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 2hqa_1_A DATA FIRST_RESID 2 DATA SEQUENCE SEPRFVHLRV HSDYSXIDGL AKTAPLVKKA AALGXPALAI TDFTNLCGLV DATA SEQUENCE KFYGAGHGAG IKPIVGADFN VQCDLLGDEL THLTVLAANN TGYQNLTLLI DATA SEQUENCE SKAYQRGYGA AGPIIDRDWL IELNEGLILL SGGRXGDVGR SLLRGNSALV DATA SEQUENCE DECVAFYEEH FPDRYFLELI RTGRPDEESY LHAAVELAEA RGLPVVATND DATA SEQUENCE VRFIDSSDFD AHEIRVAIHD GFTLDDPKRP RNYSPQQYXR SEEEXCELFA DATA SEQUENCE DIPEALANTV EIAKRCNVTV RLGEYFLPQF PTGDXSTEDY LVKRAKEGLE DATA SEQUENCE ERLAFLFPDE EERLKRRPEY DERLETELQV INQXGFPGYF LIVXEFIQWS DATA SEQUENCE KDNGVPVGPG RGSGAGSLVA YALKITDLDP LEFDLLFERF LNPERVSXPD DATA SEQUENCE FDVDFCXEKR DQVIEHVADX YGRDAVSQII TFGTXAAKAV IRDVGRVLGH DATA SEQUENCE PYGFVDRISK LIPPDPGXTL AKAFEAEPQL PEIYEADEEV KALIDXARKL DATA SEQUENCE EGVTRNAGKH AGGVVIAPTK ITDFAPLYCD EEGKHPVTQF DKSDVEYAGL DATA SEQUENCE VKFDFLGLRT LTIINWALEX INKRRAKNGE PPLDIAAIPL DDKKSFDXLQ DATA SEQUENCE RSETTAVFQL ESRGXKDLIK RLQPDCFEDX IALVALFRPG PLQSGXVDNF DATA SEQUENCE IDRKHGREEI SYPDVQWQHE SLKPVLEPTY GIILYQEQVX QIAQVLSGYT DATA SEQUENCE LGGADXLRRA XGKKKPEEXA KQRSVFAEGA EKNGINAELA XKIFDLVEKF DATA SEQUENCE AGYGFNKSHS AAYALVSYQT LWLKAHYPAE FXAAVXTADX DNTEKVVGLV DATA SEQUENCE DECWRXGLKI LPPDINSGLY HFHVNDDGEI VYGIGAIKGV GEGPIEAIIE DATA SEQUENCE ARNKGGYFRE LFDLCARTDT KKLNRRVLEK LIXSGAFDRL GPHRAALXNS DATA SEQUENCE LGDALKAADQ 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.602 174.600 0.004 0.000 1.055 2 S CA 0.000 58.203 58.200 0.006 0.000 1.107 2 S CB 0.000 63.203 63.200 0.005 0.000 0.593 3 E N 0.599 120.802 120.200 0.005 0.000 2.310 3 E HA 0.491 4.840 4.350 -0.001 0.000 0.243 3 E C -2.993 173.609 176.600 0.004 0.000 1.027 3 E CA -1.187 55.215 56.400 0.002 0.000 0.887 3 E CB -0.119 29.579 29.700 -0.003 0.000 1.828 3 E HN 0.071 nan 8.360 nan 0.000 0.456 4 P HA 0.255 nan 4.420 nan 0.000 0.267 4 P C 0.049 177.352 177.300 0.005 0.000 1.209 4 P CA 0.276 63.375 63.100 -0.002 0.000 0.763 4 P CB 0.626 32.312 31.700 -0.024 0.000 0.816 5 R N 1.945 122.464 120.500 0.032 0.000 2.156 5 R HA 0.331 4.671 4.340 -0.001 0.000 0.207 5 R C 0.033 176.392 176.300 0.098 0.000 1.040 5 R CA 0.517 56.649 56.100 0.054 0.000 1.013 5 R CB 0.107 30.445 30.300 0.063 0.000 0.931 5 R HN 0.481 nan 8.270 nan 0.000 0.465 6 F N 0.247 120.142 119.950 -0.092 0.000 2.635 6 F HA 0.438 4.964 4.527 -0.001 0.000 0.314 6 F C -1.378 174.328 175.800 -0.158 0.000 1.119 6 F CA -1.325 56.588 58.000 -0.146 0.000 1.000 6 F CB 1.394 40.284 39.000 -0.183 0.000 1.278 6 F HN -0.231 nan 8.300 nan 0.000 0.446 7 V N 2.030 121.331 119.914 -1.020 0.000 2.864 7 V HA 0.606 4.726 4.120 -0.001 0.000 0.314 7 V C -1.083 174.240 176.094 -1.285 0.000 1.073 7 V CA -0.640 61.194 62.300 -0.777 0.000 0.956 7 V CB 1.803 33.405 31.823 -0.369 0.000 1.023 7 V HN 0.817 nan 8.190 nan 0.000 0.435 8 H N 3.388 122.189 119.070 -0.448 0.000 2.668 8 H HA 0.467 5.023 4.556 -0.001 0.000 0.303 8 H C 0.196 175.417 175.328 -0.179 0.000 1.074 8 H CA 0.050 55.984 56.048 -0.190 0.000 1.406 8 H CB 1.971 31.776 29.762 0.073 0.000 1.442 8 H HN 0.649 nan 8.280 nan 0.000 0.482 9 L N 3.069 124.257 121.223 -0.059 0.000 2.693 9 L HA 0.220 4.559 4.340 -0.001 0.000 0.235 9 L C 0.686 177.569 176.870 0.022 0.000 1.127 9 L CA 0.157 54.963 54.840 -0.056 0.000 0.914 9 L CB 0.446 42.415 42.059 -0.150 0.000 1.193 9 L HN 0.241 nan 8.230 nan 0.000 0.502 10 R N 0.828 121.374 120.500 0.078 0.000 2.518 10 R HA 0.615 4.955 4.340 -0.001 0.000 0.296 10 R C -1.970 174.380 176.300 0.083 0.000 1.080 10 R CA -0.188 55.967 56.100 0.092 0.000 0.922 10 R CB 1.662 32.014 30.300 0.087 0.000 1.184 10 R HN -0.171 nan 8.270 nan 0.000 0.445 11 V N 4.084 124.060 119.914 0.103 0.000 2.789 11 V HA 0.314 4.433 4.120 -0.001 0.000 0.300 11 V C -0.857 175.334 176.094 0.162 0.000 1.184 11 V CA -0.818 61.507 62.300 0.042 0.000 0.930 11 V CB 2.056 33.847 31.823 -0.054 0.000 1.041 11 V HN 0.817 nan 8.190 nan 0.000 0.430 12 H N 1.822 120.837 119.070 -0.093 0.000 2.472 12 H HA 0.668 5.223 4.556 -0.001 0.000 0.338 12 H C 0.141 175.415 175.328 -0.089 0.000 1.133 12 H CA -0.356 55.655 56.048 -0.062 0.000 1.216 12 H CB 2.302 32.052 29.762 -0.019 0.000 1.497 12 H HN 0.773 nan 8.280 nan 0.000 0.500 13 S N 0.748 116.458 115.700 0.016 0.000 2.718 13 S HA -0.008 4.461 4.470 -0.001 0.000 0.292 13 S C 0.995 175.583 174.600 -0.020 0.000 1.125 13 S CA -0.545 57.633 58.200 -0.037 0.000 1.013 13 S CB 1.035 64.181 63.200 -0.089 0.000 1.192 13 S HN 0.803 nan 8.310 nan 0.000 0.535 14 D N -0.682 119.654 120.400 -0.107 0.000 2.348 14 D HA -0.133 4.507 4.640 -0.001 0.000 0.216 14 D C 1.197 177.427 176.300 -0.116 0.000 0.970 14 D CA 0.933 54.866 54.000 -0.111 0.000 0.889 14 D CB -0.780 39.924 40.800 -0.160 0.000 0.912 14 D HN 0.702 nan 8.370 nan 0.000 0.524 15 Y N 0.812 121.053 120.300 -0.098 0.000 2.569 15 Y HA -0.057 4.493 4.550 -0.001 0.000 0.293 15 Y C 1.677 177.562 175.900 -0.026 0.000 1.144 15 Y CA 0.109 58.135 58.100 -0.123 0.000 1.321 15 Y CB 0.154 38.516 38.460 -0.163 0.000 0.982 15 Y HN -0.120 nan 8.280 nan 0.000 0.558 19 D N -0.394 119.953 120.400 -0.088 0.000 2.865 19 D HA 0.586 5.225 4.640 -0.001 0.000 0.343 19 D C 0.178 176.570 176.300 0.154 0.000 1.372 19 D CA 0.067 54.068 54.000 0.002 0.000 0.862 19 D CB 0.652 41.489 40.800 0.061 0.000 1.425 19 D HN 0.568 nan 8.370 nan 0.000 0.501 20 G N -1.696 107.302 108.800 0.330 0.000 2.662 20 G HA2 0.139 4.098 3.960 -0.001 0.000 0.686 20 G HA3 0.139 4.098 3.960 -0.001 0.000 0.686 20 G C -0.628 174.380 174.900 0.180 0.000 1.271 20 G CA -0.112 45.088 45.100 0.167 0.000 0.816 20 G HN 0.793 nan 8.290 nan 0.000 0.608 21 L N 0.177 121.458 121.223 0.097 0.000 2.603 21 L HA 0.592 4.931 4.340 -0.001 0.000 0.189 21 L C 1.850 178.718 176.870 -0.003 0.000 1.082 21 L CA 0.726 55.609 54.840 0.072 0.000 0.921 21 L CB -0.141 41.986 42.059 0.113 0.000 1.694 21 L HN 1.312 nan 8.230 nan 0.000 0.491 22 A N 1.285 124.100 122.820 -0.008 0.000 2.340 22 A HA 0.360 4.679 4.320 -0.001 0.000 0.268 22 A C -0.153 177.379 177.584 -0.087 0.000 1.100 22 A CA -0.273 51.742 52.037 -0.037 0.000 0.803 22 A CB 0.416 19.405 19.000 -0.019 0.000 1.043 22 A HN 0.214 nan 8.150 nan 0.000 0.488 23 K N 0.418 120.755 120.400 -0.106 0.000 2.140 23 K HA 0.249 4.568 4.320 -0.001 0.000 0.237 23 K C 1.027 177.561 176.600 -0.109 0.000 1.045 23 K CA -0.064 56.130 56.287 -0.154 0.000 0.896 23 K CB 0.176 32.581 32.500 -0.158 0.000 1.122 23 K HN 0.683 nan 8.250 nan 0.000 0.503 24 T N 0.853 115.349 114.554 -0.096 0.000 2.737 24 T HA -0.150 4.199 4.350 -0.001 0.000 0.265 24 T C 1.895 176.591 174.700 -0.006 0.000 1.038 24 T CA 1.596 63.661 62.100 -0.059 0.000 1.144 24 T CB -0.241 68.641 68.868 0.024 0.000 0.866 24 T HN 0.678 nan 8.240 nan 0.000 0.434 25 A N 2.121 124.952 122.820 0.018 0.000 1.877 25 A HA -0.017 4.302 4.320 -0.001 0.000 0.216 25 A C 0.141 177.736 177.584 0.018 0.000 1.186 25 A CA 1.330 53.389 52.037 0.037 0.000 0.620 25 A CB -1.650 17.369 19.000 0.033 0.000 0.822 25 A HN 0.366 nan 8.150 nan 0.000 0.443 26 P HA -0.122 nan 4.420 nan 0.000 0.218 26 P C 1.377 178.676 177.300 -0.003 0.000 1.148 26 P CA 0.833 63.930 63.100 -0.005 0.000 0.822 26 P CB -0.138 31.552 31.700 -0.017 0.000 0.784 27 L N -1.409 119.802 121.223 -0.020 0.000 2.046 27 L HA -0.144 4.196 4.340 -0.001 0.000 0.208 27 L C 2.354 179.231 176.870 0.012 0.000 1.077 27 L CA 1.258 56.081 54.840 -0.028 0.000 0.747 27 L CB -1.121 40.888 42.059 -0.083 0.000 0.896 27 L HN -0.139 nan 8.230 nan 0.000 0.432 28 V N -0.158 119.784 119.914 0.047 0.000 2.343 28 V HA -0.261 3.859 4.120 -0.001 0.000 0.247 28 V C 2.558 178.689 176.094 0.061 0.000 1.051 28 V CA 1.571 63.932 62.300 0.102 0.000 1.036 28 V CB -0.616 31.301 31.823 0.157 0.000 0.654 28 V HN 0.422 nan 8.190 nan 0.000 0.451 29 K N -0.058 120.367 120.400 0.041 0.000 2.097 29 K HA -0.142 4.177 4.320 -0.001 0.000 0.205 29 K C 2.140 178.759 176.600 0.032 0.000 1.050 29 K CA 0.878 57.183 56.287 0.030 0.000 0.938 29 K CB -0.423 32.089 32.500 0.020 0.000 0.718 29 K HN 0.226 nan 8.250 nan 0.000 0.442 30 K N 1.486 121.905 120.400 0.032 0.000 2.057 30 K HA -0.018 4.302 4.320 -0.001 0.000 0.207 30 K C 2.036 178.668 176.600 0.053 0.000 1.049 30 K CA 1.513 57.823 56.287 0.038 0.000 0.931 30 K CB -0.469 32.049 32.500 0.030 0.000 0.714 30 K HN 0.128 nan 8.250 nan 0.000 0.440 31 A N 0.599 123.454 122.820 0.059 0.000 1.898 31 A HA -0.061 4.258 4.320 -0.001 0.000 0.216 31 A C 2.355 179.979 177.584 0.067 0.000 1.181 31 A CA 2.123 54.211 52.037 0.084 0.000 0.620 31 A CB -0.700 18.357 19.000 0.095 0.000 0.819 31 A HN 0.339 nan 8.150 nan 0.000 0.442 32 A N -0.167 122.682 122.820 0.048 0.000 1.902 32 A HA 0.173 4.492 4.320 -0.001 0.000 0.217 32 A C 2.441 180.043 177.584 0.030 0.000 1.181 32 A CA 1.994 54.049 52.037 0.030 0.000 0.623 32 A CB -0.896 18.115 19.000 0.018 0.000 0.818 32 A HN 1.061 nan 8.150 nan 0.000 0.443 33 A N -0.664 122.177 122.820 0.035 0.000 2.066 33 A HA 0.150 4.469 4.320 -0.001 0.000 0.218 33 A C 1.889 179.499 177.584 0.042 0.000 1.157 33 A CA 1.026 53.082 52.037 0.033 0.000 0.670 33 A CB -0.440 18.579 19.000 0.032 0.000 0.804 33 A HN 0.452 nan 8.150 nan 0.000 0.453 34 L N -0.726 120.532 121.223 0.058 0.000 2.599 34 L HA 0.215 4.554 4.340 -0.001 0.000 0.230 34 L C 1.383 178.290 176.870 0.061 0.000 