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 3ce6_1_B DATA FIRST_RESID 11 DATA SEQUENCE LTPDVRNGID FKIADLSLAD FGRKELRIAE HEMPGLMSLR REYAEVQPLK DATA SEQUENCE GARISGSLHM TVQTAVLIET LTALGAEVRW ASCNIFSTQD HAAAAVVVGP DATA SEQUENCE HGTPDEPKGV PVFAWKGETL EEYWWAAEQM LTWPDPDKPA NMILDDGGDA DATA SEQUENCE TMLVLRGMQY EKAGVVPPAE EDDPAEWKVF LNLLRTRFET DKDKWTKIAE DATA SEQUENCE SVKGVTEETT TGVLRLYQFA AAGDLAFPAI NVNDSVTKSK FDNKYGTRHS DATA SEQUENCE LIDGINRGTD ALIGGKKVLI CGYGDVGKGC AEAMKGQGAR VSVTEIDPIN DATA SEQUENCE ALQAMMEGFD VVTVEEAIGD ADIVVTATGN KDIIMLEHIK AMKDHAILGN DATA SEQUENCE IGHFDNEIDM AGLERSGATR VNVKPQVDLW TFGDTGRSII VLSEGRLLNL DATA SEQUENCE GNATGHPSFV MSNSFANQTI AQIELWTKND EYDNEVYRLP KHLDEKVARI DATA SEQUENCE HVEALGGHLT KLTKEQAEYL GVDVEGPYKP DHYRY 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.654 176.870 -0.361 0.000 1.165 11 L CA 0.000 54.526 54.840 -0.524 0.000 0.813 11 L CB 0.000 41.398 42.059 -1.102 0.000 0.961 12 T N -0.330 114.136 114.554 -0.147 0.000 2.900 12 T HA 0.732 5.105 4.350 0.038 0.000 0.295 12 T C -2.933 171.899 174.700 0.219 0.000 1.044 12 T CA -2.194 59.990 62.100 0.139 0.000 0.995 12 T CB 2.188 71.091 68.868 0.057 0.000 1.072 12 T HN 0.144 nan 8.240 nan 0.000 0.473 13 P HA 0.271 nan 4.420 nan 0.000 0.268 13 P C -0.495 176.782 177.300 -0.039 0.000 1.205 13 P CA -0.235 63.048 63.100 0.304 0.000 0.771 13 P CB 0.372 32.267 31.700 0.326 0.000 0.858 14 D N 0.928 121.122 120.400 -0.343 0.000 2.339 14 D HA 0.242 4.905 4.640 0.038 0.000 0.245 14 D C -0.365 175.578 176.300 -0.594 0.000 1.115 14 D CA 0.222 53.877 54.000 -0.576 0.000 0.917 14 D CB 0.985 41.241 40.800 -0.908 0.000 1.192 14 D HN -0.010 nan 8.370 nan 0.000 0.428 15 V N 2.957 122.701 119.914 -0.284 0.000 2.525 15 V HA 0.392 4.535 4.120 0.038 0.000 0.299 15 V C -0.187 175.948 176.094 0.067 0.000 1.034 15 V CA -0.788 61.471 62.300 -0.070 0.000 0.863 15 V CB 1.915 33.734 31.823 -0.007 0.000 0.999 15 V HN 0.376 nan 8.190 nan 0.000 0.423 16 R N 3.395 124.049 120.500 0.256 0.000 2.575 16 R HA 0.433 4.796 4.340 0.038 0.000 0.293 16 R C 0.149 176.534 176.300 0.142 0.000 0.983 16 R CA -0.947 55.282 56.100 0.215 0.000 0.887 16 R CB 1.317 31.798 30.300 0.302 0.000 1.184 16 R HN 0.797 nan 8.270 nan 0.000 0.445 17 N N 1.158 119.906 118.700 0.080 0.000 2.708 17 N HA -0.250 4.513 4.740 0.038 0.000 0.251 17 N C 0.693 176.235 175.510 0.053 0.000 1.017 17 N CA 1.781 54.862 53.050 0.051 0.000 0.742 17 N CB -0.868 37.639 38.487 0.033 0.000 0.943 17 N HN 1.062 nan 8.380 nan 0.000 0.539 18 G N -1.743 107.093 108.800 0.061 0.000 2.184 18 G HA2 -0.304 3.679 3.960 0.038 0.000 0.264 18 G HA3 -0.304 3.679 3.960 0.038 0.000 0.264 18 G C 0.206 175.147 174.900 0.067 0.000 0.975 18 G CA 0.439 45.571 45.100 0.054 0.000 0.642 18 G HN 0.553 nan 8.290 nan 0.000 0.536 19 I N 2.495 123.126 120.570 0.102 0.000 2.336 19 I HA 0.354 4.547 4.170 0.038 0.000 0.292 19 I C -0.281 175.981 176.117 0.241 0.000 0.991 19 I CA -0.977 60.399 61.300 0.127 0.000 1.227 19 I CB 1.254 39.298 38.000 0.074 0.000 1.366 19 I HN 0.215 nan 8.210 nan 0.000 0.466 20 D N 7.160 127.660 120.400 0.167 0.000 2.175 20 D HA 0.624 5.287 4.640 0.038 0.000 0.248 20 D C -0.592 175.748 176.300 0.067 0.000 1.047 20 D CA -0.240 53.839 54.000 0.131 0.000 0.883 20 D CB 1.889 42.789 40.800 0.166 0.000 1.180 20 D HN 0.387 nan 8.370 nan 0.000 0.438 21 F N -1.999 117.788 119.950 -0.272 0.000 2.842 21 F HA 0.653 5.203 4.527 0.038 0.000 0.319 21 F C -1.867 173.762 175.800 -0.285 0.000 1.159 21 F CA -1.259 56.298 58.000 -0.739 0.000 0.902 21 F CB 1.355 40.094 39.000 -0.436 0.000 1.311 21 F HN 0.281 nan 8.300 nan 0.000 0.453 22 K N 2.423 122.784 120.400 -0.064 0.000 2.656 22 K HA 0.733 5.076 4.320 0.038 0.000 0.253 22 K C -1.663 175.140 176.600 0.339 0.000 1.002 22 K CA -0.268 56.138 56.287 0.198 0.000 0.880 22 K CB 1.389 34.255 32.500 0.609 0.000 1.232 22 K HN 0.952 nan 8.250 nan 0.000 0.456 23 I N -0.338 120.368 120.570 0.227 0.000 3.279 23 I HA 0.738 4.931 4.170 0.038 0.000 0.315 23 I C 0.370 176.517 176.117 0.050 0.000 1.225 23 I CA -1.035 60.413 61.300 0.247 0.000 0.947 23 I CB 1.901 40.038 38.000 0.229 0.000 1.293 23 I HN 0.427 nan 8.210 nan 0.000 0.468 24 A N 0.888 123.779 122.820 0.118 0.000 1.855 24 A HA -0.004 4.339 4.320 0.038 0.000 0.215 24 A C 0.565 178.169 177.584 0.034 0.000 1.191 24 A CA 2.248 54.309 52.037 0.039 0.000 0.613 24 A CB -0.447 18.641 19.000 0.147 0.000 0.829 24 A HN 0.882 nan 8.150 nan 0.000 0.442 25 D N -2.406 118.039 120.400 0.075 0.000 2.419 25 D HA 0.231 4.894 4.640 0.038 0.000 0.219 25 D C 0.054 176.387 176.300 0.056 0.000 1.349 25 D CA -0.567 53.470 54.000 0.063 0.000 0.964 25 D CB 0.505 41.343 40.800 0.063 0.000 1.463 25 D HN -0.068 nan 8.370 nan 0.000 0.573 26 L N 3.200 124.448 121.223 0.041 0.000 2.187 26 L HA -0.082 4.281 4.340 0.038 0.000 0.213 26 L C 2.121 178.990 176.870 -0.001 0.000 1.100 26 L CA 2.326 57.153 54.840 -0.021 0.000 0.765 26 L CB -0.669 41.370 42.059 -0.032 0.000 0.904 26 L HN 0.556 nan 8.230 nan 0.000 0.437 27 S N -1.858 113.860 115.700 0.029 0.000 2.515 27 S HA -0.094 4.399 4.470 0.038 0.000 0.231 27 S C 1.767 176.407 174.600 0.067 0.000 0.987 27 S CA 0.534 58.757 58.200 0.037 0.000 0.936 27 S CB -0.719 62.503 63.200 0.037 0.000 0.766 27 S HN 0.501 nan 8.310 nan 0.000 0.528 28 L N 0.928 122.207 121.223 0.093 0.000 2.622 28 L HA 0.133 4.496 4.340 0.038 0.000 0.233 28 L C 2.792 179.744 176.870 0.137 0.000 1.156 28 L CA 0.483 55.423 54.840 0.166 0.000 0.866 28 L CB -0.787 41.401 42.059 0.214 0.000 0.980 28 L HN 0.433 nan 8.230 nan 0.000 0.448 29 A N 0.262 123.112 122.820 0.050 0.000 1.940 29 A HA -0.236 4.107 4.320 0.038 0.000 0.219 29 A C 1.938 179.535 177.584 0.021 0.000 1.176 29 A CA 1.986 54.020 52.037 -0.004 0.000 0.631 29 A CB -0.329 18.639 19.000 -0.053 0.000 0.814 29 A HN 0.317 nan 8.150 nan 0.000 0.446 30 D N -1.346 119.096 120.400 0.069 0.000 2.117 30 D HA -0.092 4.571 4.640 0.038 0.000 0.198 30 D C 1.575 177.975 176.300 0.166 0.000 0.982 30 D CA 1.093 55.142 54.000 0.082 0.000 0.828 30 D CB -0.361 40.487 40.800 0.080 0.000 0.967 30 D HN 0.427 nan 8.370 nan 0.000 0.464 31 F N 1.421 121.403 119.950 0.053 0.000 2.146 31 F HA 0.039 4.588 4.527 0.037 0.000 0.298 31 F C 2.180 178.074 175.800 0.156 0.000 1.096 31 F CA 1.674 59.735 58.000 0.102 0.000 1.275 31 F CB -0.786 38.279 39.000 0.109 0.000 1.008 31 F HN -0.047 nan 8.300 nan 0.000 0.480 32 G N 0.217 108.969 108.800 -0.081 0.000 2.440 32 G HA2 -0.359 3.624 3.960 0.038 0.000 0.218 32 G HA3 -0.359 3.624 3.960 0.038 0.000 0.218 32 G C 1.791 176.543 174.900 -0.246 0.000 1.154 32 G CA 0.990 45.861 45.100 -0.383 0.000 0.767 32 G HN 0.340 nan 8.290 nan 0.000 0.552 33 R N 0.878 121.312 120.500 -0.109 0.000 2.081 33 R HA 0.018 4.381 4.340 0.038 0.000 0.235 33 R C 2.445 178.719 176.300 -0.043 0.000 1.131 33 R CA 1.690 57.739 56.100 -0.085 0.000 0.960 33 R CB -0.441 29.822 30.300 -0.062 0.000 0.856 33 R HN 0.363 nan 8.270 nan 0.000 0.436 34 K N 0.113 120.523 120.400 0.017 0.000 2.032 34 K HA -0.142 4.201 4.320 0.038 0.000 0.209 34 K C 2.043 178.668 176.600 0.041 0.000 1.048 34 K CA 1.839 58.163 56.287 0.061 0.000 0.927 34 K CB -0.111 32.479 32.500 0.151 0.000 0.712 34 K HN 0.332 nan 8.250 nan 0.000 0.441 35 E N 0.543 120.738 120.200 -0.008 0.000 2.106 35 E HA -0.163 4.210 4.350 0.038 0.000 0.192 35 E C 2.040 178.610 176.600 -0.050 0.000 0.984 35 E CA 0.766 57.152 56.400 -0.023 0.000 0.806 35 E CB -0.032 29.620 29.700 -0.079 0.000 0.750 35 E HN 0.097 nan 8.360 nan 0.000 0.458 36 L N 1.064 122.222 121.223 -0.109 0.000 2.012 36 L HA -0.211 4.152 4.340 0.038 0.000 0.210 36 L C 2.368 179.223 176.870 -0.025 0.000 1.073 36 L CA 1.682 56.468 54.840 -0.090 0.000 0.748 36 L CB -0.502 41.478 42.059 -0.131 0.000 0.891 36 L HN 0.011 nan 8.230 nan 0.000 0.431 37 R N -0.692 119.808 120.500 0.001 0.000 2.081 37 R HA -0.139 4.224 4.340 0.038 0.000 0.235 37 R C 2.313 178.720 176.300 0.178 0.000 1.131 37 R CA 1.487 57.624 56.100 0.062 0.000 0.960 37 R CB -0.541 29.801 30.300 0.069 0.000 0.856 37 R HN 0.331 nan 8.270 nan 0.000 0.436 38 I N 0.635 121.287 120.570 0.136 0.000 2.163 38 I HA -0.284 3.909 4.170 0.038 0.000 0.243 38 I C 2.606 178.825 176.117 0.171 0.000 1.085 38 I CA 1.382 62.774 61.300 0.152 0.000 1.347 38 I CB -0.428 37.624 38.000 0.086 0.000 1.044 38 I HN 0.211 nan 8.210 nan 0.000 0.408 39 A N 0.299 123.178 122.820 0.099 0.000 1.972 39 A HA -0.214 4.129 4.320 0.038 0.000 0.219 39 A C 2.156 179.785 177.584 0.074 0.000 1.169 39 A CA 1.536 53.621 52.037 0.081 0.000 0.635 39 A CB -0.566 18.456 19.000 0.036 0.000 0.810 39 A HN 0.456 nan 8.150 nan 0.000 0.446 40 E N -1.001 119.221 120.200 0.038 0.000 2.160 40 E HA -0.235 4.138 4.350 0.038 0.000 0.195 40 E C 1.689 178.254 176.600 -0.057 0.000 0.991 40 E CA 1.506 57.880 56.400 -0.042 0.000 0.810 40 E CB -0.273 29.357 29.700 -0.117 0.000 0.742 40 E HN 0.842 nan 8.360 nan 0.000 0.466 41 H N -0.008 119.084 119.070 0.037 0.000 2.524 41 H HA 0.028 4.607 4.556 0.038 0.000 0.282 41 H C 1.305 176.694 175.328 0.101 0.000 1.016 41 H CA 0.738 56.819 56.048 0.054 0.000 1.270 41 H CB 0.369 30.160 29.762 0.049 0.000 1.394 41 H HN 0.013 nan 8.280 nan 0.000 0.568 42 E N -0.049 120.286 120.200 0.226 0.000 2.474 42 E HA 0.121 4.494 4.350 0.038 0.000 0.195 42 E C -0.173 176.539 176.600 0.186 0.000 1.039 42 E CA 0.219 56.790 56.400 0.284 0.000 0.881 42 E CB 0.483 30.332 29.700 0.247 0.000 0.970 42 E HN 0.519 nan 8.360 nan 0.000 0.486 43 M N 1.477 121.116 119.600 0.064 0.000 2.746 43 M HA 0.195 4.698 4.480 0.038 0.000 0.209 43 M C -1.986 174.275 176.300 -0.066 0.000 1.077 43 M CA -1.489 53.800 55.300 -0.018 0.000 0.695 43 M CB 1.573 34.183 32.600 0.017 0.000 1.416 43 M HN -0.234 nan 8.290 nan 0.000 0.459 44 P HA -0.028 nan 4.420 nan 0.000 0.225 44 P C 1.394 178.553 177.300 -0.235 0.000 1.156 44 P CA 1.160 64.149 63.100 -0.185 0.000 0.787 44 P CB 0.174 31.745 31.700 -0.216 0.000 0.802 45 G N 0.759 109.398 108.800 -0.269 0.000 2.421 45 G HA2 -0.186 3.797 3.960 0.038 0.000 0.216 45 G HA3 -0.186 3.797 3.960 0.038 0.000 0.216 45 G C 1.644 176.534 174.900 -0.016 0.000 1.171 45 G CA 0.430 45.462 45.100 -0.114 0.000 0.775 45 G HN 0.212 nan 8.290 nan 0.000 0.543 46 L N -0.021 121.206 121.223 0.006 0.000 2.027 46 L HA -0.051 4.312 4.340 0.038 0.000 0.206 46 L C 3.081 179.947 176.870 -0.007 0.000 1.074 46 L CA 0.745 55.596 54.840 0.018 0.000 0.745 46 L CB -0.350 41.727 42.059 0.030 0.000 0.898 46 L HN 0.151 nan 8.230 nan 0.000 0.433 47 M N -0.837 118.742 119.600 -0.034 0.000 2.175 47 M HA -0.160 4.343 4.480 0.038 0.000 0.264 47 M C 2.573 178.856 176.300 -0.029 0.000 1.063 47 M CA 1.457 56.731 55.300 -0.043 0.000 1.119 47 M CB -1.420 31.138 32.600 -0.071 0.000 1.377 47 M HN 0.189 nan 8.290 nan 0.000 0.415 48 S N 0.627 116.304 115.700 -0.038 0.000 2.368 48 S HA -0.064 4.429 4.470 0.038 0.000 0.225 48 S C 2.004 176.619 174.600 0.025 0.000 1.030 48 S CA 0.950 59.136 58.200 -0.023 0.000 0.999 48 S CB -0.125 63.046 63.200 -0.048 0.000 0.844 48 S HN 0.458 nan 8.310 nan 0.000 0.459 49 L N 0.647 121.908 121.223 0.063 0.000 2.093 49 L HA -0.037 4.326 4.340 0.038 0.000 0.208 49 L C 2.908 179.878 176.870 0.167 0.000 1.085 49 L CA 1.208 56.148 54.840 0.168 0.000 0.755 49 L CB -0.451 41.692 42.059 0.140 0.000 0.904 49 L HN 0.260 nan 8.230 nan 0.000 0.435 50 R N -0.229 120.316 120.500 0.075 0.000 2.081 50 R HA -0.134 4.229 4.340 0.038 0.000 0.235 50 R C 2.468 178.802 176.300 0.057 0.000 1.131 50 R CA 1.308 57.443 56.100 0.058 0.000 0.960 50 R CB -0.223 30.084 30.300 0.011 0.000 0.856 50 R HN 0.351 nan 8.270 nan 0.000 0.436 51 R N 0.214 120.731 120.500 0.029 0.000 2.073 51 R HA -0.119 4.244 4.340 0.038 0.000 0.229 51 R C 2.273 178.568 176.300 -0.010 0.000 1.120 51 R CA 1.270 57.373 56.100 0.004 0.000 0.967 51 R CB -0.170 30.122 30.300 -0.012 0.000 0.862 51 R HN 0.335 nan 8.270 nan 0.000 0.436 52 E N -0.033 120.154 120.200 -0.021 0.000 2.150 52 E HA -0.176 4.197 4.350 0.038 0.000 0.193 52 E C 0.646 177.095 176.600 -0.253 0.000 0.985 52 E CA 1.114 57.422 56.400 -0.153 0.000 0.814 52 E CB 0.167 29.741 29.700 -0.210 0.000 0.752 52 E HN 0.390 nan 8.360 nan 0.000 0.466 53 Y N -0.836 119.468 120.300 0.006 0.000 2.507 53 Y HA 0.365 4.938 4.550 0.039 0.000 0.254 53 Y C 1.744 177.650 175.900 0.010 0.000 1.171 53 Y CA 0.137 58.244 58.100 0.012 0.000 1.238 53 Y CB 0.409 38.879 38.460 0.017 0.000 1.148 53 Y HN 0.133 nan 8.280 nan 0.000 0.525 54 A N 0.639 123.524 122.820 0.109 0.000 1.873 54 A HA -0.222 4.121 4.320 0.038 0.000 0.218 54 A C 2.139 179.759 177.584 0.060 0.000 1.193 54 A CA 2.150 54.228 52.037 0.069 0.000 0.629 54 A CB -0.312 18.709 19.000 0.035 0.000 0.826 54 A HN 0.388 nan 8.150 nan 0.000 0.447 55 E N -0.285 119.939 120.200 0.041 0.000 2.072 55 E HA -0.095 4.278 4.350 0.038 0.000 0.191 55 E C 2.157 178.790 176.600 0.054 0.000 0.985 55 E CA 1.299 57.720 56.400 0.034 0.000 0.801 55 E CB -0.625 29.083 29.700 0.014 0.000 0.750 55 E HN 0.417 nan 8.360 nan 0.000 0.452 56 V N 1.042 121.004 119.914 0.080 0.000 2.427 56 V HA -0.183 3.960 4.120 0.038 0.000 0.248 56 V C 0.666 176.833 176.094 0.122 0.000 1.051 56 V CA 0.926 63.292 62.300 0.111 0.000 1.048 56 V CB -0.510 31.418 31.823 0.175 0.000 0.666 56 V HN 0.292 nan 8.190 nan 0.000 0.456 57 Q N -1.804 118.073 119.800 0.129 0.000 2.460 57 Q HA -0.195 4.168 4.340 0.038 0.000 0.311 57 Q C -1.330 174.735 176.000 0.109 0.000 1.396 57 Q CA 1.048 56.909 55.803 0.096 0.000 0.838 57 Q CB -1.746 27.032 28.738 0.068 0.000 1.140 57 Q HN 0.518 nan 8.270 nan 0.000 0.415 58 P HA -0.148 nan 4.420 nan 0.000 0.219 58 P C 1.137 178.543 177.300 0.177 0.000 1.146 58 P CA 1.036 64.215 63.100 0.131 0.000 0.808 58 P CB 0.141 31.849 31.700 0.013 0.000 0.779 59 L N -1.172 120.075 121.223 0.040 0.000 2.628 59 L HA 0.196 4.559 4.340 0.038 0.000 0.229 59 L C 1.304 178.084 176.870 -0.149 0.000 1.137 59 L CA -0.412 54.348 54.840 -0.134 0.000 0.909 59 L CB -0.365 41.548 42.059 -0.243 0.000 1.137 59 L HN -0.099 nan 8.230 nan 0.000 0.470 60 K N 0.980 121.411 120.400 0.051 0.000 2.484 60 K HA 0.138 4.481 4.320 0.038 0.000 0.280 60 K C 1.178 177.875 176.600 0.162 0.000 1.013 60 K CA 1.104 57.431 56.287 0.066 0.000 1.029 60 K CB 0.301 32.862 32.500 0.102 0.000 0.902 60 K HN 0.231 nan 8.250 nan 0.000 0.481 61 G N 1.889 110.714 108.800 0.042 0.000 2.213 61 G HA2 -0.271 3.712 3.960 0.038 0.000 0.236 61 G HA3 -0.271 3.712 3.960 0.038 0.000 0.236 61 G C 0.059 174.853 174.900 -0.175 0.000 0.991 61 G CA 0.012 45.182 45.100 0.116 0.000 0.629 61 G HN 0.929 nan 8.290 nan 0.000 0.517 62 A N 0.331 122.714 122.820 -0.727 0.000 2.388 62 A HA 0.749 5.092 4.320 0.038 0.000 0.257 62 A C 0.633 177.796 177.584 -0.702 0.000 1.095 62 A CA 0.114 51.383 52.037 -1.280 0.000 0.791 62 A CB 0.307 18.362 19.000 -1.575 0.000 1.029 62 A HN 0.462 nan 8.150 nan 0.000 0.489 63 R N 2.475 122.514 120.500 -0.769 0.000 2.443 63 R HA 0.345 4.708 4.340 0.038 0.000 0.287 63 R C -1.346 174.556 176.300 -0.664 0.000 1.425 63 R CA -0.084 55.414 56.100 -1.002 0.000 1.300 63 R CB 0.933 30.232 30.300 -1.669 0.000 1.129 63 R HN 0.700 nan 8.270 nan 0.000 0.577 64 I N 1.490 121.970 120.570 -0.151 0.000 2.325 64 I HA 0.150 4.343 4.170 0.038 0.000 0.291 64 I C 0.261 176.535 176.117 0.260 0.000 1.019 64 I CA -0.158 61.132 61.300 -0.016 0.000 1.302 64 I CB 1.756 39.742 38.000 -0.022 0.000 1.401 64 I HN 0.311 nan 8.210 nan 0.000 0.485 65 S N 4.575 120.356 115.700 0.135 0.000 2.430 65 S HA 0.519 5.012 4.470 0.038 0.000 0.289 65 S C 0.272 174.699 174.600 -0.289 0.000 1.143 65 S CA -0.584 57.662 58.200 0.077 0.000 1.067 65 S CB 1.094 64.384 63.200 0.150 0.000 0.964 65 S HN 0.799 nan 8.310 nan 0.000 0.485 66 G N 1.395 109.777 108.800 -0.697 0.000 2.416 66 G HA2 0.525 4.508 3.960 0.038 0.000 0.324 66 G HA3 0.525 4.508 3.960 0.038 0.000 0.324 66 G C -0.840 173.190 174.900 -1.450 0.000 1.194 66 G CA -0.503 43.687 45.100 -1.517 0.000 0.922 66 G HN 0.557 nan 8.290 nan 0.000 0.467 67 S N 1.679 116.839 115.700 -0.900 0.000 2.718 67 S HA 0.628 5.121 4.470 0.038 0.000 0.294 67 S C -1.224 173.146 174.600 -0.383 0.000 1.157 67 S CA -0.597 57.259 58.200 -0.573 0.000 1.121 67 S CB 0.466 63.466 63.200 -0.333 0.000 1.015 67 S HN 0.927 nan 8.310 nan 0.000 0.479 68 L N 5.383 126.468 121.223 -0.230 0.000 2.787 68 L HA 0.399 4.762 4.340 0.038 0.000 0.260 68 L C -1.019 175.963 176.870 0.185 0.000 0.921 68 L CA -0.191 54.640 54.840 -0.015 0.000 0.984 68 L CB 1.157 43.328 42.059 0.187 0.000 1.519 68 L HN 0.743 nan 8.230 nan 0.000 0.452 69 H N 4.466 123.674 119.070 0.230 0.000 3.204 69 H HA -0.113 4.466 4.556 0.039 0.000 0.278 69 H C 0.447 175.909 175.328 0.224 0.000 0.879 69 H CA 0.727 56.893 56.048 0.197 0.000 1.410 69 H CB 0.270 30.128 29.762 0.161 0.000 1.322 69 H HN 0.647 nan 8.280 nan 0.000 0.544 70 M N 4.630 124.410 119.600 0.300 0.000 3.422 70 M HA 0.067 4.570 4.480 0.038 0.000 0.248 70 M C -0.087 176.287 176.300 0.123 0.000 1.433 70 M CA -0.265 55.154 55.300 0.197 0.000 1.592 70 M CB -0.717 32.008 32.600 