.823 0.123 0.000 0.714 287 V HN 2.334 nan 8.190 nan 0.000 0.740 288 G N -1.212 107.542 108.800 -0.077 0.000 3.675 288 G HA2 0.030 3.990 3.960 -0.001 0.000 0.206 288 G HA3 0.030 3.990 3.960 -0.001 0.000 0.206 288 G C -0.028 174.738 174.900 -0.222 0.000 1.086 288 G CA 0.374 45.392 45.100 -0.136 0.000 0.894 288 G HN 1.104 nan 8.290 nan 0.000 0.412 289 Q N 1.438 120.997 119.800 -0.402 0.000 2.303 289 Q HA 0.398 4.737 4.340 -0.001 0.000 0.257 289 Q C 1.032 176.792 176.000 -0.401 0.000 0.941 289 Q CA 0.021 55.463 55.803 -0.601 0.000 0.931 289 Q CB 1.663 29.509 28.738 -1.488 0.000 1.215 289 Q HN 0.739 nan 8.270 nan 0.000 0.437 290 E N 1.804 121.852 120.200 -0.253 0.000 2.515 290 E HA -0.070 4.280 4.350 -0.001 0.000 0.201 290 E C 0.891 177.401 176.600 -0.150 0.000 1.071 290 E CA 0.349 56.654 56.400 -0.159 0.000 0.880 290 E CB 0.152 29.788 29.700 -0.107 0.000 0.828 290 E HN 0.218 nan 8.360 nan 0.000 0.540 291 V N -0.167 119.665 119.914 -0.136 0.000 3.477 291 V HA 0.087 4.206 4.120 -0.001 0.000 0.297 291 V C 0.075 176.283 176.094 0.191 0.000 1.433 291 V CA -0.200 62.100 62.300 0.001 0.000 1.052 291 V CB -0.167 31.717 31.823 0.101 0.000 0.895 291 V HN 0.236 nan 8.190 nan 0.000 0.438 292 F N 1.079 120.985 119.950 -0.073 0.000 2.772 292 F HA 0.272 4.798 4.527 -0.001 0.000 0.302 292 F C 1.911 177.659 175.800 -0.087 0.000 1.225 292 F CA 0.478 58.455 58.000 -0.038 0.000 1.429 292 F CB -1.016 38.003 39.000 0.031 0.000 1.104 292 F HN 0.279 nan 8.300 nan 0.000 0.550 293 G N -1.057 107.690 108.800 -0.089 0.000 3.159 293 G HA2 0.131 4.090 3.960 -0.001 0.000 0.232 293 G HA3 0.131 4.090 3.960 -0.001 0.000 0.232 293 G C 1.380 176.178 174.900 -0.169 0.000 1.116 293 G CA -0.060 44.867 45.100 -0.288 0.000 0.767 293 G HN 0.328 nan 8.290 nan 0.000 0.547 294 L N 0.471 121.645 121.223 -0.081 0.000 2.591 294 L HA 0.298 4.638 4.340 -0.001 0.000 0.228 294 L C -0.210 176.657 176.870 -0.004 0.000 1.133 294 L CA 0.215 55.106 54.840 0.085 0.000 0.880 294 L CB 0.622 42.758 42.059 0.127 0.000 1.033 294 L HN -0.083 nan 8.230 nan 0.000 0.450 295 V N -0.724 119.112 119.914 -0.129 0.000 2.671 295 V HA 0.170 4.290 4.120 -0.001 0.000 0.292 295 V C -1.928 173.901 176.094 -0.443 0.000 1.115 295 V CA -0.690 61.423 62.300 -0.312 0.000 0.918 295 V CB 2.249 33.977 31.823 -0.158 0.000 1.036 295 V HN -0.155 nan 8.190 nan 0.000 0.445 296 P HA -0.105 nan 4.420 nan 0.000 0.220 296 P C 1.572 178.649 177.300 -0.372 0.000 1.144 296 P CA 1.572 64.361 63.100 -0.519 0.000 0.800 296 P CB 0.339 31.625 31.700 -0.691 0.000 0.772 297 G N -0.734 107.655 108.800 -0.686 0.000 2.408 297 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.217 297 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.217 297 G C 1.296 175.844 174.900 -0.587 0.000 1.150 297 G CA 0.450 44.855 45.100 -1.158 0.000 0.776 297 G HN 0.141 nan 8.290 nan 0.000 0.542 298 L N -0.183 120.753 121.223 -0.478 0.000 2.023 298 L HA 0.215 4.555 4.340 -0.001 0.000 0.205 298 L C 2.697 179.435 176.870 -0.221 0.000 1.073 298 L CA 1.363 55.981 54.840 -0.369 0.000 0.745 298 L CB -1.029 40.686 42.059 -0.572 0.000 0.900 298 L HN 0.217 nan 8.230 nan 0.000 0.435 299 M N -1.296 118.220 119.600 -0.139 0.000 2.346 299 M HA -0.218 4.262 4.480 -0.001 0.000 0.263 299 M C 2.096 178.350 176.300 -0.077 0.000 1.064 299 M CA 1.404 56.707 55.300 0.005 0.000 1.083 299 M CB -0.408 32.250 32.600 0.096 0.000 1.399 299 M HN 0.239 nan 8.290 nan 0.000 0.435 300 M N -1.622 117.855 119.600 -0.205 0.000 2.077 300 M HA -0.236 4.244 4.480 -0.001 0.000 0.261 300 M C 1.562 177.700 176.300 -0.270 0.000 1.070 300 M CA 1.866 56.979 55.300 -0.311 0.000 1.125 300 M CB -0.339 32.063 32.600 -0.329 0.000 1.339 300 M HN 0.250 nan 8.290 nan 0.000 0.409 301 Y N 0.235 120.372 120.300 -0.273 0.000 2.373 301 Y HA -0.009 4.541 4.550 -0.001 0.000 0.293 301 Y C 2.556 178.266 175.900 -0.316 0.000 1.129 301 Y CA 1.217 59.082 58.100 -0.392 0.000 1.226 301 Y CB -0.888 37.122 38.460 -0.750 0.000 1.000 301 Y HN 0.376 nan 8.280 nan 0.000 0.549 302 A N -0.871 121.922 122.820 -0.044 0.000 1.933 302 A HA -0.161 4.159 4.320 -0.001 0.000 0.218 302 A C 2.259 179.895 177.584 0.086 0.000 1.175 302 A CA 2.214 54.359 52.037 0.180 0.000 0.628 302 A CB -0.970 18.187 19.000 0.262 0.000 0.814 302 A HN 0.382 nan 8.150 nan 0.000 0.444 303 T N -0.015 114.526 114.554 -0.022 0.000 2.896 303 T HA 0.049 4.399 4.350 -0.001 0.000 0.263 303 T C 1.777 176.400 174.700 -0.129 0.000 1.050 303 T CA 1.163 63.197 62.100 -0.110 0.000 1.140 303 T CB -0.301 68.438 68.868 -0.215 0.000 0.877 303 T HN 0.404 nan 8.240 nan 0.000 0.457 304 I N -0.556 119.929 120.570 -0.143 0.000 2.286 304 I HA -0.153 4.017 4.170 -0.001 0.000 0.248 304 I C 2.118 178.142 176.117 -0.155 0.000 1.115 304 I CA 1.400 62.580 61.300 -0.201 0.000 1.392 304 I CB -0.241 37.596 38.000 -0.271 0.000 1.065 304 I HN 0.328 nan 8.210 nan 0.000 0.418 305 W N 0.520 121.806 121.300 -0.024 0.000 2.418 305 W HA -0.080 4.580 4.660 -0.001 0.000 0.292 305 W C 2.444 178.948 176.519 -0.026 0.000 1.213 305 W CA 0.440 57.783 57.345 -0.005 0.000 1.283 305 W CB -0.268 29.184 29.460 -0.014 0.000 1.119 305 W HN 0.076 nan 8.180 nan 0.000 0.542 306 L N 0.867 122.179 121.223 0.148 0.000 2.042 306 L HA -0.233 4.107 4.340 -0.001 0.000 0.210 306 L C 2.497 179.405 176.870 0.063 0.000 1.076 306 L CA 1.796 56.676 54.840 0.066 0.000 0.749 306 L CB -0.337 41.722 42.059 0.001 0.000 0.893 306 L HN -0.058 nan 8.230 nan 0.000 0.432 307 R N -0.406 120.079 120.500 -0.025 0.000 2.081 307 R HA -0.229 4.110 4.340 -0.001 0.000 0.235 307 R C 2.244 178.538 176.300 -0.010 0.000 1.131 307 R CA 1.646 57.696 56.100 -0.084 0.000 0.960 307 R CB -0.337 29.868 30.300 -0.159 0.000 0.856 307 R HN 0.383 nan 8.270 nan 0.000 0.436 308 E N 0.119 120.338 120.200 0.031 0.000 2.051 308 E HA -0.237 4.113 4.350 -0.001 0.000 0.192 308 E C 1.673 178.386 176.600 0.188 0.000 0.991 308 E CA 1.824 58.271 56.400 0.080 0.000 0.799 308 E CB -0.248 29.494 29.700 0.070 0.000 0.748 308 E HN 0.397 nan 8.360 nan 0.000 0.449 309 H N -0.124 119.051 119.070 0.175 0.000 2.257 309 H HA -0.188 4.368 4.556 -0.001 0.000 0.292 309 H C 2.096 177.515 175.328 0.152 0.000 1.075 309 H CA 2.754 58.921 56.048 0.199 0.000 1.212 309 H CB -0.416 29.477 29.762 0.218 0.000 1.354 309 H HN 0.112 nan 8.280 nan 0.000 0.497 310 Q N 0.283 120.223 119.800 0.234 0.000 2.082 310 Q HA -0.244 4.096 4.340 -0.001 0.000 0.211 310 Q C 2.532 178.553 176.000 0.034 0.000 1.002 310 Q CA 2.205 58.078 55.803 0.118 0.000 0.868 310 Q CB -0.391 28.383 28.738 0.060 0.000 0.931 310 Q HN 0.401 nan 8.270 nan 0.000 0.414 311 R N -0.490 120.021 120.500 0.019 0.000 2.119 311 R HA -0.189 4.151 4.340 -0.001 0.000 0.246 311 R C 2.023 178.333 176.300 0.017 0.000 1.146 311 R CA 1.795 57.898 56.100 0.004 0.000 0.962 311 R CB -0.396 29.900 30.300 -0.007 0.000 0.863 311 R HN 0.241 nan 8.270 nan 0.000 0.442 312 V N 0.009 119.936 119.914 0.022 0.000 2.358 312 V HA -0.307 3.812 4.120 -0.001 0.000 0.246 312 V C 2.586 178.697 176.094 0.028 0.000 1.047 312 V CA 1.706 64.024 62.300 0.031 0.000 1.035 312 V CB -0.407 31.440 31.823 0.041 0.000 0.658 312 V HN 0.525 nan 8.190 nan 0.000 0.452 313 C N 0.234 119.524 119.300 -0.016 0.000 2.367 313 C HA -0.232 4.228 4.460 -0.001 0.000 0.276 313 C C 2.543 177.582 174.990 0.082 0.000 1.195 313 C CA 1.331 60.374 59.018 0.042 0.000 1.756 313 C CB -1.144 26.626 27.740 0.051 0.000 2.046 313 C HN 0.614 nan 8.230 nan 0.000 0.453 314 D N 0.444 120.880 120.400 0.060 0.000 2.149 314 D HA -0.099 4.541 4.640 -0.001 0.000 0.198 314 D C 1.890 178.213 176.300 0.038 0.000 0.990 314 D CA 1.222 55.253 54.000 0.052 0.000 0.839 314 D CB -0.397 40.423 40.800 0.033 0.000 0.948 314 D HN 0.523 nan 8.370 nan 0.000 0.460 315 I N 0.224 120.814 120.570 0.035 0.000 2.202 315 I HA -0.232 3.938 4.170 -0.001 0.000 0.242 315 I C 2.153 178.281 176.117 0.019 0.000 1.091 315 I CA 0.459 61.772 61.300 0.022 0.000 1.368 315 I CB -0.033 37.985 38.000 0.030 0.000 1.058 315 I HN -0.008 nan 8.210 nan 0.000 0.410 316 L N 0.907 122.171 121.223 0.070 0.000 2.201 316 L HA -0.160 4.180 4.340 -0.001 0.000 0.212 316 L C 2.375 179.278 176.870 0.055 0.000 1.105 316 L CA 1.673 56.572 54.840 0.099 0.000 0.775 316 L CB -0.971 41.248 42.059 0.266 0.000 0.913 316 L HN 0.203 nan 8.230 nan 0.000 0.440 317 K N -0.921 119.529 120.400 0.083 0.000 2.155 317 K HA -0.217 4.103 4.320 -0.001 0.000 0.203 317 K C 2.065 178.657 176.600 -0.013 0.000 1.052 317 K CA 0.912 57.244 56.287 0.075 0.000 0.948 317 K CB 0.089 32.650 32.500 0.102 0.000 0.728 317 K HN 0.117 nan 8.250 nan 0.000 0.448 318 Q N 1.105 120.885 119.800 -0.034 0.000 2.291 318 Q HA -0.124 4.216 4.340 -0.001 0.000 0.206 318 Q C 1.191 177.102 176.000 -0.149 0.000 0.976 318 Q CA 1.576 57.340 55.803 -0.066 0.000 0.875 318 Q CB 0.183 28.892 28.738 -0.047 0.000 0.927 318 Q HN 0.338 nan 8.270 nan 0.000 0.450 319 E N -1.096 118.954 120.200 -0.250 0.000 2.364 319 E HA 0.041 4.390 4.350 -0.001 0.000 0.196 319 E C -0.110 175.990 176.600 -0.834 0.000 0.990 319 E CA 0.326 56.420 56.400 -0.510 0.000 0.886 319 E CB 0.403 29.740 29.700 -0.604 0.000 0.866 319 E HN 0.474 nan 8.360 nan 0.000 0.493 320 H N -0.350 118.491 119.070 -0.382 0.000 2.569 320 H HA 0.189 4.744 4.556 -0.001 0.000 0.247 320 H C -2.022 173.193 175.328 -0.187 0.000 1.346 320 H CA -1.503 54.244 56.048 -0.502 0.000 1.502 320 H CB 1.427 30.371 29.762 -1.363 0.000 1.512 320 H HN -0.057 nan 8.280 nan 0.000 0.502 321 P HA -0.154 nan 4.420 nan 0.000 0.222 321 P C 0.764 178.119 177.300 0.091 0.000 1.147 321 P CA 1.036 64.155 63.100 0.031 0.000 0.790 321 P CB 0.405 32.106 31.700 0.001 0.000 0.780 322 E N -2.959 117.307 120.200 0.111 0.000 2.442 322 E HA -0.037 4.312 4.350 -0.001 0.000 0.195 322 E C 0.314 177.102 176.600 0.314 0.000 1.030 322 E CA 0.040 56.544 56.400 0.173 0.000 0.869 322 E CB -0.665 29.129 29.700 0.157 0.000 0.857 322 E HN 0.192 nan 8.360 nan 0.000 0.505 323 W N 1.521 122.879 121.300 0.096 0.000 2.129 323 W HA 0.601 5.260 4.660 -0.001 0.000 0.349 323 W C 1.049 177.607 176.519 0.066 0.000 1.279 323 W CA -0.535 56.845 57.345 0.060 0.000 1.306 323 W CB 0.533 30.026 29.460 0.054 0.000 1.140 323 W HN 0.035 nan 8.180 nan 0.000 0.613 324 G N 0.373 109.320 108.800 0.245 0.000 2.932 324 G HA2 0.228 4.188 3.960 -0.001 0.000 0.283 324 G HA3 0.228 4.188 3.960 -0.001 0.000 0.283 324 G C 0.023 175.018 174.900 0.158 0.000 1.336 324 G CA -0.329 44.869 45.100 0.163 0.000 