1.141 34 L CA 0.271 55.153 54.840 0.071 0.000 0.877 34 L CB -0.910 41.213 42.059 0.106 0.000 1.009 34 L HN 0.601 nan 8.230 nan 0.000 0.447 38 A N 0.531 123.324 122.820 -0.045 0.000 2.599 38 A HA 0.764 5.083 4.320 -0.001 0.000 0.290 38 A C -2.306 175.273 177.584 -0.007 0.000 1.101 38 A CA -0.529 51.474 52.037 -0.056 0.000 0.674 38 A CB 1.596 20.544 19.000 -0.086 0.000 1.277 38 A HN 0.195 nan 8.150 nan 0.000 0.419 39 L N 0.462 121.705 121.223 0.033 0.000 3.111 39 L HA 0.565 4.904 4.340 -0.001 0.000 0.259 39 L C -0.622 176.418 176.870 0.283 0.000 0.946 39 L CA -0.050 54.878 54.840 0.147 0.000 1.119 39 L CB 0.859 43.046 42.059 0.213 0.000 1.698 39 L HN 1.507 nan 8.230 nan 0.000 0.540 40 A N 5.794 128.713 122.820 0.165 0.000 2.328 40 A HA 0.729 5.049 4.320 -0.001 0.000 0.284 40 A C -0.456 177.166 177.584 0.064 0.000 1.160 40 A CA -0.288 51.856 52.037 0.180 0.000 0.818 40 A CB 0.543 19.591 19.000 0.081 0.000 1.087 40 A HN 0.606 nan 8.150 nan 0.000 0.504 41 I N 2.498 123.036 120.570 -0.053 0.000 2.355 41 I HA 0.292 4.461 4.170 -0.001 0.000 0.288 41 I C 0.326 176.399 176.117 -0.073 0.000 0.999 41 I CA -0.119 61.046 61.300 -0.226 0.000 1.163 41 I CB 2.127 39.749 38.000 -0.629 0.000 1.316 41 I HN 0.711 nan 8.210 nan 0.000 0.454 42 T N 0.324 114.853 114.554 -0.041 0.000 3.390 42 T HA 0.328 4.678 4.350 -0.001 0.000 0.315 42 T C -0.087 174.494 174.700 -0.197 0.000 1.799 42 T CA -0.944 61.135 62.100 -0.036 0.000 1.553 42 T CB -0.306 68.587 68.868 0.042 0.000 1.002 42 T HN 0.250 nan 8.240 nan 0.000 0.715 43 D N 1.458 121.715 120.400 -0.239 0.000 2.354 43 D HA 0.094 4.733 4.640 -0.001 0.000 0.238 43 D C -0.167 175.905 176.300 -0.381 0.000 1.250 43 D CA -0.393 53.376 54.000 -0.386 0.000 0.911 43 D CB 0.463 41.178 40.800 -0.142 0.000 1.163 43 D HN 0.435 nan 8.370 nan 0.000 0.456 44 F N 1.338 121.000 119.950 -0.479 0.000 2.468 44 F HA 0.043 4.569 4.527 -0.001 0.000 0.356 44 F C 0.761 176.401 175.800 -0.268 0.000 1.167 44 F CA -0.319 57.478 58.000 -0.339 0.000 1.135 44 F CB -0.636 38.264 39.000 -0.168 0.000 1.197 44 F HN 0.330 nan 8.300 nan 0.000 0.569 45 T N 2.622 116.497 114.554 -1.132 0.000 4.093 45 T HA -0.302 4.048 4.350 -0.001 0.000 0.334 45 T C -0.607 173.917 174.700 -0.292 0.000 0.773 45 T CA 1.413 62.907 62.100 -1.010 0.000 1.900 45 T CB -2.419 65.796 68.868 -1.089 0.000 1.911 45 T HN 0.995 nan 8.240 nan 0.000 0.844 46 N N -0.769 117.825 118.700 -0.177 0.000 2.927 46 N HA 0.585 5.324 4.740 -0.001 0.000 0.248 46 N C -0.694 174.830 175.510 0.024 0.000 1.443 46 N CA -1.355 51.708 53.050 0.021 0.000 0.870 46 N CB 0.608 39.168 38.487 0.122 0.000 1.444 46 N HN 0.091 nan 8.380 nan 0.000 0.519 47 L N 0.449 121.727 121.223 0.093 0.000 3.347 47 L HA 0.312 4.652 4.340 -0.001 0.000 0.306 47 L C 0.376 177.404 176.870 0.262 0.000 1.301 47 L CA -0.433 54.525 54.840 0.197 0.000 0.985 47 L CB -0.035 42.210 42.059 0.309 0.000 1.400 47 L HN 0.720 nan 8.230 nan 0.000 0.601 48 C N 0.371 119.692 119.300 0.034 0.000 2.413 48 C HA -0.132 4.328 4.460 -0.001 0.000 0.276 48 C C 2.438 177.208 174.990 -0.368 0.000 1.248 48 C CA 1.469 60.373 59.018 -0.189 0.000 1.742 48 C CB -1.099 26.234 27.740 -0.679 0.000 2.017 48 C HN 0.770 nan 8.230 nan 0.000 0.481 49 G N -0.455 108.190 108.800 -0.259 0.000 3.181 49 G HA2 0.157 4.116 3.960 -0.001 0.000 0.219 49 G HA3 0.157 4.116 3.960 -0.001 0.000 0.219 49 G C 1.259 176.243 174.900 0.139 0.000 1.182 49 G CA 0.015 45.149 45.100 0.057 0.000 0.791 49 G HN 0.450 nan 8.290 nan 0.000 0.537 50 L N 0.491 121.796 121.223 0.136 0.000 1.994 50 L HA -0.024 4.315 4.340 -0.001 0.000 0.208 50 L C 2.831 179.766 176.870 0.109 0.000 1.071 50 L CA 1.608 56.575 54.840 0.212 0.000 0.745 50 L CB -0.452 41.752 42.059 0.241 0.000 0.892 50 L HN 0.060 nan 8.230 nan 0.000 0.431 51 V N -0.187 119.591 119.914 -0.227 0.000 2.392 51 V HA -0.336 3.784 4.120 -0.001 0.000 0.249 51 V C 2.560 178.702 176.094 0.080 0.000 1.059 51 V CA 2.157 64.355 62.300 -0.170 0.000 1.051 51 V CB -0.792 30.815 31.823 -0.361 0.000 0.658 51 V HN 0.464 nan 8.190 nan 0.000 0.455 52 K N -1.145 119.323 120.400 0.113 0.000 2.211 52 K HA -0.110 4.210 4.320 -0.001 0.000 0.203 52 K C 2.079 178.833 176.600 0.257 0.000 1.050 52 K CA 1.148 57.537 56.287 0.170 0.000 0.945 52 K CB -0.222 32.378 32.500 0.166 0.000 0.732 52 K HN 0.392 nan 8.250 nan 0.000 0.451 53 F N 0.809 120.818 119.950 0.099 0.000 2.098 53 F HA -0.151 4.376 4.527 -0.001 0.000 0.294 53 F C 1.778 177.606 175.800 0.047 0.000 1.107 53 F CA 1.045 59.089 58.000 0.072 0.000 1.234 53 F CB -0.731 38.325 39.000 0.093 0.000 1.002 53 F HN -0.049 nan 8.300 nan 0.000 0.472 54 Y N 0.482 120.773 120.300 -0.014 0.000 2.128 54 Y HA -0.120 4.429 4.550 -0.001 0.000 0.284 54 Y C 2.840 178.733 175.900 -0.012 0.000 1.154 54 Y CA 1.733 59.760 58.100 -0.122 0.000 1.149 54 Y CB -1.227 37.148 38.460 -0.142 0.000 0.976 54 Y HN 0.115 nan 8.280 nan 0.000 0.505 55 G N -0.611 108.309 108.800 0.199 0.000 2.491 55 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.218 55 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.218 55 G C 1.926 176.919 174.900 0.155 0.000 1.180 55 G CA 1.351 46.562 45.100 0.185 0.000 0.774 55 G HN 0.504 nan 8.290 nan 0.000 0.562 56 A N 0.719 123.620 122.820 0.136 0.000 1.933 56 A HA 0.175 4.494 4.320 -0.001 0.000 0.218 56 A C 2.706 180.329 177.584 0.065 0.000 1.175 56 A CA 2.108 54.211 52.037 0.110 0.000 0.628 56 A CB -1.045 18.038 19.000 0.137 0.000 0.814 56 A HN 0.572 nan 8.150 nan 0.000 0.444 57 G N -0.935 107.867 108.800 0.003 0.000 2.433 57 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.216 57 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.216 57 G C 1.427 176.294 174.900 -0.055 0.000 1.186 57 G CA 1.473 46.512 45.100 -0.101 0.000 0.779 57 G HN 0.773 nan 8.290 nan 0.000 0.543 58 H N 0.758 119.765 119.070 -0.104 0.000 2.267 58 H HA -0.107 4.448 4.556 -0.001 0.000 0.291 58 H C 2.687 177.997 175.328 -0.030 0.000 1.094 58 H CA 2.650 58.665 56.048 -0.056 0.000 1.227 58 H CB -0.764 28.990 29.762 -0.014 0.000 1.351 58 H HN 0.236 nan 8.280 nan 0.000 0.483 59 G N -0.923 107.854 108.800 -0.038 0.000 2.462 59 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.220 59 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.220 59 G C 1.523 176.368 174.900 -0.092 0.000 1.121 59 G CA 0.845 45.892 45.100 -0.088 0.000 0.758 59 G HN 0.677 nan 8.290 nan 0.000 0.559 60 A N -0.876 121.906 122.820 -0.065 0.000 2.390 60 A HA 0.533 4.852 4.320 -0.001 0.000 0.232 60 A C 1.721 179.268 177.584 -0.061 0.000 1.233 60 A CA 1.091 53.100 52.037 -0.048 0.000 0.907 60 A CB -0.039 18.953 19.000 -0.012 0.000 0.967 60 A HN 1.553 nan 8.150 nan 0.000 0.512 61 G N 0.052 108.797 108.800 -0.092 0.000 2.225 61 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.264 61 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.264 61 G C -0.263 174.594 174.900 -0.071 0.000 1.060 61 G CA 0.384 45.432 45.100 -0.086 0.000 0.833 61 G HN 0.308 nan 8.290 nan 0.000 0.498 62 I N -0.374 120.147 120.570 -0.082 0.000 2.530 62 I HA 0.455 4.624 4.170 -0.001 0.000 0.297 62 I C 0.440 176.459 176.117 -0.164 0.000 1.011 62 I CA -1.829 59.419 61.300 -0.086 0.000 1.107 62 I CB 1.817 39.793 38.000 -0.040 0.000 1.285 62 I HN 0.186 nan 8.210 nan 0.000 0.436 63 K N 6.897 127.195 120.400 -0.171 0.000 2.276 63 K HA 0.439 4.759 4.320 -0.001 0.000 0.285 63 K C -2.534 173.845 176.600 -0.368 0.000 1.062 63 K CA -1.347 54.786 56.287 -0.256 0.000 0.918 63 K CB 1.014 33.408 32.500 -0.176 0.000 1.055 63 K HN 0.217 nan 8.250 nan 0.000 0.477 64 P HA 0.132 nan 4.420 nan 0.000 0.276 64 P C -0.828 176.197 177.300 -0.459 0.000 1.230 64 P CA -0.018 62.471 63.100 -1.018 0.000 0.776 64 P CB 0.613 31.178 31.700 -1.891 0.000 0.888 65 I N 2.926 123.419 120.570 -0.129 0.000 2.354 65 I HA 0.177 4.347 4.170 -0.001 0.000 0.286 65 I C -0.157 176.081 176.117 0.203 0.000 1.007 65 I CA -1.048 60.270 61.300 0.031 0.000 1.167 65 I CB 1.455 39.474 38.000 0.033 0.000 1.320 65 I HN -0.007 nan 8.210 nan 0.000 0.458 66 V N 5.853 125.868 119.914 0.169 0.000 2.572 66 V HA 0.646 4.765 4.120 -0.001 0.000 0.291 66 V C 0.797 177.004 176.094 0.188 0.000 1.039 66 V CA 0.123 62.556 62.300 0.221 0.000 1.055 66 V CB 0.601 32.509 31.823 0.142 0.000 0.969 66 V HN 0.985 nan 8.190 nan 0.000 0.482 67 G N 2.579 111.493 108.800 0.190 0.000 2.495 67 G HA2 0.817 4.777 3.960 -0.001 0.000 0.294 67 G HA3 0.817 4.777 3.960 -0.001 0.000 0.294 67 G C -1.425 173.542 174.900 0.112 0.000 1.397 67 G CA -0.029 45.167 45.100 0.161 0.000 0.790 67 G HN 1.185 nan 8.290 nan 0.000 0.486 68 A N -0.188 122.688 122.820 0.093 0.000 2.612 68 A HA 0.758 5.078 4.320 -0.001 0.000 0.293 68 A C -1.681 175.834 177.584 -0.115 0.000 1.075 68 A CA -0.627 51.354 52.037 -0.094 0.000 0.680 68 A CB 1.819 20.672 19.000 -0.243 0.000 1.279 68 A HN 0.506 nan 8.150 nan 0.000 0.411 69 D N -0.300 119.939 120.400 -0.269 0.000 2.340 69 D HA 0.792 5.431 4.640 -0.001 0.000 0.251 69 D C -1.139 174.862 176.300 -0.498 0.000 1.080 69 D CA 0.594 54.520 54.000 -0.123 0.000 0.971 69 D CB 0.979 41.848 40.800 0.115 0.000 1.137 69 D HN 0.287 nan 8.370 nan 0.000 0.475 70 F N 0.216 120.131 119.950 -0.059 0.000 2.619 70 F HA 0.249 4.775 4.527 -0.001 0.000 0.308 70 F C 0.081 175.897 175.800 0.026 0.000 1.097 70 F CA -1.054 