0.207 0.000 1.078 70 M HN 0.605 nan 8.290 nan 0.000 0.578 71 T N -1.610 113.014 114.554 0.116 0.000 2.937 71 T HA 0.480 4.853 4.350 0.038 0.000 0.283 71 T C 1.140 175.833 174.700 -0.012 0.000 1.012 71 T CA -0.920 61.228 62.100 0.081 0.000 0.997 71 T CB 0.870 69.819 68.868 0.134 0.000 1.136 71 T HN 0.097 nan 8.240 nan 0.000 0.551 72 V N 1.322 121.206 119.914 -0.049 0.000 2.317 72 V HA -0.232 3.911 4.120 0.038 0.000 0.251 72 V C 2.881 178.959 176.094 -0.027 0.000 1.065 72 V CA 2.159 64.393 62.300 -0.110 0.000 1.049 72 V CB -1.136 30.624 31.823 -0.104 0.000 0.651 72 V HN 0.810 nan 8.190 nan 0.000 0.450 73 Q N -0.401 119.446 119.800 0.078 0.000 2.079 73 Q HA -0.133 4.230 4.340 0.038 0.000 0.200 73 Q C 2.346 178.533 176.000 0.311 0.000 0.974 73 Q CA 2.172 58.093 55.803 0.197 0.000 0.840 73 Q CB -0.863 28.002 28.738 0.213 0.000 0.898 73 Q HN 0.620 nan 8.270 nan 0.000 0.430 74 T N 0.530 115.232 114.554 0.248 0.000 2.867 74 T HA -0.096 4.277 4.350 0.038 0.000 0.268 74 T C 1.816 176.315 174.700 -0.336 0.000 1.057 74 T CA 1.072 63.108 62.100 -0.106 0.000 1.136 74 T CB -0.368 68.471 68.868 -0.048 0.000 0.874 74 T HN 0.406 nan 8.240 nan 0.000 0.466 75 A N 1.013 123.683 122.820 -0.251 0.000 1.933 75 A HA -0.060 4.283 4.320 0.038 0.000 0.218 75 A C 2.533 179.960 177.584 -0.263 0.000 1.175 75 A CA 1.360 53.211 52.037 -0.310 0.000 0.628 75 A CB -0.896 17.959 19.000 -0.242 0.000 0.814 75 A HN 0.383 nan 8.150 nan 0.000 0.444 76 V N -0.263 119.558 119.914 -0.155 0.000 2.453 76 V HA -0.192 3.951 4.120 0.038 0.000 0.247 76 V C 2.455 178.471 176.094 -0.130 0.000 1.048 76 V CA 1.706 63.943 62.300 -0.104 0.000 1.049 76 V CB -0.833 30.975 31.823 -0.025 0.000 0.672 76 V HN 0.608 nan 8.190 nan 0.000 0.457 77 L N 0.344 121.466 121.223 -0.170 0.000 2.012 77 L HA -0.156 4.207 4.340 0.038 0.000 0.210 77 L C 2.204 178.860 176.870 -0.357 0.000 1.073 77 L CA 2.009 56.674 54.840 -0.292 0.000 0.748 77 L CB -0.539 41.133 42.059 -0.644 0.000 0.891 77 L HN 0.215 nan 8.230 nan 0.000 0.431 78 I N -0.446 119.810 120.570 -0.523 0.000 2.226 78 I HA -0.272 3.921 4.170 0.038 0.000 0.245 78 I C 2.287 178.222 176.117 -0.302 0.000 1.100 78 I CA 1.550 62.517 61.300 -0.556 0.000 1.374 78 I CB -0.384 37.140 38.000 -0.793 0.000 1.057 78 I HN 0.388 nan 8.210 nan 0.000 0.413 79 E N -0.085 119.964 120.200 -0.252 0.000 2.358 79 E HA -0.103 4.270 4.350 0.038 0.000 0.195 79 E C 1.990 178.517 176.600 -0.122 0.000 1.010 79 E CA 1.044 57.342 56.400 -0.170 0.000 0.856 79 E CB 0.039 29.642 29.700 -0.162 0.000 0.795 79 E HN 0.479 nan 8.360 nan 0.000 0.504 80 T N 1.434 115.914 114.554 -0.123 0.000 2.812 80 T HA -0.058 4.315 4.350 0.038 0.000 0.264 80 T C 1.974 176.624 174.700 -0.083 0.000 1.042 80 T CA 0.624 62.675 62.100 -0.082 0.000 1.140 80 T CB -0.065 68.764 68.868 -0.065 0.000 0.870 80 T HN 0.094 nan 8.240 nan 0.000 0.445 81 L N 1.370 122.527 121.223 -0.110 0.000 2.046 81 L HA -0.114 4.249 4.340 0.038 0.000 0.208 81 L C 3.116 179.937 176.870 -0.082 0.000 1.077 81 L CA 1.700 56.482 54.840 -0.097 0.000 0.747 81 L CB -1.230 40.781 42.059 -0.080 0.000 0.896 81 L HN 0.449 nan 8.230 nan 0.000 0.432 82 T N -2.629 111.877 114.554 -0.079 0.000 2.867 82 T HA -0.074 4.299 4.350 0.038 0.000 0.268 82 T C 1.932 176.608 174.700 -0.040 0.000 1.057 82 T CA 0.817 62.884 62.100 -0.054 0.000 1.136 82 T CB -0.348 68.487 68.868 -0.054 0.000 0.874 82 T HN 0.292 nan 8.240 nan 0.000 0.466 83 A N 1.384 124.179 122.820 -0.041 0.000 2.019 83 A HA 0.234 4.577 4.320 0.038 0.000 0.219 83 A C 2.217 179.799 177.584 -0.002 0.000 1.164 83 A CA 0.981 53.008 52.037 -0.017 0.000 0.644 83 A CB -0.723 18.267 19.000 -0.017 0.000 0.805 83 A HN 0.598 nan 8.150 nan 0.000 0.449 84 L N -1.936 119.276 121.223 -0.018 0.000 2.607 84 L HA 0.287 4.650 4.340 0.038 0.000 0.228 84 L C 1.532 178.390 176.870 -0.020 0.000 1.123 84 L CA 0.527 55.362 54.840 -0.008 0.000 0.890 84 L CB 0.137 42.171 42.059 -0.041 0.000 1.103 84 L HN 0.557 nan 8.230 nan 0.000 0.468 85 G N -0.150 108.633 108.800 -0.029 0.000 2.211 85 G HA2 -0.195 3.788 3.960 0.038 0.000 0.201 85 G HA3 -0.195 3.788 3.960 0.038 0.000 0.201 85 G C 0.371 175.231 174.900 -0.067 0.000 0.997 85 G CA -0.126 44.958 45.100 -0.027 0.000 0.652 85 G HN 0.408 nan 8.290 nan 0.000 0.500 86 A N 0.069 122.826 122.820 -0.106 0.000 2.332 86 A HA 0.697 5.040 4.320 0.038 0.000 0.258 86 A C 0.285 177.839 177.584 -0.049 0.000 1.087 86 A CA 0.110 52.056 52.037 -0.152 0.000 0.802 86 A CB 0.447 19.347 19.000 -0.167 0.000 1.042 86 A HN 0.411 nan 8.150 nan 0.000 0.489 87 E N -0.601 119.591 120.200 -0.012 0.000 2.231 87 E HA 0.486 4.859 4.350 0.038 0.000 0.277 87 E C -0.598 176.203 176.600 0.335 0.000 0.999 87 E CA -0.604 55.901 56.400 0.175 0.000 0.827 87 E CB 1.841 31.718 29.700 0.295 0.000 1.101 87 E HN 0.632 nan 8.360 nan 0.000 0.393 88 V N 0.112 120.241 119.914 0.358 0.000 3.040 88 V HA 0.706 4.849 4.120 0.038 0.000 0.312 88 V C -0.981 175.202 176.094 0.149 0.000 1.115 88 V CA -0.965 61.572 62.300 0.394 0.000 0.998 88 V CB 2.085 34.105 31.823 0.328 0.000 1.042 88 V HN 0.625 nan 8.190 nan 0.000 0.433 89 R N 2.620 123.189 120.500 0.114 0.000 2.575 89 R HA 0.529 4.892 4.340 0.038 0.000 0.293 89 R C -1.601 174.807 176.300 0.180 0.000 0.983 89 R CA -0.420 55.653 56.100 -0.045 0.000 0.887 89 R CB 2.357 32.377 30.300 -0.467 0.000 1.184 89 R HN 0.881 nan 8.270 nan 0.000 0.445 90 W N 1.363 122.671 121.300 0.013 0.000 2.781 90 W HA 0.745 5.427 4.660 0.037 0.000 0.345 90 W C -1.275 175.290 176.519 0.077 0.000 1.085 90 W CA -0.474 56.878 57.345 0.011 0.000 1.198 90 W CB 2.373 31.814 29.460 -0.032 0.000 1.423 90 W HN 0.649 nan 8.180 nan 0.000 0.532 91 A N 1.914 124.671 122.820 -0.105 0.000 2.572 91 A HA 0.509 4.852 4.320 0.038 0.000 0.295 91 A C -0.994 176.557 177.584 -0.055 0.000 1.072 91 A CA -0.458 51.568 52.037 -0.018 0.000 0.691 91 A CB 1.731 20.614 19.000 -0.195 0.000 1.291 91 A HN 0.377 nan 8.150 nan 0.000 0.404 92 S N -0.818 114.891 115.700 0.014 0.000 2.603 92 S HA 0.275 4.768 4.470 0.038 0.000 0.268 92 S C 1.082 175.660 174.600 -0.037 0.000 1.317 92 S CA 0.089 58.320 58.200 0.051 0.000 1.012 92 S CB 0.253 63.521 63.200 0.113 0.000 0.926 92 S HN 1.724 nan 8.310 nan 0.000 0.539 93 C N 3.074 122.349 119.300 -0.041 0.000 2.614 93 C HA 0.531 5.014 4.460 0.038 0.000 0.299 93 C C 0.354 175.420 174.990 0.127 0.000 1.293 93 C CA -0.940 58.107 59.018 0.048 0.000 1.713 93 C CB -2.110 25.556 27.740 -0.123 0.000 1.890 93 C HN 0.720 nan 8.230 nan 0.000 0.602 94 N N 0.725 119.540 118.700 0.192 0.000 2.446 94 N HA 0.269 5.032 4.740 0.038 0.000 0.272 94 N C 0.560 176.042 175.510 -0.047 0.000 1.127 94 N CA -0.398 52.651 53.050 -0.001 0.000 0.896 94 N CB 1.543 40.088 38.487 0.097 0.000 1.658 94 N HN 0.342 nan 8.380 nan 0.000 0.483 95 I N -0.985 119.385 120.570 -0.335 0.000 2.700 95 I HA 0.010 4.204 4.170 0.038 0.000 0.261 95 I C 0.130 176.071 176.117 -0.294 0.000 1.219 95 I CA 1.140 62.203 61.300 -0.395 0.000 1.463 95 I CB -0.286 37.303 38.000 -0.684 0.000 1.092 95 I HN 0.211 nan 8.210 nan 0.000 0.452 96 F N 1.095 121.054 119.950 0.016 0.000 2.706 96 F HA 0.224 4.770 4.527 0.032 0.000 0.313 96 F C 2.301 178.130 175.800 0.049 0.000 1.096 96 F CA -0.233 57.786 58.000 0.032 0.000 1.219 96 F CB -0.287 38.727 39.000 0.023 0.000 1.051 96 F HN 0.118 nan 8.300 nan 0.000 0.568 97 S N -2.088 113.736 115.700 0.207 0.000 2.503 97 S HA 0.045 4.538 4.470 0.038 0.000 0.217 97 S C 0.975 175.682 174.600 0.179 0.000 0.999 97 S CA 0.044 58.338 58.200 0.157 0.000 0.914 97 S CB -0.760 62.538 63.200 0.162 0.000 0.782 97 S HN 0.075 nan 8.310 nan 0.000 0.520 98 T N 3.292 117.963 114.554 0.195 0.000 2.928 98 T HA 0.134 4.507 4.350 0.038 0.000 0.305 98 T C -0.296 174.520 174.700 0.192 0.000 1.035 98 T CA 0.363 62.578 62.100 0.193 0.000 1.145 98 T CB 0.480 69.466 68.868 0.198 0.000 0.963 98 T HN 0.417 nan 8.240 nan 0.000 0.545 99 Q N 2.270 122.179 119.800 0.181 0.000 2.400 99 Q HA 0.178 4.541 4.340 0.038 0.000 0.255 99 Q C 0.361 176.512 176.000 0.252 0.000 1.008 99 Q CA -0.661 55.280 55.803 0.231 0.000 0.841 99 Q CB 1.121 30.008 28.738 0.248 0.000 1.220 99 Q HN 0.548 nan 8.270 nan 0.000 0.474 100 D N 1.331 121.894 120.400 0.272 0.000 2.144 100 D HA -0.211 4.452 4.640 0.038 0.000 0.199 100 D C 1.727 178.154 176.300 0.213 0.000 0.984 100 D CA 1.369 55.509 54.000 0.234 0.000 0.834 100 D CB 0.121 41.055 40.800 0.225 0.000 0.955 100 D HN 0.679 nan 8.370 nan 0.000 0.465 101 H N 0.827 119.901 119.070 0.006 0.000 2.387 101 H HA 0.075 4.654 4.556 0.038 0.000 0.299 101 H C 1.822 177.072 175.328 -0.130 0.000 1.090 101 H CA 1.562 57.559 56.048 -0.084 0.000 1.332 101 H CB -0.691 28.900 29.762 -0.286 0.000 1.386 101 H HN 0.075 nan 8.280 nan 0.000 0.516 102 A N 1.686 124.219 122.820 -0.479 0.000 1.929 102 A HA 0.176 4.519 4.320 0.038 0.000 0.216 102 A C 2.802 180.262 177.584 -0.208 0.000 1.176 102 A CA 1.668 53.452 52.037 -0.423 0.000 0.628 102 A CB -0.961 17.825 19.000 -0.357 0.000 0.816 102 A HN 0.629 nan 8.150 nan 0.000 0.444 103 A N 0.115 122.884 122.820 -0.086 0.000 1.908 103 A HA 0.112 4.455 4.320 0.038 0.000 0.218 103 A C 2.490 180.017 177.584 -0.095 0.000 1.181 103 A CA 2.185 54.197 52.037 -0.041 0.000 0.627 103 A CB -0.988 18.060 19.000 0.079 0.000 0.818 103 A HN 1.021 nan 8.150 nan 0.000 0.445 104 A N -0.372 122.404 122.820 -0.074 0.000 1.898 104 A HA 0.232 4.575 4.320 0.038 0.000 0.216 104 A C 2.475 179.965 177.584 -0.156 0.000 1.181 104 A CA 1.888 53.859 52.037 -0.110 0.000 0.620 104 A CB -0.922 18.057 19.000 -0.034 0.000 0.819 104 A HN 1.051 nan 8.150 nan 0.000 0.442 105 A N -0.588 122.136 122.820 -0.160 0.000 1.969 105 A HA 0.054 4.397 4.320 0.038 0.000 0.218 105 A C 2.180 179.648 177.584 -0.193 0.000 1.169 105 A CA 1.632 53.565 52.037 -0.173 0.000 0.635 105 A CB -0.739 18.140 19.000 -0.202 0.000 0.810 105 A HN 0.344 nan 8.150 nan 0.000 0.445 106 V N -0.422 119.366 119.914 -0.210 0.000 2.358 106 V HA -0.206 3.937 4.120 0.038 0.000 0.246 106 V C 2.564 178.526 176.094 -0.220 0.000 1.047 106 V CA 1.915 64.081 62.300 -0.223 0.000 1.035 106 V CB -0.647 31.025 31.823 -0.252 0.000 0.658 106 V HN 0.374 nan 8.190 nan 0.000 0.452 107 V N -0.342 119.419 119.914 -0.255 0.000 2.343 107 V HA -0.200 3.943 4.120 0.038 0.000 0.247 107 V C 2.348 178.270 176.094 -0.286 0.000 1.051 107 V CA 1.874 63.970 62.300 -0.339 0.000 1.036 107 V CB -0.349 31.117 31.823 -0.595 0.000 0.654 107 V HN 0.417 nan 8.190 nan 0.000 0.451 108 V N -0.609 119.160 119.914 -0.241 0.000 2.591 108 V HA 0.293 4.436 4.120 0.038 0.000 0.249 108 V C 1.279 177.291 176.094 -0.137 0.000 1.053 108 V CA 1.072 63.266 62.300 -0.177 0.000 1.068 108 V CB -0.960 30.776 31.823 -0.145 0.000 0.689 108 V HN 0.790 nan 8.190 nan 0.000 0.462 109 G N 0.601 109.311 108.800 -0.151 0.000 2.829 109 G HA2 -0.155 3.828 3.960 0.038 0.000 0.628 109 G HA3 -0.155 3.828 3.960 0.038 0.000 0.628 109 G C -1.640 173.161 174.900 -0.165 0.000 1.412 109 G CA -0.098 44.915 45.100 -0.144 0.000 0.864 109 G HN 0.221 nan 8.290 nan 0.000 0.544 110 P HA 0.024 nan 4.420 nan 0.000 0.229 110 P C 0.710 177.687 177.300 -0.537 0.000 1.160 110 P CA 1.389 64.254 63.100 -0.392 0.000 0.777 110 P CB 0.105 31.512 31.700 -0.489 0.000 0.814 111 H N -1.458 117.587 119.070 -0.042 0.000 2.784 111 H HA 0.369 4.949 4.556 0.039 0.000 0.273 111 H C 1.201 176.510 175.328 -0.032 0.000 1.112 111 H CA -0.022 56.007 56.048 -0.031 0.000 1.162 111 H CB 0.562 30.309 29.762 -0.025 0.000 1.586 111 H HN 0.079 nan 8.280 nan 0.000 0.548 112 G N 0.761 109.572 108.800 0.017 0.000 2.537 112 G HA2 0.441 4.424 3.960 0.038 0.000 0.297 112 G HA3 0.441 4.424 3.960 0.038 0.000 0.297 112 G C 0.025 174.916 174.900 -0.016 0.000 1.310 112 G CA -0.171 44.927 45.100 -0.003 0.000 1.027 112 G HN 0.226 nan 8.290 nan 0.000 0.505 113 T N -3.201 111.340 114.554 -0.022 0.000 2.887 113 T HA 0.556 4.929 4.350 0.038 0.000 0.292 113 T C -2.281 172.397 174.700 -0.038 0.000 1.087 113 T CA -1.464 60.623 62.100 -0.022 0.000 1.009 113 T CB 2.162 71.027 68.868 -0.005 0.000 1.203 113 T HN 0.117 nan 8.240 nan 0.000 0.518 114 P HA -0.043 nan 4.420 nan 0.000 0.216 114 P C 0.789 178.077 177.300 -0.020 0.000 1.150 114 P CA 1.083 64.159 63.100 -0.039 0.000 0.837 114 P CB 0.011 31.702 31.700 -0.016 0.000 0.786 115 D N -1.160 119.237 120.400 -0.005 0.000 2.194 115 D HA -0.078 4.585 4.640 0.038 0.000 0.204 115 D C 0.783 177.086 176.300 0.005 0.000 0.964 115 D CA 1.100 55.104 54.000 0.007 0.000 0.846 115 D CB -0.142 40.664 40.800 0.010 0.000 0.962 115 D HN 0.210 nan 8.370 nan 0.000 0.490 116 E N 0.817 121.014 120.200 -0.005 0.000 3.167 116 E HA 0.209 4.582 4.350 0.038 0.000 0.212 116 E C -2.667 173.920 176.600 -0.021 0.000 1.143 116 E CA -2.341 54.056 56.400 -0.005 0.000 1.002 116 E CB 1.042 30.744 29.700 0.003 0.000 1.315 116 E HN -0.059 nan 8.360 nan 0.000 0.422 117 P HA 0.205 nan 4.420 nan 0.000 0.278 117 P C -0.419 176.845 177.300 -0.059 0.000 1.238 117 P CA -0.292 62.759 63.100 -0.082 0.000 0.794 117 P CB 1.271 32.877 31.700 -0.156 0.000 0.955 118 K N 1.097 121.458 120.400 -0.066 0.000 2.619 118 K HA 0.277 4.620 4.320 0.038 0.000 0.201 118 K C 0.927 177.493 176.600 -0.056 0.000 1.090 118 K CA -0.223 56.042 56.287 -0.038 0.000 1.063 118 K CB 1.140 33.637 32.500 -0.005 0.000 0.810 118 K HN 0.557 nan 8.250 nan 0.000 0.506 119 G N 0.883 109.626 108.800 -0.095 0.000 3.075 119 G HA2 0.477 4.460 3.960 0.038 0.000 0.156 119 G HA3 0.477 4.460 3.960 0.038 0.000 0.156 119 G C -0.258 174.582 174.900 -0.099 0.000 1.403 119 G CA -0.166 44.865 45.100 -0.114 0.000 1.033 119 G HN 0.024 nan 8.290 nan 0.000 0.589 120 V N -3.438 116.403 119.914 -0.121 0.000 3.102 120 V HA 0.724 4.867 4.120 0.038 0.000 0.312 120 V C -3.002 173.027 176.094 -0.109 0.000 1.135 120 V CA -2.630 59.617 62.300 -0.089 0.000 1.022 120 V CB 1.900 33.687 31.823 -0.060 0.000 1.056 120 V HN 0.409 nan 8.190 nan 0.000 0.436 121 P HA 0.380 nan 4.420 nan 0.000 0.271 121 P C -0.908 176.302 177.300 -0.151 0.000 1.233 121 P CA 0.198 63.217 63.100 -0.134 0.000 0.764 121 P CB 0.876 32.557 31.700 -0.031 0.000 0.825 122 V N 5.228 124.944 119.914 -0.331 0.000 2.588 122 V HA 0.444 4.587 4.120 0.038 0.000 0.304 122 V C -0.600 175.240 176.094 -0.424 0.000 1.042 122 V CA -0.378 61.833 62.300 -0.148 0.000 0.877 122 V CB 1.537 33.335 31.823 -0.041 0.000 0.996 122 V HN 0.300 nan 8.190 nan 0.000 0.425 123 F N 3.297 123.370 119.950 0.204 0.000 2.443 123 F HA 0.835 5.384 4.527 0.037 0.000 0.369 123 F C 0.309 176.268 175.800 0.266 0.000 1.090 123 F CA -0.419 57.751 58.000 0.282 0.000 1.129 123 F CB 1.639 40.689 39.000 0.083 0.000 1.367 123 F HN 0.608 nan 8.300 nan 0.000 0.465 124 A N 3.091 126.226 122.820 0.525 0.000 2.547 124 A HA 0.668 5.011 4.320 0.038 0.000 0.300 124 A C -1.908 176.013 177.584 0.562 0.000 1.061 124 A CA -0.837 51.388 52.037 0.313 0.000 0.808 124 A CB 0.315 19.454 19.000 0.232 0.000 1.304 124 A HN 0.780 nan 8.150 nan 0.000 0.393 125 W N 1.437 122.850 121.300 0.188 0.000 3.075 125 W HA 0.765 5.449 4.660 0.040 0.000 0.334 125 W C -0.730 175.904 176.519 0.192 0.000 1.243 125 W CA -0.939 56.510 57.345 0.173 0.000 1.170 125 W CB 1.107 30.662 29.460 0.160 0.000 1.452 125 W HN 0.709 nan 8.180 nan 0.000 0.572 126 K N 1.441 122.067 120.400 0.377 0.000 2.276 126 K HA 0.465 4.808 4.320 0.038 0.000 0.283 126 K C 0.713 177.534 176.600 0.367 0.000 1.044 126 K CA 0.618 57.082 56.287 0.296 0.000 0.944 126 K CB 0.456 33.117 32.500 0.269 0.000 1.012 126 K HN 1.330 nan 8.250 nan 0.000 0.472 127 G N 3.032 112.061 108.800 0.383 0.000 2.207 127 G HA2 -0.207 3.776 3.960 0.038 0.000 0.216 127 G HA3 -0.207 3.776 3.960 0.038 0.000 0.216 127 G C -0.481 174.593 174.900 0.289 0.000 1.053 127 G CA -0.224 45.156 45.100 0.466 0.000 0.764 127 G HN 0.696 nan 8.290 nan 0.000 0.495 128 E N 0.771 120.944 120.200 -0.045 0.000 2.404 128 E HA 0.434 4.807 4.350 0.038 0.000 0.261 128 E C 1.398 178.014 176.600 0.028 0.000 1.074 128 E CA 0.457 56.767 56.400 -0.150 0.000 0.917 128 E CB 0.597 30.025 29.700 -0.453 0.000 0.965 128 E HN 0.494 nan 8.360 nan 0.000 0.433 129 T N -0.940 113.686 114.554 0.120 0.000 2.816 129 T HA 0.167 4.540 4.350 0.038 0.000 0.282 129 T C 1.397 176.156 174.700 0.099 0.000 0.993 129 T CA -0.670 61.499 62.100 0.115 0.000 0.994 129 T CB 0.472 69.433 68.868 0.155 0.000 1.025 129 T HN 0.403 nan 8.240 nan 0.000 0.529 130 L N 0.134 121.427 121.223 0.116 0.000 2.042 130 L HA -0.122 4.241 4.340 0.038 0.000 0.210 130 L C 2.934 180.017 176.870 0.355 0.000 1.076 130 L CA 1.646 56.609 54.840 0.204 0.000 0.749 130 L CB -0.770 41.411 42.059 0.203 0.000 0.893 130 L HN 0.705 nan 8.230 nan 0.000 0.432 131 E N 0.266 120.632 120.200 0.276 0.000 2.077 131 E HA -0.213 4.160 4.350 0.038 0.000 0.193 131 E C 2.110 178.911 176.600 0.335 0.000 0.989 131 E CA 1.199 57.776 56.400 0.295 0.000 0.800 131 E CB -0.122 29.693 29.700 0.192 0.000 0.746 131 E HN 0.459 nan 8.360 nan 0.000 0.452 132 E N -0.644 119.717 120.200 0.268 0.000 2.150 132 E HA -0.186 4.187 4.350 0.038 0.000 0.193 132 E C 1.750 178.487 176.600 0.228 