1.056 324 G HN 0.398 nan 8.290 nan 0.000 0.522 325 D N -0.504 119.990 120.400 0.157 0.000 2.286 325 D HA -0.196 4.444 4.640 -0.001 0.000 0.197 325 D C 2.031 178.445 176.300 0.190 0.000 1.015 325 D CA 1.836 55.950 54.000 0.191 0.000 0.871 325 D CB 0.140 41.074 40.800 0.223 0.000 1.044 325 D HN 0.392 nan 8.370 nan 0.000 0.459 326 E N -0.394 119.902 120.200 0.160 0.000 2.233 326 E HA -0.263 4.087 4.350 -0.001 0.000 0.199 326 E C 1.992 178.642 176.600 0.083 0.000 1.004 326 E CA 0.971 57.465 56.400 0.157 0.000 0.819 326 E CB -0.138 29.633 29.700 0.117 0.000 0.738 326 E HN 0.532 nan 8.360 nan 0.000 0.478 327 Q N -0.083 119.681 119.800 -0.061 0.000 2.250 327 Q HA -0.018 4.322 4.340 -0.001 0.000 0.200 327 Q C 2.372 178.226 176.000 -0.243 0.000 0.941 327 Q CA 0.167 55.773 55.803 -0.329 0.000 0.872 327 Q CB 0.189 28.477 28.738 -0.751 0.000 0.965 327 Q HN 0.232 nan 8.270 nan 0.000 0.480 328 L N -0.002 121.251 121.223 0.051 0.000 2.017 328 L HA -0.165 4.175 4.340 -0.001 0.000 0.208 328 L C 2.254 179.231 176.870 0.178 0.000 1.073 328 L CA 1.243 56.228 54.840 0.242 0.000 0.745 328 L CB -0.507 41.732 42.059 0.300 0.000 0.894 328 L HN 0.297 nan 8.230 nan 0.000 0.432 329 F N 0.717 120.711 119.950 0.075 0.000 2.026 329 F HA -0.295 4.232 4.527 -0.001 0.000 0.296 329 F C 2.795 178.623 175.800 0.047 0.000 1.133 329 F CA 1.713 59.778 58.000 0.108 0.000 1.188 329 F CB -0.356 38.709 39.000 0.108 0.000 0.968 329 F HN 0.037 nan 8.300 nan 0.000 0.476 330 Q N -0.029 119.813 119.800 0.071 0.000 2.197 330 Q HA -0.179 4.161 4.340 -0.001 0.000 0.207 330 Q C 2.166 178.100 176.000 -0.110 0.000 0.984 330 Q CA 2.236 57.994 55.803 -0.076 0.000 0.869 330 Q CB -1.173 27.575 28.738 0.017 0.000 0.906 330 Q HN 0.490 nan 8.270 nan 0.000 0.426 331 T N 0.226 114.740 114.554 -0.067 0.000 2.851 331 T HA -0.032 4.317 4.350 -0.001 0.000 0.262 331 T C 2.152 176.914 174.700 0.103 0.000 1.043 331 T CA 1.145 63.273 62.100 0.047 0.000 1.140 331 T CB -0.114 68.829 68.868 0.125 0.000 0.872 331 T HN 0.193 nan 8.240 nan 0.000 0.446 332 S N 1.323 117.027 115.700 0.007 0.000 2.353 332 S HA -0.145 4.325 4.470 -0.001 0.000 0.222 332 S C 2.002 176.612 174.600 0.015 0.000 1.035 332 S CA 1.389 59.565 58.200 -0.040 0.000 1.025 332 S CB -0.320 62.667 63.200 -0.356 0.000 0.902 332 S HN 0.528 nan 8.310 nan 0.000 0.440 333 K N 0.853 121.132 120.400 -0.202 0.000 2.281 333 K HA -0.032 4.288 4.320 -0.001 0.000 0.203 333 K C 1.753 178.364 176.600 0.017 0.000 1.046 333 K CA 0.902 57.035 56.287 -0.257 0.000 0.938 333 K CB -0.160 31.756 32.500 -0.973 0.000 0.737 333 K HN 0.322 nan 8.250 nan 0.000 0.458 334 L N 0.206 121.502 121.223 0.120 0.000 2.209 334 L HA -0.028 4.312 4.340 -0.001 0.000 0.207 334 L C 2.141 179.258 176.870 0.411 0.000 1.094 334 L CA 0.453 55.494 54.840 0.334 0.000 0.790 334 L CB -0.119 42.202 42.059 0.435 0.000 0.932 334 L HN 0.174 nan 8.230 nan 0.000 0.447 335 I N -0.558 120.203 120.570 0.317 0.000 2.233 335 I HA -0.274 3.896 4.170 -0.001 0.000 0.243 335 I C 2.219 178.459 176.117 0.205 0.000 1.093 335 I CA 0.950 62.363 61.300 0.188 0.000 1.380 335 I CB -0.118 37.994 38.000 0.187 0.000 1.067 335 I HN 0.144 nan 8.210 nan 0.000 0.413 336 L N 0.340 121.718 121.223 0.257 0.000 2.127 336 L HA -0.195 4.145 4.340 -0.001 0.000 0.211 336 L C 2.318 179.300 176.870 0.187 0.000 1.089 336 L CA 1.792 56.814 54.840 0.303 0.000 0.757 336 L CB -0.708 41.557 42.059 0.343 0.000 0.899 336 L HN 0.203 nan 8.230 nan 0.000 0.434 337 I N -1.023 119.655 120.570 0.179 0.000 2.286 337 I HA -0.214 3.956 4.170 -0.001 0.000 0.248 337 I C 2.443 178.654 176.117 0.157 0.000 1.115 337 I CA 1.304 62.690 61.300 0.144 0.000 1.392 337 I CB -0.836 37.270 38.000 0.178 0.000 1.065 337 I HN 0.350 nan 8.210 nan 0.000 0.418 338 G N 0.372 109.300 108.800 0.214 0.000 2.402 338 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.216 338 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.216 338 G C 1.497 176.511 174.900 0.190 0.000 1.162 338 G CA 0.388 45.643 45.100 0.258 0.000 0.777 338 G HN 0.383 nan 8.290 nan 0.000 0.539 339 E N -0.011 120.317 120.200 0.214 0.000 2.017 339 E HA -0.113 4.237 4.350 -0.001 0.000 0.193 339 E C 2.792 179.541 176.600 0.248 0.000 0.997 339 E CA 1.523 58.079 56.400 0.259 0.000 0.804 339 E CB -0.362 29.569 29.700 0.385 0.000 0.757 339 E HN 0.277 nan 8.360 nan 0.000 0.448 340 T N 1.725 116.432 114.554 0.256 0.000 2.597 340 T HA -0.223 4.126 4.350 -0.001 0.000 0.267 340 T C 1.971 176.657 174.700 -0.023 0.000 1.053 340 T CA 1.523 63.714 62.100 0.152 0.000 1.165 340 T CB -0.370 68.483 68.868 -0.026 0.000 0.863 340 T HN 0.136 nan 8.240 nan 0.000 0.427 341 I N 0.746 121.228 120.570 -0.147 0.000 2.286 341 I HA -0.195 3.975 4.170 -0.001 0.000 0.248 341 I C 2.557 178.296 176.117 -0.630 0.000 1.115 341 I CA 1.255 62.295 61.300 -0.433 0.000 1.392 341 I CB -0.401 37.203 38.000 -0.660 0.000 1.065 341 I HN 0.185 nan 8.210 nan 0.000 0.418 342 K N 2.110 122.224 120.400 -0.477 0.000 1.991 342 K HA -0.155 4.165 4.320 -0.001 0.000 0.212 342 K C 1.893 178.462 176.600 -0.051 0.000 1.049 342 K CA 1.854 58.034 56.287 -0.179 0.000 0.932 342 K CB -0.573 32.010 32.500 0.139 0.000 0.717 342 K HN 0.211 nan 8.250 nan 0.000 0.441 343 I N 0.412 120.998 120.570 0.026 0.000 2.194 343 I HA -0.273 3.897 4.170 -0.001 0.000 0.246 343 I C 2.061 178.175 176.117 -0.005 0.000 1.093 343 I CA 1.207 62.548 61.300 0.068 0.000 1.355 343 I CB -0.243 37.878 38.000 0.203 0.000 1.046 343 I HN -0.001 nan 8.210 nan 0.000 0.413 344 V N 0.857 120.690 119.914 -0.136 0.000 2.759 344 V HA -0.206 3.913 4.120 -0.001 0.000 0.256 344 V C 2.087 178.142 176.094 -0.065 0.000 1.080 344 V CA 1.469 63.595 62.300 -0.290 0.000 1.101 344 V CB -0.293 31.143 31.823 -0.645 0.000 0.698 344 V HN 0.354 nan 8.190 nan 0.000 0.477 345 I N -0.393 120.144 120.570 -0.055 0.000 2.512 345 I HA -0.057 4.112 4.170 -0.001 0.000 0.247 345 I C 2.276 178.430 176.117 0.062 0.000 1.094 345 I CA 1.063 62.375 61.300 0.021 0.000 1.427 345 I CB -0.224 37.775 38.000 -0.001 0.000 1.149 345 I HN 0.270 nan 8.210 nan 0.000 0.438 346 E N 0.557 120.789 120.200 0.054 0.000 2.371 346 E HA -0.099 4.251 4.350 -0.001 0.000 0.194 346 E C 0.922 177.565 176.600 0.072 0.000 1.012 346 E CA 0.597 57.026 56.400 0.048 0.000 0.860 346 E CB 0.288 30.012 29.700 0.040 0.000 0.811 346 E HN 0.452 nan 8.360 nan 0.000 0.502 347 D N -0.514 119.964 120.400 0.130 0.000 3.105 347 D HA -0.047 4.593 4.640 -0.001 0.000 0.291 347 D C 1.514 178.062 176.300 0.413 0.000 1.218 347 D CA 0.227 54.352 54.000 0.209 0.000 1.029 347 D CB -0.596 40.294 40.800 0.149 0.000 1.207 347 D HN 0.011 nan 8.370 nan 0.000 0.437 348 Y N 2.515 122.945 120.300 0.215 0.000 2.009 348 Y HA -0.279 4.271 4.550 -0.000 0.000 0.260 348 Y C 2.347 178.348 175.900 0.169 0.000 1.118 348 Y CA 1.766 59.846 58.100 -0.032 0.000 1.087 348 Y CB -0.619 37.598 38.460 -0.404 0.000 0.970 348 Y HN -0.245 nan 8.280 nan 0.000 0.481 349 V N 0.691 120.868 119.914 0.438 0.000 2.324 349 V HA -0.377 3.742 4.120 -0.001 0.000 0.250 349 V C 2.349 178.508 176.094 0.108 0.000 1.060 349 V CA 2.247 64.721 62.300 0.291 0.000 1.042 349 V CB -0.949 31.033 31.823 0.266 0.000 0.650 349 V HN 0.560 nan 8.190 nan 0.000 0.450 350 Q N -0.037 119.822 119.800 0.098 0.000 2.029 350 Q HA -0.301 4.039 4.340 -0.001 0.000 0.209 350 Q C 2.331 178.317 176.000 -0.024 0.000 0.999 350 Q CA 2.628 58.434 55.803 0.005 0.000 0.857 350 Q CB -0.629 28.134 28.738 0.041 0.000 0.926 350 Q HN 0.817 nan 8.270 nan 0.000 0.415 351 H N -0.515 118.549 119.070 -0.010 0.000 2.319 351 H HA -0.152 4.404 4.556 -0.001 0.000 0.299 351 H C 1.871 177.123 175.328 -0.126 0.000 1.092 351 H CA 1.791 57.816 56.048 -0.039 0.000 1.302 351 H CB -0.280 29.524 29.762 0.071 0.000 1.373 351 H HN 0.393 nan 8.280 nan 0.000 0.497 352 L N 1.555 122.751 121.223 -0.045 0.000 2.127 352 L HA -0.168 4.172 4.340 -0.001 0.000 0.211 352 L C 3.011 179.735 176.870 -0.244 0.000 1.089 352 L CA 1.994 56.746 54.840 -0.146 0.000 0.757 352 L CB -0.977 41.174 42.059 0.153 0.000 0.899 352 L HN 0.515 nan 8.230 nan 0.000 0.434 353 S N -1.251 114.252 115.700 -0.328 0.000 2.388 353 S HA 0.099 4.568 4.470 -0.001 0.000 0.223 353 S C 1.699 176.010 174.600 -0.481 0.000 1.034 353 S CA 0.593 58.406 58.200 -0.645 0.000 0.963 353 S CB -0.468 61.881 63.200 -1.418 0.000 0.827 353 S HN 0.610 nan 8.310 nan 0.000 0.481 354 G N 0.430 109.006 108.800 -0.374 0.000 2.160 354 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.251 354 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.251 354 G C -0.225 174.557 174.900 -0.196 0.000 1.008 354 G CA 0.386 45.328 45.100 -0.262 0.000 0.724 354 G HN 0.517 nan 8.290 nan 0.000 0.514 355 Y N -0.340 119.776 120.300 -0.307 0.000 2.304 355 Y HA 0.429 4.979 4.550 -0.001 0.000 0.327 355 Y C 1.729 177.384 175.900 -0.409 0.000 1.209 355 Y CA -0.661 57.185 58.100 -0.424 0.000 1.299 355 Y CB 0.459 38.746 38.460 -0.289 0.000 1.249 355 Y HN 0.328 nan 8.280 nan 0.000 0.519 356 H N 1.036 119.973 119.070 -0.223 0.000 2.502 356 H HA -0.047 4.508 4.556 -0.001 0.000 0.283 356 H C 0.104 175.354 175.328 -0.130 0.000 1.015 356 H CA 0.077 56.028 56.048 -0.162 0.000 1.298 356 H CB 0.153 29.865 29.762 -0.083 0.000 1.411 356 H HN 0.375 nan 8.280 nan 0.000 0.556 357 F N 2.823 122.501 119.950 -0.453 0.000 2.504 357 F HA 0.123 4.650 4.527 -0.001 0.000 0.369 357 F C 0.132 175.904 175.800 -0.046 0.000 1.082 357 F CA -0.918 56.917 58.000 -0.275 0.000 1.216 357 F CB 0.379 39.027 39.000 -0.588 0.000 1.108 357 F HN -0.221 nan 8.300 nan 0.000 0.554 358 K N 7.838 127.847 120.400 -0.652 0.000 2.315 358 K HA 0.204 4.524 4.320 -0.001 0.000 0.291 358 K C -0.198 175.828 176.600 -0.958 0.000 1.074 358 K CA -0.202 55.728 56.287 -0.595 0.000 0.936 358 K CB 0.249 32.579 32.500 -0.283 0.000 1.049 358 K HN 0.658 nan 8.250 nan 0.000 0.471 359 L N 2.979 123.865 121.223 -0.562 0.000 2.483 359 L HA 0.102 4.442 4.340 -0.001 0.000 0.275 359 L C 0.409 177.172 176.870 -0.177 0.000 1.220 359 L CA 0.485 55.136 54.840 -0.315 0.000 0.833 359 L CB 0.324 42.336 42.059 -0.078 0.000 1.102 359 L HN 0.529 nan 8.230 nan 0.000 0.490 360 K N 1.881 122.252 120.400 -0.049 0.000 2.468 360 K HA 0.332 4.652 4.320 -0.001 0.000 0.252 360 K C -1.436 175.233 176.600 0.114 0.000 0.932 360 K CA -0.696 55.602 56.287 0.019 0.000 0.794 360 K CB 1.710 34.212 32.500 0.003 0.000 1.241 360 K HN 0.275 nan 8.250 nan 0.000 0.428 361 F N 4.372 124.291 119.950 -0.051 