56.854 58.000 -0.154 0.000 0.953 70 F CB 1.518 40.460 39.000 -0.097 0.000 1.287 70 F HN -0.045 nan 8.300 nan 0.000 0.446 71 N N 1.586 120.440 118.700 0.256 0.000 2.455 71 N HA 0.546 5.286 4.740 -0.001 0.000 0.280 71 N C -1.087 174.506 175.510 0.139 0.000 1.055 71 N CA -0.283 52.915 53.050 0.246 0.000 0.961 71 N CB 1.818 40.462 38.487 0.262 0.000 1.121 71 N HN 0.467 nan 8.380 nan 0.000 0.476 72 V N 0.113 120.090 119.914 0.104 0.000 2.769 72 V HA 0.655 4.774 4.120 -0.001 0.000 0.312 72 V C -0.701 175.364 176.094 -0.049 0.000 1.061 72 V CA -0.813 61.481 62.300 -0.010 0.000 0.931 72 V CB 2.112 33.935 31.823 0.000 0.000 1.010 72 V HN 0.645 nan 8.190 nan 0.000 0.433 73 Q N 3.215 122.927 119.800 -0.145 0.000 2.285 73 Q HA 0.700 5.039 4.340 -0.001 0.000 0.269 73 Q C -1.229 174.652 176.000 -0.199 0.000 1.030 73 Q CA -0.505 55.211 55.803 -0.145 0.000 0.788 73 Q CB 2.153 30.799 28.738 -0.153 0.000 1.266 73 Q HN 1.412 nan 8.270 nan 0.000 0.438 74 C N 1.606 120.813 119.300 -0.156 0.000 3.086 74 C HA 0.490 4.950 4.460 -0.001 0.000 0.311 74 C C 1.035 175.952 174.990 -0.122 0.000 1.260 74 C CA -0.543 58.368 59.018 -0.179 0.000 1.426 74 C CB 1.592 29.187 27.740 -0.241 0.000 1.826 74 C HN 0.977 nan 8.230 nan 0.000 0.474 75 D N 0.958 121.291 120.400 -0.112 0.000 2.149 75 D HA -0.159 4.481 4.640 -0.001 0.000 0.194 75 D C 1.974 178.238 176.300 -0.060 0.000 1.001 75 D CA 1.672 55.628 54.000 -0.073 0.000 0.849 75 D CB -0.018 40.746 40.800 -0.061 0.000 0.939 75 D HN 0.694 nan 8.370 nan 0.000 0.449 76 L N 0.203 121.382 121.223 -0.073 0.000 2.081 76 L HA -0.159 4.181 4.340 -0.001 0.000 0.212 76 L C 2.301 179.149 176.870 -0.036 0.000 1.080 76 L CA 0.846 55.655 54.840 -0.052 0.000 0.754 76 L CB -0.188 41.834 42.059 -0.062 0.000 0.893 76 L HN 0.073 nan 8.230 nan 0.000 0.433 77 L N -1.512 119.686 121.223 -0.042 0.000 2.640 77 L HA 0.231 4.570 4.340 -0.001 0.000 0.230 77 L C 1.297 178.153 176.870 -0.023 0.000 1.123 77 L CA 0.381 55.205 54.840 -0.026 0.000 0.900 77 L CB 0.070 42.116 42.059 -0.022 0.000 1.146 77 L HN 0.460 nan 8.230 nan 0.000 0.484 78 G N 1.108 109.890 108.800 -0.030 0.000 2.527 78 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.262 78 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.262 78 G C 0.168 175.053 174.900 -0.024 0.000 1.153 78 G CA 0.219 45.305 45.100 -0.023 0.000 0.954 78 G HN 0.229 nan 8.290 nan 0.000 0.552 79 D N 1.683 122.075 120.400 -0.013 0.000 2.350 79 D HA 0.154 4.794 4.640 -0.001 0.000 0.213 79 D C 1.000 177.299 176.300 -0.002 0.000 1.031 79 D CA 0.339 54.335 54.000 -0.007 0.000 0.861 79 D CB 0.212 41.013 40.800 0.002 0.000 0.926 79 D HN 0.510 nan 8.370 nan 0.000 0.520 80 E N 1.269 121.466 120.200 -0.005 0.000 2.351 80 E HA 0.094 4.444 4.350 -0.001 0.000 0.266 80 E C -0.173 176.429 176.600 0.003 0.000 1.031 80 E CA -0.008 56.391 56.400 -0.001 0.000 0.911 80 E CB 0.586 30.282 29.700 -0.007 0.000 0.986 80 E HN 0.155 nan 8.360 nan 0.000 0.446 81 L N 3.679 124.916 121.223 0.023 0.000 2.334 81 L HA 0.325 4.664 4.340 -0.001 0.000 0.277 81 L C 0.649 177.563 176.870 0.074 0.000 1.075 81 L CA -0.456 54.413 54.840 0.050 0.000 0.804 81 L CB 1.337 43.447 42.059 0.085 0.000 1.174 81 L HN 0.558 nan 8.230 nan 0.000 0.438 82 T N -2.332 112.283 114.554 0.102 0.000 2.930 82 T HA 0.440 4.790 4.350 -0.001 0.000 0.290 82 T C -0.497 174.375 174.700 0.287 0.000 1.052 82 T CA -0.884 61.285 62.100 0.115 0.000 1.017 82 T CB 1.329 70.228 68.868 0.053 0.000 1.137 82 T HN 0.455 nan 8.240 nan 0.000 0.511 83 H N 0.203 119.312 119.070 0.066 0.000 2.473 83 H HA 0.624 5.180 4.556 -0.001 0.000 0.327 83 H C -0.704 174.691 175.328 0.112 0.000 1.105 83 H CA -0.946 55.166 56.048 0.106 0.000 1.280 83 H CB 1.341 31.148 29.762 0.076 0.000 1.450 83 H HN 0.215 nan 8.280 nan 0.000 0.492 84 L N 1.952 123.332 121.223 0.262 0.000 2.371 84 L HA 0.357 4.697 4.340 -0.001 0.000 0.262 84 L C -0.635 176.369 176.870 0.223 0.000 1.006 84 L CA -0.605 54.358 54.840 0.206 0.000 0.818 84 L CB 2.720 44.884 42.059 0.176 0.000 1.354 84 L HN 0.636 nan 8.230 nan 0.000 0.415 85 T N 1.995 116.647 114.554 0.165 0.000 2.792 85 T HA 0.520 4.870 4.350 -0.001 0.000 0.280 85 T C -0.564 174.230 174.700 0.155 0.000 0.990 85 T CA -0.353 61.848 62.100 0.168 0.000 0.960 85 T CB 1.918 70.852 68.868 0.110 0.000 0.939 85 T HN 0.210 nan 8.240 nan 0.000 0.439 86 V N 5.054 125.104 119.914 0.226 0.000 2.417 86 V HA 0.504 4.624 4.120 -0.001 0.000 0.291 86 V C -0.215 175.983 176.094 0.174 0.000 1.024 86 V CA -0.851 61.561 62.300 0.187 0.000 0.861 86 V CB 1.259 33.216 31.823 0.224 0.000 0.985 86 V HN 0.718 nan 8.190 nan 0.000 0.436 87 L N 3.517 124.817 121.223 0.128 0.000 2.331 87 L HA 0.803 5.142 4.340 -0.001 0.000 0.275 87 L C 0.418 177.374 176.870 0.144 0.000 1.022 87 L CA -0.781 54.131 54.840 0.119 0.000 0.812 87 L CB 1.838 43.933 42.059 0.060 0.000 1.257 87 L HN 0.699 nan 8.230 nan 0.000 0.435 88 A N 1.362 124.273 122.820 0.152 0.000 2.294 88 A HA 0.583 4.903 4.320 -0.001 0.000 0.316 88 A C 0.788 178.443 177.584 0.119 0.000 1.359 88 A CA -0.045 52.091 52.037 0.164 0.000 0.956 88 A CB 0.915 20.042 19.000 0.211 0.000 1.155 88 A HN 0.924 nan 8.150 nan 0.000 0.544 89 A N 3.126 126.015 122.820 0.114 0.000 1.970 89 A HA 0.080 4.400 4.320 -0.001 0.000 0.216 89 A C 0.966 178.594 177.584 0.074 0.000 1.170 89 A CA 1.232 53.319 52.037 0.084 0.000 0.645 89 A CB -0.349 18.706 19.000 0.091 0.000 0.816 89 A HN 0.965 nan 8.150 nan 0.000 0.447 90 N N -3.229 115.525 118.700 0.091 0.000 3.316 90 N HA 0.190 4.929 4.740 -0.001 0.000 0.300 90 N C -0.324 175.252 175.510 0.110 0.000 1.567 90 N CA -0.488 52.610 53.050 0.080 0.000 0.821 90 N CB 0.331 38.856 38.487 0.064 0.000 1.748 90 N HN -0.087 nan 8.380 nan 0.000 0.603 91 N N -0.408 118.349 118.700 0.095 0.000 2.331 91 N HA -0.039 4.701 4.740 -0.001 0.000 0.180 91 N C 1.178 176.749 175.510 0.102 0.000 1.019 91 N CA 1.437 54.566 53.050 0.131 0.000 0.881 91 N CB -0.092 38.451 38.487 0.093 0.000 0.972 91 N HN 0.455 nan 8.380 nan 0.000 0.435 92 T N -0.797 113.794 114.554 0.063 0.000 2.759 92 T HA -0.102 4.247 4.350 -0.001 0.000 0.269 92 T C 1.913 176.650 174.700 0.060 0.000 1.042 92 T CA 1.408 63.530 62.100 0.037 0.000 1.140 92 T CB -0.672 68.214 68.868 0.030 0.000 0.864 92 T HN 0.430 nan 8.240 nan 0.000 0.455 93 G N 0.066 108.930 108.800 0.106 0.000 2.404 93 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.215 93 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.215 93 G C 1.372 176.379 174.900 0.179 0.000 1.174 93 G CA 0.535 45.719 45.100 0.139 0.000 0.780 93 G HN 0.482 nan 8.290 nan 0.000 0.537 94 Y N 1.534 121.865 120.300 0.051 0.000 2.193 94 Y HA -0.187 4.362 4.550 -0.001 0.000 0.285 94 Y C 2.845 178.760 175.900 0.024 0.000 1.166 94 Y CA 1.877 60.006 58.100 0.048 0.000 1.181 94 Y CB -0.287 38.188 38.460 0.025 0.000 0.976 94 Y HN 0.170 nan 8.280 nan 0.000 0.520 95 Q N 0.227 119.954 119.800 -0.120 0.000 2.046 95 Q HA -0.153 4.187 4.340 -0.001 0.000 0.200 95 Q C 2.036 177.960 176.000 -0.126 0.000 0.975 95 Q CA 1.459 57.117 55.803 -0.241 0.000 0.836 95 Q CB -0.713 27.912 28.738 -0.188 0.000 0.896 95 Q HN 0.537 nan 8.270 nan 0.000 0.428 96 N N 0.880 119.561 118.700 -0.031 0.000 2.084 96 N HA -0.142 4.598 4.740 -0.001 0.000 0.190 96 N C 1.867 177.399 175.510 0.036 0.000 1.030 96 N CA 0.704 53.757 53.050 0.005 0.000 0.849 96 N CB -0.385 38.130 38.487 0.047 0.000 1.012 96 N HN 0.136 nan 8.380 nan 0.000 0.423 97 L N 1.530 122.806 121.223 0.088 0.000 2.043 97 L HA -0.135 4.205 4.340 -0.001 0.000 0.212 97 L C 1.992 178.940 176.870 0.130 0.000 1.075 97 L CA 1.794 56.728 54.840 0.156 0.000 0.752 97 L CB -1.248 40.954 42.059 0.237 0.000 0.891 97 L HN 0.084 nan 8.230 nan 0.000 0.432 98 T N -0.323 114.236 114.554 0.008 0.000 2.788 98 T HA -0.123 4.227 4.350 -0.001 0.000 0.268 98 T C 1.804 176.488 174.700 -0.027 0.000 1.044 98 T CA 1.389 63.456 62.100 -0.056 0.000 1.139 98 T CB -0.212 68.497 68.868 -0.265 0.000 0.867 98 T HN 0.141 nan 8.240 nan 0.000 0.454 99 L N 0.646 121.843 121.223 -0.044 0.000 2.056 99 L HA 0.119 4.459 4.340 -0.001 0.000 0.207 99 L C 2.251 179.111 176.870 -0.017 0.000 1.078 99 L CA 1.207 56.017 54.840 -0.051 0.000 0.749 99 L CB -1.288 40.726 42.059 -0.075 0.000 0.901 99 L HN 0.276 nan 8.230 nan 0.000 0.433 100 L N -0.829 120.413 121.223 0.031 0.000 1.941 100 L HA -0.338 4.001 4.340 -0.001 0.000 0.224 100 L C 2.489 179.473 176.870 0.191 0.000 1.081 100 L CA 1.906 56.792 54.840 0.077 0.000 0.784 100 L CB -0.415 41.642 42.059 -0.003 0.000 0.894 100 L HN 0.194 nan 8.230 nan 0.000 0.436 101 I N -0.774 119.981 120.570 0.308 0.000 2.185 101 I HA -0.381 3.788 4.170 -0.001 0.000 0.246 101 I C 2.505 178.783 176.117 0.269 0.000 1.088 101 I CA 1.617 63.128 61.300 0.352 0.000 1.347 101 I CB -0.351 37.812 38.000 0.272 0.000 1.041 101 I HN 0.274 nan 8.210 nan 0.000 0.415 102 S N -0.158 115.638 115.700 0.161 0.000 2.423 102 S HA -0.160 4.310 4.470 -0.001 0.000 0.231 102 S C 1.962 176.619 174.600 0.095 0.000 1.014 102 S CA 1.004 59.280 58.200 0.127 0.000 0.965 102 S CB -0.114 63.105 63.200 0.031 0.000 0.785 102 S HN 0.374 nan 8.310 nan 0.000 0.495 103 K N 1.265 121.680 120.400 0.024 0.000 2.116 103 K HA 0.086 4.405 4.320 -0.001 0.000 0.203 103 K C 2.283 178.945 176.600 0.103 0.000 1.052 103 K CA 