0.000 0.985 132 E CA 0.731 57.308 56.400 0.294 0.000 0.814 132 E CB -0.172 29.701 29.700 0.288 0.000 0.752 132 E HN 0.323 nan 8.360 nan 0.000 0.466 133 Y N -0.294 119.985 120.300 -0.036 0.000 2.145 133 Y HA -0.256 4.320 4.550 0.043 0.000 0.286 133 Y C 1.531 177.288 175.900 -0.238 0.000 1.145 133 Y CA 1.674 59.630 58.100 -0.240 0.000 1.148 133 Y CB -0.319 37.923 38.460 -0.364 0.000 0.981 133 Y HN 0.061 nan 8.280 nan 0.000 0.507 134 W N -1.369 120.066 121.300 0.224 0.000 2.418 134 W HA -0.105 4.576 4.660 0.036 0.000 0.292 134 W C 2.243 178.806 176.519 0.075 0.000 1.213 134 W CA 0.909 58.334 57.345 0.134 0.000 1.283 134 W CB -1.020 28.575 29.460 0.225 0.000 1.119 134 W HN 0.277 nan 8.180 nan 0.000 0.542 135 W N 1.301 122.701 121.300 0.168 0.000 2.338 135 W HA -0.273 4.409 4.660 0.037 0.000 0.304 135 W C 2.315 178.817 176.519 -0.028 0.000 1.212 135 W CA 3.151 60.548 57.345 0.087 0.000 1.264 135 W CB -0.684 28.851 29.460 0.125 0.000 1.142 135 W HN -0.138 nan 8.180 nan 0.000 0.512 136 A N 0.453 123.319 122.820 0.077 0.000 1.930 136 A HA 0.011 4.354 4.320 0.038 0.000 0.217 136 A C 2.081 179.401 177.584 -0.440 0.000 1.175 136 A CA 2.260 54.162 52.037 -0.226 0.000 0.627 136 A CB -1.467 17.554 19.000 0.034 0.000 0.815 136 A HN 0.421 nan 8.150 nan 0.000 0.443 137 A N -0.367 122.186 122.820 -0.445 0.000 1.930 137 A HA -0.156 4.187 4.320 0.038 0.000 0.217 137 A C 1.997 179.451 177.584 -0.216 0.000 1.175 137 A CA 1.753 53.552 52.037 -0.396 0.000 0.627 137 A CB -0.459 18.276 19.000 -0.443 0.000 0.815 137 A HN 0.662 nan 8.150 nan 0.000 0.443 138 E N -0.687 119.418 120.200 -0.160 0.000 2.072 138 E HA -0.207 4.166 4.350 0.038 0.000 0.191 138 E C 2.114 178.489 176.600 -0.374 0.000 0.985 138 E CA 1.000 57.350 56.400 -0.082 0.000 0.801 138 E CB -0.094 29.600 29.700 -0.010 0.000 0.750 138 E HN 0.548 nan 8.360 nan 0.000 0.452 139 Q N 0.290 119.617 119.800 -0.789 0.000 2.045 139 Q HA -0.230 4.133 4.340 0.038 0.000 0.206 139 Q C 2.184 177.621 176.000 -0.938 0.000 0.991 139 Q CA 1.543 56.630 55.803 -1.195 0.000 0.851 139 Q CB -0.554 26.827 28.738 -2.261 0.000 0.911 139 Q HN 0.432 nan 8.270 nan 0.000 0.418 140 M N 0.159 119.342 119.600 -0.695 0.000 2.213 140 M HA -0.123 4.380 4.480 0.038 0.000 0.263 140 M C 1.637 177.799 176.300 -0.229 0.000 1.062 140 M CA 1.373 56.466 55.300 -0.346 0.000 1.105 140 M CB -0.272 32.191 32.600 -0.227 0.000 1.385 140 M HN 0.175 nan 8.290 nan 0.000 0.417 141 L N -0.100 121.044 121.223 -0.132 0.000 2.509 141 L HA 0.030 4.393 4.340 0.038 0.000 0.222 141 L C 0.228 177.162 176.870 0.107 0.000 1.123 141 L CA 0.263 55.152 54.840 0.082 0.000 0.856 141 L CB -0.020 42.188 42.059 0.249 0.000 0.985 141 L HN 0.104 nan 8.230 nan 0.000 0.456 142 T N -0.085 114.407 114.554 -0.103 0.000 3.029 142 T HA 0.172 4.545 4.350 0.038 0.000 0.346 142 T C -0.655 173.979 174.700 -0.111 0.000 1.211 142 T CA -0.467 61.567 62.100 -0.110 0.000 1.009 142 T CB -0.066 68.668 68.868 -0.224 0.000 1.084 142 T HN 0.018 nan 8.240 nan 0.000 0.536 143 W N 4.204 125.434 121.300 -0.117 0.000 2.150 143 W HA 0.276 4.959 4.660 0.038 0.000 0.341 143 W C -0.944 175.533 176.519 -0.070 0.000 1.276 143 W CA -1.767 55.532 57.345 -0.076 0.000 1.238 143 W CB 0.271 29.692 29.460 -0.064 0.000 1.128 143 W HN 0.386 nan 8.180 nan 0.000 0.581 144 P HA -0.121 nan 4.420 nan 0.000 0.220 144 P C 0.045 177.386 177.300 0.067 0.000 1.152 144 P CA 1.181 64.313 63.100 0.054 0.000 0.812 144 P CB 0.271 31.996 31.700 0.041 0.000 0.792 145 D N 0.617 121.082 120.400 0.107 0.000 2.316 145 D HA 0.121 4.784 4.640 0.038 0.000 0.245 145 D C -1.648 174.677 176.300 0.043 0.000 1.171 145 D CA -2.412 51.627 54.000 0.064 0.000 0.856 145 D CB 1.241 42.080 40.800 0.065 0.000 1.090 145 D HN -0.092 nan 8.370 nan 0.000 0.476 146 P HA -0.079 nan 4.420 nan 0.000 0.220 146 P C 0.282 177.572 177.300 -0.016 0.000 1.144 146 P CA 0.875 63.967 63.100 -0.014 0.000 0.800 146 P CB 0.392 32.078 31.700 -0.024 0.000 0.772 147 D N -1.425 118.971 120.400 -0.007 0.000 2.349 147 D HA 0.060 4.723 4.640 0.038 0.000 0.214 147 D C 0.468 176.756 176.300 -0.020 0.000 1.063 147 D CA 0.512 54.504 54.000 -0.013 0.000 0.847 147 D CB 0.190 40.985 40.800 -0.008 0.000 0.933 147 D HN 0.223 nan 8.370 nan 0.000 0.513 148 K N 1.514 121.904 120.400 -0.016 0.000 2.877 148 K HA 0.266 4.609 4.320 0.038 0.000 0.176 148 K C -2.649 173.897 176.600 -0.091 0.000 1.075 148 K CA -1.417 54.838 56.287 -0.054 0.000 0.939 148 K CB 2.101 34.581 32.500 -0.034 0.000 1.237 148 K HN -0.019 nan 8.250 nan 0.000 0.607 149 P HA 0.020 nan 4.420 nan 0.000 0.277 149 P C -0.251 176.809 177.300 -0.400 0.000 1.276 149 P CA -0.483 62.545 63.100 -0.118 0.000 0.788 149 P CB 0.479 32.130 31.700 -0.080 0.000 1.114 150 A N 1.526 124.078 122.820 -0.447 0.000 2.587 150 A HA -0.006 4.337 4.320 0.038 0.000 0.233 150 A C 0.894 178.224 177.584 -0.424 0.000 1.049 150 A CA 0.532 52.179 52.037 -0.650 0.000 0.754 150 A CB -0.870 18.044 19.000 -0.143 0.000 0.977 150 A HN 0.749 nan 8.150 nan 0.000 0.509 151 N N 0.512 118.931 118.700 -0.470 0.000 2.159 151 N HA 0.209 4.972 4.740 0.038 0.000 0.217 151 N C -0.454 174.935 175.510 -0.202 0.000 1.223 151 N CA -0.000 52.901 53.050 -0.248 0.000 0.896 151 N CB 0.432 38.857 38.487 -0.102 0.000 1.064 151 N HN 0.472 nan 8.380 nan 0.000 0.518 152 M N 0.465 119.890 119.600 -0.293 0.000 2.569 152 M HA 0.460 4.963 4.480 0.038 0.000 0.279 152 M C -1.432 174.718 176.300 -0.251 0.000 1.253 152 M CA -0.407 54.740 55.300 -0.256 0.000 0.867 152 M CB 2.517 34.974 32.600 -0.238 0.000 1.727 152 M HN -0.138 nan 8.290 nan 0.000 0.467 153 I N 1.848 122.263 120.570 -0.258 0.000 2.569 153 I HA 0.574 4.767 4.170 0.038 0.000 0.296 153 I C -1.148 174.864 176.117 -0.176 0.000 1.028 153 I CA -0.880 60.294 61.300 -0.210 0.000 1.082 153 I CB 2.826 40.701 38.000 -0.209 0.000 1.264 153 I HN 0.547 nan 8.210 nan 0.000 0.429 154 L N 5.277 126.377 121.223 -0.206 0.000 2.377 154 L HA 0.553 4.916 4.340 0.038 0.000 0.270 154 L C -1.615 175.121 176.870 -0.223 0.000 0.991 154 L CA -0.188 54.547 54.840 -0.175 0.000 0.851 154 L CB 1.047 43.021 42.059 -0.143 0.000 1.218 154 L HN 0.498 nan 8.230 nan 0.000 0.420 155 D N 2.645 122.965 120.400 -0.133 0.000 2.457 155 D HA 0.374 5.037 4.640 0.038 0.000 0.240 155 D C -1.628 174.615 176.300 -0.096 0.000 1.041 155 D CA -0.076 53.848 54.000 -0.127 0.000 0.861 155 D CB 2.543 43.304 40.800 -0.064 0.000 1.394 155 D HN 0.457 nan 8.370 nan 0.000 0.473 156 D N 0.954 121.280 120.400 -0.123 0.000 2.421 156 D HA 0.472 5.135 4.640 0.038 0.000 0.254 156 D C 0.711 176.843 176.300 -0.280 0.000 1.238 156 D CA -0.157 53.758 54.000 -0.141 0.000 0.919 156 D CB 0.410 41.151 40.800 -0.097 0.000 1.152 156 D HN 0.559 nan 8.370 nan 0.000 0.552 157 G N 2.166 110.709 108.800 -0.427 0.000 2.218 157 G HA2 -0.049 3.934 3.960 0.038 0.000 0.216 157 G HA3 -0.049 3.934 3.960 0.038 0.000 0.216 157 G C 1.091 175.904 174.900 -0.146 0.000 0.994 157 G CA 0.419 45.088 45.100 -0.718 0.000 0.637 157 G HN 1.597 nan 8.290 nan 0.000 0.505 158 G N -0.293 108.487 108.800 -0.032 0.000 2.162 158 G HA2 -0.278 3.705 3.960 0.038 0.000 0.260 158 G HA3 -0.278 3.705 3.960 0.038 0.000 0.260 158 G C 0.733 175.758 174.900 0.209 0.000 0.976 158 G CA 1.165 46.328 45.100 0.106 0.000 0.655 158 G HN 0.634 nan 8.290 nan 0.000 0.533 159 D N 0.366 120.903 120.400 0.228 0.000 2.144 159 D HA 0.134 4.797 4.640 0.038 0.000 0.200 159 D C 2.674 179.156 176.300 0.305 0.000 0.978 159 D CA 1.616 55.834 54.000 0.363 0.000 0.833 159 D CB -0.485 40.525 40.800 0.351 0.000 0.961 159 D HN 0.663 nan 8.370 nan 0.000 0.470 160 A N 0.176 123.075 122.820 0.131 0.000 1.877 160 A HA -0.153 4.190 4.320 0.038 0.000 0.216 160 A C 2.353 180.010 177.584 0.120 0.000 1.186 160 A CA 2.089 54.172 52.037 0.078 0.000 0.620 160 A CB -0.907 18.063 19.000 -0.050 0.000 0.822 160 A HN 0.212 nan 8.150 nan 0.000 0.443 161 T N -0.267 114.366 114.554 0.132 0.000 2.708 161 T HA -0.183 4.190 4.350 0.038 0.000 0.266 161 T C 1.951 176.725 174.700 0.123 0.000 1.037 161 T CA 1.664 63.855 62.100 0.151 0.000 1.146 161 T CB -0.319 68.652 68.868 0.171 0.000 0.865 161 T HN 0.485 nan 8.240 nan 0.000 0.435 162 M N 0.438 120.188 119.600 0.249 0.000 2.082 162 M HA -0.116 4.387 4.480 0.038 0.000 0.258 162 M C 2.151 178.597 176.300 0.243 0.000 1.069 162 M CA 1.584 57.075 55.300 0.317 0.000 1.102 162 M CB -0.257 32.521 32.600 0.296 0.000 1.336 162 M HN 0.211 nan 8.290 nan 0.000 0.404 163 L N -0.141 121.226 121.223 0.240 0.000 2.017 163 L HA -0.143 4.220 4.340 0.038 0.000 0.208 163 L C 2.126 178.729 176.870 -0.444 0.000 1.073 163 L CA 1.550 56.362 54.840 -0.046 0.000 0.745 163 L CB -0.660 41.380 42.059 -0.031 0.000 0.894 163 L HN 0.166 nan 8.230 nan 0.000 0.432 164 V N -0.401 119.405 119.914 -0.180 0.000 2.261 164 V HA -0.316 3.827 4.120 0.038 0.000 0.246 164 V C 2.492 178.547 176.094 -0.066 0.000 1.047 164 V CA 2.213 64.505 62.300 -0.013 0.000 1.015 164 V CB -0.568 31.378 31.823 0.206 0.000 0.642 164 V HN 0.417 nan 8.190 nan 0.000 0.446 165 L N -0.909 120.231 121.223 -0.137 0.000 2.109 165 L HA -0.064 4.299 4.340 0.038 0.000 0.207 165 L C 2.850 179.589 176.870 -0.218 0.000 1.086 165 L CA 1.087 55.765 54.840 -0.270 0.000 0.760 165 L CB -0.567 41.056 42.059 -0.727 0.000 0.910 165 L HN 0.216 nan 8.230 nan 0.000 0.437 166 R N 0.292 120.698 120.500 -0.157 0.000 2.092 166 R HA -0.070 4.293 4.340 0.038 0.000 0.231 166 R C 2.258 178.221 176.300 -0.563 0.000 1.119 166 R CA 1.343 57.251 56.100 -0.320 0.000 0.970 166 R CB -1.072 29.231 30.300 0.005 0.000 0.864 166 R HN 0.394 nan 8.270 nan 0.000 0.440 167 G N 1.008 109.543 108.800 -0.442 0.000 2.418 167 G HA2 -0.289 3.694 3.960 0.038 0.000 0.217 167 G HA3 -0.289 3.694 3.960 0.038 0.000 0.217 167 G C 1.516 176.388 174.900 -0.046 0.000 1.158 167 G CA 0.761 45.589 45.100 -0.455 0.000 0.771 167 G HN 0.288 nan 8.290 nan 0.000 0.545 168 M N -0.008 119.586 119.600 -0.010 0.000 2.200 168 M HA 0.006 4.509 4.480 0.038 0.000 0.265 168 M C 2.579 178.847 176.300 -0.053 0.000 1.066 168 M CA 1.795 57.129 55.300 0.057 0.000 1.127 168 M CB -0.116 32.514 32.600 0.050 0.000 1.379 168 M HN 0.391 nan 8.290 nan 0.000 0.420 169 Q N -0.477 119.204 119.800 -0.200 0.000 2.046 169 Q HA -0.206 4.157 4.340 0.038 0.000 0.200 169 Q C 1.593 177.509 176.000 -0.141 0.000 0.975 169 Q CA 1.873 57.548 55.803 -0.213 0.000 0.836 169 Q CB -0.263 28.275 28.738 -0.334 0.000 0.896 169 Q HN 0.629 nan 8.270 nan 0.000 0.428 170 Y N 1.210 121.449 120.300 -0.101 0.000 2.242 170 Y HA -0.103 4.470 4.550 0.037 0.000 0.291 170 Y C 2.099 177.786 175.900 -0.355 0.000 1.137 170 Y CA 1.173 59.142 58.100 -0.217 0.000 1.181 170 Y CB -0.523 37.772 38.460 -0.276 0.000 0.989 170 Y HN 0.250 nan 8.280 nan 0.000 0.527 171 E N 0.406 120.533 120.200 -0.122 0.000 2.058 171 E HA -0.221 4.152 4.350 0.038 0.000 0.194 171 E C 2.026 178.646 176.600 0.033 0.000 0.997 171 E CA 1.565 57.929 56.400 -0.060 0.000 0.801 171 E CB -0.179 29.629 29.700 0.180 0.000 0.746 171 E HN 0.446 nan 8.360 nan 0.000 0.450 172 K N 0.113 120.532 120.400 0.032 0.000 2.148 172 K HA -0.023 4.320 4.320 0.038 0.000 0.204 172 K C 2.000 178.624 176.600 0.040 0.000 1.050 172 K CA 0.862 57.176 56.287 0.045 0.000 0.942 172 K CB 0.047 32.563 32.500 0.028 0.000 0.724 172 K HN 0.042 nan 8.250 nan 0.000 0.446 173 A N 0.483 123.318 122.820 0.024 0.000 2.119 173 A HA 0.098 4.441 4.320 0.038 0.000 0.216 173 A C 1.577 179.179 177.584 0.029 0.000 1.152 173 A CA 1.058 53.114 52.037 0.033 0.000 0.708 173 A CB -0.445 18.589 19.000 0.056 0.000 0.805 173 A HN 0.415 nan 8.150 nan 0.000 0.460 174 G N -2.169 106.640 108.800 0.015 0.000 2.148 174 G HA2 -0.076 3.907 3.960 0.038 0.000 0.254 174 G HA3 -0.076 3.907 3.960 0.038 0.000 0.254 174 G C 0.168 175.094 174.900 0.043 0.000 0.981 174 G CA 0.602 45.768 45.100 0.111 0.000 0.670 174 G HN 1.648 nan 8.290 nan 0.000 0.528 175 V N -0.488 119.312 119.914 -0.189 0.000 2.950 175 V HA 0.526 4.669 4.120 0.038 0.000 0.295 175 V C -0.433 175.476 176.094 -0.307 0.000 1.297 175 V CA -0.471 61.721 62.300 -0.180 0.000 0.962 175 V CB 2.264 34.068 31.823 -0.033 0.000 1.081 175 V HN 0.654 nan 8.190 nan 0.000 0.432 176 V N 8.782 128.474 119.914 -0.371 0.000 2.408 176 V HA 0.380 4.523 4.120 0.038 0.000 0.267 176 V C -1.832 173.997 176.094 -0.442 0.000 1.047 176 V CA -1.295 60.655 62.300 -0.583 0.000 0.937 176 V CB 1.116 32.636 31.823 -0.505 0.000 0.999 176 V HN 0.831 nan 8.190 nan 0.000 0.472 177 P HA 0.145 nan 4.420 nan 0.000 0.267 177 P C -2.462 174.720 177.300 -0.196 0.000 1.200 177 P CA -0.967 61.983 63.100 -0.250 0.000 0.772 177 P CB -0.206 31.397 31.700 -0.162 0.000 0.855 178 P HA 0.109 nan 4.420 nan 0.000 0.272 178 P C -0.488 176.803 177.300 -0.015 0.000 1.230 178 P CA -0.048 63.013 63.100 -0.065 0.000 0.788 178 P CB 0.509 32.191 31.700 -0.030 0.000 0.949 179 A N 1.927 124.744 122.820 -0.005 0.000 2.279 179 A HA 0.322 4.665 4.320 0.038 0.000 0.303 179 A C 0.404 178.040 177.584 0.087 0.000 1.108 179 A CA -0.569 51.527 52.037 0.097 0.000 0.830 179 A CB 0.160 19.207 19.000 0.079 0.000 1.106 179 A HN 0.502 nan 8.150 nan 0.000 0.493 180 E N 0.746 121.016 120.200 0.116 0.000 2.366 180 E HA 0.056 4.429 4.350 0.038 0.000 0.266 180 E C 0.859 177.494 176.600 0.059 0.000 1.051 180 E CA 0.094 56.532 56.400 0.064 0.000 0.884 180 E CB 0.690 30.418 29.700 0.046 0.000 1.006 180 E HN 0.798 nan 8.360 nan 0.000 0.417 181 E N 1.591 121.812 120.200 0.036 0.000 2.147 181 E HA -0.257 4.116 4.350 0.038 0.000 0.199 181 E C 0.626 177.245 176.600 0.033 0.000 1.005 181 E CA 1.644 58.063 56.400 0.032 0.000 0.810 181 E CB -0.079 29.633 29.700 0.021 0.000 0.736 181 E HN 0.419 nan 8.360 nan 0.000 0.460 182 D N 0.785 121.200 120.400 0.026 0.000 2.340 182 D HA 0.020 4.683 4.640 0.038 0.000 0.217 182 D C -0.241 176.068 176.300 0.015 0.000 1.081 182 D CA -0.265 53.744 54.000 0.015 0.000 0.842 182 D CB -0.218 40.581 40.800 -0.001 0.000 0.934 182 D HN -0.087 nan 8.370 nan 0.000 0.511 183 D N 2.231 122.659 120.400 0.046 0.000 2.423 183 D HA 0.131 4.794 4.640 0.038 0.000 0.238 183 D C -2.058 174.290 176.300 0.080 0.000 1.142 183 D CA -0.932 53.111 54.000 0.071 0.000 0.884 183 D CB 0.557 41.496 40.800 0.232 0.000 1.199 183 D HN 0.089 nan 8.370 nan 0.000 0.438 184 P HA 0.060 nan 4.420 nan 0.000 0.269 184 P C 0.178 177.550 177.300 0.121 0.000 1.209 184 P CA -0.201 62.937 63.100 0.063 0.000 0.776 184 P CB 0.610 32.326 31.700 0.026 0.000 0.876 185 A N 2.579 125.452 122.820 0.088 0.000 1.927 185 A HA -0.290 4.053 4.320 0.038 0.000 0.220 185 A C 2.129 179.782 177.584 0.114 0.000 1.185 185 A CA 2.205 54.297 52.037 0.092 0.000 0.639 185 A CB -1.315 17.733 19.000 0.080 0.000 0.820 185 A HN 0.698 nan 8.150 nan 0.000 0.451 186 E N -1.489 118.790 120.200 0.130 0.000 2.150 186 E HA -0.185 4.188 4.350 0.038 0.000 0.193 186 E C 1.883 178.572 176.600 0.149 0.000 0.985 186 E CA 0.781 57.282 56.400 0.169 0.000 0.814 186 E CB -0.270 29.539 29.700 0.181 0.000 0.752 186 E HN 0.836 nan 8.360 nan 0.000 0.466 187 W N 1.690 122.963 121.300 -0.045 0.000 2.358 187 W HA -0.200 4.482 4.660 0.037 0.000 0.303 187 W C 1.570 178.083 176.519 -0.009 0.000 1.208 187 W CA 1.247 58.554 57.345 -0.063 0.000 1.274 187 W CB 0.071 29.486 29.460 -0.076 0.000 1.138 187 W HN 0.008 nan 8.180 nan 0.000 0.515 188 K N -0.006 120.400 120.400 0.009 0.000 2.057 188 K HA -0.188 4.155 4.320 0.038 0.000 0.207 188 K C 1.786 178.300 176.600 -0.143 0.000 1.049 188 K CA 1.791 58.026 56.287 -0.087 0.000 0.931 188 K CB -0.710 31.795 32.500 0.009 0.000 0.714 188 K HN 0.034 nan 8.250 nan 0.000 0.440 189 V N 1.153 121.023 119.914 -0.073 0.000 2.295 189 V HA -0.243 3.900 4.120 0.038 0.000 0.246 189 V C 1.983 177.931 176.094 -0.244 0.000 1.049 189 V CA 1.705 63.971 62.300 -0.056 0.000 1.024 189 V CB -0.503 31.386 31.823 0.109 0.000 0.648 189 V HN 0.212 nan 8.190 nan 0.000 0.447 190 F N 0.375 119.932 119.950 -0.654 0.000 2.065 190 F HA -0.229 4.322 4.527 0.040 0.000 0.298 190 F C 2.112 177.474 175.800 -0.730 0.000 1.112 190 F CA 1.887 59.300 58.000 -0.977 0.000 1.212 190 F CB -0.276 38.025 39.000 -1.164 0.000 0.975 190 F HN 0.006 nan 8.300 nan 0.000 0.476 191 L N -0.037 120.758 121.223 -0.712 0.000 2.093 191 L HA -0.236 4.127 4.340 0.038 0.000 0.208 191 L C 2.202 178.801 176.870 -0.452 0.000 1.085 191 L CA 1.090 55.519 54.840 -0.686 0.000 0.755 191 L CB -0.888 40.772 42.059 -0.666 0.000 0.904 191 L HN 0.186 nan 8.230 nan 0.000 0.435 192 N N 0.455 118.963 118.700 -0.320 0.000 2.104 192 N HA -0.223 4.540 4.740 0.038 0.000 0.190 192 N C 1.839 177.261 175.510 -0.146 0.000 1.024 192 N CA 1.242 54.187 53.050 -0.175 0.000 0.853 192 N CB -0.347 38.082 38.487 -0.097 0.000 1.008 192 N HN 0.280 nan 8.380 nan 0.000 0.424 193 L N 0.456 121.559 121.223 -0.200 0.000 2.027 193 L HA -0.061 4.302 4.340 0.038 0.000 0.206 193 L C 2.013 178.820 176.870 -0.104 0.000 1.074 193 L CA 1.054 55.827 54.840 -0.111 0.000 0.745 193 L CB -0.174 41.808 42.059 -0.129 0.000 0.898 193 L HN 0.101 nan 8.230 nan 0.000 0.433 194 L N -0.699 120.355 121.223 -0.282 0.000 2.027 194 L HA -0.182 4.181 4.340 0.038 0.000 0.206 194 L C 2.828 179.688 176.870 -0.016 0.000 1.074 194 L CA 1.245 55.984 54.840 -0.168 0.000 0.745 194 L CB -0.491 41.332 42.059 -0.393 0.000 0.898 194 L HN 0.258 nan 8.230 nan 0.000 0.433 195 R N -0.418 120.018 120.500 -0.106 0.000 2.081 195 R HA -0.157 4.206 4.340 0.038 0.000 0.235 195 R C 2.252 178.597 176.300 0.074 0.000 1.131 195 R CA 2.051 58.139 56.100 -0.019 0.000 0.960 195 R CB -0.219 30.025 30.300 -0.093 0.000 0.856 195 R HN 0.284 nan 8.270 nan 0.000 0.436 196 T N 0.238 114.812 114.554 0.033 0.000 2.708 196 T HA -0.158 4.215 4.350 0.038 0.000 0.266 196 T C 1.711 176.458 174.700 0.078 0.000 1.037 196 T CA 1.582 63.711 62.100 0.049 0.000 1.146 196 T CB -0.245 68.646 68.868 0.038 0.000 0.865 196 T HN 0.190 nan 8.240 nan 0.000 0.435 197 R N 0.755 121.327 120.500 0.119 0.000 2.092 197 R HA 0.050 4.413 4.340 0.038 0.000 0.231 197 R C 1.854 178.242 176.300 0.146 0.000 1.119 197 R CA 1.100 57.277 56.100 0.129 0.000 0.970 197 R CB -1.094 29.333 30.300 0.212 0.000 0.864 197 R HN 0.386 nan 8.270 nan 0.000 0.440 198 F N 1.632 121.613 119.950 0.053 0.000 2.365 198 F HA -0.003 4.548 4.527 0.039 0.000 0.300 198 F C 1.419 177.227 175.800 0.015 0.000 1.090 198 F CA 1.273 59.301 58.000 0.046 0.000 1.408 198 F CB 0.006 39.039 39.000 0.056 0.000 1.060 198 F HN 0.170 nan 8.300 nan 0.000 0.534 199 E N -0.835 119.340 120.200 -0.043 0.000 2.110 199 E HA -0.198 4.175 4.350 0.038 0.000 0.193 199 E C 1.811 178.316 176.600 -0.159 0.000 0.988 199 E CA 1.858 58.191 56.400 -0.110 0.000 0.804 199 E CB -0.248 29.434 29.700 -0.029 0.000 0.745 199 E HN 0.497 nan 8.360 nan 0.000 0.458 200 T N -2.838 111.644 114.554 -0.120 0.000 3.003 200 T HA 0.075 4.448 4.350 0.038 0.000 0.261 200 T C 0.005 174.632 174.700 -0.121 0.000 1.003 200 T CA -0.360 61.677 62.100 -0.105 0.000 0.917 200 T CB 0.667 69.499 68.868 -0.059 0.000 1.084 200 T HN -0.133 nan 8.240 nan 0.000 0.522 201 D N 0.431 120.749 120.400 -0.137 0.000 2.616 201 D HA 0.312 4.975 4.640 0.038 0.000 0.238 201 D C 0.328 176.571 176.300 -0.096 0.000 1.354 201 D CA -0.476 53.453 54.000 -0.118 0.000 0.970 201 D CB 1.794 42.524 40.800 -0.116 0.000 1.369 201 D HN -0.210 nan 8.370 nan 0.000 0.585 202 K N 1.559 121.891 120.400 -0.114 0.000 2.361 202 K HA 0.072 4.415 4.320 0.038 0.000 0.196 202 K C 0.420 177.142 176.600 0.203 0.000 1.039 202 K CA 0.505 56.771 56.287 -0.034 0.000 1.001 202 K CB 0.622 33.055 32.500 -0.113 0.000 0.795 202 K HN 0.505 nan 8.250 nan 0.000 0.495 203 D N -0.653 119.794 120.400 0.079 0.000 2.636 203 D HA 0.012 4.675 4.640 0.038 0.000 0.270 203 D C 1.084 177.376 176.300 -0.013 0.000 1.430 203 D CA -0.253 53.795 54.000 0.079 0.000 0.796 203 D CB 0.128 40.963 40.800 0.058 0.000 1.117 203 D HN -0.084 nan 8.370 nan 0.000 0.480 204 K N 0.390 120.713 120.400 -0.130 0.000 2.009 204 K HA -0.160 4.183 4.320 0.038 0.000 0.210 204 K C 1.046 177.441 176.600 -0.342 0.000 1.049 204 K CA 1.547 57.618 56.287 -0.361 0.000 0.929 204 K CB -0.183 31.901 32.500 -0.694 0.000 0.714 204 K HN 0.187 nan 8.250 nan 0.000 0.440 205 W N 0.856 122.183 121.300 0.047 0.000 2.402 205 W HA -0.067 4.617 4.660 0.040 0.000 0.286 205 W C 2.340 178.879 176.519 0.033 0.000 1.221 205 W CA 0.971 58.335 57.345 0.032 0.000 1.257 205 W CB -0.549 28.921 29.460 0.017 0.000 1.120 205 W HN 0.103 nan 8.180 nan 0.000 0.551 206 T N 0.616 115.295 114.554 0.209 0.000 2.746 206 T HA -0.175 4.198 4.350 0.038 0.000 0.267 206 T C 1.811 176.568 174.700 0.095 0.000 1.039 206 T CA 1.302 63.483 62.100 0.135 0.000 1.142 206 T CB -0.199 68.731 68.868 0.104 0.000 0.866 206 T HN -0.035 nan 8.240 nan 0.000 0.444 207 K N 0.889 121.320 120.400 0.051 0.000 2.097 207 K HA 0.139 4.482 4.320 0.038 0.000 0.205 207 K C 2.231 178.846 176.600 0.025 0.000 1.050 207 K CA 0.778 57.077 56.287 0.020 0.000 0.938 207 K CB -0.573 31.915 32.500 -0.020 0.000 0.718 207 K HN 0.390 nan 8.250 nan 0.000 0.442 208 I N 1.208 121.800 120.570 0.037 0.000 2.226 208 I HA -0.269 3.924 4.170 0.038 0.000 0.245 208 I C 2.442 178.620 176.117 0.100 0.000 1.100 208 I CA 1.188 62.523 61.300 0.059 0.000 1.374 208 I CB -0.365 37.709 38.000 0.124 0.000 1.057 208 I HN 0.050 nan 8.210 nan 0.000 0.413 209 A N 0.329 123.262 122.820 0.189 0.000 1.933 209 A HA -0.241 4.102 4.320 0.038 0.000 0.218 209 A C 2.184 179.912 177.584 0.240 0.000 1.175 209 A CA 1.742 53.957 52.037 0.296 0.000 0.628 209 A CB -0.608 18.548 19.000 0.259 0.000 0.814 209 A HN 0.452 nan 8.150 nan 0.000 0.444 210 E N -0.692 119.588 120.200 0.134 0.000 2.118 210 E HA -0.154 4.219 4.350 0.038 0.000 0.195 210 E C 2.213 178.851 176.600 0.062 0.000 0.992 210 E CA 1.309 57.765 56.400 0.093 0.000 0.804 210 E CB -0.141 29.592 29.700 0.055 0.000 0.741 210 E HN 0.599 nan 8.360 nan 0.000 0.458 211 S N 0.091 115.807 115.700 0.026 0.000 2.425 211 S HA -0.025 4.468 4.470 0.038 0.000 0.225 211 S C 0.850 175.419 174.600 -0.052 0.000 1.024 211 S CA -0.047 58.141 58.200 -0.020 0.000 0.951 211 S CB 0.226 63.393 63.200 -0.055 0.000 0.796 211 S HN -0.055 nan 8.310 nan 0.000 0.498 212 V N 3.156 123.005 119.914 -0.109 0.000 2.485 212 V HA 0.100 4.243 4.120 0.038 0.000 0.287 212 V C 0.977 176.949 176.094 -0.203 0.000 1.022 212 V CA 0.518 62.641 62.300 -0.295 0.000 1.067 212 V CB 0.916 32.304 31.823 -0.724 0.000 0.967 212 V HN 0.408 nan 8.190 nan 0.000 0.479 213 K N 3.129 123.459 120.400 -0.116 0.000 2.323 213 K HA 0.344 4.687 4.320 0.038 0.000 0.197 213 K C 0.766 177.354 176.600 -0.020 0.000 1.043 213 K CA 0.650 56.934 56.287 -0.005 0.000 0.997 213 K CB 0.615 33.160 32.500 0.075 0.000 0.807 213 K HN 0.886 nan 8.250 nan 0.000 0.497 214 G N 0.090 108.793 108.800 -0.161 0.000 2.387 214 G HA2 0.326 4.309 3.960 0.038 0.000 0.294 214 G HA3 0.326 4.309 3.960 0.038 0.000 0.294 214 G C -2.187 172.588 174.900 -0.209 0.000 1.509 214 G CA -0.628 44.414 45.100 -0.097 0.000 0.806 214 G HN -0.085 nan 8.290 nan 0.000 0.546 215 V N 0.253 120.136 119.914 -0.051 0.000 2.823 215 V HA 0.910 5.053 4.120 0.038 0.000 0.312 215 V C 0.038 176.124 176.094 -0.013 0.000 1.072 215 V CA 0.151 62.418 62.300 -0.055 0.000 0.937 215 V CB 2.226 34.086 31.823 0.063 0.000 1.013 215 V HN 1.534 nan 8.190 nan 0.000 0.430 216 T N 2.396 116.927 114.554 -0.039 0.000 2.823 216 T HA 0.763 5.136 4.350 0.038 0.000 0.279 216 T C -0.740 173.952 174.700 -0.013 0.000 0.998 216 T CA -0.551 61.537 62.100 -0.019 0.000 0.994 216 T CB 1.613 70.467 68.868 -0.024 0.000 0.960 216 T HN 0.830 nan 8.240 nan 0.000 0.448 217 E N 1.118 121.317 120.200 -0.002 0.000 2.224 217 E HA 0.302 4.675 4.350 0.038 0.000 0.265 217 E C 0.343 176.941 176.600 -0.003 0.000 0.878 217 E CA -0.632 55.759 56.400 -0.015 0.000 0.759 217 E CB 1.821 31.504 29.700 -0.028 0.000 1.164 217 E HN 0.682 nan 8.360 nan 0.000 0.414 218 E N 2.719 122.919 120.200 -0.000 0.000 2.364 218 E HA 0.064 4.437 4.350 0.038 0.000 0.196 218 E C -0.383 176.230 176.600 0.022 0.000 0.990 218 E CA 0.439 56.870 56.400 0.051 0.000 0.886 218 E CB 0.677 30.452 29.700 0.125 0.000 0.866 218 E HN 0.478 nan 8.360 nan 0.000 0.493 219 T N -1.090 113.438 114.554 -0.044 0.000 2.907 219 T HA 0.240 4.613 4.350 0.038 0.000 0.292 219 T C 0.816 175.474 174.700 -0.071 0.000 1.043 219 T CA -0.301 61.763 62.100 -0.061 0.000 1.003 219 T CB 1.728 70.533 68.868 -0.105 0.000 1.084 219 T HN -0.112 nan 8.240 nan 0.000 0.483 220 T N 2.197 116.732 114.554 -0.032 0.000 2.699 220 T HA -0.137 4.236 4.350 0.038 0.000 0.268 220 T C 2.002 176.686 174.700 -0.027 0.000 1.036 220 T CA 2.201 64.296 62.100 -0.010 0.000 1.147 220 T CB -0.521 68.353 68.868 0.011 0.000 0.862 220 T HN 0.699 nan 8.240 nan 0.000 0.446 221 T N 1.125 115.640 114.554 -0.065 0.000 2.746 221 T HA -0.030 4.343 4.350 0.038 0.000 0.267 221 T C 2.299 176.959 174.700 -0.067 0.000 1.039 221 T CA 1.359 63.429 62.100 -0.048 0.000 1.142 221 T CB -0.838 67.981 68.868 -0.082 0.000 0.866 221 T HN 0.563 nan 8.240 nan 0.000 0.444 222 G N 0.567 109.270 108.800 -0.162 0.000 2.422 222 G HA2 -0.122 3.861 3.960 0.038 0.000 0.218 222 G HA3 -0.122 3.861 3.960 0.038 0.000 0.218 222 G C 1.661 176.516 174.900 -0.074 0.000 1.140 222 G CA 0.579 45.616 45.100 -0.104 0.000 0.775 222 G HN 0.437 nan 8.290 nan 0.000 0.545 223 V N 0.661 120.514 119.914 -0.102 0.000 2.548 223 V HA -0.081 4.062 4.120 0.038 0.000 0.249 223 V C 2.620 178.592 176.094 -0.203 0.000 1.055 223 V CA 1.381 63.563 62.300 -0.197 0.000 1.065 223 V CB -0.195 31.534 31.823 -0.157 0.000 0.681 223 V HN 0.371 nan 8.190 nan 0.000 0.462 224 L N 1.053 122.262 121.223 -0.024 0.000 2.042 224 L HA -0.154 4.209 4.340 0.038 0.000 0.210 224 L C 2.692 179.573 176.870 0.020 0.000 1.076 224 L CA 1.935 56.821 54.840 0.076 0.000 0.749 224 L CB -0.757 41.343 42.059 0.069 0.000 0.893 224 L HN 0.251 nan 8.230 nan 0.000 0.432 225 R N -0.237 120.250 120.500 -0.022 0.000 2.120 225 R HA -0.112 4.251 4.340 0.038 0.000 0.234 225 R C 2.311 178.588 176.300 -0.039 0.000 1.123 225 R CA 1.553 57.607 56.100 -0.076 0.000 0.975 225 R CB -1.162 29.121 30.300 -0.028 0.000 0.866 225 R HN 0.428 nan 8.270 nan 0.000 0.446 226 L N 0.015 121.243 121.223 0.007 0.000 2.017 226 L HA -0.198 4.165 4.340 0.038 0.000 0.208 226 L C 2.477 179.365 176.870 0.030 0.000 1.073 226 L CA 1.457 56.320 54.840 0.038 0.000 0.745 226 L CB -0.625 41.349 42.059 -0.141 0.000 0.894 226 L HN 0.034 nan 8.230 nan 0.000 0.432 227 Y N 0.411 120.734 120.300 0.038 0.000 2.224 227 Y HA -0.262 4.310 4.550 0.037 0.000 0.289 227 Y C 2.762 178.652 175.900 -0.018 0.000 1.146 227 Y CA 1.007 59.112 58.100 0.009 0.000 1.182 227 Y CB -0.742 37.715 38.460 -0.005 0.000 0.983 227 Y HN 0.273 nan 8.280 nan 0.000 0.524 228 Q N -1.510 118.330 119.800 0.066 0.000 2.119 228 Q HA -0.160 4.203 4.340 0.038 0.000 0.201 228 Q C 1.997 177.935 176.000 -0.104 0.000 0.972 228 Q CA 1.393 57.154 55.803 -0.069 0.000 0.847 228 Q CB -0.359 28.271 28.738 -0.180 0.000 0.903 228 Q HN 0.377 nan 8.270 nan 0.000 0.433 229 F N 0.445 120.392 119.950 -0.006 0.000 2.146 229 F HA -0.131 4.420 4.527 0.039 0.000 0.298 229 F C 2.348 178.128 175.800 -0.033 0.000 1.096 229 F CA 1.067 59.044 58.000 -0.039 0.000 1.275 229 F CB -0.673 38.282 39.000 -0.074 0.000 1.008 229 F HN 0.051 nan 8.300 nan 0.000 0.480 230 A N -0.081 122.850 122.820 0.186 0.000 1.898 230 A HA -0.038 4.305 4.320 0.038 0.000 0.216 230 A C 2.421 180.052 177.584 0.078 0.000 1.181 230 A CA 1.655 53.760 52.037 0.113 0.000 0.620 230 A CB -1.316 17.764 19.000 0.134 0.000 0.819 230 A HN 0.284 nan 8.150 nan 0.000 0.442 231 A N -0.295 122.568 122.820 0.072 0.000 1.978 231 A HA 0.170 4.513 4.320 0.038 0.000 0.220 231 A C 2.240 179.837 177.584 0.022 0.000 1.170 231 A CA 1.904 53.960 52.037 0.032 0.000 0.636 231 A CB -0.726 18.282 19.000 0.013 0.000 0.810 231 A HN 1.120 nan 8.150 nan 0.000 0.448 232 A N -1.696 121.144 122.820 0.032 0.000 2.251 232 A HA 0.425 4.768 4.320 0.038 0.000 0.209 232 A C 1.697 179.302 177.584 0.036 0.000 1.187 232 A CA 1.069 53.123 52.037 0.029 0.000 0.823 232 A CB -1.018 18.000 19.000 0.030 0.000 0.846 232 A HN 1.880 nan 8.150 nan 0.000 0.486 233 G N -0.312 108.510 108.800 0.036 0.000 2.198 233 G HA2 -0.236 3.747 3.960 0.038 0.000 0.260 233 G HA3 -0.236 3.747 3.960 0.038 0.000 0.260 233 G C 0.097 175.002 174.900 0.008 0.000 1.025 233 G CA 0.535 45.647 45.100 0.019 0.000 0.769 233 G HN 0.439 nan 8.290 nan 0.000 0.507 234 D N -0.895 119.525 120.400 0.035 0.000 2.431 234 D HA 0.165 4.828 4.640 0.038 0.000 0.213 234 D C 0.925 177.129 176.300 -0.160 0.000 1.130 234 D CA -0.324 53.668 54.000 -0.012 0.000 0.834 234 D CB 0.466 41.343 40.800 0.129 0.000 0.985 234 D HN 0.398 nan 8.370 nan 0.000 0.504 235 L N 1.373 122.520 121.223 -0.127 0.000 2.342 235 L HA 0.348 4.711 4.340 0.038 0.000 0.285 235 L C 1.018 177.660 176.870 -0.380 0.000 1.095 235 L CA -0.146 54.521 54.840 -0.288 0.000 0.843 235 L CB 0.649 42.636 42.059 -0.119 0.000 1.201 235 L HN -0.087 nan 8.230 nan 0.000 0.445 236 A N 5.514 127.911 122.820 -0.704 0.000 2.251 236 A HA 0.321 4.664 4.320 0.038 0.000 0.209 236 A C -0.082 177.275 177.584 -0.378 0.000 1.187 236 A CA 0.250 51.978 52.037 -0.514 0.000 0.823 236 A CB -0.765 17.989 19.000 -0.409 0.000 0.846 236 A HN 0.669 nan 8.150 nan 0.000 0.486 237 F N -4.578 115.365 119.950 -0.011 0.000 2.693 237 F HA 0.668 5.218 4.527 0.038 0.000 0.309 237 F C -3.431 172.393 175.800 0.039 0.000 1.129 237 F CA -3.867 54.139 58.000 0.010 0.000 0.948 237 F CB 0.221 39.216 39.000 -0.008 0.000 1.315 237 F HN -0.314 nan 8.300 nan 0.000 0.447 238 P HA 0.434 nan 4.420 nan 0.000 0.269 238 P C -1.065 176.391 177.300 0.260 0.000 1.215 238 P CA 0.007 63.276 63.100 0.280 0.000 0.780 238 P CB 0.920 32.737 31.700 0.195 0.000 0.898 239 A N 2.604 125.575 122.820 0.252 0.000 2.435 239 A HA 0.718 5.061 4.320 0.038 0.000 0.304 239 A C -0.854 176.838 177.584 0.179 0.000 1.064 239 A CA -0.738 51.402 52.037 0.171 0.000 0.727 239 A CB 0.905 19.983 19.000 0.129 0.000 1.284 239 A HN 0.432 nan 8.150 nan 0.000 0.415 240 I N 2.342 122.964 120.570 0.087 0.000 2.362 240 I HA 0.199 4.392 4.170 0.038 0.000 0.289 240 I C -0.188 175.965 176.117 0.061 0.000 0.994 240 I CA -0.739 60.623 61.300 0.102 0.000 1.158 240 I CB 1.686 39.713 38.000 0.046 0.000 1.315 240 I HN 0.706 nan 8.210 nan 0.000 0.451 241 N N 6.742 125.482 118.700 0.067 0.000 2.421 241 N HA 0.070 4.833 4.740 0.038 0.000 0.260 241 N C 0.428 175.972 175.510 0.057 0.000 1.173 241 N CA 0.121 53.186 53.050 0.025 0.000 0.960 241 N CB 1.213 39.713 38.487 0.023 0.000 1.273 241 N HN 0.407 nan 8.380 nan 0.000 0.497 242 V N 3.481 123.422 119.914 0.045 0.000 2.788 242 V HA -0.104 4.039 4.120 0.038 0.000 0.251 242 V C 2.339 178.466 176.094 0.056 0.000 1.068 242 V CA 0.844 63.178 62.300 0.057 0.000 1.090 242 V CB -0.787 31.074 31.823 0.064 0.000 0.710 242 V HN 0.748 nan 8.190 nan 0.000 0.467 243 N N 0.944 119.670 118.700 0.043 0.000 2.094 243 N HA -0.222 4.541 4.740 0.038 0.000 0.191 243 N C 0.885 176.425 175.510 0.051 0.000 1.023 243 N CA 1.819 54.894 53.050 0.041 0.000 0.857 243 N CB -0.023 38.478 38.487 0.024 0.000 1.013 243 N HN 0.422 nan 8.380 nan 0.000 0.426 244 D N 0.379 120.817 120.400 0.063 0.000 2.336 244 D HA 0.111 4.774 4.640 0.038 0.000 0.228 244 D C -0.120 176.227 176.300 0.080 0.000 1.120 244 D CA 0.061 54.107 54.000 0.077 0.000 0.839 244 D CB 0.165 41.028 40.800 0.105 0.000 0.932 244 D HN 0.032 nan 8.370 nan 0.000 0.509 245 S N -0.023 115.717 115.700 0.066 0.000 2.558 245 S HA 0.009 4.502 4.470 0.038 0.000 0.288 245 S C 1.858 176.484 174.600 0.043 0.000 1.318 245 S CA -0.488 57.743 58.200 0.051 0.000 1.056 245 S CB 1.750 64.971 63.200 0.034 0.000 0.853 245 S HN -0.041 nan 8.310 nan 0.000 0.505 246 V N 3.097 123.019 119.914 0.014 0.000 2.407 246 V HA -0.156 3.987 4.120 0.038 0.000 0.248 246 V C 2.486 178.628 176.094 0.079 0.000 1.055 246 V CA 2.169 64.450 62.300 -0.031 0.000 1.049 246 V CB -1.175 30.480 31.823 -0.281 0.000 0.662 246 V HN 1.076 nan 8.190 nan 0.000 0.455 247 T N -2.825 111.734 114.554 0.009 0.000 3.160 247 T HA -0.029 4.344 4.350 0.038 0.000 0.257 247 T C 1.586 176.318 174.700 0.054 0.000 1.147 247 T CA 0.638 62.697 62.100 -0.069 0.000 1.064 247 T CB 0.177 68.881 68.868 -0.273 0.000 0.949 247 T HN 0.282 nan 8.240 nan 0.000 0.526 248 K N 1.984 122.436 120.400 0.087 0.000 2.230 248 K HA 0.095 4.438 4.320 0.038 0.000 0.219 248 K C 2.645 179.297 176.600 0.087 0.000 1.033 248 K CA 1.363 57.693 56.287 0.071 0.000 0.937 248 K CB -0.598 31.929 32.500 0.045 0.000 1.018 248 K HN 0.395 nan 8.250 nan 0.000 0.463 249 S N 1.754 117.485 115.700 0.052 0.000 2.374 249 S HA -0.116 4.377 4.470 0.038 0.000 0.227 249 S C 1.639 176.187 174.600 -0.087 0.000 1.037 249 S CA 1.117 59.315 58.200 -0.003 0.000 1.024 249 S CB -0.251 62.952 63.200 0.004 0.000 0.861 249 S HN 0.175 nan 8.310 nan 0.000 0.456 250 K N 0.217 120.561 120.400 -0.094 0.000 2.459 250 K HA 0.317 4.660 4.320 0.038 0.000 0.193 250 K C 0.844 176.988 176.600 -0.760 0.000 1.030 250 K CA 0.393 56.456 56.287 -0.374 0.000 1.026 250 K CB -0.341 31.943 32.500 -0.359 0.000 0.809 250 K HN 0.559 nan 8.250 nan 0.000 0.504 251 F N -0.011 119.813 119.950 -0.211 0.000 2.522 251 F HA 0.064 4.614 4.527 0.039 0.000 0.275 251 F C 2.131 177.852 175.800 -0.131 0.000 0.890 251 F CA 0.091 58.031 58.000 -0.100 0.000 1.157 251 F CB -0.435 38.587 39.000 0.036 0.000 1.117 251 F HN -0.072 nan 8.300 nan 0.000 0.787 252 D N 0.866 121.309 120.400 0.071 0.000 2.078 252 D HA -0.177 4.486 4.640 0.038 0.000 0.193 252 D C 1.456 177.710 176.300 -0.077 0.000 0.990 252 D CA 1.934 55.926 54.000 -0.014 0.000 0.827 252 D CB -0.362 40.478 40.800 0.066 0.000 0.975 252 D HN 0.098 nan 8.370 nan 0.000 0.451 253 N N 0.327 119.007 118.700 -0.034 0.000 2.166 253 N HA -0.126 4.637 4.740 0.038 0.000 0.186 253 N C 1.652 177.082 175.510 -0.132 0.000 1.019 253 N CA 1.007 54.043 53.050 -0.024 0.000 0.856 253 N CB -0.128 38.335 38.487 -0.039 0.000 0.993 253 N HN 0.357 nan 8.380 nan 0.000 0.426 254 K N -0.523 119.704 120.400 -0.287 0.000 2.102 254 K HA 0.016 4.359 