0.000 2.303 361 F HA 0.359 4.886 4.527 -0.000 0.000 0.368 361 F C -1.084 174.653 175.800 -0.105 0.000 1.105 361 F CA -1.000 56.952 58.000 -0.080 0.000 1.153 361 F CB 0.549 39.517 39.000 -0.053 0.000 1.362 361 F HN 0.473 nan 8.300 nan 0.000 0.511 362 D N 8.092 128.266 120.400 -0.377 0.000 2.336 362 D HA 0.368 5.008 4.640 -0.001 0.000 0.248 362 D C -2.210 173.708 176.300 -0.636 0.000 1.326 362 D CA -2.115 51.584 54.000 -0.501 0.000 0.973 362 D CB 1.980 42.649 40.800 -0.219 0.000 1.255 362 D HN 0.170 nan 8.370 nan 0.000 0.558 363 P HA -0.150 nan 4.420 nan 0.000 0.219 363 P C 0.828 177.453 177.300 -1.125 0.000 1.144 363 P CA 1.001 63.508 63.100 -0.988 0.000 0.806 363 P CB 0.364 31.122 31.700 -1.570 0.000 0.771 364 E N -0.585 118.963 120.200 -1.087 0.000 2.204 364 E HA -0.095 4.255 4.350 -0.001 0.000 0.194 364 E C 1.924 178.152 176.600 -0.620 0.000 0.989 364 E CA 0.723 56.381 56.400 -1.236 0.000 0.824 364 E CB -0.534 28.914 29.700 -0.420 0.000 0.756 364 E HN 0.341 nan 8.360 nan 0.000 0.477 365 L N 0.454 121.444 121.223 -0.388 0.000 2.189 365 L HA -0.193 4.146 4.340 -0.001 0.000 0.214 365 L C 2.108 178.899 176.870 -0.132 0.000 1.097 365 L CA 1.075 55.807 54.840 -0.179 0.000 0.764 365 L CB -0.451 41.529 42.059 -0.130 0.000 0.900 365 L HN 0.177 nan 8.230 nan 0.000 0.436 366 L N -2.056 119.041 121.223 -0.210 0.000 2.607 366 L HA 0.055 4.395 4.340 -0.001 0.000 0.228 366 L C 1.779 178.795 176.870 0.244 0.000 1.123 366 L CA -0.420 54.387 54.840 -0.055 0.000 0.890 366 L CB -0.124 41.758 42.059 -0.294 0.000 1.103 366 L HN 0.054 nan 8.230 nan 0.000 0.468 367 F N 1.584 121.595 119.950 0.101 0.000 2.451 367 F HA -0.110 4.417 4.527 -0.000 0.000 0.299 367 F C 1.889 177.762 175.800 0.122 0.000 1.101 367 F CA 0.604 58.685 58.000 0.135 0.000 1.436 367 F CB -0.649 38.427 39.000 0.127 0.000 1.074 367 F HN 0.401 nan 8.300 nan 0.000 0.553 368 N N -1.309 117.556 118.700 0.276 0.000 2.177 368 N HA 0.008 4.748 4.740 -0.001 0.000 0.218 368 N C -0.012 175.597 175.510 0.165 0.000 1.182 368 N CA 0.022 53.187 53.050 0.192 0.000 0.882 368 N CB -0.082 38.497 38.487 0.153 0.000 1.052 368 N HN 0.055 nan 8.380 nan 0.000 0.519 369 Q N 0.493 120.406 119.800 0.188 0.000 2.215 369 Q HA 0.323 4.662 4.340 -0.001 0.000 0.256 369 Q C -0.443 175.690 176.000 0.220 0.000 0.972 369 Q CA -0.359 55.548 55.803 0.174 0.000 0.889 369 Q CB 1.476 30.303 28.738 0.150 0.000 1.281 369 Q HN 0.301 nan 8.270 nan 0.000 0.456 370 Q N 0.949 120.864 119.800 0.192 0.000 2.288 370 Q HA 0.508 4.848 4.340 -0.001 0.000 0.258 370 Q C -1.162 175.002 176.000 0.273 0.000 0.957 370 Q CA 0.055 55.974 55.803 0.193 0.000 0.919 370 Q CB 0.673 29.483 28.738 0.120 0.000 1.185 370 Q HN 0.399 nan 8.270 nan 0.000 0.408 371 F N 1.391 121.397 119.950 0.092 0.000 2.622 371 F HA 0.163 4.690 4.527 -0.001 0.000 0.318 371 F C -1.382 174.436 175.800 0.030 0.000 1.135 371 F CA -0.848 57.157 58.000 0.009 0.000 1.015 371 F CB 1.720 40.667 39.000 -0.087 0.000 1.275 371 F HN 0.291 nan 8.300 nan 0.000 0.457 372 Q N 5.475 124.864 119.800 -0.684 0.000 2.361 372 Q HA 0.152 4.492 4.340 -0.001 0.000 0.250 372 Q C -1.012 174.705 176.000 -0.472 0.000 1.023 372 Q CA 0.023 55.592 55.803 -0.391 0.000 0.915 372 Q CB 0.308 28.859 28.738 -0.312 0.000 1.238 372 Q HN 0.631 nan 8.270 nan 0.000 0.451 373 Y N 2.912 123.173 120.300 -0.065 0.000 2.889 373 Y HA 0.014 4.564 4.550 -0.000 0.000 0.367 373 Y C 0.852 176.753 175.900 0.002 0.000 1.197 373 Y CA 0.011 58.165 58.100 0.090 0.000 1.993 373 Y CB -0.020 38.562 38.460 0.202 0.000 2.112 373 Y HN 0.408 nan 8.280 nan 0.000 0.413 374 Q N -0.425 119.373 119.800 -0.003 0.000 2.648 374 Q HA 0.616 4.956 4.340 -0.001 0.000 0.300 374 Q C -1.760 174.194 176.000 -0.076 0.000 0.954 374 Q CA -1.367 54.423 55.803 -0.021 0.000 0.757 374 Q CB 2.534 31.257 28.738 -0.026 0.000 1.482 374 Q HN 0.248 nan 8.270 nan 0.000 0.437 375 N N -0.868 117.789 118.700 -0.072 0.000 3.171 375 N HA 0.482 5.222 4.740 -0.001 0.000 0.239 375 N C -2.269 173.207 175.510 -0.057 0.000 1.275 375 N CA -0.455 52.552 53.050 -0.072 0.000 0.920 375 N CB 2.192 40.635 38.487 -0.073 0.000 1.554 375 N HN 0.598 nan 8.380 nan 0.000 0.504 376 R N 1.904 122.398 120.500 -0.011 0.000 2.502 376 R HA 0.460 4.800 4.340 -0.001 0.000 0.298 376 R C -0.687 175.742 176.300 0.215 0.000 1.018 376 R CA -0.754 55.415 56.100 0.115 0.000 0.899 376 R CB 0.598 30.876 30.300 -0.037 0.000 1.181 376 R HN 0.617 nan 8.270 nan 0.000 0.444 377 I N 2.041 122.794 120.570 0.304 0.000 2.598 377 I HA 0.435 4.605 4.170 -0.001 0.000 0.284 377 I C -0.288 175.978 176.117 0.247 0.000 1.140 377 I CA 0.060 61.427 61.300 0.111 0.000 1.420 377 I CB 0.891 38.863 38.000 -0.047 0.000 1.387 377 I HN 0.633 nan 8.210 nan 0.000 0.553 378 A N 5.171 128.035 122.820 0.073 0.000 2.293 378 A HA 0.475 4.794 4.320 -0.001 0.000 0.302 378 A C 1.203 178.744 177.584 -0.071 0.000 1.119 378 A CA -0.346 51.690 52.037 -0.001 0.000 0.823 378 A CB 0.958 19.830 19.000 -0.214 0.000 1.097 378 A HN 0.903 nan 8.150 nan 0.000 0.491 379 S N 0.552 116.208 115.700 -0.074 0.000 2.343 379 S HA -0.162 4.307 4.470 -0.001 0.000 0.219 379 S C 1.725 176.265 174.600 -0.100 0.000 1.033 379 S CA 2.122 60.222 58.200 -0.166 0.000 1.014 379 S CB -0.451 62.754 63.200 0.009 0.000 0.915 379 S HN 0.820 nan 8.310 nan 0.000 0.435 380 E N 0.749 120.911 120.200 -0.064 0.000 2.147 380 E HA -0.167 4.182 4.350 -0.001 0.000 0.199 380 E C 1.606 178.166 176.600 -0.067 0.000 1.005 380 E CA 1.027 57.407 56.400 -0.033 0.000 0.810 380 E CB -0.328 29.376 29.700 0.007 0.000 0.736 380 E HN 0.447 nan 8.360 nan 0.000 0.460 381 F N 1.105 120.736 119.950 -0.532 0.000 2.186 381 F HA -0.067 4.459 4.527 -0.001 0.000 0.299 381 F C 1.892 177.560 175.800 -0.221 0.000 1.090 381 F CA 1.297 59.088 58.000 -0.349 0.000 1.307 381 F CB -0.576 38.181 39.000 -0.405 0.000 1.019 381 F HN 0.027 nan 8.300 nan 0.000 0.489 382 N N -1.193 117.294 118.700 -0.355 0.000 2.084 382 N HA -0.194 4.546 4.740 -0.001 0.000 0.190 382 N C 1.679 176.818 175.510 -0.619 0.000 1.030 382 N CA 1.772 54.125 53.050 -1.162 0.000 0.849 382 N CB -0.041 37.926 38.487 -0.866 0.000 1.012 382 N HN 0.198 nan 8.380 nan 0.000 0.423 383 T N 1.456 115.889 114.554 -0.202 0.000 2.643 383 T HA -0.105 4.245 4.350 -0.001 0.000 0.264 383 T C 1.936 176.688 174.700 0.087 0.000 1.045 383 T CA 1.089 63.197 62.100 0.013 0.000 1.155 383 T CB -0.416 68.392 68.868 -0.100 0.000 0.863 383 T HN 0.170 nan 8.240 nan 0.000 0.420 384 L N -0.466 120.757 121.223 0.000 0.000 2.051 384 L HA -0.179 4.160 4.340 -0.001 0.000 0.214 384 L C 2.095 178.903 176.870 -0.103 0.000 1.076 384 L CA 1.545 56.390 54.840 0.009 0.000 0.758 384 L CB -0.636 41.453 42.059 0.049 0.000 0.890 384 L HN 0.285 nan 8.230 nan 0.000 0.433 385 Y N -0.855 119.142 120.300 -0.505 0.000 2.488 385 Y HA -0.036 4.514 4.550 -0.001 0.000 0.319 385 Y C 0.509 175.867 175.900 -0.904 0.000 1.212 385 Y CA -0.063 57.428 58.100 -1.014 0.000 1.273 385 Y CB -0.838 36.913 38.460 -1.182 0.000 1.074 385 Y HN 0.165 nan 8.280 nan 0.000 0.503 386 H N -0.915 118.027 119.070 -0.214 0.000 3.014 386 H HA 0.034 4.590 4.556 -0.001 0.000 0.266 386 H C -0.628 174.831 175.328 0.218 0.000 1.455 386 H CA -0.141 55.857 56.048 -0.082 0.000 1.402 386 H CB -0.301 29.506 29.762 0.076 0.000 1.626 386 H HN 0.192 nan 8.280 nan 0.000 0.520 387 W N 2.281 123.513 121.300 -0.113 0.000 2.564 387 W HA 0.163 4.823 4.660 -0.000 0.000 0.414 387 W C 0.432 176.936 176.519 -0.025 0.000 0.700 387 W CA -0.828 56.524 57.345 0.011 0.000 2.430 387 W CB -1.025 28.514 29.460 0.132 0.000 1.529 387 W HN 0.791 nan 8.180 nan 0.000 0.795 388 H N 0.485 119.804 119.070 0.415 0.000 2.421 388 H HA -0.101 4.455 4.556 -0.001 0.000 0.298 388 H C -0.560 174.924 175.328 0.261 0.000 1.087 388 H CA 1.389 57.632 56.048 0.324 0.000 1.330 388 H CB -0.952 28.991 29.762 0.303 0.000 1.388 388 H HN -0.020 nan 8.280 nan 0.000 0.526 389 P HA -0.122 nan 4.420 nan 0.000 0.228 389 P C 0.895 178.271 177.300 0.127 0.000 1.151 389 P CA 1.012 64.207 63.100 0.159 0.000 0.770 389 P CB 0.021 31.760 31.700 0.065 0.000 0.786 390 L N -1.870 119.451 121.223 0.164 0.000 2.217 390 L HA -0.068 4.272 4.340 -0.001 0.000 0.211 390 L C 1.069 178.035 176.870 0.161 0.000 1.107 390 L CA 0.331 55.244 54.840 0.122 0.000 0.783 390 L CB -0.671 41.493 42.059 0.174 0.000 0.919 390 L HN -0.011 nan 8.230 nan 0.000 0.442 391 L N 1.873 123.234 121.223 0.230 0.000 2.499 391 L HA 0.058 4.398 4.340 -0.001 0.000 0.273 391 L C -1.801 175.201 176.870 0.219 0.000 1.195 391 L CA -1.176 53.812 54.840 0.247 0.000 0.882 391 L CB -0.169 42.187 42.059 0.496 0.000 1.133 391 L HN -0.082 nan 8.230 nan 0.000 0.483 392 P HA 0.145 nan 4.420 nan 0.000 0.297 392 P C -0.531 176.650 177.300 -0.198 0.000 1.307 392 P CA -0.467 62.486 63.100 -0.245 0.000 0.773 392 P CB 1.177 32.576 31.700 -0.502 0.000 1.265 393 D N -1.318 118.913 120.400 -0.281 0.000 2.305 393 D HA 0.026 4.665 4.640 -0.001 0.000 0.206 393 D C 0.560 176.764 176.300 -0.161 0.000 0.974 393 D CA 1.338 55.270 54.000 -0.114 0.000 0.871 393 D CB 0.164 40.904 40.800 -0.100 0.000 0.947 393 D HN 0.492 nan 8.370 nan 0.000 0.516 394 T N -1.762 112.571 114.554 -0.369 0.000 2.909 394 T HA 0.530 4.880 4.350 -0.001 0.000 0.299 394 T C -0.700 173.657 174.700 -0.572 0.000 1.073 394 T CA -0.848 61.036 62.100 -0.360 0.000 0.999 394 T CB 1.355 70.111 68.868 -0.187 0.000 1.098 394 T HN -0.253 nan 8.240 nan 0.000 0.477 395 F N 1.919 121.758 119.950 -0.185 0.000 2.313 395 F HA 0.380 4.907 4.527 -0.000 0.000 0.369 395 F C 0.606 176.357 175.800 -0.080 0.000 1.109 395 F CA -1.062 56.768 58.000 -0.283 0.000 1.132 395 F CB 0.242 38.703 39.000 -0.898 0.000 1.291 395 F HN 0.555 nan 8.300 nan 0.000 0.496 396 N N 4.920 123.647 118.700 0.045 0.000 2.482 396 N HA 0.326 5.066 4.740 -0.001 0.000 0.242 396 N C -0.694 174.803 175.510 -0.021 0.000 1.100 396 N CA -0.177 52.867 53.050 -0.010 0.000 0.946 396 N CB 0.771 39.219 38.487 -0.065 0.000 1.227 396 N HN 0.478 nan 8.380 nan 0.000 0.508 397 I N 2.026 122.542 120.570 -0.090 0.000 2.310 397 I HA 0.064 4.234 4.170 -0.001 0.000 0.287 397 I C 0.110 176.018 176.117 -0.348 0.000 1.073 397 I CA -0.626 60.446 61.300 -0.379 0.000 1.216 397 I CB 0.436 38.026 38.000 -0.683 0.000 1.415 397 I HN 0.417 nan 8.210 nan 0.000 0.480 398 E N 5.199 125.260 120.200 -0.231 0.000 0.811 398 E HA -0.276 4.074 4.350 -0.001 0.000 0.333 398 E C -0.014 176.530 176.600 -0.092 0.000 0.968 398 E CA 1.038 57.359 