0.854 57.057 56.287 -0.140 0.000 0.952 103 K CB -0.255 31.945 32.500 -0.500 0.000 0.729 103 K HN 0.284 nan 8.250 nan 0.000 0.446 104 A N 0.335 123.336 122.820 0.302 0.000 1.883 104 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 104 A C 1.939 179.575 177.584 0.086 0.000 1.186 104 A CA 1.388 53.589 52.037 0.272 0.000 0.624 104 A CB -0.949 18.104 19.000 0.088 0.000 0.822 104 A HN 0.418 nan 8.150 nan 0.000 0.444 105 Y N -0.369 120.016 120.300 0.143 0.000 2.242 105 Y HA -0.184 4.365 4.550 -0.001 0.000 0.291 105 Y C 2.750 178.733 175.900 0.139 0.000 1.137 105 Y CA 1.682 59.852 58.100 0.117 0.000 1.181 105 Y CB -0.113 38.353 38.460 0.011 0.000 0.989 105 Y HN 0.394 nan 8.280 nan 0.000 0.527 106 Q N -0.458 119.479 119.800 0.229 0.000 2.297 106 Q HA -0.137 4.202 4.340 -0.001 0.000 0.204 106 Q C 2.180 178.251 176.000 0.117 0.000 0.962 106 Q CA 0.479 56.362 55.803 0.133 0.000 0.879 106 Q CB 0.020 28.790 28.738 0.054 0.000 0.947 106 Q HN 0.272 nan 8.270 nan 0.000 0.462 107 R N 0.408 121.007 120.500 0.166 0.000 2.236 107 R HA -0.002 4.337 4.340 -0.001 0.000 0.208 107 R C 0.305 176.692 176.300 0.146 0.000 1.036 107 R CA 1.012 57.216 56.100 0.172 0.000 1.001 107 R CB -0.033 30.446 30.300 0.298 0.000 0.896 107 R HN 0.286 nan 8.270 nan 0.000 0.464 108 G N -0.203 108.698 108.800 0.169 0.000 2.828 108 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.463 108 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.463 108 G C -0.913 174.089 174.900 0.170 0.000 1.394 108 G CA -0.067 45.059 45.100 0.044 0.000 0.862 108 G HN 0.451 nan 8.290 nan 0.000 0.540 109 Y N -3.950 116.384 120.300 0.057 0.000 2.814 109 Y HA 0.729 5.279 4.550 -0.001 0.000 0.348 109 Y C 0.547 176.483 175.900 0.061 0.000 1.245 109 Y CA -0.376 57.755 58.100 0.051 0.000 1.086 109 Y CB 0.050 38.532 38.460 0.037 0.000 1.373 109 Y HN 1.638 nan 8.280 nan 0.000 0.451 110 G N -0.074 108.879 108.800 0.256 0.000 3.122 110 G HA2 0.522 4.482 3.960 -0.001 0.000 0.180 110 G HA3 0.522 4.482 3.960 -0.001 0.000 0.180 110 G C 0.580 175.619 174.900 0.233 0.000 1.279 110 G CA -0.622 44.577 45.100 0.166 0.000 0.987 110 G HN 1.253 nan 8.290 nan 0.000 0.589 111 A N -0.638 122.278 122.820 0.159 0.000 1.978 111 A HA 0.176 4.496 4.320 -0.001 0.000 0.220 111 A C 2.560 180.248 177.584 0.173 0.000 1.170 111 A CA 2.544 54.675 52.037 0.157 0.000 0.636 111 A CB -0.837 18.231 19.000 0.112 0.000 0.810 111 A HN 1.326 nan 8.150 nan 0.000 0.448 112 A N -1.340 121.576 122.820 0.161 0.000 2.121 112 A HA 0.405 4.725 4.320 -0.001 0.000 0.218 112 A C 1.598 179.272 177.584 0.150 0.000 1.154 112 A CA 1.511 53.632 52.037 0.141 0.000 0.679 112 A CB -1.140 17.929 19.000 0.116 0.000 0.795 112 A HN 2.203 nan 8.150 nan 0.000 0.458 113 G N -1.400 107.514 108.800 0.189 0.000 2.746 113 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.685 113 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.685 113 G C -2.938 171.901 174.900 -0.101 0.000 1.350 113 G CA -0.471 44.656 45.100 0.044 0.000 0.837 113 G HN 0.345 nan 8.290 nan 0.000 0.564 114 P HA 0.484 nan 4.420 nan 0.000 0.267 114 P C -0.132 177.074 177.300 -0.157 0.000 1.200 114 P CA 0.288 63.106 63.100 -0.470 0.000 0.772 114 P CB 0.675 31.740 31.700 -1.058 0.000 0.855 115 I N 2.236 122.763 120.570 -0.071 0.000 2.865 115 I HA 0.446 4.616 4.170 -0.001 0.000 0.302 115 I C 0.363 176.412 176.117 -0.113 0.000 1.140 115 I CA -1.290 59.983 61.300 -0.045 0.000 1.021 115 I CB 2.227 40.199 38.000 -0.046 0.000 1.233 115 I HN 0.280 nan 8.210 nan 0.000 0.427 116 I N -0.739 119.712 120.570 -0.198 0.000 2.562 116 I HA 0.605 4.774 4.170 -0.001 0.000 0.301 116 I C -1.106 174.518 176.117 -0.822 0.000 1.003 116 I CA -0.690 60.274 61.300 -0.560 0.000 1.127 116 I CB 1.509 39.348 38.000 -0.269 0.000 1.304 116 I HN 0.288 nan 8.210 nan 0.000 0.446 117 D N 4.017 123.452 120.400 -1.609 0.000 2.308 117 D HA 0.154 4.794 4.640 -0.001 0.000 0.251 117 D C 1.025 176.908 176.300 -0.695 0.000 1.127 117 D CA -0.190 53.144 54.000 -1.111 0.000 0.876 117 D CB 1.715 41.708 40.800 -1.345 0.000 1.176 117 D HN 0.617 nan 8.370 nan 0.000 0.446 118 R N 1.928 122.170 120.500 -0.431 0.000 2.119 118 R HA -0.227 4.112 4.340 -0.001 0.000 0.246 118 R C 0.565 176.725 176.300 -0.232 0.000 1.146 118 R CA 1.685 57.579 56.100 -0.342 0.000 0.962 118 R CB 0.079 30.083 30.300 -0.494 0.000 0.863 118 R HN 0.345 nan 8.270 nan 0.000 0.442 119 D N -0.647 119.623 120.400 -0.217 0.000 2.265 119 D HA -0.175 4.465 4.640 -0.001 0.000 0.208 119 D C 1.346 177.784 176.300 0.230 0.000 0.977 119 D CA 0.858 54.872 54.000 0.024 0.000 0.871 119 D CB -0.253 40.563 40.800 0.026 0.000 0.925 119 D HN 0.375 nan 8.370 nan 0.000 0.485 120 W N 0.694 121.979 121.300 -0.026 0.000 2.350 120 W HA -0.035 4.625 4.660 -0.001 0.000 0.289 120 W C 1.794 178.320 176.519 0.011 0.000 1.215 120 W CA 0.258 57.589 57.345 -0.024 0.000 1.236 120 W CB -1.143 28.285 29.460 -0.053 0.000 1.130 120 W HN 0.076 nan 8.180 nan 0.000 0.541 121 L N -0.171 121.232 121.223 0.300 0.000 2.633 121 L HA -0.123 4.217 4.340 -0.001 0.000 0.235 121 L C 1.829 178.835 176.870 0.226 0.000 1.163 121 L CA 0.463 55.514 54.840 0.351 0.000 0.859 121 L CB -0.597 41.766 42.059 0.506 0.000 0.973 121 L HN -0.032 nan 8.230 nan 0.000 0.451 122 I N -1.000 119.607 120.570 0.060 0.000 2.429 122 I HA -0.139 4.030 4.170 -0.001 0.000 0.247 122 I C 2.336 178.369 176.117 -0.141 0.000 1.099 122 I CA 0.676 61.823 61.300 -0.254 0.000 1.422 122 I CB 0.129 37.953 38.000 -0.294 0.000 1.112 122 I HN 0.119 nan 8.210 nan 0.000 0.430 123 E N 0.473 120.649 120.200 -0.040 0.000 2.112 123 E HA 0.003 4.352 4.350 -0.001 0.000 0.190 123 E C 0.287 176.873 176.600 -0.023 0.000 0.979 123 E CA 0.689 57.066 56.400 -0.039 0.000 0.814 123 E CB 0.252 29.929 29.700 -0.038 0.000 0.762 123 E HN 0.036 nan 8.360 nan 0.000 0.460 124 L N 1.424 122.661 121.223 0.023 0.000 2.407 124 L HA 0.286 4.626 4.340 -0.001 0.000 0.261 124 L C 0.192 177.130 176.870 0.113 0.000 1.108 124 L CA 0.366 55.235 54.840 0.048 0.000 0.995 124 L CB 0.098 42.189 42.059 0.054 0.000 1.349 124 L HN 0.065 nan 8.230 nan 0.000 0.423 125 N N -0.312 118.428 118.700 0.066 0.000 2.802 125 N HA 0.094 4.834 4.740 -0.001 0.000 0.254 125 N C 0.120 175.681 175.510 0.084 0.000 1.012 125 N CA -0.152 52.929 53.050 0.051 0.000 0.986 125 N CB 0.644 39.013 38.487 -0.196 0.000 1.711 125 N HN 0.257 nan 8.380 nan 0.000 0.581 126 E N 0.424 120.636 120.200 0.021 0.000 2.452 126 E HA 0.172 4.521 4.350 -0.001 0.000 0.261 126 E C 0.462 177.119 176.600 0.096 0.000 0.987 126 E CA 1.302 57.723 56.400 0.035 0.000 0.926 126 E CB 0.542 30.247 29.700 0.008 0.000 0.934 126 E HN 0.676 nan 8.360 nan 0.000 0.452 127 G N 2.629 111.500 108.800 0.117 0.000 2.157 127 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.248 127 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.248 127 G C 0.160 175.163 174.900 0.172 0.000 0.979 127 G CA 0.114 45.290 45.100 0.128 0.000 0.650 127 G HN 0.371 nan 8.290 nan 0.000 0.529 128 L N 0.509 121.876 121.223 0.240 0.000 2.331 128 L HA 0.729 5.068 4.340 -0.001 0.000 0.275 128 L C 0.524 177.569 176.870 0.293 0.000 1.022 128 L CA -1.131 53.867 54.840 0.265 0.000 0.812 128 L CB 1.666 43.918 42.059 0.322 0.000 1.257 128 L HN 0.017 nan 8.230 nan 0.000 0.435 129 I N 3.405 124.099 120.570 0.207 0.000 2.433 129 I HA 0.410 4.579 4.170 -0.001 0.000 0.292 129 I C -0.639 175.554 176.117 0.126 0.000 1.001 129 I CA -0.538 60.889 61.300 0.211 0.000 1.119 129 I CB 1.978 40.080 38.000 0.170 0.000 1.289 129 I HN 0.352 nan 8.210 nan 0.000 0.438 130 L N 6.627 127.919 121.223 0.115 0.000 2.329 130 L HA 0.591 4.930 4.340 -0.001 0.000 0.279 130 L C -0.686 176.203 176.870 0.032 0.000 1.014 130 L CA -0.741 54.117 54.840 0.031 0.000 0.814 130 L CB 1.713 43.734 42.059 -0.063 0.000 1.257 130 L HN 0.379 nan 8.230 nan 0.000 0.424 131 L N 1.324 122.539 121.223 -0.013 0.000 2.317 131 L HA 0.346 4.686 4.340 -0.001 0.000 0.281 131 L C 1.319 178.127 176.870 -0.104 0.000 1.024 131 L CA -0.415 54.379 54.840 -0.077 0.000 0.810 131 L CB 1.936 43.973 42.059 -0.037 0.000 1.240 131 L HN 0.805 nan 8.230 nan 0.000 0.427 132 S N 1.153 116.722 115.700 -0.220 0.000 2.383 132 S HA -0.095 4.375 4.470 -0.001 0.000 0.229 132 S C 1.339 175.948 174.600 0.015 0.000 1.030 132 S CA 0.969 59.085 58.200 -0.139 0.000 1.002 132 S CB -0.282 62.854 63.200 -0.108 0.000 0.829 132 S HN 1.200 nan 8.310 nan 0.000 0.467 133 G N 0.205 109.016 108.800 0.019 0.000 2.168 133 G HA2 0.301 4.260 3.960 -0.001 0.000 0.197 133 G HA3 0.301 4.260 3.960 -0.001 0.000 0.197 133 G C 1.156 176.009 174.900 -0.078 0.000 0.997 133 G CA 0.349 45.479 45.100 0.049 0.000 0.658 133 G HN 1.650 nan 8.290 nan 0.000 0.513 134 G N 0.948 109.666 108.800 -0.138 0.000 2.594 134 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.297 134 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.297 134 G C 0.767 175.000 174.900 -1.112 0.000 1.273 134 G CA 1.805 46.611 45.100 -0.489 0.000 0.974 134 G HN 1.926 nan 8.290 nan 0.000 0.552 138 D N -0.890 119.565 120.400 0.092 0.000 2.600 138 D HA -0.247 4.392 4.640 -0.001 0.000 0.194 138 D C 2.500 178.880 176.300 0.133 0.000 1.040 138 D CA 2.839 56.916 54.000 0.129 0.000 0.871 138 D CB 0.130 41.088 40.800 0.263 0.000 0.973 138 D HN 0.223 nan 8.370 nan 0.000 