4.320 0.038 0.000 0.208 254 K C 1.336 177.746 176.600 -0.316 0.000 1.027 254 K CA 0.534 56.584 56.287 -0.395 0.000 0.958 254 K CB -0.179 31.913 32.500 -0.679 0.000 0.819 254 K HN 0.014 nan 8.250 nan 0.000 0.453 255 Y N 0.660 120.872 120.300 -0.147 0.000 2.373 255 Y HA 0.073 4.646 4.550 0.038 0.000 0.293 255 Y C 2.284 178.078 175.900 -0.177 0.000 1.129 255 Y CA 0.867 58.901 58.100 -0.110 0.000 1.226 255 Y CB -1.044 37.388 38.460 -0.047 0.000 1.000 255 Y HN 0.303 nan 8.280 nan 0.000 0.549 256 G N -0.467 108.172 108.800 -0.270 0.000 2.433 256 G HA2 -0.241 3.742 3.960 0.038 0.000 0.216 256 G HA3 -0.241 3.742 3.960 0.038 0.000 0.216 256 G C 1.750 176.296 174.900 -0.590 0.000 1.186 256 G CA 1.698 46.278 45.100 -0.867 0.000 0.779 256 G HN 0.343 nan 8.290 nan 0.000 0.543 257 T N 0.146 114.526 114.554 -0.290 0.000 2.821 257 T HA -0.071 4.302 4.350 0.038 0.000 0.267 257 T C 2.284 177.011 174.700 0.045 0.000 1.046 257 T CA 1.169 63.300 62.100 0.052 0.000 1.139 257 T CB -0.115 68.785 68.868 0.053 0.000 0.871 257 T HN 0.332 nan 8.240 nan 0.000 0.454 258 R N 0.124 120.639 120.500 0.026 0.000 2.105 258 R HA -0.185 4.178 4.340 0.038 0.000 0.239 258 R C 2.389 178.738 176.300 0.082 0.000 1.135 258 R CA 1.425 57.562 56.100 0.062 0.000 0.967 258 R CB -0.310 30.055 30.300 0.108 0.000 0.861 258 R HN 0.511 nan 8.270 nan 0.000 0.442 259 H N -0.270 118.808 119.070 0.013 0.000 2.317 259 H HA -0.028 4.551 4.556 0.038 0.000 0.304 259 H C 1.966 177.324 175.328 0.051 0.000 1.067 259 H CA 1.993 58.058 56.048 0.029 0.000 1.352 259 H CB 0.073 29.849 29.762 0.024 0.000 1.398 259 H HN 0.384 nan 8.280 nan 0.000 0.510 260 S N 0.298 116.159 115.700 0.268 0.000 2.478 260 S HA -0.052 4.441 4.470 0.038 0.000 0.222 260 S C 2.214 176.892 174.600 0.131 0.000 1.008 260 S CA 0.468 58.823 58.200 0.259 0.000 0.928 260 S CB -0.359 63.063 63.200 0.370 0.000 0.781 260 S HN 0.268 nan 8.310 nan 0.000 0.518 261 L N 2.667 123.949 121.223 0.098 0.000 2.017 261 L HA 0.035 4.398 4.340 0.038 0.000 0.208 261 L C 2.133 179.020 176.870 0.028 0.000 1.073 261 L CA 1.887 56.759 54.840 0.054 0.000 0.745 261 L CB -0.796 41.286 42.059 0.038 0.000 0.894 261 L HN 0.526 nan 8.230 nan 0.000 0.432 262 I N -2.990 117.585 120.570 0.007 0.000 2.394 262 I HA -0.121 4.072 4.170 0.038 0.000 0.251 262 I C 2.111 178.219 176.117 -0.014 0.000 1.136 262 I CA 1.631 62.925 61.300 -0.010 0.000 1.425 262 I CB -1.134 36.852 38.000 -0.024 0.000 1.079 262 I HN 0.190 nan 8.210 nan 0.000 0.425 263 D N 1.576 121.963 120.400 -0.021 0.000 2.092 263 D HA -0.142 4.521 4.640 0.038 0.000 0.193 263 D C 2.360 178.674 176.300 0.023 0.000 0.994 263 D CA 1.995 55.995 54.000 -0.001 0.000 0.828 263 D CB -0.626 40.192 40.800 0.030 0.000 0.963 263 D HN 0.399 nan 8.370 nan 0.000 0.450 264 G N 0.507 109.328 108.800 0.036 0.000 2.440 264 G HA2 -0.227 3.756 3.960 0.038 0.000 0.218 264 G HA3 -0.227 3.756 3.960 0.038 0.000 0.218 264 G C 1.967 176.880 174.900 0.021 0.000 1.154 264 G CA 0.858 45.976 45.100 0.030 0.000 0.767 264 G HN 0.390 nan 8.290 nan 0.000 0.552 265 I N 0.935 121.516 120.570 0.019 0.000 2.226 265 I HA -0.185 4.008 4.170 0.038 0.000 0.245 265 I C 2.580 178.705 176.117 0.014 0.000 1.100 265 I CA 0.833 62.143 61.300 0.016 0.000 1.374 265 I CB -0.266 37.742 38.000 0.015 0.000 1.057 265 I HN 0.070 nan 8.210 nan 0.000 0.413 266 N N 1.149 119.855 118.700 0.009 0.000 2.043 266 N HA -0.166 4.597 4.740 0.038 0.000 0.193 266 N C 1.924 177.440 175.510 0.010 0.000 1.037 266 N CA 1.459 54.513 53.050 0.007 0.000 0.851 266 N CB -0.379 38.108 38.487 0.000 0.000 1.027 266 N HN 0.333 nan 8.380 nan 0.000 0.422 267 R N -0.113 120.394 120.500 0.013 0.000 2.115 267 R HA 0.014 4.377 4.340 0.038 0.000 0.230 267 R C 2.232 178.537 176.300 0.008 0.000 1.111 267 R CA 1.131 57.238 56.100 0.012 0.000 0.976 267 R CB -0.462 29.849 30.300 0.018 0.000 0.870 267 R HN 0.262 nan 8.270 nan 0.000 0.445 268 G N -0.024 108.781 108.800 0.008 0.000 2.394 268 G HA2 -0.235 3.749 3.960 0.038 0.000 0.215 268 G HA3 -0.235 3.749 3.960 0.038 0.000 0.215 268 G C 1.440 176.346 174.900 0.010 0.000 1.165 268 G CA 1.424 46.527 45.100 0.004 0.000 0.784 268 G HN 0.469 nan 8.290 nan 0.000 0.535 269 T N -4.300 110.264 114.554 0.016 0.000 2.980 269 T HA 0.134 4.507 4.350 0.038 0.000 0.252 269 T C 0.821 175.534 174.700 0.023 0.000 0.962 269 T CA 0.913 63.027 62.100 0.023 0.000 0.932 269 T CB 0.321 69.207 68.868 0.030 0.000 1.188 269 T HN 0.156 nan 8.240 nan 0.000 0.500 270 D N 1.823 122.233 120.400 0.017 0.000 2.882 270 D HA -0.135 4.528 4.640 0.038 0.000 0.229 270 D C 0.247 176.558 176.300 0.017 0.000 1.167 270 D CA 0.930 54.938 54.000 0.014 0.000 0.759 270 D CB -1.474 39.333 40.800 0.012 0.000 1.088 270 D HN 0.846 nan 8.370 nan 0.000 0.425 271 A N 0.478 123.311 122.820 0.021 0.000 2.328 271 A HA 0.472 4.815 4.320 0.038 0.000 0.284 271 A C 0.417 178.012 177.584 0.019 0.000 1.160 271 A CA -0.564 51.488 52.037 0.025 0.000 0.818 271 A CB 0.847 19.867 19.000 0.033 0.000 1.087 271 A HN 0.259 nan 8.150 nan 0.000 0.504 272 L N 3.072 124.306 121.223 0.018 0.000 2.578 272 L HA 0.067 4.430 4.340 0.038 0.000 0.279 272 L C 0.714 177.594 176.870 0.017 0.000 1.227 272 L CA 0.800 55.649 54.840 0.015 0.000 0.900 272 L CB -0.016 42.051 42.059 0.014 0.000 1.144 272 L HN 0.738 nan 8.230 nan 0.000 0.496 273 I N 3.411 123.990 120.570 0.015 0.000 2.810 273 I HA 0.149 4.342 4.170 0.038 0.000 0.262 273 I C 1.456 177.584 176.117 0.019 0.000 1.131 273 I CA 0.474 61.783 61.300 0.016 0.000 1.453 273 I CB -0.404 37.604 38.000 0.013 0.000 1.161 273 I HN 0.849 nan 8.210 nan 0.000 0.444 274 G N 0.148 108.959 108.800 0.018 0.000 2.353 274 G HA2 0.306 4.289 3.960 0.038 0.000 0.239 274 G HA3 0.306 4.289 3.960 0.038 0.000 0.239 274 G C 1.088 176.000 174.900 0.020 0.000 1.295 274 G CA 0.410 45.523 45.100 0.021 0.000 0.884 274 G HN 0.608 nan 8.290 nan 0.000 0.537 275 G N 1.072 109.886 108.800 0.023 0.000 2.267 275 G HA2 -0.260 3.723 3.960 0.038 0.000 0.257 275 G HA3 -0.260 3.723 3.960 0.038 0.000 0.257 275 G C 0.653 175.566 174.900 0.022 0.000 0.998 275 G CA 0.738 45.851 45.100 0.021 0.000 0.620 275 G HN 0.763 nan 8.290 nan 0.000 0.529 276 K N 0.897 121.311 120.400 0.023 0.000 2.118 276 K HA 0.475 4.818 4.320 0.038 0.000 0.264 276 K C 0.429 177.043 176.600 0.023 0.000 1.000 276 K CA -0.490 55.811 56.287 0.023 0.000 0.929 276 K CB 1.063 33.576 32.500 0.023 0.000 1.021 276 K HN 0.275 nan 8.250 nan 0.000 0.463 277 K N 1.274 121.687 120.400 0.021 0.000 2.297 277 K HA 0.272 4.615 4.320 0.038 0.000 0.286 277 K C -0.561 176.046 176.600 0.010 0.000 1.053 277 K CA -0.409 55.888 56.287 0.018 0.000 0.940 277 K CB 0.939 33.448 32.500 0.015 0.000 1.019 277 K HN 0.178 nan 8.250 nan 0.000 0.475 278 V N 4.754 124.669 119.914 0.001 0.000 2.540 278 V HA 0.291 4.434 4.120 0.038 0.000 0.302 278 V C -0.946 175.127 176.094 -0.035 0.000 1.035 278 V CA -1.022 61.269 62.300 -0.014 0.000 0.873 278 V CB 1.651 33.462 31.823 -0.020 0.000 0.992 278 V HN 0.532 nan 8.190 nan 0.000 0.428 279 L N 6.488 127.689 121.223 -0.036 0.000 2.280 279 L HA 0.621 4.984 4.340 0.038 0.000 0.287 279 L C -0.706 176.131 176.870 -0.056 0.000 1.023 279 L CA 0.028 54.838 54.840 -0.049 0.000 0.819 279 L CB 1.063 43.096 42.059 -0.043 0.000 1.212 279 L HN 0.418 nan 8.230 nan 0.000 0.420 280 I N 4.823 125.349 120.570 -0.074 0.000 2.339 280 I HA 0.262 4.455 4.170 0.038 0.000 0.290 280 I C -0.511 175.585 176.117 -0.035 0.000 0.994 280 I CA -0.340 60.926 61.300 -0.057 0.000 1.191 280 I CB 1.144 39.098 38.000 -0.076 0.000 1.343 280 I HN 0.563 nan 8.210 nan 0.000 0.458 281 C N 4.959 124.246 119.300 -0.022 0.000 2.265 281 C HA 0.790 5.273 4.460 0.038 0.000 0.332 281 C C 0.804 175.802 174.990 0.014 0.000 1.248 281 C CA -0.344 58.666 59.018 -0.014 0.000 1.727 281 C CB -0.121 27.604 27.740 -0.026 0.000 2.348 281 C HN 1.079 nan 8.230 nan 0.000 0.519 282 G N 2.338 111.161 108.800 0.037 0.000 2.907 282 G HA2 -0.084 3.899 3.960 0.038 0.000 0.686 282 G HA3 -0.084 3.899 3.960 0.038 0.000 0.686 282 G C -1.170 173.812 174.900 0.138 0.000 1.115 282 G CA -0.621 44.520 45.100 0.067 0.000 0.760 282 G HN 0.858 nan 8.290 nan 0.000 0.620 283 Y N 2.429 122.713 120.300 -0.026 0.000 2.614 283 Y HA 0.516 5.086 4.550 0.034 0.000 0.296 283 Y C 1.216 177.106 175.900 -0.015 0.000 0.942 283 Y CA 0.468 58.553 58.100 -0.025 0.000 1.111 283 Y CB 0.070 38.524 38.460 -0.010 0.000 1.182 283 Y HN 0.982 nan 8.280 nan 0.000 0.624 284 G N 0.043 108.810 108.800 -0.055 0.000 2.666 284 G HA2 0.004 3.987 3.960 0.038 0.000 0.207 284 G HA3 0.004 3.987 3.960 0.038 0.000 0.207 284 G C 0.547 175.324 174.900 -0.204 0.000 1.481 284 G CA 0.148 45.186 45.100 -0.103 0.000 1.071 284 G HN 0.244 nan 8.290 nan 0.000 0.572 285 D N -1.032 119.276 120.400 -0.152 0.000 2.149 285 D HA -0.089 4.574 4.640 0.038 0.000 0.201 285 D C 2.749 178.931 176.300 -0.196 0.000 0.972 285 D CA 0.629 54.508 54.000 -0.202 0.000 0.835 285 D CB -0.161 40.539 40.800 -0.166 0.000 0.966 285 D HN 0.044 nan 8.370 nan 0.000 0.476 286 V N 1.074 120.917 119.914 -0.118 0.000 2.358 286 V HA -0.135 4.008 4.120 0.038 0.000 0.246 286 V C 2.565 178.596 176.094 -0.105 0.000 1.047 286 V CA 1.997 64.249 62.300 -0.080 0.000 1.035 286 V CB -0.910 30.901 31.823 -0.019 0.000 0.658 286 V HN 0.221 nan 8.190 nan 0.000 0.452 287 G N -0.413 108.316 108.800 -0.119 0.000 2.432 287 G HA2 -0.224 3.759 3.960 0.038 0.000 0.219 287 G HA3 -0.224 3.759 3.960 0.038 0.000 0.219 287 G C 1.646 176.401 174.900 -0.241 0.000 1.135 287 G CA 0.714 45.754 45.100 -0.101 0.000 0.767 287 G HN 0.469 nan 8.290 nan 0.000 0.550 288 K N 0.132 120.218 120.400 -0.524 0.000 2.032 288 K HA -0.069 4.274 4.320 0.038 0.000 0.209 288 K C 2.755 179.217 176.600 -0.230 0.000 1.048 288 K CA 1.079 56.999 56.287 -0.611 0.000 0.927 288 K CB -0.424 31.690 32.500 -0.644 0.000 0.712 288 K HN 0.272 nan 8.250 nan 0.000 0.441 289 G N 0.883 109.570 108.800 -0.189 0.000 2.418 289 G HA2 -0.258 3.725 3.960 0.038 0.000 0.217 289 G HA3 -0.258 3.725 3.960 0.038 0.000 0.217 289 G C 1.632 176.507 174.900 -0.042 0.000 1.158 289 G CA 0.930 45.973 45.100 -0.095 0.000 0.771 289 G HN 0.315 nan 8.290 nan 0.000 0.545 290 C N 0.794 120.061 119.300 -0.055 0.000 2.432 290 C HA 0.178 4.661 4.460 0.038 0.000 0.277 290 C C 3.547 178.508 174.990 -0.048 0.000 1.249 290 C CA 0.980 59.977 59.018 -0.035 0.000 1.725 290 C CB -0.879 26.837 27.740 -0.040 0.000 2.028 290 C HN 0.560 nan 8.230 nan 0.000 0.477 291 A N -0.089 122.682 122.820 -0.081 0.000 1.969 291 A HA -0.195 4.148 4.320 0.038 0.000 0.218 291 A C 2.104 179.693 177.584 0.009 0.000 1.169 291 A CA 1.747 53.674 52.037 -0.183 0.000 0.635 291 A CB -0.628 18.123 19.000 -0.416 0.000 0.810 291 A HN 0.726 nan 8.150 nan 0.000 0.445 292 E N 0.014 120.267 120.200 0.089 0.000 2.072 292 E HA -0.115 4.259 4.350 0.038 0.000 0.191 292 E C 2.150 178.811 176.600 0.102 0.000 0.985 292 E CA 0.978 57.469 56.400 0.152 0.000 0.801 292 E CB -0.251 29.526 29.700 0.127 0.000 0.750 292 E HN 0.527 nan 8.360 nan 0.000 0.452 293 A N 1.177 124.031 122.820 0.056 0.000 1.865 293 A HA -0.212 4.131 4.320 0.038 0.000 0.217 293 A C 2.218 179.823 177.584 0.035 0.000 1.191 293 A CA 1.851 53.910 52.037 0.037 0.000 0.623 293 A CB -0.447 18.564 19.000 0.019 0.000 0.826 293 A HN 0.284 nan 8.150 nan 0.000 0.444 294 M N -0.639 118.977 119.600 0.026 0.000 2.099 294 M HA -0.097 4.406 4.480 0.038 0.000 0.262 294 M C 2.174 178.512 176.300 0.063 0.000 1.067 294 M CA 1.813 57.128 55.300 0.025 0.000 1.124 294 M CB -1.107 31.488 32.600 -0.008 0.000 1.353 294 M HN 0.544 nan 8.290 nan 0.000 0.410 295 K N 0.255 120.727 120.400 0.119 0.000 2.074 295 K HA -0.167 4.176 4.320 0.038 0.000 0.209 295 K C 1.884 178.549 176.600 0.109 0.000 1.048 295 K CA 1.771 58.165 56.287 0.178 0.000 0.926 295 K CB -0.342 32.340 32.500 0.304 0.000 0.713 295 K HN 0.420 nan 8.250 nan 0.000 0.444 296 G N -0.100 108.752 108.800 0.088 0.000 2.484 296 G HA2 -0.157 3.826 3.960 0.038 0.000 0.218 296 G HA3 -0.157 3.826 3.960 0.038 0.000 0.218 296 G C 1.177 176.100 174.900 0.038 0.000 1.130 296 G CA 0.030 45.165 45.100 0.058 0.000 0.784 296 G HN 0.283 nan 8.290 nan 0.000 0.543 297 Q N -0.080 119.742 119.800 0.036 0.000 2.320 297 Q HA 0.179 4.542 4.340 0.038 0.000 0.201 297 Q C 1.553 177.570 176.000 0.029 0.000 0.910 297 Q CA 0.516 56.333 55.803 0.024 0.000 0.946 297 Q CB 0.596 29.343 28.738 0.015 0.000 1.062 297 Q HN 0.518 nan 8.270 nan 0.000 0.503 298 G N 0.587 109.412 108.800 0.041 0.000 2.141 298 G HA2 -0.265 3.718 3.960 0.038 0.000 0.242 298 G HA3 -0.265 3.718 3.960 0.038 0.000 0.242 298 G C 0.330 175.257 174.900 0.044 0.000 0.982 298 G CA 0.140 45.263 45.100 0.039 0.000 0.662 298 G HN 0.544 nan 8.290 nan 0.000 0.527 299 A N -0.216 122.634 122.820 0.052 0.000 2.332 299 A HA 0.743 5.086 4.320 0.038 0.000 0.258 299 A C 0.749 178.376 177.584 0.072 0.000 1.087 299 A CA -0.040 52.027 52.037 0.049 0.000 0.802 299 A CB 0.362 19.384 19.000 0.036 0.000 1.042 299 A HN 0.476 nan 8.150 nan 0.000 0.489 300 R N 0.948 121.484 120.500 0.059 0.000 2.233 300 R HA 0.420 4.783 4.340 0.038 0.000 0.334 300 R C -1.325 175.019 176.300 0.073 0.000 1.037 300 R CA -0.297 55.847 56.100 0.074 0.000 0.920 300 R CB 1.062 31.391 30.300 0.049 0.000 1.137 300 R HN 0.436 nan 8.270 nan 0.000 0.492 301 V N 2.516 122.502 119.914 0.121 0.000 2.427 301 V HA 0.310 4.453 4.120 0.038 0.000 0.286 301 V C 0.103 176.234 176.094 0.061 0.000 1.034 301 V CA -0.318 61.999 62.300 0.028 0.000 0.893 301 V CB 1.757 33.494 31.823 -0.143 0.000 0.982 301 V HN 0.710 nan 8.190 nan 0.000 0.452 302 S N 3.075 118.760 115.700 -0.026 0.000 2.648 302 S HA 0.831 5.324 4.470 0.038 0.000 0.305 302 S C -0.694 173.847 174.600 -0.099 0.000 1.094 302 S CA -0.648 57.539 58.200 -0.022 0.000 0.983 302 S CB 2.232 65.427 63.200 -0.007 0.000 1.101 302 S HN 0.437 nan 8.310 nan 0.000 0.514 303 V N 1.675 121.534 119.914 -0.093 0.000 2.789 303 V HA 0.667 4.810 4.120 0.038 0.000 0.311 303 V C 0.031 176.082 176.094 -0.072 0.000 1.073 303 V CA -0.781 61.450 62.300 -0.115 0.000 0.921 303 V CB 2.190 33.883 31.823 -0.218 0.000 1.009 303 V HN 1.051 nan 8.190 nan 0.000 0.426 304 T N 0.966 115.490 114.554 -0.049 0.000 2.895 304 T HA 0.828 5.201 4.350 0.038 0.000 0.283 304 T C -0.786 173.909 174.700 -0.009 0.000 1.014 304 T CA -0.510 61.569 62.100 -0.034 0.000 1.037 304 T CB 2.114 70.957 68.868 -0.043 0.000 1.006 304 T HN 0.627 nan 8.240 nan 0.000 0.468 305 E N 1.181 121.377 120.200 -0.007 0.000 2.390 305 E HA 0.283 4.656 4.350 0.038 0.000 0.280 305 E C 0.295 176.900 176.600 0.008 0.000 0.992 305 E CA -0.535 55.874 56.400 0.015 0.000 0.790 305 E CB 1.973 31.691 29.700 0.029 0.000 1.248 305 E HN 0.800 nan 8.360 nan 0.000 0.447 306 I N -2.099 118.480 120.570 0.015 0.000 3.854 306 I HA 0.301 4.494 4.170 0.038 0.000 0.312 306 I C 0.589 176.713 176.117 0.013 0.000 1.273 306 I CA 0.205 61.511 61.300 0.010 0.000 1.298 306 I CB 0.433 38.439 38.000 0.009 0.000 1.071 306 I HN 0.079 nan 8.210 nan 0.000 0.428 307 D N 2.791 123.205 120.400 0.023 0.000 2.329 307 D HA 0.263 4.926 4.640 0.038 0.000 0.232 307 D C -1.685 174.630 176.300 0.025 0.000 1.088 307 D CA -2.513 51.501 54.000 0.024 0.000 0.835 307 D CB 2.039 42.858 40.800 0.032 0.000 1.078 307 D HN -0.034 nan 8.370 nan 0.000 0.495 308 P HA -0.076 nan 4.420 nan 0.000 0.220 308 P C 1.787 179.099 177.300 0.020 0.000 1.148 308 P CA 0.642 63.749 63.100 0.012 0.000 0.803 308 P CB 0.674 32.377 31.700 0.006 0.000 0.782 309 I N 0.241 120.827 120.570 0.027 0.000 2.133 309 I HA -0.211 3.982 4.170 0.038 0.000 0.238 309 I C 2.437 178.592 176.117 0.063 0.000 1.074 309 I CA 1.335 62.657 61.300 0.035 0.000 1.342 309 I CB -0.800 37.218 38.000 0.031 0.000 1.053 309 I HN -0.050 nan 8.210 nan 0.000 0.404 310 N N 1.152 119.903 118.700 0.084 0.000 2.104 310 N HA -0.177 4.586 4.740 0.038 0.000 0.190 310 N C 1.969 177.567 175.510 0.147 0.000 1.024 310 N CA 1.527 54.676 53.050 0.165 0.000 0.853 310 N CB -0.200 38.391 38.487 0.174 0.000 1.008 310 N HN 0.348 nan 8.380 nan 0.000 0.424 311 A N 1.751 124.605 122.820 0.056 0.000 1.883 311 A HA -0.147 4.196 4.320 0.038 0.000 0.217 311 A C 2.230 179.795 177.584 -0.032 0.000 1.186 311 A CA 1.097 53.125 52.037 -0.015 0.000 0.624 311 A CB -0.766 18.228 19.000 -0.010 0.000 0.822 311 A HN 0.206 nan 8.150 nan 0.000 0.444 312 L N -0.058 121.167 121.223 0.002 0.000 2.083 312 L HA -0.205 4.158 4.340 0.038 0.000 0.209 312 L C 2.521 179.396 176.870 0.008 0.000 1.083 312 L CA 2.195 57.034 54.840 -0.001 0.000 0.752 312 L CB -0.692 41.372 42.059 0.008 0.000 0.899 312 L HN 0.528 nan 8.230 nan 0.000 0.433 313 Q N -0.913 118.921 119.800 0.057 0.000 2.050 313 Q HA -0.186 4.177 4.340 0.038 0.000 0.202 313 Q C 2.302 178.335 176.000 0.055 0.000 0.980 313 Q CA 1.642 57.520 55.803 0.124 0.000 0.840 313 Q CB -0.451 28.454 28.738 0.279 0.000 0.898 313 Q HN 0.655 nan 8.270 nan 0.000 0.424 314 A N 1.265 123.956 122.820 -0.215 0.000 1.892 314 A HA -0.238 4.105 4.320 0.038 0.000 0.218 314 A C 2.128 179.624 177.584 -0.146 0.000 1.188 314 A CA 