56.400 -0.132 0.000 1.232 398 E CB -0.420 29.226 29.700 -0.090 0.000 0.560 398 E HN 0.726 nan 8.360 nan 0.000 0.342 399 D N 0.260 120.614 120.400 -0.077 0.000 2.078 399 D HA -0.176 4.464 4.640 -0.001 0.000 0.169 399 D C -0.140 176.103 176.300 -0.095 0.000 1.364 399 D CA 1.602 55.567 54.000 -0.058 0.000 1.286 399 D CB -0.514 40.277 40.800 -0.014 0.000 1.274 399 D HN 0.429 nan 8.370 nan 0.000 0.522 400 Q N 0.661 120.370 119.800 -0.151 0.000 2.353 400 Q HA 0.494 4.834 4.340 -0.001 0.000 0.268 400 Q C -0.747 174.993 176.000 -0.432 0.000 1.045 400 Q CA -0.052 55.572 55.803 -0.298 0.000 0.811 400 Q CB 1.618 30.164 28.738 -0.320 0.000 1.305 400 Q HN 0.233 nan 8.270 nan 0.000 0.447 401 E N 2.286 122.211 120.200 -0.458 0.000 2.207 401 E HA 0.444 4.793 4.350 -0.001 0.000 0.270 401 E C -1.036 175.297 176.600 -0.445 0.000 0.927 401 E CA -0.613 55.593 56.400 -0.323 0.000 0.799 401 E CB 1.615 31.203 29.700 -0.187 0.000 1.172 401 E HN 0.397 nan 8.360 nan 0.000 0.404 402 Y N 0.220 120.515 120.300 -0.009 0.000 2.446 402 Y HA 0.202 4.752 4.550 -0.000 0.000 0.345 402 Y C 0.584 176.533 175.900 0.080 0.000 0.984 402 Y CA -0.917 57.228 58.100 0.076 0.000 1.058 402 Y CB 1.938 40.502 38.460 0.173 0.000 1.220 402 Y HN 0.468 nan 8.280 nan 0.000 0.455 403 S N 0.987 116.863 115.700 0.293 0.000 2.617 403 S HA 0.225 4.695 4.470 -0.001 0.000 0.269 403 S C 0.728 175.581 174.600 0.421 0.000 1.292 403 S CA -0.497 57.865 58.200 0.271 0.000 1.010 403 S CB 0.469 63.798 63.200 0.215 0.000 0.944 403 S HN 0.564 nan 8.310 nan 0.000 0.536 404 F N 1.999 122.093 119.950 0.239 0.000 2.043 404 F HA -0.100 4.427 4.527 -0.001 0.000 0.297 404 F C 2.314 178.283 175.800 0.280 0.000 1.118 404 F CA 2.194 60.422 58.000 0.380 0.000 1.202 404 F CB -0.826 38.331 39.000 0.262 0.000 0.965 404 F HN 0.584 nan 8.300 nan 0.000 0.482 405 K N -0.107 120.525 120.400 0.387 0.000 2.218 405 K HA -0.222 4.098 4.320 -0.001 0.000 0.205 405 K C 1.843 178.539 176.600 0.160 0.000 1.046 405 K CA 1.553 57.973 56.287 0.221 0.000 0.933 405 K CB -0.489 32.120 32.500 0.182 0.000 0.728 405 K HN 0.430 nan 8.250 nan 0.000 0.454 406 Q N -1.314 118.631 119.800 0.242 0.000 2.250 406 Q HA 0.054 4.393 4.340 -0.001 0.000 0.200 406 Q C 1.614 177.739 176.000 0.208 0.000 0.941 406 Q CA 0.540 56.490 55.803 0.245 0.000 0.872 406 Q CB 0.020 28.986 28.738 0.380 0.000 0.965 406 Q HN 0.262 nan 8.270 nan 0.000 0.480 407 F N 1.316 121.280 119.950 0.023 0.000 2.187 407 F HA 0.050 4.577 4.527 -0.001 0.000 0.295 407 F C 0.626 176.269 175.800 -0.262 0.000 1.091 407 F CA 0.282 58.186 58.000 -0.160 0.000 1.308 407 F CB 0.046 38.972 39.000 -0.123 0.000 1.030 407 F HN -0.108 nan 8.300 nan 0.000 0.487 408 L N 2.431 123.528 121.223 -0.209 0.000 2.667 408 L HA -0.174 4.165 4.340 -0.001 0.000 0.278 408 L C 0.180 176.442 176.870 -1.012 0.000 1.217 408 L CA 0.238 54.736 54.840 -0.568 0.000 0.935 408 L CB -1.024 40.685 42.059 -0.582 0.000 1.193 408 L HN 0.532 nan 8.230 nan 0.000 0.493 409 Y N 1.453 121.690 120.300 -0.104 0.000 3.152 409 Y HA -0.300 4.250 4.550 -0.001 0.000 0.212 409 Y C 0.072 175.924 175.900 -0.079 0.000 1.198 409 Y CA 0.301 58.360 58.100 -0.069 0.000 1.220 409 Y CB -2.290 36.177 38.460 0.013 0.000 1.326 409 Y HN 0.723 nan 8.280 nan 0.000 0.562 410 N N 1.587 120.172 118.700 -0.193 0.000 2.800 410 N HA 0.239 4.979 4.740 -0.001 0.000 0.240 410 N C 0.028 175.410 175.510 -0.212 0.000 1.096 410 N CA -0.255 52.705 53.050 -0.149 0.000 0.877 410 N CB 0.009 38.400 38.487 -0.161 0.000 1.138 410 N HN 0.649 nan 8.380 nan 0.000 0.509 411 N N -0.045 118.538 118.700 -0.196 0.000 2.457 411 N HA -0.101 4.638 4.740 -0.001 0.000 0.180 411 N C 1.312 176.715 175.510 -0.177 0.000 1.050 411 N CA 0.614 53.520 53.050 -0.239 0.000 0.906 411 N CB 0.347 38.551 38.487 -0.471 0.000 0.968 411 N HN 0.484 nan 8.380 nan 0.000 0.445 412 S N 0.824 116.436 115.700 -0.146 0.000 2.419 412 S HA -0.089 4.381 4.470 -0.001 0.000 0.233 412 S C 1.814 176.388 174.600 -0.043 0.000 1.016 412 S CA 0.644 58.786 58.200 -0.097 0.000 0.974 412 S CB -0.427 62.733 63.200 -0.067 0.000 0.786 412 S HN 0.286 nan 8.310 nan 0.000 0.492 413 I N 1.004 121.569 120.570 -0.009 0.000 2.208 413 I HA -0.166 4.003 4.170 -0.001 0.000 0.245 413 I C 2.466 178.788 176.117 0.343 0.000 1.097 413 I CA 1.055 62.440 61.300 0.141 0.000 1.363 413 I CB -0.414 37.598 38.000 0.020 0.000 1.051 413 I HN 0.273 nan 8.210 nan 0.000 0.413 414 L N 0.818 122.134 121.223 0.156 0.000 2.005 414 L HA -0.160 4.180 4.340 -0.001 0.000 0.207 414 L C 2.272 179.150 176.870 0.012 0.000 1.072 414 L CA 1.837 56.642 54.840 -0.057 0.000 0.744 414 L CB -0.521 41.438 42.059 -0.167 0.000 0.895 414 L HN 0.117 nan 8.230 nan 0.000 0.433 415 L N -0.637 120.575 121.223 -0.019 0.000 2.265 415 L HA -0.149 4.191 4.340 -0.001 0.000 0.215 415 L C 2.590 179.426 176.870 -0.057 0.000 1.117 415 L CA 0.684 55.474 54.840 -0.082 0.000 0.782 415 L CB -0.636 41.321 42.059 -0.170 0.000 0.914 415 L HN 0.388 nan 8.230 nan 0.000 0.441 416 E N 0.230 120.373 120.200 -0.095 0.000 1.999 416 E HA -0.198 4.151 4.350 -0.001 0.000 0.194 416 E C 2.081 178.513 176.600 -0.280 0.000 0.995 416 E CA 1.764 57.998 56.400 -0.278 0.000 0.825 416 E CB -0.252 29.078 29.700 -0.617 0.000 0.777 416 E HN 0.606 nan 8.360 nan 0.000 0.459 417 H N -0.989 118.198 119.070 0.195 0.000 2.482 417 H HA 0.253 4.808 4.556 -0.001 0.000 0.286 417 H C 0.848 176.287 175.328 0.186 0.000 1.017 417 H CA 0.615 56.782 56.048 0.198 0.000 1.322 417 H CB -0.055 29.847 29.762 0.234 0.000 1.426 417 H HN 0.343 nan 8.280 nan 0.000 0.546 418 G N 2.518 111.472 108.800 0.258 0.000 2.460 418 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.259 418 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.259 418 G C 0.304 175.224 174.900 0.033 0.000 0.959 418 G CA 0.196 45.364 45.100 0.113 0.000 1.330 418 G HN 0.296 nan 8.290 nan 0.000 0.451 419 L N -0.589 120.553 121.223 -0.135 0.000 3.542 419 L HA -0.397 3.942 4.340 -0.001 0.000 0.053 419 L C 3.034 179.914 176.870 0.017 0.000 4.355 419 L CA 3.812 58.567 54.840 -0.141 0.000 0.629 419 L CB -2.387 39.552 42.059 -0.200 0.000 3.504 419 L HN 0.995 nan 8.230 nan 0.000 0.781 420 T N -0.789 113.770 114.554 0.008 0.000 2.570 420 T HA -0.243 4.106 4.350 -0.001 0.000 0.266 420 T C 1.056 175.797 174.700 0.068 0.000 1.071 420 T CA 1.983 64.098 62.100 0.025 0.000 1.172 420 T CB -0.276 68.603 68.868 0.019 0.000 0.864 420 T HN 0.364 nan 8.240 nan 0.000 0.421 421 Q N 0.325 120.190 119.800 0.109 0.000 2.553 421 Q HA 0.455 4.795 4.340 -0.001 0.000 0.221 421 Q C -0.622 175.487 176.000 0.182 0.000 1.219 421 Q CA -0.474 55.394 55.803 0.107 0.000 0.955 421 Q CB -0.485 28.332 28.738 0.132 0.000 1.399 421 Q HN 0.543 nan 8.270 nan 0.000 0.551 422 F N 0.658 120.504 119.950 -0.173 0.000 1.835 422 F HA -0.088 4.438 4.527 -0.000 0.000 0.431 422 F C 0.810 176.402 175.800 -0.347 0.000 0.941 422 F CA 0.308 58.077 58.000 -0.385 0.000 0.919 422 F CB 0.084 38.919 39.000 -0.274 0.000 1.397 422 F HN 0.226 nan 8.300 nan 0.000 0.418 423 V N 0.844 120.807 119.914 0.082 0.000 2.407 423 V HA -0.161 3.958 4.120 -0.001 0.000 0.245 423 V C 1.818 177.964 176.094 0.087 0.000 1.041 423 V CA 2.531 64.880 62.300 0.083 0.000 1.040 423 V CB -0.277 31.563 31.823 0.029 0.000 0.671 423 V HN 0.313 nan 8.190 nan 0.000 0.455 424 E N 0.038 120.271 120.200 0.054 0.000 2.047 424 E HA -0.150 4.199 4.350 -0.001 0.000 0.191 424 E C 2.385 179.019 176.600 0.056 0.000 0.987 424 E CA 1.564 58.004 56.400 0.066 0.000 0.799 424 E CB -0.197 29.532 29.700 0.049 0.000 0.752 424 E HN 0.511 nan 8.360 nan 0.000 0.449 425 S N 0.836 116.522 115.700 -0.024 0.000 2.354 425 S HA -0.146 4.324 4.470 -0.001 0.000 0.219 425 S C 1.707 176.405 174.600 0.163 0.000 1.035 425 S CA 1.072 59.251 58.200 -0.035 0.000 1.037 425 S CB -0.396 62.647 63.200 -0.261 0.000 0.956 425 S HN 0.175 nan 8.310 nan 0.000 0.428 426 F N 2.335 122.304 119.950 0.031 0.000 2.250 426 F HA -0.086 4.441 4.527 -0.001 0.000 0.301 426 F C 2.733 178.601 175.800 0.113 0.000 1.077 426 F CA 0.677 58.737 58.000 0.100 0.000 1.348 426 F CB -1.975 37.137 39.000 0.187 0.000 1.040 426 F HN 0.185 nan 8.300 nan 0.000 0.509 427 T N -0.187 114.533 114.554 0.278 0.000 2.867 427 T HA -0.141 4.209 4.350 -0.001 0.000 0.268 427 T C 1.008 175.808 174.700 0.167 0.000 1.057 427 T CA 0.916 63.130 62.100 0.191 0.000 1.136 427 T CB -0.253 68.714 68.868 0.165 0.000 0.874 427 T HN 0.134 nan 8.240 nan 0.000 0.466 428 R N 1.788 122.382 120.500 0.156 0.000 2.790 428 R HA 0.476 4.816 4.340 -0.001 0.000 0.274 428 R C -0.365 175.994 176.300 0.099 0.000 1.334 428 R CA -0.169 55.997 56.100 0.110 0.000 1.543 428 R CB 0.431 30.781 30.300 0.083 0.000 1.154 428 R HN 0.208 nan 8.270 nan 0.000 0.601 429 Q N 2.985 122.839 119.800 0.091 0.000 3.087 429 Q HA 0.110 4.449 4.340 -0.001 0.000 0.202 429 Q C -0.557 175.462 176.000 0.031 0.000 0.763 429 Q CA -0.357 55.478 55.803 0.053 0.000 1.023 429 Q CB 0.685 29.472 28.738 0.081 0.000 1.570 429 Q HN 0.643 nan 8.270 nan 0.000 0.494 430 I N 0.007 120.597 120.570 0.035 0.000 3.141 430 I HA 0.367 4.536 4.170 -0.001 0.000 0.295 430 I C 0.187 176.360 176.117 0.092 0.000 1.252 430 I CA 0.178 61.514 61.300 0.059 0.000 1.406 430 I CB 0.311 38.376 38.000 0.108 0.000 1.333 430 I HN 0.496 nan 8.210 nan 0.000 0.594 431 A N 3.404 126.275 122.820 0.086 0.000 2.354 431 A HA 0.767 5.087 4.320 -0.001 0.000 0.321 431 A C 0.290 177.955 177.584 0.134 0.000 1.125 431 A CA -0.192 51.913 52.037 0.112 0.000 0.799 431 A CB 0.876 19.877 19.000 0.002 0.000 1.293 431 A HN 1.063 nan 8.150 nan 0.000 0.452 432 G N -0.208 108.682 108.800 0.150 0.000 2.636 432 G HA2 0.419 4.379 3.960 -0.001 0.000 0.246 432 G HA3 0.419 4.379 3.960 -0.001 0.000 0.246 432 G C 0.226 174.979 174.900 -0.246 0.000 1.216 432 G CA -0.447 44.530 45.100 -0.205 0.000 0.854 432 G HN 0.885 nan 8.290 nan 0.000 0.572 433 R N 0.265 120.568 120.500 -0.330 0.000 2.490 433 R HA 0.296 4.636 4.340 -0.001 0.000 0.280 433 R C 0.999 177.155 176.300 -0.239 0.000 1.077 433 R CA -0.649 55.269 56.100 -0.303 0.000 1.065 433 R CB 1.010 31.140 30.300 -0.284 0.000 1.003 433 R HN 0.250 nan 8.270 nan 0.000 0.470 434 V N 3.559 123.314 119.914 -0.266 0.000 2.278 434 V HA 0.006 4.126 4.120 -0.001 0.000 0.238 434 V C 1.157 177.198 176.094 -0.088 0.000 1.039 434 V CA 1.687 63.899 62.300 -0.147 0.000 1.017 434 V CB -0.606 31.127 31.823 -0.150 0.000 0.657 434 V HN 0.946 nan 8.190 nan 0.000 0.462 435 A N -0.908 121.872 122.820 -0.067 0.000 2.292 435 A HA 0.505 4.825 4.320 -0.001 0.000 0.265 435 A C 1.486 179.015 177.584 -0.091 0.000 1.133 435 A CA 0.731 52.741 52.037 -0.045 0.000 0.807 435 A CB -0.381 18.620 19.000 0.002 0.000 1.102 435 A HN 1.305 nan 8.150 nan 0.000 0.502 436 G N -1.751 107.003 108.800 -0.077 0.000 3.047 436 G HA2 0.443 4.403 3.960 -0.001 0.000 0.203 436 G HA3 0.443 4.403 3.960 -0.001 0.000 0.203 436 G C 1.264 176.119 174.900 -0.077 0.000 1.444 436 G CA 0.646 45.694 45.100 -0.087 0.000 1.020 436 G HN 3.005 nan 8.290 nan 0.000 0.563 437 G N -1.163 107.589 108.800 -0.080 0.000 2.333 437 G HA2 0.539 4.499 3.960 -0.001 0.000 0.330 437 G HA3 0.539 4.499 3.960 -0.001 0.000 0.330 437 G C 0.021 174.881 174.900 -0.067 0.000 1.465 437 G CA 0.254 45.315 45.100 -0.066 0.000 0.996 437 G HN 1.424 nan 8.290 nan 0.000 0.655 438 R N -0.567 119.903 120.500 -0.050 0.000 2.841 438 R HA -0.233 4.106 4.340 -0.001 0.000 0.224 438 R C 0.547 176.818 176.300 -0.048 0.000 0.809 438 R CA 0.987 57.062 56.100 -0.042 0.000 0.547 438 R CB -0.751 29.527 30.300 -0.037 0.000 1.099 438 R HN 0.404 nan 8.270 nan 0.000 0.503 439 N N -0.387 118.284 118.700 -0.048 0.000 2.200 439 N HA 0.070 4.810 4.740 -0.001 0.000 0.224 439 N C -0.689 174.826 175.510 0.007 0.000 1.179 439 N CA -0.009 53.010 53.050 -0.051 0.000 0.877 439 N CB 0.981 39.402 38.487 -0.110 0.000 1.072 439 N HN 0.037 nan 8.380 nan 0.000 0.519 440 V N 2.874 122.803 119.914 0.025 0.000 2.415 440 V HA 0.254 4.373 4.120 -0.001 0.000 0.267 440 V C -2.019 174.096 176.094 0.036 0.000 1.042 440 V CA -1.400 60.941 62.300 0.068 0.000 1.000 440 V CB 0.752 32.622 31.823 0.079 0.000 1.015 440 V HN 0.086 nan 8.190 nan 0.000 0.478 441 P HA 0.039 nan 4.420 nan 0.000 0.261 441 P C 1.197 178.417 177.300 -0.134 0.000 1.183 441 P CA 0.173 63.233 63.100 -0.067 0.000 0.761 441 P CB 0.373 32.006 31.700 -0.111 0.000 0.785 442 I N 2.527 123.017 120.570 -0.133 0.000 2.657 442 I HA -0.254 3.915 4.170 -0.001 0.000 0.261 442 I C 1.876 177.893 176.117 -0.168 0.000 1.212 442 I CA 1.497 62.728 61.300 -0.114 0.000 1.453 442 I CB -1.478 36.471 38.000 -0.085 0.000 1.092 442 I HN 0.357 nan 8.210 nan 0.000 0.452 443 A N 1.522 124.142 122.820 -0.333 0.000 1.832 443 A HA -0.110 4.210 4.320 -0.001 0.000 0.214 443 A C 1.834 179.286 177.584 -0.219 0.000 1.200 443 A CA 1.612 53.413 52.037 -0.393 0.000 0.610 443 A CB -0.938 17.458 19.000 -1.007 0.000 0.842 443 A HN 0.311 nan 8.150 nan 0.000 0.444 444 V N -0.146 119.638 119.914 -0.217 0.000 3.226 444 V HA 0.141 4.260 4.120 -0.001 0.000 0.385 444 V C 1.166 177.216 176.094 -0.075 0.000 1.268 444 V CA 0.781 63.026 62.300 -0.092 0.000 1.443 444 V CB -1.409 30.370 31.823 -0.074 0.000 1.290 444 V HN 0.742 nan 8.190 nan 0.000 0.490 445 Q N 0.969 120.733 119.800 -0.060 0.000 2.331 445 Q HA 0.237 4.577 4.340 -0.001 0.000 0.203 445 Q C 1.966 177.959 176.000 -0.011 0.000 0.944 445 Q CA 1.246 57.037 55.803 -0.021 0.000 0.892 445 Q CB -0.158 28.565 28.738 -0.025 0.000 0.983 445 Q HN 0.551 nan 8.270 nan 0.000 0.482 446 A N 1.041 123.848 122.820 -0.023 0.000 1.930 446 A HA -0.072 4.248 4.320 -0.001 0.000 0.217 446 A C 2.246 179.814 177.584 -0.026 0.000 1.175 446 A CA 1.385 53.412 52.037 -0.018 0.000 0.627 446 A CB -0.721 18.272 19.000 -0.011 0.000 0.815 446 A HN 0.237 nan 8.150 nan 0.000 0.443 447 V N -0.083 119.805 119.914 -0.042 0.000 2.223 447 V HA -0.246 3.874 4.120 -0.001 0.000 0.244 447 V C 3.087 179.163 176.094 -0.031 0.000 1.045 447 V CA 2.005 64.271 62.300 -0.057 0.000 1.000 447 V CB -1.396 30.323 31.823 -0.175 0.000 0.635 447 V HN 0.598 nan 8.190 nan 0.000 0.445 448 A N -0.411 122.435 122.820 0.044 0.000 1.948 448 A HA -0.330 3.990 4.320 -0.001 0.000 0.220 448 A C 2.355 180.006 177.584 0.111 0.000 1.177 448 A CA 2.524 54.666 52.037 0.174 0.000 0.636 448 A CB -0.567 18.575 19.000 0.237 0.000 0.815 448 A HN 0.555 nan 8.150 nan 0.000 0.449 449 K N -0.560 119.866 120.400 0.044 0.000 2.031 449 K HA -0.025 4.294 4.320 -0.001 0.000 0.205 449 K C 2.256 178.829 176.600 -0.045 0.000 1.049 449 K CA 1.088 57.389 56.287 0.024 0.000 0.939 449 K CB -0.375 32.131 32.500 0.011 0.000 0.717 449 K HN 0.347 nan 8.250 nan 0.000 0.438 450 A N 1.070 123.846 122.820 -0.073 0.000 1.903 450 A HA -0.220 4.100 4.320 -0.001 0.000 0.219 450 A C 2.210 179.663 177.584 -0.218 0.000 1.191 450 A CA 2.413 54.384 52.037 -0.110 0.000 0.638 450 A CB -0.898 18.048 19.000 -0.090 0.000 0.823 450 A HN 0.418 nan 8.150 nan 0.000 0.451 451 S N -0.132 115.342 115.700 -0.376 0.000 2.353 451 S HA -0.177 4.293 4.470 -0.001 0.000 0.222 451 S C 1.828 176.084 174.600 -0.573 0.000 1.035 451 S CA 1.624 59.382 58.200 -0.738 0.000 1.025 451 S CB -0.600 61.694 63.200 -1.510 0.000 0.902 451 S HN 0.549 nan 8.310 nan 0.000 0.440 452 I N 1.886 122.266 120.570 -0.317 0.000 2.118 452 I HA -0.251 3.918 4.170 -0.001 0.000 0.241 452 I C 2.149 178.201 176.117 -0.108 0.000 1.070 452 I CA 1.407 62.659 61.300 -0.080 0.000 1.327 452 I CB -0.679 37.377 38.000 0.094 0.000 1.034 452 I HN 0.205 nan 8.210 nan 0.000 0.405 453 D N 0.601 120.945 120.400 -0.094 0.000 2.104 453 D HA -0.213 4.427 4.640 -0.001 0.000 0.194 453 D C 2.271 178.518 176.300 -0.088 0.000 0.994 453 D CA 1.394 55.354 54.000 -0.066 0.000 0.830 453 D CB -0.365 40.404 40.800 -0.051 0.000 0.959 453 D HN 0.457 nan 8.370 nan 0.000 0.452 454 Q N 0.287 120.004 119.800 -0.139 0.000 2.046 454 Q HA -0.070 4.269 4.340 -0.001 0.000 0.200 454 Q C 2.357 178.249 176.000 -0.180 0.000 0.975 454 Q CA 1.282 57.008 55.803 -0.129 0.000 0.836 454 Q CB -0.055 28.603 28.738 -0.135 0.000 0.896 454 Q HN 0.125 nan 8.270 nan 0.000 0.428 455 S N 0.798 116.279 115.700 -0.365 0.000 2.387 455 S HA -0.201 4.269 4.470 -0.001 0.000 0.230 455 S C 1.757 176.210 174.600 -0.245 0.000 1.035 455 S CA 1.262 59.060 58.200 -0.671 0.000 1.014 455 S CB -0.226 62.491 63.200 -0.806 0.000 0.836 455 S HN 0.318 nan 8.310 nan 0.000 0.466 456 R N 1.183 121.615 120.500 -0.114 0.000 2.073 456 R HA -0.099 4.241 4.340 -0.001 0.000 0.229 456 R C 2.552 178.877 176.300 0.042 0.000 1.120 456 R CA 1.510 57.613 56.100 0.005 0.000 0.967 456 R CB -0.361 29.945 30.300 0.010 0.000 0.862 456 R HN 0.729 nan 8.270 nan 0.000 0.436 457 E N 0.538 120.750 120.200 0.020 0.000 2.208 457 E HA -0.143 4.207 4.350 -0.001 0.000 0.193 457 E C 1.181 177.826 176.600 0.075 0.000 0.988 457 E CA 0.877 57.304 56.400 0.046 0.000 0.828 457 E CB -0.103 29.618 29.700 0.035 0.000 0.763 457 E HN 0.231 nan 8.360 nan 0.000 0.478 458 M N 1.432 121.096 119.600 0.106 0.000 2.729 458 M HA 0.112 4.591 4.480 -0.001 0.000 0.229 458 M C -0.676 175.765 176.300 0.235 0.000 1.280 458 M CA -0.190 55.211 55.300 0.169 0.000 1.012 458 M CB 0.344 33.102 32.600 0.264 0.000 1.603 458 M HN -0.193 nan 8.290 nan 0.000 0.452 459 K N 0.103 120.603 120.400 0.168 0.000 3.834 459 K HA -0.219 4.100 4.320 -0.001 0.000 0.276 459 K C -0.999 175.724 176.600 0.206 0.000 0.850 459 K CA 0.956 57.331 56.287 0.146 0.000 0.704 459 K CB -2.022 30.520 32.500 0.069 0.000 1.644 459 K HN 0.329 nan 8.250 nan 0.000 0.440 460 Y N 0.390 120.725 120.300 0.058 0.000 2.281 460 Y HA 0.101 4.650 4.550 -0.001 0.000 0.337 460 Y C 1.721 177.701 175.900 0.133 0.000 1.304 460 Y CA 0.000 58.173 58.100 0.122 0.000 1.465 460 Y CB 0.678 39.206 38.460 0.113 0.000 1.350 460 Y HN 0.237 nan 8.280 nan 0.000 0.575 461 Q N -0.118 119.891 119.800 0.349 0.000 2.252 461 Q HA 0.406 4.746 4.340 -0.001 0.000 0.256 461 Q C -0.425 175.733 176.000 0.264 0.000 1.020 461 Q CA -1.078 54.820 55.803 0.159 0.000 0.913 461 Q CB 1.475 30.144 28.738 -0.115 0.000 1.286 461 Q HN 0.768 nan 8.270 nan 0.000 0.480 462 S N 0.022 115.792 115.700 0.117 0.000 2.573 462 S HA -0.035 4.435 4.470 -0.001 0.000 0.277 462 S C 0.939 175.641 174.600 0.171 0.000 1.346 462 S CA -0.436 57.828 58.200 0.107 0.000 1.034 462 S CB 0.447 63.660 63.200 0.022 0.000 0.879 462 S HN 0.676 nan 8.310 nan 0.000 0.528 463 L N 2.353 123.639 121.223 0.106 0.000 2.127 463 L HA -0.109 4.231 4.340 -0.001 0.000 0.211 463 L C 1.835 178.738 176.870 0.055 0.000 1.089 463 L CA 2.010 56.912 54.840 0.104 0.000 0.757 463 L CB -1.193 40.866 42.059 -0.001 0.000 0.899 463 L HN 0.838 nan 8.230 nan 0.000 0.434 464 N N -0.941 117.748 118.700 -0.018 0.000 2.188 464 N HA -0.154 4.586 4.740 -0.001 0.000 0.184 464 N C 1.637 177.107 175.510 -0.066 0.000 1.018 464 N CA 1.065 54.073 53.050 -0.070 0.000 0.858 464 N CB -0.008 38.430 38.487 -0.082 0.000 0.989 464 N HN 0.393 nan 8.380 nan 0.000 0.426 465 E N 0.423 120.580 120.200 -0.072 0.000 2.028 465 E HA -0.157 4.193 4.350 -0.001 0.000 0.191 465 E C 1.670 178.172 176.600 -0.163 0.000 0.988 465 E CA 1.139 57.444 56.400 -0.159 0.000 0.799 465 E CB -0.554 29.001 29.700 -0.241 0.000 0.755 465 E HN 0.484 nan 8.360 nan 0.000 0.447 466 Y N 1.332 121.642 120.300 0.016 0.000 2.193 466 Y HA -0.190 4.360 4.550 -0.001 0.000 0.285 466 Y C 2.579 178.539 175.900 0.099 0.000 1.166 466 Y CA 1.459 59.612 58.100 0.088 0.000 1.181 466 Y CB -0.246 38.255 38.460 0.068 0.000 0.976 466 Y HN 0.012 nan 8.280 nan 0.000 0.520 467 R N 0.039 120.605 120.500 0.109 0.000 2.081 467 R HA -0.167 4.172 4.340 -0.001 0.000 0.235 467 R C 2.174 178.483 176.300 0.015 0.000 1.131 467 R CA 1.640 57.743 56.100 0.005 0.000 0.960 467 R CB -0.264 29.939 30.300 -0.161 0.000 0.856 467 R HN 0.311 nan 8.270 nan 0.000 0.436 468 K N 0.086 120.466 120.400 -0.033 0.000 2.026 468 K HA -0.187 4.133 4.320 -0.001 0.000 0.208 468 K C 2.120 178.682 176.600 -0.063 0.000 1.048 468 K CA 1.356 57.602 56.287 -0.069 0.000 0.929 468 K CB -0.142 32.293 32.500 -0.108 0.000 0.713 468 K HN -0.091 nan 8.250 nan 0.000 0.439 469 R N 0.748 121.223 120.500 -0.042 0.000 2.117 469 R HA -0.126 4.214 4.340 -0.001 0.000 0.243 469 R C 0.676 176.804 176.300 -0.286 0.000 1.143 469 R CA 1.543 57.563 56.100 -0.133 0.000 0.968 469 R CB -0.331 29.941 30.300 -0.046 0.000 0.863 469 R HN 0.076 nan 8.270 nan 0.000 0.444 470 F N 0.695 120.588 119.950 -0.095 0.000 2.916 470 F HA 0.311 4.838 4.527 -0.001 0.000 0.294 470 F C 0.548 176.287 175.800 -0.102 0.000 1.189 470 F CA -0.111 57.816 58.000 -0.121 0.000 1.369 470 F CB -0.020 38.904 39.000 -0.126 0.000 0.961 470 F HN -0.063 nan 8.300 nan 0.000 0.508 471 S N 0.058 115.743 115.700 -0.025 0.000 3.445 471 S HA -0.216 4.253 4.470 -0.001 0.000 0.319 471 S C 0.249 174.854 174.600 0.008 0.000 1.209 471 S CA 0.390 58.583 58.200 -0.011 0.000 0.934 471 S CB -1.978 61.225 63.200 0.005 