0.470 139 V N -0.655 119.372 119.914 0.189 0.000 2.649 139 V HA 0.032 4.152 4.120 -0.001 0.000 0.248 139 V C 2.279 178.488 176.094 0.193 0.000 1.054 139 V CA 1.658 64.086 62.300 0.213 0.000 1.073 139 V CB -0.325 31.677 31.823 0.299 0.000 0.699 139 V HN 0.383 nan 8.190 nan 0.000 0.463 140 G N -0.432 108.440 108.800 0.121 0.000 2.394 140 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.215 140 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.215 140 G C 1.756 176.681 174.900 0.042 0.000 1.165 140 G CA 0.175 45.308 45.100 0.055 0.000 0.784 140 G HN 0.243 nan 8.290 nan 0.000 0.535 141 R N 0.808 121.302 120.500 -0.010 0.000 2.092 141 R HA -0.018 4.321 4.340 -0.001 0.000 0.231 141 R C 2.874 179.194 176.300 0.034 0.000 1.119 141 R CA 1.397 57.492 56.100 -0.008 0.000 0.970 141 R CB -0.576 29.708 30.300 -0.028 0.000 0.864 141 R HN 0.390 nan 8.270 nan 0.000 0.440 142 S N 1.204 116.938 115.700 0.056 0.000 2.406 142 S HA -0.020 4.449 4.470 -0.001 0.000 0.228 142 S C 2.118 176.764 174.600 0.075 0.000 1.020 142 S CA 0.598 58.835 58.200 0.061 0.000 0.965 142 S CB -0.138 63.103 63.200 0.068 0.000 0.798 142 S HN 0.192 nan 8.310 nan 0.000 0.488 143 L N 0.733 122.023 121.223 0.111 0.000 2.046 143 L HA -0.092 4.248 4.340 -0.001 0.000 0.208 143 L C 2.167 179.094 176.870 0.094 0.000 1.077 143 L CA 0.731 55.638 54.840 0.113 0.000 0.747 143 L CB -0.486 41.675 42.059 0.170 0.000 0.896 143 L HN 0.262 nan 8.230 nan 0.000 0.432 144 L N -0.340 120.944 121.223 0.102 0.000 2.079 144 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 144 L C 2.679 179.578 176.870 0.049 0.000 1.081 144 L CA 1.612 56.498 54.840 0.076 0.000 0.752 144 L CB -0.909 41.187 42.059 0.061 0.000 0.896 144 L HN 0.168 nan 8.230 nan 0.000 0.433 145 R N -0.924 119.601 120.500 0.042 0.000 2.070 145 R HA -0.045 4.294 4.340 -0.001 0.000 0.232 145 R C 1.417 177.735 176.300 0.030 0.000 1.138 145 R CA 1.360 57.478 56.100 0.031 0.000 0.936 145 R CB -0.423 29.893 30.300 0.027 0.000 0.839 145 R HN 0.497 nan 8.270 nan 0.000 0.429 146 G N 0.125 108.945 108.800 0.034 0.000 2.159 146 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.170 146 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.170 146 G C -0.344 174.571 174.900 0.026 0.000 1.007 146 G CA -0.148 44.969 45.100 0.028 0.000 0.672 146 G HN 0.283 nan 8.290 nan 0.000 0.507 147 N N 1.638 120.355 118.700 0.029 0.000 2.968 147 N HA 0.400 5.140 4.740 -0.001 0.000 0.271 147 N C 1.708 177.236 175.510 0.030 0.000 1.174 147 N CA 0.564 53.629 53.050 0.026 0.000 1.096 147 N CB 0.255 38.756 38.487 0.024 0.000 1.403 147 N HN 0.230 nan 8.380 nan 0.000 0.522 148 S N 1.383 117.099 115.700 0.026 0.000 2.372 148 S HA -0.288 4.181 4.470 -0.001 0.000 0.227 148 S C 2.001 176.618 174.600 0.030 0.000 1.044 148 S CA 1.581 59.798 58.200 0.027 0.000 1.050 148 S CB -0.435 62.777 63.200 0.020 0.000 0.901 148 S HN 0.671 nan 8.310 nan 0.000 0.447 149 A N 1.949 124.784 122.820 0.024 0.000 1.859 149 A HA -0.111 4.208 4.320 -0.001 0.000 0.217 149 A C 2.179 179.780 177.584 0.028 0.000 1.198 149 A CA 1.768 53.819 52.037 0.023 0.000 0.629 149 A CB -0.988 18.022 19.000 0.017 0.000 0.830 149 A HN 0.382 nan 8.150 nan 0.000 0.446 150 L N 0.162 121.402 121.223 0.028 0.000 2.012 150 L HA -0.154 4.186 4.340 -0.001 0.000 0.210 150 L C 2.554 179.453 176.870 0.047 0.000 1.073 150 L CA 2.066 56.924 54.840 0.030 0.000 0.748 150 L CB -0.976 41.099 42.059 0.026 0.000 0.891 150 L HN 0.219 nan 8.230 nan 0.000 0.431 151 V N 0.031 119.981 119.914 0.059 0.000 2.250 151 V HA -0.404 3.716 4.120 -0.001 0.000 0.253 151 V C 2.378 178.523 176.094 0.085 0.000 1.065 151 V CA 2.201 64.551 62.300 0.083 0.000 1.039 151 V CB -0.857 31.015 31.823 0.080 0.000 0.647 151 V HN 0.450 nan 8.190 nan 0.000 0.446 152 D N -0.271 120.166 120.400 0.062 0.000 2.117 152 D HA -0.155 4.485 4.640 -0.001 0.000 0.197 152 D C 2.251 178.583 176.300 0.053 0.000 0.987 152 D CA 1.490 55.524 54.000 0.055 0.000 0.829 152 D CB -0.241 40.582 40.800 0.037 0.000 0.961 152 D HN 0.658 nan 8.370 nan 0.000 0.460 153 E N -0.192 120.034 120.200 0.043 0.000 2.204 153 E HA -0.094 4.255 4.350 -0.001 0.000 0.194 153 E C 2.228 178.853 176.600 0.042 0.000 0.989 153 E CA 0.363 56.784 56.400 0.035 0.000 0.824 153 E CB -0.048 29.664 29.700 0.020 0.000 0.756 153 E HN 0.269 nan 8.360 nan 0.000 0.477 154 C N 0.552 119.886 119.300 0.055 0.000 2.508 154 C HA -0.065 4.394 4.460 -0.001 0.000 0.280 154 C C 2.785 177.851 174.990 0.128 0.000 1.262 154 C CA 0.226 59.286 59.018 0.071 0.000 1.706 154 C CB -0.633 27.192 27.740 0.141 0.000 2.078 154 C HN 0.247 nan 8.230 nan 0.000 0.480 155 V N 1.667 121.685 119.914 0.173 0.000 2.380 155 V HA -0.266 3.854 4.120 -0.001 0.000 0.251 155 V C 2.681 178.844 176.094 0.115 0.000 1.063 155 V CA 2.260 64.677 62.300 0.195 0.000 1.055 155 V CB -1.300 30.617 31.823 0.157 0.000 0.657 155 V HN 0.625 nan 8.190 nan 0.000 0.455 156 A N -0.440 122.421 122.820 0.068 0.000 1.908 156 A HA -0.291 4.028 4.320 -0.001 0.000 0.218 156 A C 2.114 179.686 177.584 -0.020 0.000 1.181 156 A CA 2.258 54.306 52.037 0.019 0.000 0.627 156 A CB -0.782 18.229 19.000 0.018 0.000 0.818 156 A HN 0.557 nan 8.150 nan 0.000 0.445 157 F N -0.428 119.423 119.950 -0.165 0.000 2.095 157 F HA -0.242 4.284 4.527 -0.001 0.000 0.298 157 F C 2.136 177.802 175.800 -0.224 0.000 1.104 157 F CA 2.046 59.908 58.000 -0.231 0.000 1.232 157 F CB -0.428 38.343 39.000 -0.382 0.000 0.987 157 F HN 0.345 nan 8.300 nan 0.000 0.475 158 Y N 0.331 120.639 120.300 0.013 0.000 2.242 158 Y HA -0.137 4.413 4.550 -0.001 0.000 0.291 158 Y C 2.415 178.270 175.900 -0.075 0.000 1.137 158 Y CA 1.379 59.422 58.100 -0.095 0.000 1.181 158 Y CB -0.759 37.318 38.460 -0.639 0.000 0.989 158 Y HN 0.129 nan 8.280 nan 0.000 0.527 159 E N 0.360 120.577 120.200 0.028 0.000 2.077 159 E HA -0.261 4.089 4.350 -0.001 0.000 0.193 159 E C 2.030 178.547 176.600 -0.137 0.000 0.989 159 E CA 1.409 57.799 56.400 -0.018 0.000 0.800 159 E CB -0.100 29.593 29.700 -0.012 0.000 0.746 159 E HN 0.559 nan 8.360 nan 0.000 0.452 160 E N -0.175 119.854 120.200 -0.286 0.000 2.072 160 E HA -0.184 4.165 4.350 -0.001 0.000 0.191 160 E C 1.386 177.593 176.600 -0.654 0.000 0.985 160 E CA 1.196 57.284 56.400 -0.521 0.000 0.801 160 E CB 0.109 29.364 29.700 -0.741 0.000 0.750 160 E HN 0.400 nan 8.360 nan 0.000 0.452 161 H N -2.674 116.150 119.070 -0.410 0.000 2.729 161 H HA 0.195 4.750 4.556 -0.001 0.000 0.263 161 H C -0.271 174.593 175.328 -0.773 0.000 0.961 161 H CA 0.048 55.731 56.048 -0.608 0.000 1.217 161 H CB 0.707 29.948 29.762 -0.868 0.000 1.447 161 H HN 0.021 nan 8.280 nan 0.000 0.496 162 F N -0.145 119.816 119.950 0.017 0.000 2.623 162 F HA 0.289 4.815 4.527 -0.001 0.000 0.361 162 F C -1.981 173.862 175.800 0.072 0.000 1.469 162 F CA -2.073 55.985 58.000 0.096 0.000 1.126 162 F CB 1.243 40.371 39.000 0.214 0.000 1.221 162 F HN -0.069 nan 8.300 nan 0.000 0.536 163 P HA -0.259 nan 4.420 nan 0.000 0.219 163 P C 0.844 178.181 177.300 0.062 0.000 1.161 163 P CA 1.804 64.935 63.100 0.052 0.000 0.909 163 P CB 0.277 31.976 31.700 -0.001 0.000 0.793 164 D N -2.272 118.173 120.400 0.074 0.000 2.891 164 D HA 0.161 4.801 4.640 -0.001 0.000 0.332 164 D C 0.439 176.776 176.300 0.061 0.000 1.369 164 D CA -0.024 53.989 54.000 0.022 0.000 0.827 164 D CB 0.123 40.938 40.800 0.025 0.000 1.141 164 D HN 0.028 nan 8.370 nan 0.000 0.464 165 R N -0.167 120.425 120.500 0.154 0.000 2.569 165 R HA 0.106 4.446 4.340 -0.001 0.000 0.422 165 R C -0.867 175.650 176.300 0.362 0.000 0.980 165 R CA -0.357 55.936 56.100 0.320 0.000 1.164 165 R CB 1.130 31.669 30.300 0.400 0.000 1.520 165 R HN 0.033 nan 8.270 nan 0.000 0.567 166 Y N 0.191 120.482 120.300 -0.016 0.000 2.346 166 Y HA 0.471 5.021 4.550 -0.001 0.000 0.332 166 Y C -1.629 174.114 175.900 -0.260 0.000 0.985 166 Y CA -1.424 56.641 58.100 -0.057 0.000 1.112 166 Y CB 0.863 39.290 38.460 -0.056 0.000 1.170 166 Y HN -0.190 nan 8.280 nan 0.000 0.447 167 F N 6.150 125.731 119.950 -0.615 0.000 2.458 167 F HA 0.465 4.991 4.527 -0.001 0.000 0.336 167 F C -0.566 174.893 175.800 -0.569 0.000 1.114 167 F CA -0.995 56.742 58.000 -0.439 0.000 0.987 167 F CB 1.603 40.464 39.000 -0.233 0.000 1.130 167 F HN 0.348 nan 8.300 nan 0.000 0.458 168 L N 3.292 124.379 121.223 -0.226 0.000 2.485 168 L HA 0.134 4.474 4.340 -0.001 0.000 0.279 168 L C 0.562 177.447 176.870 0.024 0.000 1.124 168 L CA 0.088 54.865 54.840 -0.104 0.000 0.888 168 L CB 0.059 42.100 42.059 -0.030 0.000 1.217 168 L HN 0.632 nan 8.230 nan 0.000 0.464 169 E N 4.592 124.826 120.200 0.057 0.000 2.324 169 E HA 0.297 4.647 4.350 -0.001 0.000 0.271 169 E C -1.048 175.692 176.600 0.234 0.000 1.028 169 E CA -0.363 56.093 56.400 0.094 0.000 0.890 169 E CB 0.657 30.394 29.700 0.062 0.000 1.004 169 E HN 0.434 nan 8.360 nan 0.000 0.431 170 L N 5.671 126.990 121.223 0.160 0.000 2.346 170 L HA 0.607 4.946 4.340 -0.001 0.000 0.274 170 L C -0.299 176.761 176.870 0.317 0.000 1.007 170 L CA -0.805 54.209 54.840 0.290 0.000 0.818 170 L CB 1.487 43.737 42.059 0.319 0.000 1.284 170 L HN 0.438 nan 8.230 nan 0.000 0.424 171 I N 1.993 122.810 120.570 0.412 0.000 2.569 171 I HA 0.455 4.625 4.170 -0.001 0.000 0.290 171 I C -0.680 175.608 176.117 0.284 0.000 1.088 171 I CA -0.613 60.891 61.300 0.339 