1.846 53.557 52.037 -0.542 0.000 0.631 314 A CB -0.648 17.828 19.000 -0.872 0.000 0.822 314 A HN 0.316 nan 8.150 nan 0.000 0.447 315 M N -1.455 118.078 119.600 -0.112 0.000 2.159 315 M HA -0.126 4.377 4.480 0.038 0.000 0.263 315 M C 2.057 178.296 176.300 -0.102 0.000 1.063 315 M CA 1.160 56.409 55.300 -0.085 0.000 1.110 315 M CB -0.448 32.117 32.600 -0.058 0.000 1.374 315 M HN 0.303 nan 8.290 nan 0.000 0.411 316 M N -0.046 119.512 119.600 -0.070 0.000 2.374 316 M HA -0.108 4.395 4.480 0.038 0.000 0.264 316 M C 1.095 177.336 176.300 -0.098 0.000 1.067 316 M CA 1.498 56.763 55.300 -0.058 0.000 1.103 316 M CB -0.970 31.622 32.600 -0.014 0.000 1.402 316 M HN 0.303 nan 8.290 nan 0.000 0.444 317 E N -0.859 119.250 120.200 -0.152 0.000 2.476 317 E HA 0.300 4.673 4.350 0.038 0.000 0.196 317 E C 0.864 177.031 176.600 -0.722 0.000 1.029 317 E CA 0.242 56.490 56.400 -0.253 0.000 0.896 317 E CB 0.315 30.034 29.700 0.031 0.000 1.012 317 E HN 0.591 nan 8.360 nan 0.000 0.475 318 G N 1.192 109.647 108.800 -0.576 0.000 2.134 318 G HA2 -0.222 3.761 3.960 0.038 0.000 0.209 318 G HA3 -0.222 3.761 3.960 0.038 0.000 0.209 318 G C -0.356 174.173 174.900 -0.618 0.000 0.993 318 G CA -0.477 44.277 45.100 -0.577 0.000 0.669 318 G HN 0.123 nan 8.290 nan 0.000 0.519 319 F N 1.358 121.256 119.950 -0.087 0.000 2.482 319 F HA 0.531 5.086 4.527 0.047 0.000 0.331 319 F C 0.289 176.026 175.800 -0.106 0.000 1.115 319 F CA -1.938 56.002 58.000 -0.099 0.000 0.955 319 F CB 1.236 40.143 39.000 -0.156 0.000 1.136 319 F HN -0.124 nan 8.300 nan 0.000 0.452 320 D N 1.517 121.978 120.400 0.101 0.000 2.423 320 D HA 0.200 4.863 4.640 0.038 0.000 0.238 320 D C -0.373 175.933 176.300 0.011 0.000 1.142 320 D CA 0.278 54.297 54.000 0.032 0.000 0.884 320 D CB 1.312 42.126 40.800 0.023 0.000 1.199 320 D HN 0.122 nan 8.370 nan 0.000 0.438 321 V N 2.613 122.517 119.914 -0.018 0.000 2.357 321 V HA 0.384 4.527 4.120 0.038 0.000 0.284 321 V C 0.293 176.370 176.094 -0.028 0.000 1.018 321 V CA -0.513 61.765 62.300 -0.037 0.000 0.841 321 V CB 1.297 33.091 31.823 -0.048 0.000 0.991 321 V HN 0.424 nan 8.190 nan 0.000 0.437 322 V N 2.036 121.931 119.914 -0.031 0.000 3.160 322 V HA 0.857 5.000 4.120 0.038 0.000 0.310 322 V C -0.022 176.051 176.094 -0.035 0.000 1.181 322 V CA -0.656 61.627 62.300 -0.028 0.000 1.047 322 V CB 2.108 33.916 31.823 -0.025 0.000 1.068 322 V HN 0.770 nan 8.190 nan 0.000 0.441 323 T N -1.364 113.169 114.554 -0.035 0.000 2.922 323 T HA 0.495 4.868 4.350 0.038 0.000 0.285 323 T C 0.982 175.638 174.700 -0.073 0.000 1.005 323 T CA 0.041 62.113 62.100 -0.046 0.000 1.061 323 T CB 1.486 70.337 68.868 -0.028 0.000 1.007 323 T HN 0.748 nan 8.240 nan 0.000 0.502 324 V N 1.670 121.510 119.914 -0.123 0.000 2.469 324 V HA -0.127 4.016 4.120 0.038 0.000 0.251 324 V C 2.648 178.636 176.094 -0.176 0.000 1.064 324 V CA 1.985 64.155 62.300 -0.217 0.000 1.066 324 V CB -1.051 30.497 31.823 -0.458 0.000 0.667 324 V HN 0.894 nan 8.190 nan 0.000 0.461 325 E N 0.448 120.598 120.200 -0.083 0.000 2.110 325 E HA -0.227 4.146 4.350 0.038 0.000 0.193 325 E C 2.250 178.850 176.600 -0.001 0.000 0.988 325 E CA 1.534 57.944 56.400 0.016 0.000 0.804 325 E CB -0.223 29.508 29.700 0.052 0.000 0.745 325 E HN 0.888 nan 8.360 nan 0.000 0.458 326 E N -0.364 119.825 120.200 -0.018 0.000 2.230 326 E HA 0.029 4.402 4.350 0.038 0.000 0.192 326 E C 1.600 178.190 176.600 -0.016 0.000 0.987 326 E CA 0.951 57.344 56.400 -0.012 0.000 0.841 326 E CB 0.122 29.815 29.700 -0.012 0.000 0.783 326 E HN 0.181 nan 8.360 nan 0.000 0.481 327 A N 0.712 123.514 122.820 -0.030 0.000 2.229 327 A HA 0.196 4.539 4.320 0.038 0.000 0.211 327 A C 1.939 179.506 177.584 -0.028 0.000 1.193 327 A CA -0.128 51.892 52.037 -0.028 0.000 0.879 327 A CB -0.106 18.873 19.000 -0.036 0.000 0.911 327 A HN 0.239 nan 8.150 nan 0.000 0.492 328 I N 0.759 121.305 120.570 -0.039 0.000 2.264 328 I HA -0.138 4.056 4.170 0.038 0.000 0.248 328 I C 2.126 178.238 176.117 -0.008 0.000 1.111 328 I CA 1.814 63.092 61.300 -0.036 0.000 1.382 328 I CB -0.419 37.552 38.000 -0.048 0.000 1.060 328 I HN 0.204 nan 8.210 nan 0.000 0.418 329 G N -0.721 108.078 108.800 -0.002 0.000 2.534 329 G HA2 -0.158 3.825 3.960 0.038 0.000 0.217 329 G HA3 -0.158 3.825 3.960 0.038 0.000 0.217 329 G C 1.247 176.152 174.900 0.009 0.000 1.128 329 G CA 0.779 45.882 45.100 0.005 0.000 0.784 329 G HN 0.434 nan 8.290 nan 0.000 0.542 330 D N 0.216 120.619 120.400 0.005 0.000 2.379 330 D HA 0.224 4.887 4.640 0.038 0.000 0.208 330 D C 1.315 177.621 176.300 0.011 0.000 1.065 330 D CA 0.074 54.079 54.000 0.009 0.000 0.848 330 D CB 0.679 41.482 40.800 0.006 0.000 0.949 330 D HN 0.261 nan 8.370 nan 0.000 0.509 331 A N 1.113 123.937 122.820 0.007 0.000 2.401 331 A HA 0.127 4.470 4.320 0.038 0.000 0.259 331 A C 0.826 178.422 177.584 0.019 0.000 1.103 331 A CA -0.188 51.853 52.037 0.007 0.000 0.789 331 A CB 0.738 19.735 19.000 -0.005 0.000 1.035 331 A HN -0.128 nan 8.150 nan 0.000 0.491 332 D N 1.057 121.470 120.400 0.021 0.000 2.240 332 D HA 0.126 4.789 4.640 0.038 0.000 0.206 332 D C 0.149 176.467 176.300 0.031 0.000 0.963 332 D CA 1.388 55.407 54.000 0.032 0.000 0.863 332 D CB 0.260 41.079 40.800 0.031 0.000 0.973 332 D HN 0.563 nan 8.370 nan 0.000 0.501 333 I N 1.028 121.610 120.570 0.019 0.000 2.534 333 I HA 0.215 4.408 4.170 0.038 0.000 0.288 333 I C -0.983 175.136 176.117 0.004 0.000 1.077 333 I CA -0.773 60.537 61.300 0.016 0.000 1.051 333 I CB 3.037 41.045 38.000 0.014 0.000 1.234 333 I HN -0.409 nan 8.210 nan 0.000 0.425 334 V N 6.672 126.589 119.914 0.005 0.000 2.487 334 V HA 0.520 4.663 4.120 0.038 0.000 0.298 334 V C -0.320 175.772 176.094 -0.003 0.000 1.028 334 V CA -0.677 61.619 62.300 -0.007 0.000 0.860 334 V CB 2.278 34.096 31.823 -0.009 0.000 0.991 334 V HN 0.424 nan 8.190 nan 0.000 0.427 335 V N 3.558 123.465 119.914 -0.011 0.000 2.531 335 V HA 0.509 4.652 4.120 0.038 0.000 0.301 335 V C 0.207 176.297 176.094 -0.007 0.000 1.034 335 V CA -0.574 61.724 62.300 -0.004 0.000 0.865 335 V CB 2.405 34.224 31.823 -0.007 0.000 0.995 335 V HN 0.997 nan 8.190 nan 0.000 0.424 336 T N 1.384 115.939 114.554 0.002 0.000 2.806 336 T HA 0.714 5.087 4.350 0.038 0.000 0.290 336 T C 0.233 174.940 174.700 0.012 0.000 0.966 336 T CA 0.022 62.126 62.100 0.006 0.000 1.060 336 T CB 1.671 70.547 68.868 0.013 0.000 0.927 336 T HN 1.052 nan 8.240 nan 0.000 0.485 337 A N 2.413 125.241 122.820 0.012 0.000 2.676 337 A HA 0.444 4.787 4.320 0.038 0.000 0.258 337 A C 1.419 179.014 177.584 0.019 0.000 0.898 337 A CA 0.037 52.082 52.037 0.014 0.000 1.087 337 A CB -0.225 18.776 19.000 0.002 0.000 1.214 337 A HN 0.976 nan 8.150 nan 0.000 0.474 338 T N -4.759 109.811 114.554 0.027 0.000 3.040 338 T HA 0.380 4.753 4.350 0.038 0.000 0.252 338 T C 1.672 176.396 174.700 0.040 0.000 1.064 338 T CA 1.212 63.330 62.100 0.031 0.000 1.110 338 T CB 0.031 68.916 68.868 0.028 0.000 0.921 338 T HN 1.791 nan 8.240 nan 0.000 0.480 339 G N 1.534 110.367 108.800 0.054 0.000 2.184 339 G HA2 -0.263 3.720 3.960 0.038 0.000 0.264 339 G HA3 -0.263 3.720 3.960 0.038 0.000 0.264 339 G C 0.048 174.997 174.900 0.082 0.000 0.975 339 G CA 0.269 45.414 45.100 0.074 0.000 0.642 339 G HN 0.817 nan 8.290 nan 0.000 0.536 340 N N 0.596 119.333 118.700 0.062 0.000 2.518 340 N HA 0.613 5.376 4.740 0.038 0.000 0.284 340 N C 0.361 175.900 175.510 0.049 0.000 1.230 340 N CA -0.301 52.778 53.050 0.049 0.000 0.941 340 N CB 0.839 39.344 38.487 0.030 0.000 1.219 340 N HN 0.571 nan 8.380 nan 0.000 0.560 341 K N -0.317 120.099 120.400 0.027 0.000 2.139 341 K HA 0.420 4.763 4.320 0.038 0.000 0.243 341 K C -1.039 175.569 176.600 0.014 0.000 0.983 341 K CA -0.502 55.795 56.287 0.018 0.000 0.890 341 K CB 0.677 33.170 32.500 -0.011 0.000 1.090 341 K HN 0.373 nan 8.250 nan 0.000 0.445 342 D N 0.504 120.913 120.400 0.014 0.000 2.718 342 D HA -0.132 4.531 4.640 0.038 0.000 0.242 342 D C 0.462 176.790 176.300 0.047 0.000 1.123 342 D CA 0.448 54.461 54.000 0.022 0.000 0.690 342 D CB -0.764 40.039 40.800 0.006 0.000 1.059 342 D HN 0.505 nan 8.370 nan 0.000 0.429 343 I N -0.625 119.973 120.570 0.047 0.000 2.429 343 I HA 0.003 4.196 4.170 0.038 0.000 0.247 343 I C 1.251 177.408 176.117 0.067 0.000 1.099 343 I CA 0.794 62.117 61.300 0.038 0.000 1.422 343 I CB 0.018 38.025 38.000 0.013 0.000 1.112 343 I HN 0.125 nan 8.210 nan 0.000 0.430 344 I N 2.837 123.464 120.570 0.095 0.000 2.464 344 I HA 0.281 4.474 4.170 0.038 0.000 0.277 344 I C -0.065 176.163 176.117 0.184 0.000 1.040 344 I CA -0.353 61.047 61.300 0.167 0.000 1.153 344 I CB 1.054 39.089 38.000 0.058 0.000 1.274 344 I HN -0.026 nan 8.210 nan 0.000 0.469 345 M N 4.023 123.804 119.600 0.301 0.000 2.371 345 M HA 0.238 4.741 4.480 0.038 0.000 0.301 345 M C 1.314 177.567 176.300 -0.077 0.000 1.173 345 M CA -0.774 54.520 55.300 -0.010 0.000 1.020 345 M CB 0.971 33.469 32.600 -0.169 0.000 1.490 345 M HN 0.400 nan 8.290 nan 0.000 0.485 346 L N 1.650 122.815 121.223 -0.096 0.000 2.021 346 L HA -0.223 4.140 4.340 0.038 0.000 0.215 346 L C 2.131 178.911 176.870 -0.150 0.000 1.074 346 L CA 2.186 56.973 54.840 -0.088 0.000 0.760 346 L CB -0.771 41.249 42.059 -0.064 0.000 0.889 346 L HN 0.869 nan 8.230 nan 0.000 0.433 347 E N -1.675 118.394 120.200 -0.219 0.000 2.160 347 E HA -0.278 4.095 4.350 0.038 0.000 0.195 347 E C 1.979 178.462 176.600 -0.195 0.000 0.991 347 E CA 1.621 57.878 56.400 -0.238 0.000 0.810 347 E CB -0.158 29.378 29.700 -0.273 0.000 0.742 347 E HN 0.774 nan 8.360 nan 0.000 0.466 348 H N -0.235 118.787 119.070 -0.079 0.000 2.363 348 H HA -0.017 4.551 4.556 0.019 0.000 0.301 348 H C 2.227 177.507 175.328 -0.080 0.000 1.074 348 H CA 1.298 57.306 56.048 -0.067 0.000 1.354 348 H CB 0.069 29.804 29.762 -0.045 0.000 1.397 348 H HN 0.170 nan 8.280 nan 0.000 0.516 349 I N 1.085 121.683 120.570 0.046 0.000 2.264 349 I HA -0.265 3.928 4.170 0.038 0.000 0.248 349 I C 1.835 177.868 176.117 -0.140 0.000 1.111 349 I CA 1.432 62.737 61.300 0.008 0.000 1.382 349 I CB -0.242 37.794 38.000 0.061 0.000 1.060 349 I HN 0.206 nan 8.210 nan 0.000 0.418 350 K N 0.840 121.024 120.400 -0.359 0.000 2.439 350 K HA 0.006 4.349 4.320 0.038 0.000 0.197 350 K C 1.895 178.319 176.600 -0.292 0.000 1.041 350 K CA 0.941 56.852 56.287 -0.627 0.000 0.970 350 K CB -0.036 32.090 32.500 -0.623 0.000 0.773 350 K HN 0.321 nan 8.250 nan 0.000 0.479 351 A N 0.571 123.306 122.820 -0.142 0.000 2.218 351 A HA 0.128 4.471 4.320 0.038 0.000 0.209 351 A C 0.835 178.404 177.584 -0.026 0.000 1.168 351 A CA 0.030 52.031 52.037 -0.060 0.000 0.804 351 A CB -0.092 18.900 19.000 -0.012 0.000 0.834 351 A HN 0.122 nan 8.150 nan 0.000 0.482 352 M N 0.936 120.526 119.600 -0.016 0.000 2.226 352 M HA 0.187 4.690 4.480 0.038 0.000 0.324 352 M C 0.573 176.894 176.300 0.035 0.000 1.112 352 M CA -0.202 55.110 55.300 0.020 0.000 1.176 352 M CB 0.756 33.382 32.600 0.044 0.000 1.430 352 M HN 0.369 nan 8.290 nan 0.000 0.462 353 K N 0.709 121.136 120.400 0.044 0.000 2.219 353 K HA 0.128 4.471 4.320 0.038 0.000 0.258 353 K C -0.609 176.046 176.600 0.092 0.000 1.008 353 K CA -0.707 55.615 56.287 0.059 0.000 0.928 353 K CB 0.411 32.942 32.500 0.052 0.000 0.983 353 K HN 0.473 nan 8.250 nan 0.000 0.484 354 D N 0.800 121.269 120.400 0.114 0.000 2.458 354 D HA -0.083 4.580 4.640 0.038 0.000 0.243 354 D C -0.177 176.266 176.300 0.238 0.000 1.146 354 D CA 0.804 54.910 54.000 0.177 0.000 0.877 354 D CB 0.093 41.009 40.800 0.193 0.000 1.176 354 D HN 0.785 nan 8.370 nan 0.000 0.461 355 H N 0.258 119.372 119.070 0.074 0.000 3.047 355 H HA -0.223 4.364 4.556 0.051 0.000 0.263 355 H C 0.119 175.481 175.328 0.058 0.000 1.168 355 H CA 0.474 56.559 56.048 0.063 0.000 1.152 355 H CB -1.557 28.232 29.762 0.045 0.000 1.278 355 H HN 0.526 nan 8.280 nan 0.000 0.339 356 A N 0.866 123.750 122.820 0.106 0.000 2.492 356 A HA 0.417 4.760 4.320 0.038 0.000 0.236 356 A C 0.777 178.395 177.584 0.057 0.000 1.078 356 A CA 0.260 52.342 52.037 0.074 0.000 0.773 356 A CB 0.395 19.432 19.000 0.062 0.000 1.023 356 A HN 0.319 nan 8.150 nan 0.000 0.504 357 I N 0.674 121.274 120.570 0.051 0.000 2.441 357 I HA 0.414 4.607 4.170 0.038 0.000 0.295 357 I C -0.641 175.500 176.117 0.040 0.000 0.994 357 I CA -0.565 60.763 61.300 0.045 0.000 1.144 357 I CB 1.725 39.750 38.000 0.042 0.000 1.314 357 I HN 0.545 nan 8.210 nan 0.000 0.445 358 L N 5.635 126.885 121.223 0.044 0.000 2.376 358 L HA 0.908 5.271 4.340 0.038 0.000 0.275 358 L C -0.363 176.530 176.870 0.038 0.000 0.987 358 L CA 0.192 55.054 54.840 0.037 0.000 0.828 358 L CB 1.520 43.603 42.059 0.039 0.000 1.249 358 L HN 0.655 nan 8.230 nan 0.000 0.409 359 G N 2.723 111.540 108.800 0.029 0.000 2.694 359 G HA2 0.471 4.454 3.960 0.038 0.000 0.290 359 G HA3 0.471 4.454 3.960 0.038 0.000 0.290 359 G C -1.973 172.943 174.900 0.027 0.000 1.386 359 G CA -0.754 44.365 45.100 0.033 0.000 0.872 359 G HN 0.716 nan 8.290 nan 0.000 0.475 360 N N -0.845 117.874 118.700 0.031 0.000 2.238 360 N HA 0.512 5.275 4.740 0.038 0.000 0.302 360 N C -0.257 175.266 175.510 0.021 0.000 1.072 360 N CA -0.812 52.254 53.050 0.027 0.000 0.792 360 N CB 2.128 40.635 38.487 0.034 0.000 1.425 360 N HN 0.354 nan 8.380 nan 0.000 0.478 361 I N 1.058 121.638 120.570 0.017 0.000 4.240 361 I HA 0.484 4.677 4.170 0.038 0.000 0.331 361 I C 0.716 176.839 176.117 0.010 0.000 1.381 361 I CA -0.357 60.950 61.300 0.012 0.000 1.136 361 I CB -0.023 37.989 38.000 0.021 0.000 1.137 361 I HN 0.644 nan 8.210 nan 0.000 0.411 362 G N -0.737 108.073 108.800 0.017 0.000 2.634 362 G HA2 -0.049 3.934 3.960 0.038 0.000 0.255 362 G HA3 -0.049 3.934 3.960 0.038 0.000 0.255 362 G C 0.426 175.326 174.900 0.000 0.000 1.205 362 G CA 0.052 45.170 45.100 0.030 0.000 0.884 362 G HN 0.411 nan 8.290 nan 0.000 0.549 363 H N -0.296 118.716 119.070 -0.096 0.000 2.353 363 H HA 0.041 4.621 4.556 0.041 0.000 0.300 363 H C 0.114 175.268 175.328 -0.289 0.000 1.090 363 H CA 1.206 57.112 56.048 -0.237 0.000 1.327 363 H CB -0.043 29.465 29.762 -0.423 0.000 1.383 363 H HN 0.232 nan 8.280 nan 0.000 0.508 364 F N 0.309 120.246 119.950 -0.021 0.000 2.523 364 F HA 0.168 4.714 4.527 0.033 0.000 0.329 364 F C 1.327 177.096 175.800 -0.052 0.000 1.061 364 F CA -1.033 56.920 58.000 -0.078 0.000 0.967 364 F CB 1.281 40.293 39.000 0.021 0.000 1.218 364 F HN 0.213 nan 8.300 nan 0.000 0.480 365 D N -0.365 120.138 120.400 0.171 0.000 2.347 365 D HA -0.142 4.521 4.640 0.038 0.000 0.215 365 D C 0.712 177.051 176.300 0.065 0.000 0.976 365 D CA 0.668 54.718 54.000 0.084 0.000 0.884 365 D CB -0.495 40.337 40.800 0.054 0.000 0.915 365 D HN 0.531 nan 8.370 nan 0.000 0.526 366 N N 1.317 120.058 118.700 0.068 0.000 2.575 366 N HA -0.126 4.637 4.740 0.038 0.000 0.192 366 N C 1.049 176.580 175.510 0.035 0.000 1.200 366 N CA 0.181 53.245 53.050 0.025 0.000 0.897 366 N CB -0.346 38.130 38.487 -0.018 0.000 0.990 366 N HN 0.328 nan 8.380 nan 0.000 0.449 367 E N 0.067 120.301 120.200 0.057 0.000 2.153 367 E HA -0.005 4.368 4.350 0.038 0.000 0.194 367 E C 0.173 176.792 176.600 0.032 0.000 0.988 367 E CA 0.683 57.110 56.400 0.044 0.000 0.811 367 E CB 0.227 29.956 29.700 0.047 0.000 0.746 367 E HN 0.485 nan 8.360 nan 0.000 0.466 368 I N 1.666 122.252 120.570 0.027 0.000 2.404 368 I HA 0.045 4.238 4.170 0.038 0.000 0.293 368 I C -0.095 176.021 176.117 -0.002 0.000 0.992 368 I CA -0.670 60.639 61.300 0.015 0.000 1.149 368 I CB 1.615 39.621 38.000 0.011 0.000 1.315 368 I HN -0.218 nan 8.210 nan 0.000 0.446 369 D N 6.936 127.330 120.400 -0.011 0.000 2.662 369 D HA 0.027 4.690 4.640 0.038 0.000 0.228 369 D C 1.176 177.436 176.300 -0.066 0.000 1.093 369 D CA 0.179 54.160 54.000 -0.032 0.000 1.075 369 D CB 0.481 41.261 40.800 -0.034 0.000 1.122 369 D HN 0.325 nan 8.370 nan 0.000 0.475 370 M N 0.796 120.359 119.600 -0.062 0.000 2.175 370 M HA -0.088 4.415 4.480 0.038 0.000 0.264 370 M C 2.082 178.324 176.300 -0.096 0.000 1.063 370 M CA 0.728 55.968 55.300 -0.100 0.000 1.119 370 M CB -1.133 31.447 32.600 -0.034 0.000 1.377 370 M HN 0.385 nan 8.290 nan 0.000 0.415 371 A N 0.577 123.369 122.820 -0.047 0.000 1.892 371 A HA -0.096 4.247 4.320 0.038 0.000 0.218 371 A C 2.452 180.008 177.584 -0.046 0.000 1.188 371 A CA 2.234 54.254 52.037 -0.029 0.000 0.631 371 A CB -1.546 17.447 19.000 -0.013 0.000 0.822 371 A HN 0.503 nan 8.150 nan 0.000 0.447 372 G N -0.426 108.341 108.800 -0.056 0.000 2.418 372 G HA2 -0.154 3.829 3.960 0.038 0.000 0.217 372 G HA3 -0.154 3.829 3.960 0.038 0.000 0.217 372 G C 1.504 176.358 174.900 -0.077 0.000 1.158 372 G CA 1.259 46.328 45.100 -0.052 0.000 0.771 372 G HN 0.540 nan 8.290 nan 0.000 0.545 373 L N 0.561 121.686 121.223 -0.163 0.000 2.046 373 L HA 0.063 4.426 4.340 0.038 0.000 0.208 373 L C 2.563 179.199 176.870 -0.390 0.000 1.077 373 L CA 2.085 56.738 54.840 -0.311 0.000 0.747 373 L CB -0.580 41.136 42.059 -0.571 0.000 0.896 373 L HN 0.346 nan 8.230 nan 0.000 0.432 374 E N -0.814 119.210 120.200 -0.292 0.000 2.204 374 E HA -0.145 4.228 4.350 0.038 0.000 0.194 374 E C 1.942 