0.000 0.999 471 S HN 0.327 nan 8.310 nan 0.000 0.582 472 L N 0.482 121.709 121.223 0.006 0.000 2.375 472 L HA 0.486 4.825 4.340 -0.001 0.000 0.268 472 L C 0.492 177.323 176.870 -0.066 0.000 1.058 472 L CA -0.687 54.138 54.840 -0.026 0.000 0.803 472 L CB 0.863 42.893 42.059 -0.048 0.000 1.212 472 L HN 0.033 nan 8.230 nan 0.000 0.451 473 K N 3.176 123.529 120.400 -0.079 0.000 2.234 473 K HA 0.334 4.654 4.320 -0.001 0.000 0.282 473 K C -2.318 174.187 176.600 -0.159 0.000 1.039 473 K CA -1.574 54.664 56.287 -0.081 0.000 0.928 473 K CB 1.146 33.626 32.500 -0.034 0.000 1.039 473 K HN 0.240 nan 8.250 nan 0.000 0.470 474 P HA -0.036 nan 4.420 nan 0.000 0.272 474 P C -0.978 176.257 177.300 -0.109 0.000 1.223 474 P CA -0.117 62.870 63.100 -0.189 0.000 0.784 474 P CB 0.377 32.011 31.700 -0.110 0.000 0.923 475 Y N 0.551 120.810 120.300 -0.068 0.000 2.442 475 Y HA 0.062 4.611 4.550 -0.000 0.000 0.330 475 Y C 1.926 177.772 175.900 -0.090 0.000 1.129 475 Y CA 0.118 58.168 58.100 -0.083 0.000 1.365 475 Y CB -0.188 38.197 38.460 -0.124 0.000 1.233 475 Y HN 0.323 nan 8.280 nan 0.000 0.529 476 T N -1.328 113.304 114.554 0.130 0.000 3.107 476 T HA 0.209 4.558 4.350 -0.001 0.000 0.249 476 T C -0.129 174.590 174.700 0.032 0.000 1.096 476 T CA 0.294 62.426 62.100 0.054 0.000 1.012 476 T CB -0.403 68.495 68.868 0.050 0.000 0.977 476 T HN 0.515 nan 8.240 nan 0.000 0.527 477 S N -0.602 115.098 115.700 -0.000 0.000 2.608 477 S HA 0.421 4.890 4.470 -0.001 0.000 0.285 477 S C -0.126 174.442 174.600 -0.055 0.000 1.108 477 S CA -0.989 57.219 58.200 0.014 0.000 0.858 477 S CB -0.073 63.166 63.200 0.065 0.000 1.077 477 S HN -0.096 nan 8.310 nan 0.000 0.450 478 F N 2.108 122.044 119.950 -0.023 0.000 2.161 478 F HA -0.097 4.430 4.527 -0.000 0.000 0.300 478 F C 2.693 178.437 175.800 -0.093 0.000 1.089 478 F CA 1.834 59.805 58.000 -0.048 0.000 1.282 478 F CB -0.386 38.613 39.000 -0.002 0.000 1.010 478 F HN 0.719 nan 8.300 nan 0.000 0.485 479 E N 0.791 121.077 120.200 0.143 0.000 2.077 479 E HA -0.281 4.069 4.350 -0.001 0.000 0.193 479 E C 1.939 178.499 176.600 -0.067 0.000 0.989 479 E CA 1.563 57.984 56.400 0.035 0.000 0.800 479 E CB -1.001 28.725 29.700 0.042 0.000 0.746 479 E HN 0.647 nan 8.360 nan 0.000 0.452 480 E N 1.022 121.153 120.200 -0.116 0.000 2.106 480 E HA -0.159 4.191 4.350 -0.001 0.000 0.192 480 E C 2.195 178.468 176.600 -0.545 0.000 0.984 480 E CA 0.688 56.949 56.400 -0.232 0.000 0.806 480 E CB -0.100 29.508 29.700 -0.152 0.000 0.750 480 E HN 0.178 nan 8.360 nan 0.000 0.458 481 L N 1.214 122.027 121.223 -0.683 0.000 1.961 481 L HA -0.176 4.164 4.340 -0.001 0.000 0.210 481 L C 2.609 179.218 176.870 -0.435 0.000 1.072 481 L CA 3.096 57.389 54.840 -0.911 0.000 0.749 481 L CB -1.461 40.308 42.059 -0.483 0.000 0.889 481 L HN 0.376 nan 8.230 nan 0.000 0.432 482 T N -2.787 111.638 114.554 -0.215 0.000 2.788 482 T HA 0.079 4.428 4.350 -0.001 0.000 0.268 482 T C 1.631 176.268 174.700 -0.105 0.000 1.044 482 T CA 1.178 63.209 62.100 -0.115 0.000 1.139 482 T CB -0.995 67.844 68.868 -0.047 0.000 0.867 482 T HN 1.136 nan 8.240 nan 0.000 0.454 483 G N 1.432 110.165 108.800 -0.112 0.000 2.132 483 G HA2 -0.074 3.886 3.960 -0.001 0.000 0.234 483 G HA3 -0.074 3.886 3.960 -0.001 0.000 0.234 483 G C -0.179 174.690 174.900 -0.051 0.000 0.989 483 G CA 0.537 45.589 45.100 -0.080 0.000 0.676 483 G HN 1.109 nan 8.290 nan 0.000 0.522 484 E N -2.880 117.294 120.200 -0.044 0.000 2.415 484 E HA 0.768 5.118 4.350 -0.001 0.000 0.271 484 E C 0.212 176.800 176.600 -0.020 0.000 1.094 484 E CA -0.844 55.538 56.400 -0.030 0.000 0.881 484 E CB 0.200 29.881 29.700 -0.031 0.000 1.581 484 E HN 0.042 nan 8.360 nan 0.000 0.460 485 K N -0.623 119.768 120.400 -0.015 0.000 2.412 485 K HA 0.239 4.558 4.320 -0.001 0.000 0.202 485 K C 1.188 177.780 176.600 -0.013 0.000 1.102 485 K CA 0.265 56.546 56.287 -0.009 0.000 1.027 485 K CB 0.413 32.909 32.500 -0.008 0.000 0.931 485 K HN 0.506 nan 8.250 nan 0.000 0.557 486 E N 0.786 120.976 120.200 -0.017 0.000 2.005 486 E HA -0.185 4.165 4.350 -0.001 0.000 0.198 486 E C 1.669 178.258 176.600 -0.018 0.000 1.010 486 E CA 1.815 58.203 56.400 -0.019 0.000 0.825 486 E CB -0.081 29.606 29.700 -0.021 0.000 0.769 486 E HN 0.317 nan 8.360 nan 0.000 0.456 487 M N 0.054 119.647 119.600 -0.012 0.000 2.099 487 M HA -0.146 4.334 4.480 -0.001 0.000 0.262 487 M C 2.456 178.764 176.300 0.014 0.000 1.067 487 M CA 1.394 56.693 55.300 -0.001 0.000 1.124 487 M CB -0.432 32.169 32.600 0.002 0.000 1.353 487 M HN 0.102 nan 8.290 nan 0.000 0.410 488 A N 1.050 123.886 122.820 0.026 0.000 1.863 488 A HA -0.276 4.044 4.320 -0.001 0.000 0.218 488 A C 2.395 179.988 177.584 0.016 0.000 1.233 488 A CA 2.867 54.946 52.037 0.070 0.000 0.655 488 A CB -1.436 17.594 19.000 0.051 0.000 0.839 488 A HN 0.538 nan 8.150 nan 0.000 0.454 489 A N -0.913 121.893 122.820 -0.023 0.000 1.940 489 A HA -0.168 4.151 4.320 -0.001 0.000 0.219 489 A C 1.945 179.455 177.584 -0.123 0.000 1.176 489 A CA 2.385 54.375 52.037 -0.079 0.000 0.631 489 A CB -0.566 18.405 19.000 -0.049 0.000 0.814 489 A HN 0.690 nan 8.150 nan 0.000 0.446 490 E N 0.291 120.444 120.200 -0.078 0.000 2.058 490 E HA -0.171 4.178 4.350 -0.001 0.000 0.194 490 E C 1.761 178.300 176.600 -0.102 0.000 0.997 490 E CA 1.589 57.945 56.400 -0.074 0.000 0.801 490 E CB -0.475 29.203 29.700 -0.036 0.000 0.746 490 E HN 0.586 nan 8.360 nan 0.000 0.450 491 L N 0.141 121.316 121.223 -0.080 0.000 2.056 491 L HA -0.111 4.229 4.340 -0.001 0.000 0.207 491 L C 2.688 179.286 176.870 -0.454 0.000 1.078 491 L CA 1.533 56.354 54.840 -0.032 0.000 0.749 491 L CB -0.405 41.819 42.059 0.276 0.000 0.901 491 L HN 0.150 nan 8.230 nan 0.000 0.433 492 K N 0.289 120.144 120.400 -0.908 0.000 2.044 492 K HA -0.258 4.062 4.320 -0.001 0.000 0.210 492 K C 2.068 178.335 176.600 -0.555 0.000 1.049 492 K CA 1.611 57.140 56.287 -1.263 0.000 0.927 492 K CB -0.180 31.909 32.500 -0.685 0.000 0.713 492 K HN 0.301 nan 8.250 nan 0.000 0.443 493 A N 0.741 123.365 122.820 -0.327 0.000 1.978 493 A HA -0.150 4.170 4.320 -0.001 0.000 0.220 493 A C 2.030 179.498 177.584 -0.194 0.000 1.170 493 A CA 1.476 53.394 52.037 -0.198 0.000 0.636 493 A CB -0.436 18.480 19.000 -0.140 0.000 0.810 493 A HN 0.331 nan 8.150 nan 0.000 0.448 494 L N -3.045 118.037 121.223 -0.235 0.000 2.121 494 L HA -0.025 4.315 4.340 -0.001 0.000 0.200 494 L C 2.342 179.027 176.870 -0.308 0.000 1.077 494 L CA 1.007 55.676 54.840 -0.286 0.000 0.766 494 L CB -0.498 41.347 42.059 -0.357 0.000 0.931 494 L HN 0.428 nan 8.230 nan 0.000 0.452 495 Y N -0.997 119.275 120.300 -0.046 0.000 2.519 495 Y HA -0.041 4.509 4.550 -0.001 0.000 0.287 495 Y C 2.202 178.205 175.900 0.171 0.000 1.128 495 Y CA 0.703 58.897 58.100 0.155 0.000 1.282 495 Y CB 0.151 38.900 38.460 0.481 0.000 1.027 495 Y HN 0.293 nan 8.280 nan 0.000 0.551 496 S N -0.210 115.528 115.700 0.062 0.000 3.953 496 S HA -0.349 4.120 4.470 -0.001 0.000 0.305 496 S C 0.325 175.117 174.600 0.320 0.000 1.776 496 S CA 1.820 60.068 58.200 0.080 0.000 4.019 496 S CB -1.725 61.520 63.200 0.075 0.000 0.665 496 S HN 0.534 nan 8.310 nan 0.000 0.461 497 D N 1.259 121.883 120.400 0.372 0.000 2.249 497 D HA 0.439 5.078 4.640 -0.001 0.000 0.246 497 D C 1.052 177.552 176.300 0.334 0.000 1.114 497 D CA 0.133 54.324 54.000 0.317 0.000 0.854 497 D CB 1.073 41.977 40.800 0.173 0.000 1.132 497 D HN 0.321 nan 8.370 nan 0.000 0.461 498 I N 3.873 124.510 120.570 0.112 0.000 2.208 498 I HA -0.254 3.916 4.170 -0.001 0.000 0.245 498 I C 1.365 177.299 176.117 -0.304 0.000 1.097 498 I CA 1.528 62.503 61.300 -0.541 0.000 1.363 498 I CB -0.207 37.536 38.000 -0.428 0.000 1.051 498 I HN 0.439 nan 8.210 nan 0.000 0.413 499 D N 0.264 120.603 120.400 -0.102 0.000 2.127 499 D HA -0.190 4.450 4.640 -0.001 0.000 0.190 499 D C 2.202 178.474 176.300 -0.048 0.000 1.000 499 D CA 1.999 55.961 54.000 -0.064 0.000 0.839 499 D CB -0.625 40.164 40.800 -0.019 0.000 0.955 499 D HN 0.296 nan 8.370 nan 0.000 0.446 500 V N 1.155 121.084 119.914 0.025 0.000 3.284 500 V HA -0.174 3.945 4.120 -0.001 0.000 0.273 500 V C 1.133 177.252 176.094 0.042 0.000 1.178 500 V CA 0.243 62.595 62.300 0.086 0.000 1.177 500 V CB -0.733 31.194 31.823 0.173 0.000 0.793 500 V HN 0.177 nan 8.190 nan 0.000 0.536 501 M N 1.262 120.768 119.600 -0.156 0.000 2.248 501 M HA 0.138 4.617 4.480 -0.001 0.000 0.345 501 M C 0.323 176.437 176.300 -0.310 0.000 1.243 501 M CA 0.107 55.107 55.300 -0.500 0.000 1.090 501 M CB -0.112 32.154 32.600 -0.557 0.000 1.683 501 M HN 0.295 nan 8.290 nan 0.000 0.450 502 E N 3.734 123.708 120.200 -0.378 0.000 2.354 502 E HA 0.056 4.405 4.350 -0.001 0.000 0.269 502 E C 0.688 177.255 176.600 -0.054 0.000 1.036 502 E CA -0.366 55.979 56.400 -0.091 0.000 0.876 502 E CB 0.862 30.574 29.700 0.019 0.000 1.009 502 E HN 0.807 nan 8.360 nan 0.000 0.416 503 L N 3.923 125.167 121.223 0.034 0.000 1.989 503 L HA -0.259 4.081 4.340 -0.001 0.000 0.211 503 L C 2.148 179.026 176.870 0.014 0.000 1.071 503 L CA 1.854 56.706 54.840 0.020 0.000 0.749 503 L CB -0.557 41.498 42.059 -0.007 0.000 0.890 503 L HN 0.711 nan 8.230 nan 0.000 0.431 504 Y N 0.817 121.048 120.300 -0.114 0.000 2.070 504 Y HA -0.175 4.374 4.550 -0.001 0.000 0.280 504 Y C -0.494 175.376 175.900 -0.049 0.000 1.148 504 Y CA 2.049 60.086 58.100 -0.106 0.000 1.125 504 Y CB -1.963 36.393 38.460 -0.173 0.000 0.975 504 Y HN 0.212 nan 8.280 nan 0.000 0.492 505 P HA -0.254 nan 4.420 nan 0.000 0.214 505 P C 1.613 178.789 177.300 -0.206 0.000 1.163 505 P CA 2.876 65.808 63.100 -0.280 0.000 0.889 505 P CB -0.460 31.214 31.700 -0.043 0.000 0.790 506 A N -0.884 121.860 122.820 -0.127 0.000 1.997 506 A HA -0.224 4.095 4.320 -0.001 0.000 0.221 506 A C 2.208 179.756 177.584 -0.060 0.000 1.172 506 A CA 1.674 53.665 52.037 -0.077 0.000 0.645 506 A CB -1.764 17.206 19.000 -0.050 0.000 0.813 506 A HN 0.135 nan 8.150 nan 0.000 0.454 507 L N -0.991 120.178 121.223 -0.089 0.000 2.046 507 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 507 L C 2.521 179.350 176.870 -0.068 0.000 1.077 507 L CA 1.193 55.996 54.840 -0.062 0.000 0.747 507 L CB -0.435 41.592 42.059 -0.053 0.000 0.896 507 L HN 0.396 nan 8.230 nan 0.000 0.432 508 L N -1.232 119.907 121.223 -0.140 0.000 2.131 508 L HA -0.037 4.303 4.340 -0.001 0.000 0.206 508 L C 1.111 177.928 176.870 -0.088 0.000 1.087 508 L CA 0.323 55.092 54.840 -0.119 0.000 0.767 508 L CB -0.081 41.860 42.059 -0.195 