0.000 1.047 171 I CB 2.446 40.558 38.000 0.186 0.000 1.237 171 I HN 0.598 nan 8.210 nan 0.000 0.421 172 R N 3.187 123.821 120.500 0.223 0.000 2.443 172 R HA 0.339 4.679 4.340 -0.001 0.000 0.287 172 R C -0.072 176.240 176.300 0.020 0.000 1.425 172 R CA -0.188 55.924 56.100 0.020 0.000 1.300 172 R CB 1.196 31.361 30.300 -0.225 0.000 1.129 172 R HN 0.793 nan 8.270 nan 0.000 0.577 173 T N -2.141 112.431 114.554 0.029 0.000 3.288 173 T HA 0.202 4.551 4.350 -0.001 0.000 0.293 173 T C 1.017 175.725 174.700 0.014 0.000 1.008 173 T CA 0.097 62.211 62.100 0.024 0.000 0.929 173 T CB 1.036 69.928 68.868 0.039 0.000 1.152 173 T HN 0.576 nan 8.240 nan 0.000 0.517 174 G N 1.650 110.449 108.800 -0.002 0.000 2.273 174 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.280 174 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.280 174 G C -0.006 174.892 174.900 -0.004 0.000 1.047 174 G CA 0.099 45.192 45.100 -0.012 0.000 0.869 174 G HN 0.751 nan 8.290 nan 0.000 0.502 175 R N -0.073 120.430 120.500 0.006 0.000 2.643 175 R HA 0.629 4.968 4.340 -0.001 0.000 0.272 175 R C -2.214 174.087 176.300 0.001 0.000 0.995 175 R CA -1.856 54.246 56.100 0.004 0.000 1.032 175 R CB 1.131 31.433 30.300 0.004 0.000 1.126 175 R HN 0.098 nan 8.270 nan 0.000 0.505 176 P HA 0.112 nan 4.420 nan 0.000 0.274 176 P C -0.855 176.447 177.300 0.004 0.000 1.231 176 P CA 0.044 63.142 63.100 -0.003 0.000 0.790 176 P CB 0.558 32.253 31.700 -0.009 0.000 0.951 177 D N -0.421 119.990 120.400 0.018 0.000 3.006 177 D HA -0.207 4.433 4.640 -0.001 0.000 0.208 177 D C 1.023 177.373 176.300 0.083 0.000 1.116 177 D CA 1.351 55.376 54.000 0.041 0.000 0.998 177 D CB -1.157 39.658 40.800 0.024 0.000 1.124 177 D HN 0.593 nan 8.370 nan 0.000 0.413 178 E N -0.004 120.238 120.200 0.071 0.000 2.072 178 E HA -0.180 4.169 4.350 -0.001 0.000 0.191 178 E C 1.837 178.526 176.600 0.147 0.000 0.985 178 E CA 1.289 57.761 56.400 0.120 0.000 0.801 178 E CB 0.045 29.793 29.700 0.079 0.000 0.750 178 E HN 0.226 nan 8.360 nan 0.000 0.452 179 E N -0.127 120.118 120.200 0.075 0.000 2.318 179 E HA -0.002 4.348 4.350 -0.001 0.000 0.193 179 E C 1.812 178.447 176.600 0.059 0.000 0.998 179 E CA 0.543 56.966 56.400 0.038 0.000 0.859 179 E CB 0.167 29.854 29.700 -0.022 0.000 0.812 179 E HN -0.039 nan 8.360 nan 0.000 0.492 180 S N -0.237 115.514 115.700 0.085 0.000 2.355 180 S HA -0.136 4.333 4.470 -0.001 0.000 0.222 180 S C 1.552 176.236 174.600 0.140 0.000 1.031 180 S CA 1.120 59.386 58.200 0.110 0.000 0.993 180 S CB -0.586 62.669 63.200 0.093 0.000 0.859 180 S HN 0.498 nan 8.310 nan 0.000 0.453 181 Y N 2.638 122.973 120.300 0.057 0.000 2.030 181 Y HA -0.207 4.343 4.550 -0.001 0.000 0.274 181 Y C 2.159 178.106 175.900 0.077 0.000 1.153 181 Y CA 1.706 59.840 58.100 0.056 0.000 1.115 181 Y CB -0.976 37.509 38.460 0.042 0.000 0.969 181 Y HN 0.200 nan 8.280 nan 0.000 0.488 182 L N -0.420 120.674 121.223 -0.215 0.000 2.010 182 L HA -0.370 3.969 4.340 -0.001 0.000 0.219 182 L C 2.599 179.387 176.870 -0.136 0.000 1.077 182 L CA 2.491 57.188 54.840 -0.239 0.000 0.773 182 L CB -0.871 41.207 42.059 0.031 0.000 0.892 182 L HN 0.443 nan 8.230 nan 0.000 0.436 183 H N -0.400 118.596 119.070 -0.124 0.000 2.387 183 H HA -0.130 4.426 4.556 -0.001 0.000 0.299 183 H C 1.995 177.265 175.328 -0.096 0.000 1.099 183 H CA 1.586 57.584 56.048 -0.084 0.000 1.315 183 H CB -0.172 29.563 29.762 -0.045 0.000 1.380 183 H HN 0.565 nan 8.280 nan 0.000 0.513 184 A N 0.297 123.046 122.820 -0.119 0.000 1.872 184 A HA 0.062 4.382 4.320 -0.001 0.000 0.214 184 A C 2.631 180.102 177.584 -0.189 0.000 1.187 184 A CA 1.446 53.394 52.037 -0.149 0.000 0.614 184 A CB -1.184 17.785 19.000 -0.051 0.000 0.826 184 A HN 0.522 nan 8.150 nan 0.000 0.442 185 A N -0.494 122.127 122.820 -0.332 0.000 1.940 185 A HA -0.036 4.284 4.320 -0.001 0.000 0.219 185 A C 2.225 179.703 177.584 -0.175 0.000 1.176 185 A CA 1.840 53.684 52.037 -0.321 0.000 0.631 185 A CB -0.934 17.650 19.000 -0.693 0.000 0.814 185 A HN 0.371 nan 8.150 nan 0.000 0.446 186 V N 0.040 119.857 119.914 -0.162 0.000 2.295 186 V HA -0.277 3.843 4.120 -0.001 0.000 0.246 186 V C 2.432 178.471 176.094 -0.091 0.000 1.049 186 V CA 2.363 64.611 62.300 -0.087 0.000 1.024 186 V CB -0.750 31.050 31.823 -0.038 0.000 0.648 186 V HN 0.661 nan 8.190 nan 0.000 0.447 187 E N -0.420 119.696 120.200 -0.141 0.000 2.110 187 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 187 E C 2.267 178.824 176.600 -0.071 0.000 0.988 187 E CA 1.019 57.345 56.400 -0.123 0.000 0.804 187 E CB -0.120 29.475 29.700 -0.175 0.000 0.745 187 E HN 0.443 nan 8.360 nan 0.000 0.458 188 L N 0.710 121.896 121.223 -0.062 0.000 1.976 188 L HA -0.213 4.126 4.340 -0.001 0.000 0.209 188 L C 2.497 179.362 176.870 -0.008 0.000 1.071 188 L CA 1.560 56.389 54.840 -0.019 0.000 0.746 188 L CB -0.619 41.443 42.059 0.007 0.000 0.890 188 L HN 0.139 nan 8.230 nan 0.000 0.432 189 A N 0.056 122.866 122.820 -0.017 0.000 1.869 189 A HA -0.352 3.968 4.320 -0.001 0.000 0.218 189 A C 2.047 179.624 177.584 -0.012 0.000 1.203 189 A CA 2.284 54.314 52.037 -0.011 0.000 0.638 189 A CB -0.878 18.110 19.000 -0.020 0.000 0.831 189 A HN 0.592 nan 8.150 nan 0.000 0.450 190 E N -0.110 120.079 120.200 -0.019 0.000 2.065 190 E HA -0.198 4.152 4.350 -0.001 0.000 0.201 190 E C 2.020 178.613 176.600 -0.012 0.000 1.016 190 E CA 2.325 58.715 56.400 -0.016 0.000 0.818 190 E CB -0.487 29.199 29.700 -0.024 0.000 0.749 190 E HN 0.528 nan 8.360 nan 0.000 0.453 191 A N 0.333 123.144 122.820 -0.014 0.000 1.855 191 A HA -0.100 4.219 4.320 -0.001 0.000 0.215 191 A C 2.138 179.722 177.584 0.001 0.000 1.191 191 A CA 1.565 53.598 52.037 -0.008 0.000 0.613 191 A CB -0.379 18.616 19.000 -0.010 0.000 0.829 191 A HN 0.135 nan 8.150 nan 0.000 0.442 192 R N -0.667 119.837 120.500 0.008 0.000 2.299 192 R HA 0.096 4.436 4.340 -0.001 0.000 0.197 192 R C 1.023 177.331 176.300 0.012 0.000 0.971 192 R CA 0.598 56.708 56.100 0.017 0.000 1.030 192 R CB -1.021 29.301 30.300 0.037 0.000 0.932 192 R HN 0.847 nan 8.270 nan 0.000 0.477 193 G N 1.924 110.726 108.800 0.003 0.000 2.351 193 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.297 193 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.297 193 G C -0.253 174.641 174.900 -0.010 0.000 1.054 193 G CA 0.138 45.235 45.100 -0.004 0.000 1.123 193 G HN 0.199 nan 8.290 nan 0.000 0.512 194 L N 0.371 121.587 121.223 -0.012 0.000 2.319 194 L HA 0.752 5.091 4.340 -0.001 0.000 0.267 194 L C -1.914 174.912 176.870 -0.074 0.000 1.011 194 L CA -2.601 52.216 54.840 -0.039 0.000 0.818 194 L CB 2.264 44.331 42.059 0.012 0.000 1.316 194 L HN 0.056 nan 8.230 nan 0.000 0.432 195 P HA 0.337 nan 4.420 nan 0.000 0.290 195 P C -1.121 176.160 177.300 -0.032 0.000 1.275 195 P CA -0.533 62.499 63.100 -0.113 0.000 0.841 195 P CB 1.560 33.123 31.700 -0.230 0.000 1.042 196 V N 0.326 120.274 119.914 0.057 0.000 2.834 196 V HA 0.779 4.898 4.120 -0.001 0.000 0.313 196 V C -0.122 176.044 176.094 0.120 0.000 1.060 196 V CA -0.986 61.357 62.300 0.073 0.000 0.989 196 V CB 1.816 33.659 31.823 0.034 0.000 1.041 196 V HN 0.430 nan 8.190 nan 0.000 0.459 197 V N 1.263 121.204 119.914 0.045 0.000 2.851 197 V HA 0.843 4.963 4.120 -0.001 0.000 0.307 197 V C 0.076 176.067 176.094 -0.171 0.000 1.129 197 V CA 0.027 62.289 62.300 -0.064 0.000 0.932 197 V CB 1.876 33.630 31.823 -0.116 0.000 1.024 197 V HN 1.596 nan 8.190 nan 0.000 0.426 198 A N 4.199 126.828 122.820 -0.317 0.000 2.327 198 A HA 0.856 5.176 4.320 -0.001 0.000 0.283 198 A C 0.085 177.577 177.584 -0.153 0.000 1.127 198 A CA -0.078 51.630 52.037 -0.549 0.000 0.810 198 A CB 0.952 19.293 19.000 -1.098 0.000 1.066 198 A HN 0.934 nan 8.150 nan 0.000 0.492 199 T N 0.732 115.245 114.554 -0.069 0.000 2.883 199 T HA 0.361 4.711 4.350 -0.001 0.000 0.301 199 T C 0.437 175.215 174.700 0.131 0.000 1.158 199 T CA -0.359 61.796 62.100 0.093 0.000 1.007 199 T CB 1.572 70.476 68.868 0.060 0.000 1.186 199 T HN 0.666 nan 8.240 nan 0.000 0.499 200 N N 0.857 119.672 118.700 0.193 0.000 2.187 200 N HA 0.118 4.857 4.740 -0.001 0.000 0.212 200 N C -0.235 175.297 175.510 0.037 0.000 1.152 200 N CA -0.011 53.107 53.050 0.113 0.000 0.872 200 N CB 0.202 38.756 38.487 0.110 0.000 1.025 200 N HN 0.640 nan 8.380 nan 0.000 0.514 201 D N 0.100 120.529 120.400 0.048 0.000 2.697 201 D HA -0.171 4.469 4.640 -0.001 0.000 0.235 201 D C -0.967 175.264 176.300 -0.116 0.000 1.167 201 D CA 0.345 54.339 54.000 -0.011 0.000 0.656 201 D CB -1.073 39.733 40.800 0.011 0.000 1.025 201 D HN 0.003 nan 8.370 nan 0.000 0.419 202 V N 1.826 121.649 119.914 -0.151 0.000 2.637 202 V HA 0.205 4.325 4.120 -0.001 0.000 0.296 202 V C 1.699 177.570 176.094 -0.371 0.000 1.046 202 V CA 0.241 62.356 62.300 -0.308 0.000 1.066 202 V CB 1.652 33.277 31.823 -0.330 0.000 0.968 202 V HN 0.246 nan 8.190 nan 0.000 0.483 203 R N 2.989 123.113 120.500 -0.628 0.000 2.513 203 R HA 0.304 4.643 4.340 -0.001 0.000 0.245 203 R C -0.399 175.634 176.300 -0.445 0.000 0.908 203 R CA 0.347 56.086 56.100 -0.601 0.000 1.023 203 R CB 0.683 30.502 30.300 -0.801 0.000 1.338 203 R HN 0.707 nan 8.270 nan 0.000 0.575 204 F N -3.387 116.446 119.950 -0.194 0.000 2.693 204 F HA 0.447 4.973 4.527 -0.001 0.000 0.309 204 F C 0.917 176.701 175.800 -0.026 0.000 1.129 204 