178.582 176.600 0.067 0.000 0.989 374 E CA 0.779 57.149 56.400 -0.049 0.000 0.824 374 E CB 0.007 29.740 29.700 0.055 0.000 0.756 374 E HN 0.473 nan 8.360 nan 0.000 0.477 375 R N 0.084 120.594 120.500 0.018 0.000 2.334 375 R HA 0.063 4.426 4.340 0.038 0.000 0.216 375 R C 2.144 178.473 176.300 0.048 0.000 0.905 375 R CA 0.551 56.676 56.100 0.042 0.000 1.064 375 R CB 0.378 30.693 30.300 0.025 0.000 1.046 375 R HN 0.088 nan 8.270 nan 0.000 0.508 376 S N -0.659 115.069 115.700 0.047 0.000 2.481 376 S HA 0.017 4.510 4.470 0.038 0.000 0.231 376 S C 1.549 176.215 174.600 0.110 0.000 0.996 376 S CA 0.858 59.109 58.200 0.085 0.000 0.942 376 S CB 0.288 63.573 63.200 0.142 0.000 0.768 376 S HN 0.451 nan 8.310 nan 0.000 0.520 377 G N 0.778 109.641 108.800 0.105 0.000 2.194 377 G HA2 -0.085 3.898 3.960 0.038 0.000 0.236 377 G HA3 -0.085 3.898 3.960 0.038 0.000 0.236 377 G C 0.302 175.257 174.900 0.092 0.000 0.987 377 G CA -0.057 45.103 45.100 0.100 0.000 0.635 377 G HN 1.327 nan 8.290 nan 0.000 0.520 378 A N 0.814 123.674 122.820 0.066 0.000 2.531 378 A HA 0.566 4.909 4.320 0.038 0.000 0.236 378 A C 1.007 178.660 177.584 0.115 0.000 1.062 378 A CA 1.528 53.520 52.037 -0.075 0.000 0.760 378 A CB 0.051 18.758 19.000 -0.488 0.000 0.995 378 A HN 1.791 nan 8.150 nan 0.000 0.501 379 T N 0.523 115.072 114.554 -0.010 0.000 2.875 379 T HA 0.608 4.981 4.350 0.038 0.000 0.284 379 T C -0.122 174.387 174.700 -0.319 0.000 0.995 379 T CA -0.755 61.284 62.100 -0.101 0.000 1.060 379 T CB 1.162 69.976 68.868 -0.091 0.000 0.967 379 T HN 0.748 nan 8.240 nan 0.000 0.476 380 R N 1.672 121.814 120.500 -0.596 0.000 2.460 380 R HA 0.637 5.000 4.340 0.038 0.000 0.303 380 R C -1.590 174.390 176.300 -0.533 0.000 0.968 380 R CA -0.732 54.770 56.100 -0.997 0.000 0.889 380 R CB 1.314 30.741 30.300 -1.454 0.000 1.123 380 R HN 0.598 nan 8.270 nan 0.000 0.455 381 V N 4.930 124.572 119.914 -0.454 0.000 2.409 381 V HA 0.209 4.352 4.120 0.038 0.000 0.291 381 V C -0.027 175.910 176.094 -0.262 0.000 1.020 381 V CA -0.957 61.179 62.300 -0.273 0.000 0.848 381 V CB 1.512 33.230 31.823 -0.176 0.000 0.990 381 V HN 0.782 nan 8.190 nan 0.000 0.430 382 N N 3.487 122.067 118.700 -0.200 0.000 2.497 382 N HA 0.157 4.920 4.740 0.038 0.000 0.271 382 N C 0.528 175.976 175.510 -0.102 0.000 1.142 382 N CA -0.136 52.825 53.050 -0.149 0.000 0.965 382 N CB 1.976 40.395 38.487 -0.113 0.000 1.077 382 N HN 0.406 nan 8.380 nan 0.000 0.462 383 V N 3.871 123.735 119.914 -0.083 0.000 2.575 383 V HA 0.039 4.182 4.120 0.038 0.000 0.242 383 V C 0.562 176.629 176.094 -0.044 0.000 1.045 383 V CA 1.127 63.395 62.300 -0.053 0.000 1.065 383 V CB -0.363 31.439 31.823 -0.035 0.000 0.717 383 V HN 0.834 nan 8.190 nan 0.000 0.467 384 K N -1.177 119.193 120.400 -0.050 0.000 2.735 384 K HA 0.354 4.697 4.320 0.038 0.000 0.295 384 K C -3.406 173.157 176.600 -0.061 0.000 1.052 384 K CA -1.704 54.557 56.287 -0.044 0.000 0.853 384 K CB 0.833 33.315 32.500 -0.030 0.000 1.535 384 K HN -0.210 nan 8.250 nan 0.000 0.383 385 P HA 0.027 nan 4.420 nan 0.000 0.264 385 P C -0.893 176.321 177.300 -0.143 0.000 1.183 385 P CA 0.680 63.719 63.100 -0.101 0.000 0.763 385 P CB 0.395 32.052 31.700 -0.072 0.000 0.807 386 Q N -1.044 118.614 119.800 -0.236 0.000 2.452 386 Q HA -0.146 4.217 4.340 0.038 0.000 0.248 386 Q C -0.719 175.213 176.000 -0.114 0.000 0.874 386 Q CA 1.015 56.660 55.803 -0.262 0.000 1.208 386 Q CB -2.227 26.341 28.738 -0.283 0.000 1.569 386 Q HN 0.248 nan 8.270 nan 0.000 0.579 387 V N 0.764 120.632 119.914 -0.077 0.000 2.482 387 V HA 0.500 4.643 4.120 0.038 0.000 0.295 387 V C -0.356 175.714 176.094 -0.040 0.000 1.026 387 V CA -0.792 61.488 62.300 -0.033 0.000 0.856 387 V CB 2.123 33.930 31.823 -0.027 0.000 1.001 387 V HN 0.082 nan 8.190 nan 0.000 0.424 388 D N 3.658 124.054 120.400 -0.006 0.000 2.619 388 D HA 0.509 5.172 4.640 0.038 0.000 0.241 388 D C -1.006 175.255 176.300 -0.065 0.000 1.087 388 D CA -0.472 53.476 54.000 -0.086 0.000 0.851 388 D CB 3.346 44.092 40.800 -0.090 0.000 1.474 388 D HN 0.379 nan 8.370 nan 0.000 0.478 389 L N 2.274 123.384 121.223 -0.188 0.000 2.287 389 L HA 0.443 4.806 4.340 0.038 0.000 0.287 389 L C -1.589 175.137 176.870 -0.240 0.000 1.022 389 L CA -0.400 54.360 54.840 -0.134 0.000 0.814 389 L CB 0.761 42.742 42.059 -0.130 0.000 1.217 389 L HN 0.294 nan 8.230 nan 0.000 0.420 390 W N 4.122 125.331 121.300 -0.152 0.000 2.429 390 W HA 0.612 5.307 4.660 0.060 0.000 0.314 390 W C -0.175 176.163 176.519 -0.301 0.000 1.062 390 W CA -0.398 56.808 57.345 -0.232 0.000 1.211 390 W CB 2.038 31.346 29.460 -0.254 0.000 1.305 390 W HN 0.393 nan 8.180 nan 0.000 0.476 391 T N 4.137 118.621 114.554 -0.116 0.000 2.807 391 T HA 0.446 4.819 4.350 0.038 0.000 0.279 391 T C -1.042 173.514 174.700 -0.241 0.000 0.993 391 T CA -0.572 61.459 62.100 -0.114 0.000 0.970 391 T CB 0.480 69.322 68.868 -0.044 0.000 0.950 391 T HN -0.041 nan 8.240 nan 0.000 0.441 392 F N 1.857 121.865 119.950 0.096 0.000 2.371 392 F HA 0.433 4.956 4.527 -0.007 0.000 0.363 392 F C 1.520 177.355 175.800 0.058 0.000 1.122 392 F CA -0.830 57.216 58.000 0.076 0.000 1.129 392 F CB 1.040 40.074 39.000 0.057 0.000 1.173 392 F HN 0.777 nan 8.300 nan 0.000 0.489 393 G N 1.917 110.821 108.800 0.173 0.000 2.443 393 G HA2 -0.262 3.721 3.960 0.038 0.000 0.219 393 G HA3 -0.262 3.721 3.960 0.038 0.000 0.219 393 G C 1.446 176.415 174.900 0.115 0.000 1.131 393 G CA 0.922 46.091 45.100 0.116 0.000 0.775 393 G HN 0.673 nan 8.290 nan 0.000 0.547 394 D N 1.164 121.646 120.400 0.138 0.000 2.117 394 D HA -0.157 4.506 4.640 0.038 0.000 0.197 394 D C 2.258 178.606 176.300 0.081 0.000 0.987 394 D CA 2.097 56.154 54.000 0.095 0.000 0.829 394 D CB -1.114 39.732 40.800 0.078 0.000 0.961 394 D HN 0.406 nan 8.370 nan 0.000 0.460 395 T N -5.081 109.537 114.554 0.107 0.000 3.015 395 T HA 0.423 4.796 4.350 0.038 0.000 0.250 395 T C 1.820 176.578 174.700 0.097 0.000 1.057 395 T CA 0.707 62.853 62.100 0.078 0.000 1.066 395 T CB 0.266 69.161 68.868 0.045 0.000 0.959 395 T HN 0.458 nan 8.240 nan 0.000 0.488 396 G N 1.708 110.586 108.800 0.131 0.000 2.176 396 G HA2 -0.232 3.751 3.960 0.038 0.000 0.253 396 G HA3 -0.232 3.751 3.960 0.038 0.000 0.253 396 G C 0.152 175.140 174.900 0.147 0.000 0.979 396 G CA -0.113 45.058 45.100 0.118 0.000 0.641 396 G HN 0.685 nan 8.290 nan 0.000 0.530 397 R N 0.438 121.055 120.500 0.196 0.000 2.486 397 R HA 0.650 5.013 4.340 0.038 0.000 0.286 397 R C -0.356 176.085 176.300 0.236 0.000 0.999 397 R CA -0.037 56.184 56.100 0.202 0.000 0.993 397 R CB 1.328 31.741 30.300 0.188 0.000 1.084 397 R HN 0.214 nan 8.270 nan 0.000 0.487 398 S N 2.344 118.130 115.700 0.144 0.000 2.536 398 S HA 0.558 5.051 4.470 0.038 0.000 0.298 398 S C -0.536 174.046 174.600 -0.030 0.000 1.083 398 S CA -0.824 57.395 58.200 0.032 0.000 0.995 398 S CB 1.490 64.619 63.200 -0.118 0.000 1.058 398 S HN 0.299 nan 8.310 nan 0.000 0.488 399 I N 2.019 122.619 120.570 0.051 0.000 2.603 399 I HA 0.485 4.678 4.170 0.038 0.000 0.300 399 I C -0.422 175.727 176.117 0.054 0.000 1.017 399 I CA -1.008 60.328 61.300 0.061 0.000 1.098 399 I CB 1.573 39.673 38.000 0.165 0.000 1.279 399 I HN 0.611 nan 8.210 nan 0.000 0.437 400 I N 4.760 125.347 120.570 0.029 0.000 2.315 400 I HA 0.334 4.527 4.170 0.038 0.000 0.291 400 I C -0.379 175.799 176.117 0.100 0.000 1.006 400 I CA -0.644 60.684 61.300 0.048 0.000 1.265 400 I CB 1.603 39.616 38.000 0.021 0.000 1.387 400 I HN 0.113 nan 8.210 nan 0.000 0.475 401 V N 7.621 127.633 119.914 0.163 0.000 2.417 401 V HA 0.384 4.527 4.120 0.038 0.000 0.291 401 V C 0.078 176.241 176.094 0.116 0.000 1.024 401 V CA -0.622 61.771 62.300 0.155 0.000 0.861 401 V CB 1.767 33.719 31.823 0.215 0.000 0.985 401 V HN 0.477 nan 8.190 nan 0.000 0.436 402 L N 3.710 124.979 121.223 0.077 0.000 2.292 402 L HA 0.377 4.740 4.340 0.038 0.000 0.284 402 L C 1.051 177.957 176.870 0.060 0.000 1.065 402 L CA -0.196 54.674 54.840 0.050 0.000 0.806 402 L CB 1.409 43.491 42.059 0.038 0.000 1.175 402 L HN 0.853 nan 8.230 nan 0.000 0.431 403 S N 1.763 117.472 115.700 0.015 0.000 3.587 403 S HA -0.199 4.294 4.470 0.038 0.000 0.337 403 S C 0.664 175.382 174.600 0.198 0.000 1.119 403 S CA 1.139 59.354 58.200 0.025 0.000 0.976 403 S CB -1.262 62.003 63.200 0.110 0.000 0.922 403 S HN 0.933 nan 8.310 nan 0.000 0.503 404 E N -1.713 118.593 120.200 0.176 0.000 2.494 404 E HA -0.304 4.069 4.350 0.038 0.000 0.249 404 E C 1.023 177.736 176.600 0.189 0.000 1.184 404 E CA 0.704 57.251 56.400 0.244 0.000 0.727 404 E CB -2.118 27.793 29.700 0.352 0.000 1.281 404 E HN 1.464 nan 8.360 nan 0.000 0.405 405 G N -0.506 108.376 108.800 0.137 0.000 2.176 405 G HA2 -0.367 3.616 3.960 0.038 0.000 0.253 405 G HA3 -0.367 3.616 3.960 0.038 0.000 0.253 405 G C 0.408 175.364 174.900 0.092 0.000 0.979 405 G CA 0.511 45.664 45.100 0.089 0.000 0.641 405 G HN 0.219 nan 8.290 nan 0.000 0.530 406 R N 0.004 120.591 120.500 0.144 0.000 2.637 406 R HA 0.594 4.957 4.340 0.038 0.000 0.269 406 R C 0.972 177.314 176.300 0.071 0.000 1.089 406 R CA -0.705 55.455 56.100 0.099 0.000 1.177 406 R CB 0.065 30.461 30.300 0.159 0.000 1.091 406 R HN 0.432 nan 8.270 nan 0.000 0.540 407 L N 2.369 123.591 121.223 -0.001 0.000 2.628 407 L HA 0.059 4.422 4.340 0.038 0.000 0.274 407 L C 0.818 177.689 176.870 0.002 0.000 1.209 407 L CA 0.235 55.061 54.840 -0.023 0.000 0.930 407 L CB -1.351 40.654 42.059 -0.090 0.000 1.183 407 L HN 0.692 nan 8.230 nan 0.000 0.492 408 L N 1.300 122.532 121.223 0.015 0.000 2.341 408 L HA 0.080 4.443 4.340 0.038 0.000 0.214 408 L C 2.033 178.914 176.870 0.018 0.000 1.115 408 L CA 1.212 56.069 54.840 0.028 0.000 0.820 408 L CB -1.047 41.030 42.059 0.031 0.000 0.944 408 L HN 0.716 nan 8.230 nan 0.000 0.452 409 N N 1.442 120.146 118.700 0.006 0.000 2.142 409 N HA -0.206 4.557 4.740 0.038 0.000 0.186 409 N C 1.703 177.209 175.510 -0.006 0.000 1.023 409 N CA 2.122 55.184 53.050 0.018 0.000 0.852 409 N CB -0.911 37.601 38.487 0.042 0.000 0.998 409 N HN 0.513 nan 8.380 nan 0.000 0.424 410 L N -0.323 120.860 121.223 -0.067 0.000 2.240 410 L HA 0.181 4.544 4.340 0.038 0.000 0.211 410 L C 2.527 179.404 176.870 0.011 0.000 1.106 410 L CA 0.968 55.760 54.840 -0.081 0.000 0.793 410 L CB -0.374 41.527 42.059 -0.263 0.000 0.927 410 L HN 0.341 nan 8.230 nan 0.000 0.446 411 G N -0.794 108.031 108.800 0.042 0.000 2.441 411 G HA2 -0.141 3.842 3.960 0.038 0.000 0.212 411 G HA3 -0.141 3.842 3.960 0.038 0.000 0.212 411 G C 1.349 176.267 174.900 0.030 0.000 1.164 411 G CA 0.097 45.254 45.100 0.095 0.000 0.811 411 G HN 0.240 nan 8.290 nan 0.000 0.535 412 N N 0.442 119.153 118.700 0.018 0.000 2.392 412 N HA 0.274 5.037 4.740 0.038 0.000 0.177 412 N C 0.976 176.500 175.510 0.023 0.000 1.066 412 N CA 0.722 53.776 53.050 0.005 0.000 0.895 412 N CB 0.938 39.428 38.487 0.006 0.000 0.988 412 N HN 0.396 nan 8.380 nan 0.000 0.457 413 A N 0.129 122.972 122.820 0.038 0.000 3.689 413 A HA 0.427 4.770 4.320 0.038 0.000 0.174 413 A C 0.591 178.214 177.584 0.065 0.000 0.741 413 A CA 0.199 52.268 52.037 0.054 0.000 0.952 413 A CB -0.055 18.983 19.000 0.063 0.000 1.740 413 A HN 0.114 nan 8.150 nan 0.000 0.770 414 T N -2.686 111.917 114.554 0.082 0.000 3.170 414 T HA 0.531 4.904 4.350 0.038 0.000 0.288 414 T C 0.996 175.734 174.700 0.063 0.000 0.992 414 T CA 1.208 63.359 62.100 0.084 0.000 0.909 414 T CB -0.303 68.630 68.868 0.108 0.000 1.133 414 T HN 2.575 nan 8.240 nan 0.000 0.530 415 G N 1.431 110.258 108.800 0.046 0.000 2.681 415 G HA2 -0.167 3.816 3.960 0.038 0.000 0.220 415 G HA3 -0.167 3.816 3.960 0.038 0.000 0.220 415 G C -0.585 174.385 174.900 0.117 0.000 1.353 415 G CA -0.654 44.439 45.100 -0.012 0.000 0.872 415 G HN 0.767 nan 8.290 nan 0.000 0.557 416 H N 1.806 120.874 119.070 -0.003 0.000 2.771 416 H HA 0.330 4.908 4.556 0.037 0.000 0.364 416 H C -1.582 173.696 175.328 -0.084 0.000 1.133 416 H CA -0.418 55.611 56.048 -0.030 0.000 1.423 416 H CB 0.754 30.478 29.762 -0.062 0.000 1.425 416 H HN 0.461 nan 8.280 nan 0.000 0.606 417 P HA 0.005 nan 4.420 nan 0.000 0.275 417 P C 0.219 177.499 177.300 -0.033 0.000 1.228 417 P CA -0.198 62.812 63.100 -0.150 0.000 0.786 417 P CB 1.252 32.686 31.700 -0.443 0.000 0.927 418 S N 1.401 117.109 115.700 0.013 0.000 2.389 418 S HA -0.232 4.261 4.470 0.038 0.000 0.231 418 S C 1.464 176.100 174.600 0.060 0.000 1.052 418 S CA 1.545 59.770 58.200 0.041 0.000 1.053 418 S CB -1.106 62.141 63.200 0.079 0.000 0.886 418 S HN 0.577 nan 8.310 nan 0.000 0.456 419 F N 1.465 121.397 119.950 -0.031 0.000 2.293 419 F HA -0.042 4.507 4.527 0.037 0.000 0.300 419 F C 2.067 177.837 175.800 -0.051 0.000 1.086 419 F CA 0.635 58.639 58.000 0.006 0.000 1.375 419 F CB -0.099 38.910 39.000 0.016 0.000 1.045 419 F HN -0.036 nan 8.300 nan 0.000 0.516 420 V N 0.068 120.025 119.914 0.072 0.000 2.323 420 V HA -0.281 3.862 4.120 0.038 0.000 0.244 420 V C 2.309 178.297 176.094 -0.177 0.000 1.041 420 V CA 1.506 63.782 62.300 -0.040 0.000 1.025 420 V CB -0.430 31.374 31.823 -0.031 0.000 0.656 420 V HN 0.244 nan 8.190 nan 0.000 0.451 421 M N -0.320 119.162 119.600 -0.197 0.000 2.460 421 M HA -0.080 4.423 4.480 0.038 0.000 0.263 421 M C 2.398 178.455 176.300 -0.404 0.000 1.071 421 M CA 1.376 56.410 55.300 -0.443 0.000 1.096 421 M CB -1.621 30.646 32.600 -0.554 0.000 1.408 421 M HN 0.447 nan 8.290 nan 0.000 0.463 422 S N 0.995 116.554 115.700 -0.235 0.000 2.382 422 S HA -0.147 4.346 4.470 0.038 0.000 0.228 422 S C 1.727 176.225 174.600 -0.170 0.000 1.027 422 S CA 1.583 59.719 58.200 -0.107 0.000 0.991 422 S CB -0.068 63.081 63.200 -0.084 0.000 0.823 422 S HN 0.450 nan 8.310 nan 0.000 0.469 423 N N 1.250 119.674 118.700 -0.459 0.000 2.058 423 N HA 0.005 4.768 4.740 0.038 0.000 0.191 423 N C 1.975 177.380 175.510 -0.176 0.000 1.037 423 N CA 1.731 54.527 53.050 -0.424 0.000 0.848 423 N CB -0.686 37.513 38.487 -0.480 0.000 1.021 423 N HN 0.365 nan 8.380 nan 0.000 0.422 424 S N 0.055 115.648 115.700 -0.178 0.000 2.368 424 S HA -0.030 4.463 4.470 0.038 0.000 0.225 424 S C 1.450 176.146 174.600 0.161 0.000 1.030 424 S CA 0.772 58.931 58.200 -0.068 0.000 0.999 424 S CB -0.270 62.813 63.200 -0.195 0.000 0.844 424 S HN 0.242 nan 8.310 nan 0.000 0.459 425 F N 1.537 121.485 119.950 -0.004 0.000 2.512 425 F HA 0.343 4.892 4.527 0.038 0.000 0.296 425 F C 2.434 178.232 175.800 -0.004 0.000 1.110 425 F CA -0.509 57.494 58.000 0.005 0.000 1.446 425 F CB -1.361 37.640 39.000 0.001 0.000 1.092 425 F HN 0.161 nan 8.300 nan 0.000 0.554 426 A N 0.697 123.623 122.820 0.177 0.000 1.877 426 A HA -0.229 4.114 4.320 0.038 0.000 0.216 426 A C 2.068 179.699 177.584 0.079 0.000 1.186 426 A CA 2.029 54.129 52.037 0.105 0.000 0.620 426 A CB -1.107 17.955 19.000 0.105 0.000 0.822 426 A HN 0.412 nan 8.150 nan 0.000 0.443 427 N N -0.866 117.877 118.700 0.073 0.000 2.120 427 N HA -0.200 4.563 4.740 0.038 0.000 0.188 427 N C 2.023 177.574 175.510 0.068 0.000 1.024 427 N CA 1.457 54.540 53.050 0.055 0.000 0.852 427 N CB -0.195 38.318 38.487 0.044 0.000 1.003 427 N HN 0.656 nan 8.380 nan 0.000 0.424 428 Q N 0.093 119.962 119.800 0.115 0.000 2.096 428 Q HA -0.130 4.233 4.340 0.038 0.000 0.204 428 Q C 1.665 177.680 176.000 0.025 0.000 0.982 428 Q CA 1.636 57.491 55.803 0.086 0.000 0.850 428 Q CB 0.050 28.864 28.738 0.127 0.000 0.901 428 Q HN 0.327 nan 8.270 nan 0.000 0.422 429 T N 0.455 115.023 114.554 0.024 0.000 2.737 429 T HA -0.099 4.274 4.350 0.038 0.000 0.265 429 T C 1.709 176.373 174.700 -0.060 0.000 1.038 429 T CA 1.240 63.321 62.100 -0.031 0.000 1.144 429 T CB -0.162 68.693 68.868 -0.022 0.000 0.866 429 T HN 0.243 nan 8.240 nan 0.000 0.434 430 I N 1.226 121.781 120.570 -0.027 0.000 2.226 430 I HA -0.176 4.017 4.170 0.038 0.000 0.245 430 I C 2.882 178.981 176.117 -0.030 0.000 1.100 430 I CA 1.060 62.340 61.300 -0.035 0.000 1.374 430 I CB -0.428 37.577 38.000 0.009 0.000 1.057 430 I HN 0.191 nan 8.210 nan 0.000 0.413 431 A N -0.058 122.755 122.820 -0.013 0.000 1.908 431 A HA -0.301 4.042 4.320 0.038 0.000 0.218 431 A C 2.218 179.773 177.584 -0.049 0.000 1.181 431 A CA 1.919 53.945 52.037 -0.019 0.000 0.627 431 A CB -0.627 18.371 19.000 -0.002 0.000 0.818 431 A HN 0.385 nan 8.150 nan 0.000 0.445 432 Q N -0.089 119.681 119.800 -0.049 0.000 2.050 432 Q HA -0.091 4.272 4.340 0.038 0.000 0.202 432 Q C 1.850 177.834 176.000 -0.026 0.000 0.980 432 Q CA 1.822 57.591 55.803 -0.056 0.000 0.840 432 Q CB -0.420 28.273 28.738 -0.075 0.000 0.898 432 Q HN 0.716 nan 8.270 nan 0.000 0.424 433 I N 0.473 121.004 120.570 -0.065 0.000 2.151 433 I HA -0.305 3.888 4.170 0.038 0.000 0.243 433 I C 2.136 178.265 176.117 0.020 0.000 1.080 433 I CA 1.297 62.557 61.300 -0.066 0.000 1.339 433 I CB -0.341 37.507 38.000 -0.254 0.000 1.039 433 I HN 0.250 nan 8.210 nan 0.000 0.409 434 E N 0.671 120.876 120.200 0.009 0.000 2.047 434 E HA -0.160 4.213 4.350 0.038 0.000 0.191 434 E C 2.359 178.975 176.600 0.027 0.000 0.987 434 E CA 1.176 57.615 56.400 0.065 0.000 0.799 434 E CB -0.377 29.382 29.700 0.098 0.000 0.752 434 E HN 0.490 