0.000 0.917 508 L HN -0.013 nan 8.230 nan 0.000 0.441 509 V N 1.178 121.039 119.914 -0.087 0.000 2.224 509 V HA 0.155 4.275 4.120 -0.001 0.000 0.289 509 V C -0.043 176.020 176.094 -0.052 0.000 1.518 509 V CA -0.014 62.251 62.300 -0.058 0.000 1.533 509 V CB -0.429 31.373 31.823 -0.036 0.000 1.460 509 V HN 0.251 nan 8.190 nan 0.000 0.515 510 E N 1.892 122.062 120.200 -0.050 0.000 2.314 510 E HA 0.330 4.680 4.350 -0.001 0.000 0.272 510 E C -0.252 176.317 176.600 -0.051 0.000 0.884 510 E CA -0.957 55.415 56.400 -0.046 0.000 0.753 510 E CB 1.620 31.323 29.700 0.004 0.000 1.213 510 E HN 0.345 nan 8.360 nan 0.000 0.432 511 K N 4.950 125.307 120.400 -0.072 0.000 2.367 511 K HA 0.085 4.404 4.320 -0.001 0.000 0.275 511 K C -2.309 174.267 176.600 -0.040 0.000 1.125 511 K CA -0.828 55.422 56.287 -0.062 0.000 1.133 511 K CB 0.123 32.578 32.500 -0.075 0.000 0.875 511 K HN 0.182 nan 8.250 nan 0.000 0.467 512 P HA 0.014 nan 4.420 nan 0.000 0.269 512 P C -0.814 176.457 177.300 -0.048 0.000 1.215 512 P CA 0.004 63.070 63.100 -0.056 0.000 0.780 512 P CB 0.536 32.182 31.700 -0.089 0.000 0.898 513 R N 3.668 124.130 120.500 -0.063 0.000 2.594 513 R HA 0.204 4.544 4.340 -0.001 0.000 0.272 513 R C -1.796 174.493 176.300 -0.018 0.000 1.074 513 R CA -1.240 54.826 56.100 -0.057 0.000 1.105 513 R CB -0.980 29.190 30.300 -0.216 0.000 1.008 513 R HN 0.429 nan 8.270 nan 0.000 0.472 514 P HA -0.346 nan 4.420 nan 0.000 0.265 514 P C -0.266 177.019 177.300 -0.025 0.000 1.233 514 P CA 1.241 64.358 63.100 0.028 0.000 1.267 514 P CB 0.031 31.779 31.700 0.079 0.000 0.691 515 D N -0.125 120.252 120.400 -0.038 0.000 2.856 515 D HA 0.292 4.931 4.640 -0.001 0.000 0.242 515 D C 0.289 176.511 176.300 -0.129 0.000 1.226 515 D CA 0.274 54.225 54.000 -0.081 0.000 0.855 515 D CB -0.398 40.355 40.800 -0.077 0.000 1.065 515 D HN 0.208 nan 8.370 nan 0.000 0.462 516 A N 0.355 123.096 122.820 -0.132 0.000 2.311 516 A HA 0.399 4.718 4.320 -0.001 0.000 0.334 516 A C 0.991 178.403 177.584 -0.288 0.000 1.139 516 A CA -0.698 51.217 52.037 -0.204 0.000 0.830 516 A CB 1.366 20.286 19.000 -0.133 0.000 1.234 516 A HN 0.258 nan 8.150 nan 0.000 0.483 517 I N -0.735 119.546 120.570 -0.482 0.000 2.617 517 I HA 0.118 4.287 4.170 -0.001 0.000 0.256 517 I C -0.575 175.156 176.117 -0.644 0.000 1.167 517 I CA 0.821 61.710 61.300 -0.685 0.000 1.469 517 I CB -0.119 37.238 38.000 -1.073 0.000 1.098 517 I HN 0.515 nan 8.210 nan 0.000 0.436 518 F N -0.506 119.312 119.950 -0.220 0.000 2.654 518 F HA 0.698 5.225 4.527 -0.001 0.000 0.334 518 F C 0.610 176.326 175.800 -0.141 0.000 1.078 518 F CA -0.962 56.928 58.000 -0.184 0.000 0.986 518 F CB 0.428 39.327 39.000 -0.169 0.000 1.362 518 F HN -0.294 nan 8.300 nan 0.000 0.498 519 G N -0.752 108.128 108.800 0.133 0.000 2.511 519 G HA2 0.353 4.312 3.960 -0.001 0.000 0.318 519 G HA3 0.353 4.312 3.960 -0.001 0.000 0.318 519 G C 0.332 175.248 174.900 0.027 0.000 1.210 519 G CA -0.456 44.668 45.100 0.040 0.000 0.969 519 G HN 0.713 nan 8.290 nan 0.000 0.484 520 E N -0.084 120.119 120.200 0.005 0.000 2.136 520 E HA -0.269 4.081 4.350 -0.001 0.000 0.208 520 E C 2.145 178.738 176.600 -0.012 0.000 1.035 520 E CA 2.368 58.768 56.400 0.001 0.000 0.838 520 E CB -0.188 29.526 29.700 0.024 0.000 0.748 520 E HN 0.494 nan 8.360 nan 0.000 0.459 521 T N 1.022 115.572 114.554 -0.008 0.000 2.555 521 T HA -0.258 4.092 4.350 -0.001 0.000 0.264 521 T C 1.826 176.467 174.700 -0.098 0.000 1.083 521 T CA 2.095 64.160 62.100 -0.059 0.000 1.179 521 T CB -0.428 68.418 68.868 -0.037 0.000 0.863 521 T HN 0.271 nan 8.240 nan 0.000 0.412 522 M N 0.826 120.368 119.600 -0.097 0.000 2.108 522 M HA -0.142 4.338 4.480 -0.001 0.000 0.257 522 M C 2.074 178.247 176.300 -0.211 0.000 1.071 522 M CA 1.547 56.730 55.300 -0.195 0.000 1.093 522 M CB -0.552 31.847 32.600 -0.334 0.000 1.345 522 M HN 0.095 nan 8.290 nan 0.000 0.403 523 V N 0.054 119.897 119.914 -0.118 0.000 2.323 523 V HA -0.193 3.927 4.120 -0.001 0.000 0.244 523 V C 2.387 178.463 176.094 -0.029 0.000 1.041 523 V CA 1.802 64.082 62.300 -0.034 0.000 1.025 523 V CB -0.816 31.054 31.823 0.078 0.000 0.656 523 V HN 0.425 nan 8.190 nan 0.000 0.451 524 E N 0.193 120.366 120.200 -0.044 0.000 2.160 524 E HA -0.148 4.201 4.350 -0.001 0.000 0.195 524 E C 2.112 178.593 176.600 -0.198 0.000 0.991 524 E CA 1.143 57.513 56.400 -0.051 0.000 0.810 524 E CB -0.201 29.489 29.700 -0.016 0.000 0.742 524 E HN 0.483 nan 8.360 nan 0.000 0.466 525 L N -1.053 119.930 121.223 -0.400 0.000 2.202 525 L HA 0.116 4.455 4.340 -0.001 0.000 0.205 525 L C 2.283 178.822 176.870 -0.553 0.000 1.083 525 L CA 1.129 55.413 54.840 -0.926 0.000 0.790 525 L CB -0.678 40.926 42.059 -0.757 0.000 0.942 525 L HN 0.132 nan 8.230 nan 0.000 0.452 526 G N -0.210 108.523 108.800 -0.112 0.000 2.426 526 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.214 526 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.214 526 G C 1.808 176.795 174.900 0.146 0.000 1.156 526 G CA 0.673 45.918 45.100 0.242 0.000 0.802 526 G HN 0.355 nan 8.290 nan 0.000 0.534 527 A N 1.799 124.658 122.820 0.065 0.000 1.917 527 A HA -0.011 4.308 4.320 -0.001 0.000 0.219 527 A C 0.673 178.271 177.584 0.023 0.000 1.182 527 A CA 2.148 54.241 52.037 0.093 0.000 0.633 527 A CB -1.213 17.842 19.000 0.092 0.000 0.819 527 A HN 0.382 nan 8.150 nan 0.000 0.448 528 P HA -0.108 nan 4.420 nan 0.000 0.212 528 P C 1.107 178.318 177.300 -0.147 0.000 1.180 528 P CA 1.034 64.058 63.100 -0.126 0.000 0.906 528 P CB -0.257 31.340 31.700 -0.171 0.000 0.782 529 F N -0.207 119.574 119.950 -0.281 0.000 2.115 529 F HA -0.207 4.320 4.527 -0.001 0.000 0.300 529 F C 2.714 178.102 175.800 -0.688 0.000 1.092 529 F CA 1.636 59.224 58.000 -0.687 0.000 1.245 529 F CB -1.791 36.265 39.000 -1.574 0.000 0.995 529 F HN -0.050 nan 8.300 nan 0.000 0.481 530 S N -0.259 115.331 115.700 -0.183 0.000 2.368 530 S HA -0.074 4.396 4.470 -0.001 0.000 0.224 530 S C 2.081 176.776 174.600 0.159 0.000 1.029 530 S CA 0.885 59.234 58.200 0.248 0.000 0.988 530 S CB -0.324 63.216 63.200 0.567 0.000 0.838 530 S HN 0.300 nan 8.310 nan 0.000 0.462 531 L N 0.618 121.904 121.223 0.104 0.000 2.179 531 L HA 0.093 4.433 4.340 -0.001 0.000 0.208 531 L C 2.708 179.638 176.870 0.101 0.000 1.096 531 L CA 0.771 55.671 54.840 0.100 0.000 0.779 531 L CB -0.344 41.770 42.059 0.092 0.000 0.922 531 L HN 0.144 nan 8.230 nan 0.000 0.443 532 K N 0.648 121.090 120.400 0.070 0.000 2.097 532 K HA -0.071 4.249 4.320 -0.001 0.000 0.205 532 K C 1.898 178.519 176.600 0.035 0.000 1.050 532 K CA 1.360 57.694 56.287 0.077 0.000 0.938 532 K CB -0.247 32.247 32.500 -0.010 0.000 0.718 532 K HN 0.345 nan 8.250 nan 0.000 0.442 533 G N 0.193 108.973 108.800 -0.033 0.000 2.712 533 G HA2 -0.099 3.861 3.960 -0.001 0.000 0.212 533 G HA3 -0.099 3.861 3.960 -0.001 0.000 0.212 533 G C 1.360 176.223 174.900 -0.061 0.000 1.142 533 G CA 0.010 45.045 45.100 -0.110 0.000 0.789 533 G HN 0.131 nan 8.290 nan 0.000 0.535 534 L N -0.021 121.214 121.223 0.019 0.000 2.200 534 L HA 0.328 4.668 4.340 -0.001 0.000 0.200 534 L C 2.531 179.433 176.870 0.053 0.000 1.072 534 L CA 1.025 55.881 54.840 0.027 0.000 0.787 534 L CB -0.199 41.885 42.059 0.042 0.000 0.957 534 L HN 0.061 nan 8.230 nan 0.000 0.459 535 M N -1.190 118.467 119.600 0.095 0.000 2.476 535 M HA 0.208 4.688 4.480 -0.001 0.000 0.262 535 M C 1.458 177.898 176.300 0.232 0.000 1.111 535 M CA 0.545 55.894 55.300 0.082 0.000 1.127 535 M CB -1.411 31.119 32.600 -0.117 0.000 1.376 535 M HN 0.248 nan 8.290 nan 0.000 0.465 536 G N 1.837 110.819 108.800 0.303 0.000 3.471 536 G HA2 0.010 3.969 3.960 -0.001 0.000 0.254 536 G HA3 0.010 3.969 3.960 -0.001 0.000 0.254 536 G C 0.056 175.072 174.900 0.193 0.000 1.199 536 G CA -0.202 45.035 45.100 0.228 0.000 1.683 536 G HN 0.317 nan 8.290 nan 0.000 0.625 537 N N 0.425 119.286 118.700 0.267 0.000 2.361 537 N HA 0.301 5.041 4.740 -0.001 0.000 0.302 537 N C -1.487 174.168 175.510 0.242 0.000 1.074 537 N CA -1.940 51.227 53.050 0.194 0.000 0.850 537 N CB 3.283 41.857 38.487 0.144 0.000 1.228 537 N HN -0.143 nan 8.380 nan 0.000 0.491 538 P HA -0.172 nan 4.420 nan 0.000 0.216 538 P C 1.517 178.702 177.300 -0.191 0.000 1.153 538 P CA 1.480 64.443 63.100 -0.228 0.000 0.858 538 P CB -0.092 31.251 31.700 -0.595 0.000 0.789 539 I N -2.794 117.788 120.570 0.020 0.000 2.800 539 I HA -0.141 4.028 4.170 -0.001 0.000 0.266 539 I C 1.815 178.303 176.117 0.619 0.000 1.249 539 I CA 1.446 63.006 61.300 0.434 0.000 1.458 539 I CB -1.436 36.960 38.000 0.660 0.000 1.093 539 I HN -0.130 nan 8.210 nan 0.000 0.466 540 C N 0.932 120.501 119.300 0.449 0.000 2.634 540 C HA 0.215 4.675 4.460 -0.001 0.000 0.268 540 C C 1.748 177.014 174.990 0.460 0.000 1.322 540 C CA 0.242 59.517 59.018 0.428 0.000 1.737 540 C CB -1.453 26.559 27.740 0.452 0.000 1.976 540 C HN 0.707 nan 8.230 nan 0.000 0.547 541 S N 2.156 117.908 115.700 0.087 0.000 2.572 541 S HA 0.126 4.596 4.470 -0.001 0.000 0.279 541 S C -1.690 172.909 174.600 -0.001 0.000 1.341 541 S CA -0.493 57.419 58.200 -0.479 0.000 1.043 541 S CB 0.469 63.398 63.200 -0.453 0.000 0.887 541 S HN 0.125 nan 8.310 nan 0.000 0.516 542 P HA -0.168 nan 4.420 nan 0.000 0.216 542 P C 1.230 178.464 177.300 -0.110 0.000 1.150 542 P CA 1.396 64.267 63.100 -0.381 0.000 0.843 542 P CB -0.069 31.230 31.700 -0.668 0.000 0.787 543 Q N -2.043 117.715 119.800 -0.071 0.000 2.170 543 Q HA -0.178 4.162 4.340 -0.001 0.000 0.203 543 Q C 1.788 177.712 176.000 -0.128 0.000 0.976 543 Q CA 1.576 57.324 55.803 -0.092 0.000 0.858 543 Q CB -1.170 27.521 28.738 -0.078 0.000 0.907 543 Q HN 0.392 nan 8.270 nan 0.000 0.433 544 Y N -1.206 119.089 120.300 -0.009 0.000 2.347 544 Y HA -0.012 4.538 4.550 -0.000 0.000 0.294 544 Y C 0.738 176.714 175.900 0.127 0.000 1.117 544 Y CA 0.020 58.137 58.100 0.027 0.000 1.184 544 Y CB 0.091 38.620 38.460 0.114 0.000 1.047 544 Y HN 0.238 nan 8.280 nan 0.000 0.546 545 W N 5.042 126.480 121.300 0.231 0.000 1.564 545 W HA 0.178 4.838 4.660 -0.001 0.000 0.480 545 W C -0.553 176.038 176.519 0.119 0.000 0.699 545 W CA 0.169 57.717 57.345 0.338 0.000 1.985 545 W CB -0.634 29.147 29.460 0.535 0.000 1.738 545 W HN 0.070 nan 8.180 nan 0.000 0.218 546 K N 2.846 123.018 120.400 -0.380 0.000 2.546 546 K HA 0.352 4.671 4.320 -0.001 0.000 0.264 546 K C -2.628 173.450 176.600 -0.870 0.000 0.937 546 K CA -1.554 54.370 56.287 -0.605 0.000 0.833 546 K CB 1.654 33.977 32.500 -0.295 0.000 