F CA -1.195 56.731 58.000 -0.122 0.000 0.948 204 F CB 0.426 39.350 39.000 -0.126 0.000 1.315 204 F HN -0.346 nan 8.300 nan 0.000 0.447 205 I N 0.162 120.851 120.570 0.200 0.000 2.133 205 I HA -0.114 4.056 4.170 -0.001 0.000 0.238 205 I C 0.245 176.524 176.117 0.270 0.000 1.074 205 I CA 1.539 62.927 61.300 0.147 0.000 1.342 205 I CB -0.128 37.925 38.000 0.087 0.000 1.053 205 I HN 0.512 nan 8.210 nan 0.000 0.404 206 D N -0.487 120.070 120.400 0.261 0.000 2.192 206 D HA 0.124 4.763 4.640 -0.001 0.000 0.246 206 D C 0.759 177.143 176.300 0.141 0.000 1.042 206 D CA -0.056 54.030 54.000 0.142 0.000 0.847 206 D CB 1.976 42.791 40.800 0.025 0.000 1.186 206 D HN -0.124 nan 8.370 nan 0.000 0.461 207 S N 1.707 117.245 115.700 -0.269 0.000 2.390 207 S HA -0.269 4.201 4.470 -0.001 0.000 0.234 207 S C 1.927 176.474 174.600 -0.089 0.000 1.063 207 S CA 2.518 60.594 58.200 -0.206 0.000 1.108 207 S CB -0.203 62.632 63.200 -0.608 0.000 0.975 207 S HN 0.587 nan 8.310 nan 0.000 0.442 208 S N 0.677 116.301 115.700 -0.127 0.000 2.493 208 S HA -0.120 4.349 4.470 -0.001 0.000 0.243 208 S C 1.089 175.618 174.600 -0.118 0.000 0.991 208 S CA 1.351 59.496 58.200 -0.091 0.000 0.957 208 S CB -0.599 62.555 63.200 -0.076 0.000 0.756 208 S HN 0.569 nan 8.310 nan 0.000 0.521 209 D N 0.442 120.732 120.400 -0.183 0.000 2.363 209 D HA 0.102 4.742 4.640 -0.001 0.000 0.226 209 D C 1.078 177.023 176.300 -0.591 0.000 1.020 209 D CA 0.070 53.896 54.000 -0.289 0.000 0.892 209 D CB -0.427 40.264 40.800 -0.183 0.000 0.900 209 D HN 0.477 nan 8.370 nan 0.000 0.531 210 F N 2.613 122.069 119.950 -0.823 0.000 2.027 210 F HA -0.287 4.239 4.527 -0.001 0.000 0.297 210 F C 1.687 177.261 175.800 -0.377 0.000 1.129 210 F CA 1.766 59.276 58.000 -0.817 0.000 1.195 210 F CB -0.162 38.622 39.000 -0.361 0.000 0.960 210 F HN -0.170 nan 8.300 nan 0.000 0.485 211 D N 0.512 120.713 120.400 -0.332 0.000 2.158 211 D HA -0.219 4.420 4.640 -0.001 0.000 0.197 211 D C 2.343 178.466 176.300 -0.294 0.000 0.995 211 D CA 1.651 55.459 54.000 -0.320 0.000 0.846 211 D CB -0.824 39.917 40.800 -0.098 0.000 0.941 211 D HN 0.442 nan 8.370 nan 0.000 0.456 212 A N 0.171 122.847 122.820 -0.240 0.000 1.933 212 A HA -0.221 4.098 4.320 -0.001 0.000 0.218 212 A C 2.092 179.564 177.584 -0.187 0.000 1.175 212 A CA 1.623 53.556 52.037 -0.173 0.000 0.628 212 A CB -0.761 18.165 19.000 -0.124 0.000 0.814 212 A HN 0.406 nan 8.150 nan 0.000 0.444 213 H N -0.645 118.200 119.070 -0.376 0.000 2.363 213 H HA -0.067 4.488 4.556 -0.001 0.000 0.301 213 H C 1.816 176.933 175.328 -0.350 0.000 1.074 213 H CA 1.397 57.248 56.048 -0.329 0.000 1.354 213 H CB 0.069 29.644 29.762 -0.312 0.000 1.397 213 H HN 0.401 nan 8.280 nan 0.000 0.516 214 E N 0.999 120.896 120.200 -0.505 0.000 2.086 214 E HA -0.184 4.166 4.350 -0.001 0.000 0.200 214 E C 2.537 178.961 176.600 -0.293 0.000 1.012 214 E CA 1.101 57.232 56.400 -0.447 0.000 0.812 214 E CB -0.365 29.024 29.700 -0.518 0.000 0.743 214 E HN 0.582 nan 8.360 nan 0.000 0.453 215 I N 0.676 121.104 120.570 -0.237 0.000 2.226 215 I HA -0.248 3.922 4.170 -0.001 0.000 0.245 215 I C 2.783 178.825 176.117 -0.125 0.000 1.100 215 I CA 0.841 62.059 61.300 -0.136 0.000 1.374 215 I CB -0.256 37.685 38.000 -0.098 0.000 1.057 215 I HN 0.023 nan 8.210 nan 0.000 0.413 216 R N 0.919 121.312 120.500 -0.178 0.000 2.091 216 R HA -0.162 4.178 4.340 -0.001 0.000 0.238 216 R C 2.144 178.352 176.300 -0.153 0.000 1.136 216 R CA 1.662 57.670 56.100 -0.153 0.000 0.959 216 R CB -0.470 29.719 30.300 -0.185 0.000 0.856 216 R HN 0.235 nan 8.270 nan 0.000 0.437 217 V N 0.898 120.646 119.914 -0.276 0.000 2.453 217 V HA -0.158 3.962 4.120 -0.001 0.000 0.247 217 V C 2.569 178.674 176.094 0.018 0.000 1.048 217 V CA 1.649 63.847 62.300 -0.169 0.000 1.049 217 V CB -0.772 30.885 31.823 -0.276 0.000 0.672 217 V HN 0.432 nan 8.190 nan 0.000 0.457 218 A N -0.136 122.684 122.820 -0.000 0.000 1.972 218 A HA -0.145 4.175 4.320 -0.001 0.000 0.219 218 A C 2.165 179.819 177.584 0.116 0.000 1.169 218 A CA 1.675 53.767 52.037 0.092 0.000 0.635 218 A CB -0.487 18.549 19.000 0.060 0.000 0.810 218 A HN 0.523 nan 8.150 nan 0.000 0.446 219 I N -1.709 118.903 120.570 0.070 0.000 2.233 219 I HA -0.222 3.947 4.170 -0.001 0.000 0.243 219 I C 2.475 178.648 176.117 0.093 0.000 1.093 219 I CA 1.720 63.062 61.300 0.069 0.000 1.380 219 I CB -0.477 37.551 38.000 0.047 0.000 1.067 219 I HN 0.553 nan 8.210 nan 0.000 0.413 220 H N 1.275 120.366 119.070 0.035 0.000 2.319 220 H HA -0.204 4.351 4.556 -0.001 0.000 0.299 220 H C 1.540 176.924 175.328 0.093 0.000 1.092 220 H CA 2.131 58.213 56.048 0.057 0.000 1.302 220 H CB 0.034 29.820 29.762 0.039 0.000 1.373 220 H HN 0.204 nan 8.280 nan 0.000 0.497 221 D N -0.764 119.788 120.400 0.254 0.000 2.348 221 D HA 0.066 4.705 4.640 -0.001 0.000 0.216 221 D C 1.375 177.819 176.300 0.239 0.000 0.970 221 D CA 1.101 55.287 54.000 0.311 0.000 0.889 221 D CB -0.248 40.804 40.800 0.420 0.000 0.912 221 D HN 0.661 nan 8.370 nan 0.000 0.524 222 G N -0.061 108.810 108.800 0.119 0.000 2.160 222 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.244 222 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.244 222 G C -0.016 174.810 174.900 -0.124 0.000 1.022 222 G CA -0.192 44.892 45.100 -0.027 0.000 0.741 222 G HN 0.250 nan 8.290 nan 0.000 0.508 223 F N -0.108 119.849 119.950 0.011 0.000 2.497 223 F HA 0.681 5.208 4.527 -0.001 0.000 0.331 223 F C 1.064 176.865 175.800 0.002 0.000 1.060 223 F CA -0.503 57.502 58.000 0.009 0.000 0.989 223 F CB 1.698 40.705 39.000 0.012 0.000 1.245 223 F HN -0.045 nan 8.300 nan 0.000 0.486 224 T N 3.118 117.799 114.554 0.211 0.000 2.889 224 T HA 0.131 4.481 4.350 -0.001 0.000 0.291 224 T C 1.400 176.161 174.700 0.102 0.000 0.995 224 T CA -0.436 61.731 62.100 0.112 0.000 1.092 224 T CB 0.914 69.817 68.868 0.057 0.000 0.954 224 T HN 0.499 nan 8.240 nan 0.000 0.506 225 L N 2.340 123.589 121.223 0.042 0.000 2.021 225 L HA -0.159 4.180 4.340 -0.001 0.000 0.215 225 L C 1.711 178.588 176.870 0.011 0.000 1.074 225 L CA 2.270 57.116 54.840 0.011 0.000 0.760 225 L CB -0.349 41.701 42.059 -0.015 0.000 0.889 225 L HN 0.799 nan 8.230 nan 0.000 0.433 226 D N -1.970 118.438 120.400 0.012 0.000 2.424 226 D HA -0.016 4.624 4.640 -0.001 0.000 0.220 226 D C 0.336 176.650 176.300 0.023 0.000 1.150 226 D CA -0.442 53.561 54.000 0.006 0.000 0.831 226 D CB -0.411 40.382 40.800 -0.013 0.000 0.981 226 D HN 0.126 nan 8.370 nan 0.000 0.500 227 D N 1.491 121.924 120.400 0.056 0.000 2.371 227 D HA 0.070 4.710 4.640 -0.001 0.000 0.256 227 D C -1.490 174.841 176.300 0.052 0.000 1.193 227 D CA -1.933 52.118 54.000 0.086 0.000 0.881 227 D CB 1.818 42.739 40.800 0.202 0.000 1.143 227 D HN -0.090 nan 8.370 nan 0.000 0.473 228 P HA -0.080 nan 4.420 nan 0.000 0.223 228 P C 0.644 177.951 177.300 0.012 0.000 1.144 228 P CA 1.027 64.139 63.100 0.019 0.000 0.783 228 P CB 0.287 32.001 31.700 0.023 0.000 0.771 229 K N -1.350 119.078 120.400 0.047 0.000 2.393 229 K HA 0.077 4.397 4.320 -0.001 0.000 0.193 229 K C 0.931 177.455 176.600 -0.127 0.000 1.026 229 K CA -0.182 56.133 56.287 0.047 0.000 1.064 229 K CB 0.034 32.636 32.500 0.171 0.000 0.833 229 K HN -0.032 nan 8.250 nan 0.000 0.521 230 R N 2.041 122.391 120.500 -0.250 0.000 2.502 230 R HA 0.016 4.355 4.340 -0.001 0.000 0.292 230 R C -2.429 173.617 176.300 -0.424 0.000 0.998 230 R CA -1.382 54.325 56.100 -0.656 0.000 1.056 230 R CB 0.271 30.366 30.300 -0.341 0.000 0.939 230 R HN -0.123 nan 8.270 nan 0.000 0.411 231 P HA 0.055 nan 4.420 nan 0.000 0.267 231 P C -1.029 176.181 177.300 -0.151 0.000 1.205 231 P CA 0.273 63.228 63.100 -0.242 0.000 0.765 231 P CB 0.621 32.196 31.700 -0.208 0.000 0.828 232 R N 3.173 123.623 120.500 -0.084 0.000 2.402 232 R HA 0.267 4.607 4.340 -0.001 0.000 0.290 232 R C 0.151 176.434 176.300 -0.029 0.000 1.321 232 R CA -0.273 55.824 56.100 -0.004 0.000 1.283 232 R CB 0.341 30.659 30.300 0.031 0.000 1.111 232 R HN 0.357 nan 8.270 nan 0.000 0.578 233 N N 1.172 119.793 118.700 -0.131 0.000 2.214 233 N HA 0.063 4.802 4.740 -0.001 0.000 0.214 233 N C -0.812 174.382 175.510 -0.526 0.000 1.132 233 N CA 0.329 53.161 53.050 -0.363 0.000 0.856 233 N CB 0.596 38.762 38.487 -0.535 0.000 1.020 233 N HN 0.352 nan 8.380 nan 0.000 0.509 234 Y N -0.367 120.054 120.300 0.201 0.000 2.562 234 Y HA 0.476 5.025 4.550 -0.001 0.000 0.343 234 Y C 0.399 176.549 175.900 0.417 0.000 1.025 234 Y CA -1.015 57.280 58.100 0.326 0.000 1.082 234 Y CB 1.825 40.555 38.460 0.451 0.000 1.264 234 Y HN -0.258 nan 8.280 nan 0.000 0.478 235 S N 0.771 116.792 115.700 0.535 0.000 2.548 235 S HA 0.453 4.922 4.470 -0.001 0.000 0.286 235 S C -2.498 172.233 174.600 0.218 0.000 1.098 235 S CA -1.914 56.413 58.200 0.212 0.000 0.930 235 S CB 1.727 64.983 63.200 0.095 0.000 1.070 235 S HN 0.329 nan 8.310 nan 0.000 0.480 236 P HA -0.066 nan 4.420 nan 0.000 0.223 236 P C 0.831 178.311 177.300 0.301 0.000 1.144 236 P CA 1.101 64.113 63.100 -0.146 0.000 0.783 236 P CB 0.022 31.452 31.700 -0.449 0.000 0.771 237 Q N -0.817 119.106 119.800 0.205 0.000 2.435 237 Q HA -0.058 4.282 4.340 -0.001 0.000 0.207 237 Q C 1.010 177.100 176.000 0.150 0.000 0.956 237 Q CA 0.584 56.536 55.803 0.248 0.000 0.917 237 Q CB -0.293 28.505 28.738 0.099 0.000 0.997 237 Q