nan 8.360 nan 0.000 0.449 435 L N -0.168 120.978 121.223 -0.128 0.000 2.141 435 L HA -0.122 4.241 4.340 0.038 0.000 0.209 435 L C 2.455 179.315 176.870 -0.017 0.000 1.094 435 L CA 0.959 55.642 54.840 -0.261 0.000 0.763 435 L CB -0.276 41.626 42.059 -0.263 0.000 0.908 435 L HN 0.321 nan 8.230 nan 0.000 0.437 436 W N 0.665 121.888 121.300 -0.128 0.000 2.443 436 W HA -0.172 4.511 4.660 0.039 0.000 0.296 436 W C 2.354 178.841 176.519 -0.053 0.000 1.202 436 W CA 1.758 59.045 57.345 -0.097 0.000 1.312 436 W CB 0.100 29.498 29.460 -0.103 0.000 1.120 436 W HN 0.254 nan 8.180 nan 0.000 0.536 437 T N -2.093 112.448 114.554 -0.021 0.000 3.057 437 T HA 0.119 4.492 4.350 0.038 0.000 0.254 437 T C 1.070 175.731 174.700 -0.065 0.000 1.094 437 T CA 0.440 62.487 62.100 -0.088 0.000 1.088 437 T CB -0.044 68.846 68.868 0.036 0.000 0.934 437 T HN -0.015 nan 8.240 nan 0.000 0.497 438 K N 0.936 121.340 120.400 0.008 0.000 2.676 438 K HA 0.315 4.658 4.320 0.038 0.000 0.205 438 K C 1.315 177.985 176.600 0.117 0.000 1.084 438 K CA -0.272 56.047 56.287 0.054 0.000 1.057 438 K CB 0.187 32.752 32.500 0.108 0.000 0.791 438 K HN 0.183 nan 8.250 nan 0.000 0.484 439 N N 1.880 120.593 118.700 0.023 0.000 2.137 439 N HA -0.196 4.567 4.740 0.038 0.000 0.190 439 N C 0.552 176.117 175.510 0.092 0.000 1.017 439 N CA 1.490 54.568 53.050 0.047 0.000 0.859 439 N CB 0.259 38.678 38.487 -0.112 0.000 1.002 439 N HN 0.239 nan 8.380 nan 0.000 0.428 440 D N 0.799 121.204 120.400 0.008 0.000 2.263 440 D HA -0.112 4.551 4.640 0.038 0.000 0.208 440 D C 1.009 177.300 176.300 -0.014 0.000 0.971 440 D CA 0.751 54.750 54.000 -0.002 0.000 0.867 440 D CB -0.215 40.565 40.800 -0.033 0.000 0.929 440 D HN 0.534 nan 8.370 nan 0.000 0.492 441 E N -0.668 119.498 120.200 -0.057 0.000 2.511 441 E HA -0.061 4.312 4.350 0.038 0.000 0.196 441 E C -0.282 176.070 176.600 -0.415 0.000 1.066 441 E CA 0.234 56.496 56.400 -0.230 0.000 0.871 441 E CB 0.143 29.643 29.700 -0.334 0.000 0.863 441 E HN 0.361 nan 8.360 nan 0.000 0.520 442 Y N 0.630 120.856 120.300 -0.124 0.000 2.364 442 Y HA 0.219 4.792 4.550 0.039 0.000 0.340 442 Y C 0.425 176.360 175.900 0.060 0.000 0.975 442 Y CA -1.159 56.836 58.100 -0.175 0.000 1.089 442 Y CB 1.222 39.512 38.460 -0.283 0.000 1.192 442 Y HN -0.183 nan 8.280 nan 0.000 0.454 443 D N 0.688 121.312 120.400 0.374 0.000 2.506 443 D HA 0.122 4.786 4.640 0.038 0.000 0.272 443 D C -0.331 176.171 176.300 0.335 0.000 1.214 443 D CA -0.356 53.819 54.000 0.293 0.000 1.067 443 D CB 0.669 41.602 40.800 0.222 0.000 1.117 443 D HN 0.460 nan 8.370 nan 0.000 0.578 444 N N 1.396 120.213 118.700 0.194 0.000 3.178 444 N HA 0.093 4.856 4.740 0.038 0.000 0.300 444 N C -0.429 175.146 175.510 0.108 0.000 1.242 444 N CA 0.212 53.346 53.050 0.139 0.000 1.192 444 N CB 0.163 38.680 38.487 0.050 0.000 1.463 444 N HN 0.315 nan 8.380 nan 0.000 0.539 445 E N -1.189 119.110 120.200 0.166 0.000 2.450 445 E HA 0.462 4.835 4.350 0.038 0.000 0.272 445 E C -0.739 175.870 176.600 0.014 0.000 0.967 445 E CA -1.024 55.382 56.400 0.011 0.000 0.818 445 E CB 1.562 31.154 29.700 -0.181 0.000 1.401 445 E HN -0.148 nan 8.360 nan 0.000 0.450 446 V N 1.840 121.721 119.914 -0.055 0.000 2.406 446 V HA 0.259 4.402 4.120 0.038 0.000 0.272 446 V C -1.069 174.954 176.094 -0.119 0.000 1.043 446 V CA -0.322 61.985 62.300 0.013 0.000 0.915 446 V CB -0.368 31.480 31.823 0.042 0.000 0.988 446 V HN 0.473 nan 8.190 nan 0.000 0.466 447 Y N 3.776 124.168 120.300 0.153 0.000 2.487 447 Y HA 0.692 5.265 4.550 0.038 0.000 0.337 447 Y C 0.597 176.583 175.900 0.142 0.000 1.076 447 Y CA -0.861 57.344 58.100 0.175 0.000 1.115 447 Y CB 1.575 40.191 38.460 0.261 0.000 1.235 447 Y HN 0.477 nan 8.280 nan 0.000 0.468 448 R N 1.259 121.939 120.500 0.300 0.000 2.787 448 R HA 0.570 4.933 4.340 0.038 0.000 0.271 448 R C -1.091 175.337 176.300 0.213 0.000 0.993 448 R CA -1.081 55.150 56.100 0.218 0.000 0.993 448 R CB 1.430 31.832 30.300 0.171 0.000 1.155 448 R HN 0.555 nan 8.270 nan 0.000 0.486 449 L N 2.997 124.307 121.223 0.145 0.000 2.461 449 L HA 0.194 4.557 4.340 0.038 0.000 0.272 449 L C -1.758 175.164 176.870 0.086 0.000 1.197 449 L CA -1.666 53.236 54.840 0.102 0.000 0.836 449 L CB 0.162 42.247 42.059 0.043 0.000 1.105 449 L HN 0.311 nan 8.230 nan 0.000 0.477 450 P HA 0.014 nan 4.420 nan 0.000 0.269 450 P C 0.138 177.450 177.300 0.020 0.000 1.215 450 P CA -0.336 62.808 63.100 0.073 0.000 0.780 450 P CB 0.638 32.420 31.700 0.137 0.000 0.898 451 K N 1.722 122.184 120.400 0.102 0.000 2.113 451 K HA -0.248 4.096 4.320 0.038 0.000 0.208 451 K C 2.023 178.674 176.600 0.084 0.000 1.047 451 K CA 1.509 57.863 56.287 0.111 0.000 0.928 451 K CB -0.366 32.225 32.500 0.152 0.000 0.716 451 K HN 0.637 nan 8.250 nan 0.000 0.446 452 H N 0.224 119.319 119.070 0.040 0.000 2.422 452 H HA -0.140 4.439 4.556 0.039 0.000 0.298 452 H C 1.884 177.237 175.328 0.042 0.000 1.098 452 H CA 1.434 57.493 56.048 0.019 0.000 1.315 452 H CB -0.416 29.343 29.762 -0.005 0.000 1.382 452 H HN 0.261 nan 8.280 nan 0.000 0.523 453 L N 0.503 121.457 121.223 -0.449 0.000 2.179 453 L HA -0.081 4.282 4.340 0.038 0.000 0.208 453 L C 2.133 178.948 176.870 -0.093 0.000 1.096 453 L CA 0.873 55.540 54.840 -0.289 0.000 0.779 453 L CB -0.208 41.664 42.059 -0.313 0.000 0.922 453 L HN 0.134 nan 8.230 nan 0.000 0.443 454 D N 0.367 120.732 120.400 -0.060 0.000 2.117 454 D HA -0.170 4.493 4.640 0.038 0.000 0.198 454 D C 2.060 178.356 176.300 -0.007 0.000 0.982 454 D CA 1.071 55.055 54.000 -0.027 0.000 0.828 454 D CB 0.007 40.798 40.800 -0.016 0.000 0.967 454 D HN 0.350 nan 8.370 nan 0.000 0.464 455 E N 0.680 120.906 120.200 0.043 0.000 2.077 455 E HA -0.197 4.176 4.350 0.038 0.000 0.193 455 E C 1.978 178.628 176.600 0.083 0.000 0.989 455 E CA 0.785 57.243 56.400 0.096 0.000 0.800 455 E CB -0.030 29.772 29.700 0.169 0.000 0.746 455 E HN 0.220 nan 8.360 nan 0.000 0.452 456 K N 1.139 121.579 120.400 0.067 0.000 2.044 456 K HA -0.199 4.144 4.320 0.038 0.000 0.210 456 K C 2.094 178.723 176.600 0.048 0.000 1.049 456 K CA 1.568 57.893 56.287 0.063 0.000 0.927 456 K CB -0.065 32.469 32.500 0.056 0.000 0.713 456 K HN -0.019 nan 8.250 nan 0.000 0.443 457 V N 1.253 121.188 119.914 0.035 0.000 2.261 457 V HA -0.249 3.894 4.120 0.038 0.000 0.246 457 V C 2.532 178.686 176.094 0.099 0.000 1.047 457 V CA 2.025 64.359 62.300 0.057 0.000 1.015 457 V CB -0.859 30.972 31.823 0.014 0.000 0.642 457 V HN 0.537 nan 8.190 nan 0.000 0.446 458 A N -0.165 122.650 122.820 -0.007 0.000 1.908 458 A HA -0.273 4.070 4.320 0.038 0.000 0.218 458 A C 2.411 180.032 177.584 0.062 0.000 1.181 458 A CA 2.119 54.130 52.037 -0.043 0.000 0.627 458 A CB -0.620 18.327 19.000 -0.087 0.000 0.818 458 A HN 0.474 nan 8.150 nan 0.000 0.445 459 R N -0.443 120.097 120.500 0.067 0.000 2.105 459 R HA -0.097 4.266 4.340 0.038 0.000 0.239 459 R C 1.888 178.211 176.300 0.038 0.000 1.135 459 R CA 1.675 57.816 56.100 0.069 0.000 0.967 459 R CB -0.385 29.963 30.300 0.079 0.000 0.861 459 R HN 0.590 nan 8.270 nan 0.000 0.442 460 I N -0.560 120.005 120.570 -0.008 0.000 2.286 460 I HA -0.256 3.937 4.170 0.038 0.000 0.248 460 I C 1.659 177.645 176.117 -0.217 0.000 1.115 460 I CA 1.423 62.639 61.300 -0.139 0.000 1.392 460 I CB -0.166 37.678 38.000 -0.259 0.000 1.065 460 I HN 0.289 nan 8.210 nan 0.000 0.418 461 H N -0.835 118.214 119.070 -0.035 0.000 2.415 461 H HA -0.028 4.551 4.556 0.039 0.000 0.297 461 H C 2.242 177.665 175.328 0.158 0.000 1.048 461 H CA 0.964 57.028 56.048 0.028 0.000 1.365 461 H CB -0.135 29.555 29.762 -0.120 0.000 1.421 461 H HN 0.003 nan 8.280 nan 0.000 0.533 462 V N 0.992 121.013 119.914 0.177 0.000 2.282 462 V HA -0.296 3.847 4.120 0.038 0.000 0.249 462 V C 2.423 178.577 176.094 0.100 0.000 1.057 462 V CA 2.270 64.646 62.300 0.127 0.000 1.032 462 V CB -0.391 31.487 31.823 0.092 0.000 0.645 462 V HN 0.401 nan 8.190 nan 0.000 0.447 463 E N 0.849 121.099 120.200 0.083 0.000 2.058 463 E HA -0.221 4.152 4.350 0.038 0.000 0.194 463 E C 2.100 178.746 176.600 0.076 0.000 0.997 463 E CA 1.881 58.324 56.400 0.072 0.000 0.801 463 E CB -0.579 29.149 29.700 0.048 0.000 0.746 463 E HN 0.523 nan 8.360 nan 0.000 0.450 464 A N 0.172 123.051 122.820 0.097 0.000 1.972 464 A HA -0.086 4.257 4.320 0.038 0.000 0.219 464 A C 2.179 179.839 177.584 0.127 0.000 1.169 464 A CA 1.308 53.430 52.037 0.142 0.000 0.635 464 A CB -0.509 18.627 19.000 0.226 0.000 0.810 464 A HN 0.359 nan 8.150 nan 0.000 0.446 465 L N -1.400 119.893 121.223 0.117 0.000 2.591 465 L HA 0.184 4.547 4.340 0.038 0.000 0.228 465 L C 1.610 178.458 176.870 -0.037 0.000 1.133 465 L CA 0.514 55.349 54.840 -0.009 0.000 0.880 465 L CB -0.124 41.925 42.059 -0.018 0.000 1.033 465 L HN 0.588 nan 8.230 nan 0.000 0.450 466 G N 0.091 108.882 108.800 -0.014 0.000 2.136 466 G HA2 -0.222 3.761 3.960 0.038 0.000 0.242 466 G HA3 -0.222 3.761 3.960 0.038 0.000 0.242 466 G C 0.541 175.312 174.900 -0.216 0.000 0.989 466 G CA -0.097 44.966 45.100 -0.062 0.000 0.682 466 G HN 0.500 nan 8.290 nan 0.000 0.522 467 G N -0.916 107.810 108.800 -0.124 0.000 2.527 467 G HA2 0.526 4.509 3.960 0.038 0.000 0.248 467 G HA3 0.526 4.509 3.960 0.038 0.000 0.248 467 G C -0.438 174.406 174.900 -0.094 0.000 1.231 467 G CA -0.422 44.572 45.100 -0.177 0.000 0.838 467 G HN 0.593 nan 8.290 nan 0.000 0.570 468 H N 0.933 120.014 119.070 0.018 0.000 2.638 468 H HA 0.263 4.843 4.556 0.039 0.000 0.303 468 H C 0.152 175.485 175.328 0.010 0.000 1.034 468 H CA -0.841 55.215 56.048 0.014 0.000 1.225 468 H CB 1.275 31.043 29.762 0.009 0.000 1.394 468 H HN 0.167 nan 8.280 nan 0.000 0.477 469 L N 2.781 124.082 121.223 0.131 0.000 2.456 469 L HA 0.086 4.449 4.340 0.038 0.000 0.272 469 L C 0.598 177.493 176.870 0.042 0.000 1.189 469 L CA 0.078 54.954 54.840 0.061 0.000 0.846 469 L CB 0.670 42.752 42.059 0.039 0.000 1.111 469 L HN 0.624 nan 8.230 nan 0.000 0.475 470 T N 3.098 117.658 114.554 0.009 0.000 2.897 470 T HA 0.150 4.523 4.350 0.038 0.000 0.294 470 T C 0.054 174.742 174.700 -0.021 0.000 1.004 470 T CA -0.394 61.703 62.100 -0.004 0.000 1.106 470 T CB 1.033 69.892 68.868 -0.015 0.000 0.949 470 T HN 0.402 nan 8.240 nan 0.000 0.520 471 K N 3.596 123.994 120.400 -0.004 0.000 2.213 471 K HA 0.390 4.733 4.320 0.038 0.000 0.270 471 K C -0.350 176.257 176.600 0.011 0.000 1.002 471 K CA -0.657 55.637 56.287 0.010 0.000 0.868 471 K CB 0.609 33.122 32.500 0.022 0.000 1.093 471 K HN 0.526 nan 8.250 nan 0.000 0.454 472 L N 3.808 125.046 121.223 0.024 0.000 2.485 472 L HA 0.037 4.400 4.340 0.038 0.000 0.275 472 L C 0.980 177.873 176.870 0.038 0.000 1.207 472 L CA -0.016 54.845 54.840 0.035 0.000 0.855 472 L CB 0.675 42.779 42.059 0.076 0.000 1.114 472 L HN 0.829 nan 8.230 nan 0.000 0.485 473 T N -0.725 113.844 114.554 0.026 0.000 2.828 473 T HA 0.088 4.461 4.350 0.038 0.000 0.290 473 T C 0.999 175.720 174.700 0.035 0.000 1.019 473 T CA -0.662 61.452 62.100 0.022 0.000 1.031 473 T CB 1.230 70.103 68.868 0.008 0.000 1.001 473 T HN 0.684 nan 8.240 nan 0.000 0.531 474 K N 0.729 121.147 120.400 0.031 0.000 2.074 474 K HA -0.214 4.129 4.320 0.038 0.000 0.209 474 K C 2.131 178.758 176.600 0.045 0.000 1.048 474 K CA 2.000 58.309 56.287 0.037 0.000 0.926 474 K CB -0.156 32.360 32.500 0.027 0.000 0.713 474 K HN 0.791 nan 8.250 nan 0.000 0.444 475 E N 0.170 120.391 120.200 0.036 0.000 2.072 475 E HA -0.210 4.163 4.350 0.038 0.000 0.191 475 E C 2.276 178.917 176.600 0.068 0.000 0.985 475 E CA 1.272 57.699 56.400 0.044 0.000 0.801 475 E CB -0.003 29.707 29.700 0.016 0.000 0.750 475 E HN 0.438 nan 8.360 nan 0.000 0.452 476 Q N 0.364 120.190 119.800 0.044 0.000 2.084 476 Q HA -0.152 4.211 4.340 0.038 0.000 0.202 476 Q C 2.238 178.320 176.000 0.137 0.000 0.978 476 Q CA 1.366 57.210 55.803 0.069 0.000 0.844 476 Q CB -0.194 28.559 28.738 0.025 0.000 0.898 476 Q HN 0.225 nan 8.270 nan 0.000 0.426 477 A N 1.240 124.125 122.820 0.108 0.000 1.902 477 A HA -0.271 4.072 4.320 0.038 0.000 0.217 477 A C 1.948 179.595 177.584 0.105 0.000 1.181 477 A CA 1.680 53.784 52.037 0.111 0.000 0.623 477 A CB -0.551 18.504 19.000 0.091 0.000 0.818 477 A HN 0.454 nan 8.150 nan 0.000 0.443 478 E N -1.713 118.548 120.200 0.103 0.000 2.077 478 E HA -0.241 4.132 4.350 0.038 0.000 0.193 478 E C 1.837 178.507 176.600 0.116 0.000 0.989 478 E CA 1.407 57.861 56.400 0.090 0.000 0.800 478 E CB -0.315 29.436 29.700 0.085 0.000 0.746 478 E HN 0.715 nan 8.360 nan 0.000 0.452 479 Y N 0.921 121.232 120.300 0.019 0.000 2.181 479 Y HA -0.133 4.440 4.550 0.038 0.000 0.288 479 Y C 1.896 177.807 175.900 0.018 0.000 1.146 479 Y CA 1.549 59.659 58.100 0.017 0.000 1.164 479 Y CB 0.000 38.470 38.460 0.015 0.000 0.982 479 Y HN 0.036 nan 8.280 nan 0.000 0.515 480 L N -0.659 120.646 121.223 0.136 0.000 2.492 480 L HA 0.116 4.479 4.340 0.038 0.000 0.223 480 L C 1.489 178.361 176.870 0.004 0.000 1.132 480 L CA 0.731 55.600 54.840 0.047 0.000 0.850 480 L CB -0.789 41.344 42.059 0.123 0.000 0.966 480 L HN 0.495 nan 8.230 nan 0.000 0.454 481 G N 1.358 110.167 108.800 0.014 0.000 2.272 481 G HA2 -0.216 3.767 3.960 0.038 0.000 0.280 481 G HA3 -0.216 3.767 3.960 0.038 0.000 0.280 481 G C 0.008 174.915 174.900 0.013 0.000 1.067 481 G CA 0.368 45.470 45.100 0.003 0.000 0.902 481 G HN 0.298 nan 8.290 nan 0.000 0.500 482 V N -4.093 115.843 119.914 0.036 0.000 3.126 482 V HA 0.884 5.027 4.120 0.038 0.000 0.314 482 V C -0.165 175.943 176.094 0.023 0.000 1.138 482 V CA -1.602 60.713 62.300 0.024 0.000 1.034 482 V CB 2.148 34.019 31.823 0.079 0.000 1.075 482 V HN 0.029 nan 8.190 nan 0.000 0.442 483 D N 0.659 121.044 120.400 -0.024 0.000 2.304 483 D HA 0.394 5.057 4.640 0.038 0.000 0.247 483 D C 1.227 177.548 176.300 0.035 0.000 1.089 483 D CA -0.216 53.775 54.000 -0.015 0.000 0.910 483 D CB 2.059 42.823 40.800 -0.060 0.000 1.199 483 D HN 0.388 nan 8.370 nan 0.000 0.426 484 V N 2.059 122.018 119.914 0.076 0.000 2.453 484 V HA -0.215 3.928 4.120 0.038 0.000 0.252 484 V C 1.754 177.972 176.094 0.206 0.000 1.068 484 V CA 1.589 63.979 62.300 0.150 0.000 1.070 484 V CB -0.286 31.595 31.823 0.097 0.000 0.664 484 V HN 0.510 nan 8.190 nan 0.000 0.461 485 E N 0.085 120.326 120.200 0.068 0.000 2.489 485 E HA 0.271 4.644 4.350 0.038 0.000 0.193 485 E C 1.210 177.696 176.600 -0.191 0.000 1.057 485 E CA 0.713 57.136 56.400 0.039 0.000 0.866 485 E CB -0.228 29.480 29.700 0.012 0.000 0.916 485 E HN 0.610 nan 8.360 nan 0.000 0.500 486 G N 2.953 111.409 108.800 -0.573 0.000 2.796 486 G HA2 -0.216 3.767 3.960 0.038 0.000 0.226 486 G HA3 -0.216 3.767 3.960 0.038 0.000 0.226 486 G C -2.402 172.237 174.900 -0.435 0.000 1.381 486 G CA -0.562 43.918 45.100 -1.034 0.000 0.867 486 G HN 0.092 nan 8.290 nan 0.000 0.552 487 P HA 0.304 nan 4.420 nan 0.000 0.271 487 P C -0.252 176.792 177.300 -0.426 0.000 1.218 487 P CA 0.120 63.009 63.100 -0.353 0.000 0.780 487 P CB 0.279 31.939 31.700 -0.067 0.000 0.901 488 Y N -0.277 120.040 120.300 0.027 0.000 2.478 488 Y HA 0.187 4.760 4.550 0.038 0.000 0.261 488 Y C 1.134 176.961 175.900 -0.121 0.000 1.127 488 Y CA 0.491 58.575 58.100 -0.028 0.000 1.288 488 Y CB 0.256 38.706 38.460 -0.016 0.000 1.084 488 Y HN 0.103 nan 8.280 nan 0.000 0.530 489 K N 0.663 121.047 120.400 -0.026 0.000 2.385 489 K HA 0.413 4.756 4.320 0.038 0.000 0.248 489 K C -2.837 173.687 176.600 -0.126 0.000 0.955 489 K CA -2.144 54.004 56.287 -0.231 0.000 0.816 489 K CB 1.329 33.534 32.500 -0.491 0.000 1.250 489 K HN -0.179 nan 8.250 nan 0.000 0.434 490 P HA 0.043 nan 4.420 nan 0.000 0.272 490 P C 0.264 177.496 177.300 -0.112 0.000 1.240 490 P CA -0.018 62.999 63.100 -0.138 0.000 0.791 490 P CB 0.686 32.248 31.700 -0.230 0.000 0.978 491 D N -0.275 120.127 120.400 0.003 0.000 2.144 491 D HA -0.218 4.445 4.640 0.038 0.000 0.199 491 D C 1.447 177.807 176.300 0.099 0.000 0.984 491 D CA 1.533 55.587 54.000 0.091 0.000 0.834 491 D CB -0.390 40.495 40.800 0.142 0.000 0.955 491 D HN 0.627 nan 8.370 nan 0.000 0.465 492 H N -2.785 116.356 119.070 0.118 0.000 2.533 492 H HA 0.129 4.708 4.556 0.038 0.000 0.271 492 H C -0.108 175.284 175.328 0.107 0.000 1.000 492 H CA -0.556 55.553 56.048 0.100 0.000 1.149 492 H CB -1.033 28.767 29.762 0.063 0.000 1.375 492 H HN 0.082 nan 8.280 nan 0.000 0.582 493 Y N 2.616 122.681 120.300 -0.392 0.000 2.712 493 Y HA -0.035 4.539 4.550 0.039 0.000 0.333 493 Y C 1.016 176.828 175.900 -0.146 0.000 1.225 493 Y CA 0.114 58.002 58.100 -0.352 0.000 1.499 493 Y CB 0.587 38.734 38.460 -0.523 0.000 1.288 493 Y HN 0.202 nan 8.280 nan 0.000 0.575 494 R N 3.645 123.752 120.500 -0.654 0.000 2.334 494 R HA 0.078 4.441 4.340 0.038 0.000 0.212 494 R C -0.654 175.559 176.300 -0.145 0.000 0.897 494 R CA -0.043 55.895 56.100 -0.270 0.000 1.056 494 R CB -0.009 30.178 30.300 -0.188 0.000 1.046 494 R HN 0.791 nan 8.270 nan 0.000 0.513 495 Y N 0.000 119.938 120.300 -0.603 0.000 2.660 495 Y HA 0.000 4.573 4.550 0.038 0.000 0.201 495 Y CA 0.000 58.019 58.100 -0.136 0.000 1.940 495 Y CB 0.000 38.541 38.460 0.134 0.000 1.050 495 Y HN 0.000 nan 8.280 nan 0.000 0.758