1.378 546 K HN -0.243 nan 8.250 nan 0.000 0.432 547 P HA -0.365 nan 4.420 nan 0.000 0.219 547 P C 1.357 178.496 177.300 -0.269 0.000 1.161 547 P CA 2.647 65.372 63.100 -0.624 0.000 0.909 547 P CB 0.017 31.557 31.700 -0.266 0.000 0.793 548 S N -2.253 113.310 115.700 -0.228 0.000 2.419 548 S HA -0.153 4.316 4.470 -0.001 0.000 0.233 548 S C 1.833 176.313 174.600 -0.200 0.000 1.016 548 S CA 1.924 60.046 58.200 -0.130 0.000 0.974 548 S CB -1.991 61.145 63.200 -0.107 0.000 0.786 548 S HN 0.146 nan 8.310 nan 0.000 0.492 549 T N 1.324 115.624 114.554 -0.424 0.000 2.897 549 T HA 0.023 4.373 4.350 -0.001 0.000 0.271 549 T C 0.518 174.809 174.700 -0.682 0.000 1.084 549 T CA 1.195 62.909 62.100 -0.644 0.000 1.123 549 T CB -0.452 67.844 68.868 -0.954 0.000 0.865 549 T HN 0.586 nan 8.240 nan 0.000 0.496 550 F N -0.179 119.774 119.950 0.006 0.000 2.661 550 F HA 0.500 5.027 4.527 -0.000 0.000 0.306 550 F C 1.699 177.629 175.800 0.217 0.000 1.094 550 F CA -0.474 57.598 58.000 0.120 0.000 1.254 550 F CB 0.214 39.305 39.000 0.152 0.000 1.040 550 F HN 0.194 nan 8.300 nan 0.000 0.562 551 G N -0.281 108.732 108.800 0.355 0.000 2.179 551 G HA2 0.216 4.176 3.960 -0.001 0.000 0.220 551 G HA3 0.216 4.176 3.960 -0.001 0.000 0.220 551 G C 0.498 175.591 174.900 0.321 0.000 0.990 551 G CA -0.169 45.210 45.100 0.465 0.000 0.646 551 G HN 1.130 nan 8.290 nan 0.000 0.517 552 G N -1.070 107.857 108.800 0.212 0.000 2.354 552 G HA2 0.397 4.356 3.960 -0.001 0.000 0.582 552 G HA3 0.397 4.356 3.960 -0.001 0.000 0.582 552 G C -0.044 174.941 174.900 0.142 0.000 1.316 552 G CA 0.501 45.681 45.100 0.133 0.000 0.995 552 G HN 0.795 nan 8.290 nan 0.000 0.573 553 E N -0.992 119.274 120.200 0.109 0.000 2.347 553 E HA 0.066 4.415 4.350 -0.001 0.000 0.196 553 E C 2.411 179.101 176.600 0.149 0.000 1.008 553 E CA 1.634 58.129 56.400 0.158 0.000 0.852 553 E CB 0.260 30.023 29.700 0.106 0.000 0.783 553 E HN 0.880 nan 8.360 nan 0.000 0.505 554 V N -0.697 119.278 119.914 0.101 0.000 2.283 554 V HA -0.071 4.049 4.120 -0.001 0.000 0.243 554 V C 1.977 178.140 176.094 0.115 0.000 1.039 554 V CA 2.269 64.612 62.300 0.073 0.000 1.016 554 V CB -0.619 31.215 31.823 0.019 0.000 0.650 554 V HN 0.381 nan 8.190 nan 0.000 0.449 555 G N -1.182 107.719 108.800 0.168 0.000 2.418 555 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.217 555 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.217 555 G C 1.568 176.610 174.900 0.236 0.000 1.158 555 G CA 1.034 46.262 45.100 0.214 0.000 0.771 555 G HN 0.512 nan 8.290 nan 0.000 0.545 556 F N 1.635 121.624 119.950 0.065 0.000 2.126 556 F HA -0.007 4.520 4.527 -0.000 0.000 0.299 556 F C 2.452 178.201 175.800 -0.087 0.000 1.096 556 F CA 1.281 59.245 58.000 -0.059 0.000 1.255 556 F CB -0.191 38.790 39.000 -0.031 0.000 0.997 556 F HN -0.008 nan 8.300 nan 0.000 0.479 557 K N 0.730 121.143 120.400 0.021 0.000 2.057 557 K HA -0.065 4.255 4.320 -0.001 0.000 0.206 557 K C 2.168 178.744 176.600 -0.040 0.000 1.050 557 K CA 1.291 57.535 56.287 -0.073 0.000 0.935 557 K CB -0.811 31.679 32.500 -0.017 0.000 0.715 557 K HN 0.323 nan 8.250 nan 0.000 0.439 558 I N 0.342 120.921 120.570 0.015 0.000 2.300 558 I HA -0.343 3.827 4.170 -0.001 0.000 0.252 558 I C 1.993 178.131 176.117 0.035 0.000 1.119 558 I CA 1.328 62.649 61.300 0.034 0.000 1.384 558 I CB -0.371 37.669 38.000 0.066 0.000 1.062 558 I HN 0.111 nan 8.210 nan 0.000 0.426 559 I N 0.551 121.118 120.570 -0.005 0.000 2.188 559 I HA -0.220 3.950 4.170 -0.001 0.000 0.237 559 I C 1.898 178.056 176.117 0.068 0.000 1.073 559 I CA 1.156 62.478 61.300 0.037 0.000 1.359 559 I CB -0.507 37.468 38.000 -0.042 0.000 1.083 559 I HN 0.238 nan 8.210 nan 0.000 0.412 560 N N 0.817 119.476 118.700 -0.069 0.000 2.635 560 N HA -0.093 4.646 4.740 -0.001 0.000 0.191 560 N C 0.887 176.393 175.510 -0.006 0.000 1.155 560 N CA 1.463 54.483 53.050 -0.051 0.000 0.927 560 N CB -0.150 38.182 38.487 -0.258 0.000 0.976 560 N HN 0.503 nan 8.380 nan 0.000 0.448 561 T N -3.556 111.002 114.554 0.007 0.000 3.337 561 T HA 0.505 4.854 4.350 -0.001 0.000 0.299 561 T C 0.298 175.015 174.700 0.028 0.000 0.998 561 T CA -0.654 61.454 62.100 0.012 0.000 0.948 561 T CB 0.273 69.138 68.868 -0.005 0.000 1.170 561 T HN 0.088 nan 8.240 nan 0.000 0.508 562 A N 1.770 124.625 122.820 0.059 0.000 2.386 562 A HA 0.776 5.096 4.320 -0.001 0.000 0.248 562 A C 0.564 178.174 177.584 0.044 0.000 1.082 562 A CA -0.136 51.941 52.037 0.066 0.000 0.789 562 A CB 0.227 19.301 19.000 0.123 0.000 1.025 562 A HN 1.332 nan 8.150 nan 0.000 0.490 563 S N 0.443 116.153 115.700 0.015 0.000 2.565 563 S HA 0.357 4.827 4.470 -0.001 0.000 0.274 563 S C 0.172 174.731 174.600 -0.068 0.000 1.144 563 S CA -0.107 58.077 58.200 -0.027 0.000 0.849 563 S CB 0.393 63.560 63.200 -0.055 0.000 1.103 563 S HN 1.218 nan 8.310 nan 0.000 0.455 564 I N 1.309 121.795 120.570 -0.140 0.000 2.454 564 I HA -0.033 4.137 4.170 -0.001 0.000 0.254 564 I C 2.334 178.313 176.117 -0.231 0.000 1.156 564 I CA 1.834 63.018 61.300 -0.193 0.000 1.433 564 I CB -0.418 37.265 38.000 -0.529 0.000 1.082 564 I HN 0.896 nan 8.210 nan 0.000 0.432 565 Q N 0.122 119.771 119.800 -0.253 0.000 2.049 565 Q HA -0.117 4.223 4.340 -0.001 0.000 0.198 565 Q C 2.261 178.170 176.000 -0.152 0.000 0.971 565 Q CA 2.319 57.978 55.803 -0.239 0.000 0.833 565 Q CB -0.335 28.267 28.738 -0.227 0.000 0.896 565 Q HN 0.526 nan 8.270 nan 0.000 0.434 566 S N 0.362 115.994 115.700 -0.113 0.000 2.368 566 S HA -0.107 4.363 4.470 -0.001 0.000 0.224 566 S C 1.711 176.246 174.600 -0.108 0.000 1.029 566 S CA 0.950 59.100 58.200 -0.084 0.000 0.988 566 S CB -0.464 62.703 63.200 -0.055 0.000 0.838 566 S HN 0.395 nan 8.310 nan 0.000 0.462 567 L N 1.287 122.431 121.223 -0.132 0.000 2.043 567 L HA -0.111 4.228 4.340 -0.001 0.000 0.212 567 L C 1.830 178.578 176.870 -0.202 0.000 1.075 567 L CA 1.680 56.395 54.840 -0.209 0.000 0.752 567 L CB -0.468 41.440 42.059 -0.252 0.000 0.891 567 L HN 0.184 nan 8.230 nan 0.000 0.432 568 I N -1.971 118.505 120.570 -0.157 0.000 2.339 568 I HA -0.192 3.978 4.170 -0.001 0.000 0.245 568 I C 2.619 178.665 176.117 -0.117 0.000 1.096 568 I CA 1.080 62.294 61.300 -0.143 0.000 1.408 568 I CB -0.802 37.120 38.000 -0.130 0.000 1.092 568 I HN 0.381 nan 8.210 nan 0.000 0.423 569 c N 1.344 119.883 118.600 -0.102 0.000 2.398 569 c HA -0.210 4.359 4.570 -0.001 0.000 0.276 569 c C 2.567 176.616 174.090 -0.069 0.000 1.222 569 c CA 1.452 57.739 56.329 -0.071 0.000 1.746 569 c CB -1.241 41.235 42.510 -0.057 0.000 2.039 569 c HN 0.529 nan 8.230 nan 0.000 0.470 570 N N 0.668 119.320 118.700 -0.080 0.000 2.467 570 N HA 0.016 4.756 4.740 -0.001 0.000 0.184 570 N C 0.730 176.184 175.510 -0.093 0.000 1.106 570 N CA 0.664 53.669 53.050 -0.075 0.000 0.892 570 N CB -0.351 38.096 38.487 -0.067 0.000 0.969 570 N HN 0.678 nan 8.380 nan 0.000 0.454 571 N N -0.233 118.396 118.700 -0.118 0.000 2.143 571 N HA 0.106 4.845 4.740 -0.001 0.000 0.222 571 N C -0.535 174.884 175.510 -0.152 0.000 1.264 571 N CA 0.114 53.080 53.050 -0.141 0.000 0.897 571 N CB 2.004 40.389 38.487 -0.171 0.000 1.092 571 N HN -0.105 nan 8.380 nan 0.000 0.516 572 V N 0.975 120.813 119.914 -0.126 0.000 2.815 572 V HA 0.242 4.362 4.120 -0.001 0.000 0.314 572 V C 1.472 177.515 176.094 -0.085 0.000 1.064 572 V CA -0.735 61.495 62.300 -0.118 0.000 0.952 572 V CB 2.555 34.316 31.823 -0.103 0.000 1.020 572 V HN -0.172 nan 8.190 nan 0.000 0.439 573 K N 2.646 123.002 120.400 -0.075 0.000 2.044 573 K HA -0.172 4.148 4.320 -0.001 0.000 0.224 573 K C 0.886 177.467 176.600 -0.032 0.000 1.056 573 K CA 2.169 58.427 56.287 -0.049 0.000 0.962 573 K CB -0.771 31.710 32.500 -0.031 0.000 0.730 573 K HN 0.987 nan 8.250 nan 0.000 0.453 574 G N -2.527 106.261 108.800 -0.020 0.000 2.705 574 G HA2 0.302 4.261 3.960 -0.001 0.000 0.299 574 G HA3 0.302 4.261 3.960 -0.001 0.000 0.299 574 G C -0.965 173.929 174.900 -0.011 0.000 1.315 574 G CA -0.496 44.598 45.100 -0.009 0.000 1.045 574 G HN 0.328 nan 8.290 nan 0.000 0.517 575 c N 2.015 120.615 118.600 0.001 0.000 2.484 575 c HA 0.324 4.894 4.570 -0.001 0.000 0.494 575 c C -1.988 172.120 174.090 0.029 0.000 1.052 575 c CA -1.344 54.986 56.329 0.001 0.000 1.307 575 c CB -1.284 41.231 42.510 0.008 0.000 1.464 575 c HN 0.349 nan 8.230 nan 0.000 0.564 576 P HA -0.036 nan 4.420 nan 0.000 0.261 576 P C -0.065 177.281 177.300 0.076 0.000 1.203 576 P CA 0.065 63.199 63.100 0.056 0.000 0.767 576 P CB 0.080 31.796 31.700 0.028 0.000 0.785 577 F N 4.864 124.801 119.950 -0.022 0.000 2.563 577 F HA 0.261 4.787 4.527 -0.001 0.000 0.363 577 F C 0.321 176.106 175.800 -0.025 0.000 1.123 577 F CA 0.852 58.835 58.000 -0.028 0.000 1.307 577 F CB 0.352 39.337 39.000 -0.024 0.000 1.115 577 F HN 0.384 nan 8.300 nan 0.000 0.592 578 T N 2.038 115.991 114.554 -1.002 0.000 2.754 578 T HA 0.715 5.064 4.350 -0.001 0.000 0.296 578 T C -0.713 173.393 174.700 -0.991 0.000 1.205 578 T CA -0.565 61.102 62.100 -0.722 0.000 1.009 578 T CB 1.386 70.048 68.868 -0.344 0.000 1.368 578 T HN 0.903 nan 8.240 nan 0.000 0.509 579 S N -1.482 113.892 115.700 -0.542 0.000 2.688 579 S HA 0.450 4.919 4.470 -0.001 0.000 0.266 579 S C -1.541 172.876 174.600 -0.306 0.000 1.061 579 S CA -0.703 57.187 58.200 -0.517 0.000 0.844 579 S CB 0.185 63.199 63.200 -0.312 0.000 1.103 579 S HN 0.521 nan 8.310 nan 0.000 0.471 580 F N 2.083 121.949 119.950 -0.140 0.000 2.692 580 F HA 0.488 5.014 4.527 -0.001 0.000 0.303 580 F C 0.926 176.529 175.800 -0.328 0.000 1.114 580 F CA -0.430 57.454 58.000 -0.194 0.000 1.361 580 F CB -0.175 38.658 39.000 -0.278 0.000 1.063 580 F HN 0.403 nan 8.300 nan 0.000 0.550 581 N N 0.068 118.761 118.700 -0.012 0.000 2.354 581 N HA 0.128 4.867 4.740 -0.001 0.000 0.287 581 N C -0.595 174.962 175.510 0.079 0.000 1.016 581 N CA -0.254 52.827 53.050 0.052 0.000 0.871 581 N CB 2.116 40.677 38.487 0.123 0.000 1.299 581 N HN -0.137 nan 8.380 nan 0.000 0.482 582 V N 5.878 125.832 119.914 0.067 0.000 1.935 582 V HA 0.075 4.195 4.120 -0.001 0.000 0.262 582 V C -0.104 176.033 176.094 0.072 0.000 1.726 582 V CA 0.020 62.365 62.300 0.075 0.000 1.656 582 V CB -1.690 30.165 31.823 0.054 0.000 1.532 582 V HN 0.837 nan 8.190 nan 0.000 0.509 583 Q N 0.000 119.860 119.800 0.100 0.000 2.315 583 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 583 Q CA 0.000 55.853 55.803 0.083 0.000 1.022 583 Q CB 0.000 28.775 28.738 0.061 0.000 1.108 583 Q HN 0.000 nan 8.270 nan 0.000 0.481