HN 0.492 nan 8.270 nan 0.000 0.497 238 Q N 0.953 120.792 119.800 0.065 0.000 2.600 238 Q HA 0.024 4.363 4.340 -0.001 0.000 0.276 238 Q C -0.769 174.799 176.000 -0.720 0.000 1.006 238 Q CA -0.124 55.504 55.803 -0.291 0.000 0.942 238 Q CB -0.289 28.301 28.738 -0.247 0.000 1.383 238 Q HN 0.312 nan 8.270 nan 0.000 0.414 242 S N 0.102 115.816 115.700 0.023 0.000 2.608 242 S HA 0.121 4.590 4.470 -0.001 0.000 0.261 242 S C 0.886 175.460 174.600 -0.044 0.000 1.314 242 S CA -0.439 57.786 58.200 0.042 0.000 0.992 242 S CB 1.308 64.537 63.200 0.048 0.000 0.935 242 S HN 0.724 nan 8.310 nan 0.000 0.564 243 E N 0.457 120.663 120.200 0.009 0.000 2.023 243 E HA -0.191 4.158 4.350 -0.001 0.000 0.196 243 E C 2.031 178.600 176.600 -0.052 0.000 1.003 243 E CA 1.454 57.849 56.400 -0.007 0.000 0.809 243 E CB -0.166 29.570 29.700 0.059 0.000 0.755 243 E HN 0.695 nan 8.360 nan 0.000 0.449 244 E N 1.047 121.236 120.200 -0.018 0.000 2.086 244 E HA -0.172 4.177 4.350 -0.001 0.000 0.200 244 E C 0.676 177.250 176.600 -0.043 0.000 1.012 244 E CA 0.973 57.361 56.400 -0.020 0.000 0.812 244 E CB -0.194 29.506 29.700 -0.000 0.000 0.743 244 E HN 0.322 nan 8.360 nan 0.000 0.453 248 E N 1.477 121.669 120.200 -0.013 0.000 2.072 248 E HA -0.073 4.276 4.350 -0.001 0.000 0.191 248 E C 1.848 178.423 176.600 -0.043 0.000 0.985 248 E CA 1.009 57.396 56.400 -0.022 0.000 0.801 248 E CB -0.030 29.653 29.700 -0.029 0.000 0.750 248 E HN 0.593 nan 8.360 nan 0.000 0.452 249 L N -0.374 120.820 121.223 -0.049 0.000 2.141 249 L HA -0.112 4.228 4.340 -0.001 0.000 0.209 249 L C 1.129 177.824 176.870 -0.292 0.000 1.094 249 L CA 0.983 55.734 54.840 -0.149 0.000 0.763 249 L CB 0.092 42.080 42.059 -0.118 0.000 0.908 249 L HN 0.088 nan 8.230 nan 0.000 0.437 250 F N -1.547 118.364 119.950 -0.065 0.000 2.855 250 F HA 0.288 4.815 4.527 -0.000 0.000 0.317 250 F C 1.593 177.379 175.800 -0.023 0.000 1.169 250 F CA -0.090 57.888 58.000 -0.037 0.000 1.299 250 F CB 0.010 38.991 39.000 -0.031 0.000 0.962 250 F HN -0.115 nan 8.300 nan 0.000 0.506 251 A N 0.139 122.999 122.820 0.067 0.000 1.978 251 A HA -0.254 4.065 4.320 -0.001 0.000 0.220 251 A C 1.784 179.396 177.584 0.045 0.000 1.170 251 A CA 2.332 54.396 52.037 0.045 0.000 0.636 251 A CB -0.604 18.400 19.000 0.007 0.000 0.810 251 A HN 0.489 nan 8.150 nan 0.000 0.448 252 D N -0.512 119.908 120.400 0.033 0.000 2.312 252 D HA 0.033 4.672 4.640 -0.001 0.000 0.211 252 D C 0.470 176.812 176.300 0.070 0.000 0.964 252 D CA 0.712 54.732 54.000 0.034 0.000 0.877 252 D CB -0.270 40.533 40.800 0.005 0.000 0.924 252 D HN 0.510 nan 8.370 nan 0.000 0.515 253 I N -0.783 119.860 120.570 0.122 0.000 2.862 253 I HA 0.234 4.404 4.170 -0.001 0.000 0.285 253 I C -2.171 174.019 176.117 0.122 0.000 1.339 253 I CA -1.790 59.589 61.300 0.132 0.000 1.002 253 I CB 1.956 40.068 38.000 0.186 0.000 1.618 253 I HN -0.322 nan 8.210 nan 0.000 0.593 254 P HA -0.191 nan 4.420 nan 0.000 0.221 254 P C 1.432 178.761 177.300 0.049 0.000 1.145 254 P CA 1.110 64.250 63.100 0.067 0.000 0.795 254 P CB 0.308 32.037 31.700 0.048 0.000 0.775 255 E N -0.010 120.218 120.200 0.047 0.000 2.150 255 E HA -0.162 4.188 4.350 -0.001 0.000 0.193 255 E C 1.821 178.436 176.600 0.024 0.000 0.985 255 E CA 1.009 57.431 56.400 0.037 0.000 0.814 255 E CB -0.300 29.425 29.700 0.041 0.000 0.752 255 E HN 0.113 nan 8.360 nan 0.000 0.466 256 A N 0.783 123.609 122.820 0.011 0.000 1.969 256 A HA -0.116 4.203 4.320 -0.001 0.000 0.218 256 A C 2.139 179.664 177.584 -0.098 0.000 1.169 256 A CA 0.898 52.896 52.037 -0.066 0.000 0.635 256 A CB -0.359 18.546 19.000 -0.158 0.000 0.810 256 A HN 0.236 nan 8.150 nan 0.000 0.445 257 L N -1.003 120.197 121.223 -0.039 0.000 2.034 257 L HA -0.032 4.307 4.340 -0.001 0.000 0.203 257 L C 3.044 179.909 176.870 -0.009 0.000 1.074 257 L CA 0.960 55.815 54.840 0.025 0.000 0.748 257 L CB -0.674 41.432 42.059 0.077 0.000 0.905 257 L HN 0.331 nan 8.230 nan 0.000 0.439 258 A N 0.268 123.088 122.820 -0.001 0.000 1.986 258 A HA -0.256 4.064 4.320 -0.001 0.000 0.220 258 A C 2.058 179.617 177.584 -0.042 0.000 1.171 258 A CA 2.215 54.244 52.037 -0.014 0.000 0.640 258 A CB -0.679 18.326 19.000 0.007 0.000 0.811 258 A HN 0.452 nan 8.150 nan 0.000 0.451 259 N N -0.708 117.967 118.700 -0.041 0.000 2.216 259 N HA -0.075 4.665 4.740 -0.001 0.000 0.183 259 N C 1.720 177.106 175.510 -0.208 0.000 1.017 259 N CA 1.489 54.504 53.050 -0.058 0.000 0.861 259 N CB -0.778 37.732 38.487 0.039 0.000 0.986 259 N HN 0.459 nan 8.380 nan 0.000 0.428 260 T N 0.751 115.159 114.554 -0.244 0.000 2.567 260 T HA -0.181 4.168 4.350 -0.001 0.000 0.261 260 T C 1.948 176.474 174.700 -0.290 0.000 1.123 260 T CA 1.937 63.827 62.100 -0.351 0.000 1.166 260 T CB -0.547 68.030 68.868 -0.484 0.000 0.860 260 T HN -0.014 nan 8.240 nan 0.000 0.436 261 V N 1.169 120.959 119.914 -0.207 0.000 2.427 261 V HA -0.102 4.017 4.120 -0.001 0.000 0.248 261 V C 2.541 178.566 176.094 -0.115 0.000 1.051 261 V CA 1.681 63.890 62.300 -0.153 0.000 1.048 261 V CB -0.544 31.221 31.823 -0.096 0.000 0.666 261 V HN 0.516 nan 8.190 nan 0.000 0.456 262 E N 0.189 120.332 120.200 -0.095 0.000 2.077 262 E HA -0.208 4.141 4.350 -0.001 0.000 0.193 262 E C 2.203 178.755 176.600 -0.080 0.000 0.989 262 E CA 1.574 57.941 56.400 -0.056 0.000 0.800 262 E CB -0.093 29.604 29.700 -0.005 0.000 0.746 262 E HN 0.603 nan 8.360 nan 0.000 0.452 263 I N 0.874 121.343 120.570 -0.167 0.000 2.252 263 I HA -0.247 3.923 4.170 -0.001 0.000 0.245 263 I C 2.616 178.650 176.117 -0.138 0.000 1.102 263 I CA 1.041 62.220 61.300 -0.202 0.000 1.385 263 I CB -0.314 37.443 38.000 -0.405 0.000 1.064 263 I HN 0.085 nan 8.210 nan 0.000 0.414 264 A N 0.856 123.583 122.820 -0.155 0.000 1.940 264 A HA -0.242 4.077 4.320 -0.001 0.000 0.219 264 A C 2.304 179.839 177.584 -0.082 0.000 1.176 264 A CA 1.745 53.708 52.037 -0.122 0.000 0.631 264 A CB -0.470 18.442 19.000 -0.147 0.000 0.814 264 A HN 0.356 nan 8.150 nan 0.000 0.446 265 K N -0.670 119.688 120.400 -0.069 0.000 2.097 265 K HA -0.071 4.249 4.320 -0.001 0.000 0.205 265 K C 2.046 178.631 176.600 -0.026 0.000 1.050 265 K CA 1.077 57.338 56.287 -0.043 0.000 0.938 265 K CB -0.184 32.297 32.500 -0.032 0.000 0.718 265 K HN 0.392 nan 8.250 nan 0.000 0.442 266 R N 0.335 120.823 120.500 -0.020 0.000 2.237 266 R HA -0.014 4.325 4.340 -0.001 0.000 0.219 266 R C 0.530 176.835 176.300 0.008 0.000 1.080 266 R CA 0.474 56.578 56.100 0.006 0.000 0.995 266 R CB -0.333 29.983 30.300 0.027 0.000 0.875 266 R HN 0.131 nan 8.270 nan 0.000 0.462 267 C N 2.462 121.756 119.300 -0.011 0.000 2.255 267 C HA 0.368 4.828 4.460 -0.001 0.000 0.326 267 C C -0.157 174.828 174.990 -0.009 0.000 1.258 267 C CA -0.979 58.038 59.018 -0.001 0.000 1.676 267 C CB -0.200 27.534 27.740 -0.010 0.000 2.314 267 C HN 0.368 nan 8.230 nan 0.000 0.509 268 N N 2.885 121.590 118.700 0.009 0.000 2.594 268 N HA 0.276 5.016 4.740 -0.001 0.000 0.280 268 N C -1.472 174.054 175.510 0.026 0.000 1.156 268 N CA -0.220 52.833 53.050 0.005 0.000 0.831 268 N CB 1.876 40.364 38.487 0.003 0.000 1.379 268 N HN 0.314 nan 8.380 nan 0.000 0.536 269 V N 1.417 121.353 119.914 0.036 0.000 2.459 269 V HA 0.411 4.531 4.120 -0.001 0.000 0.295 269 V C 0.401 176.518 176.094 0.040 0.000 1.029 269 V CA -0.301 62.013 62.300 0.023 0.000 0.874 269 V CB 1.967 33.772 31.823 -0.031 0.000 0.985 269 V HN 0.468 nan 8.190 nan 0.000 0.438 270 T N 4.448 118.997 114.554 -0.008 0.000 2.771 270 T HA 0.481 4.830 4.350 -0.001 0.000 0.291 270 T C -0.260 174.343 174.700 -0.162 0.000 0.954 270 T CA -0.201 61.889 62.100 -0.018 0.000 1.045 270 T CB 1.141 70.014 68.868 0.008 0.000 0.917 270 T HN 0.374 nan 8.240 nan 0.000 0.484 271 V N 5.084 124.806 119.914 -0.321 0.000 2.340 271 V HA 0.357 4.477 4.120 -0.001 0.000 0.277 271 V C 0.450 176.382 176.094 -0.269 0.000 1.017 271 V CA -0.918 61.099 62.300 -0.471 0.000 0.820 271 V CB 0.981 32.114 31.823 -1.151 0.000 1.028 271 V HN 0.693 nan 8.190 nan 0.000 0.436 272 R N 4.457 124.905 120.500 -0.087 0.000 2.491 272 R HA 0.524 4.863 4.340 -0.001 0.000 0.283 272 R C -1.193 175.017 176.300 -0.151 0.000 1.072 272 R CA 0.047 56.111 56.100 -0.060 0.000 1.048 272 R CB 0.625 30.977 30.300 0.086 0.000 0.983 272 R HN 0.611 nan 8.270 nan 0.000 0.450 273 L N 1.953 122.989 121.223 -0.313 0.000 2.422 273 L HA 0.394 4.734 4.340 -0.001 0.000 0.264 273 L C 0.944 177.383 176.870 -0.718 0.000 0.984 273 L CA -0.325 54.138 54.840 -0.628 0.000 0.819 273 L CB 2.207 43.734 42.059 -0.888 0.000 1.330 273 L HN 0.923 nan 8.230 nan 0.000 0.410 274 G N 1.513 109.854 108.800 -0.765 0.000 2.179 274 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.220 274 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.220 274 G C -0.084 174.649 174.900 -0.279 0.000 0.990 274 G CA -0.349 44.528 45.100 -0.372 0.000 0.646 274 G HN 0.591 nan 8.290 nan 0.000 0.517 275 E N -0.395 119.608 120.200 -0.329 0.000 2.256 275 E HA 0.493 4.842 4.350 -0.001 0.000 0.268 275 E C -0.743 175.632 176.600 -0.376 0.000 0.877 275 E CA -0.979 55.233 56.400 -0.313 0.000 0.757 275 E CB 1.574 31.112 29.700 -0.271 0.000 1.183 275 E HN 0.287 nan 8.360 nan 0.000 0.418 276 Y N 1.095 121.268 120.300 -0.213 0.000 2.683 276 Y HA -0.035 4.515 4.550 -0.001 0.000 0.340 276 Y C 0.172 175.826 175.900 -0.410 0.000 1.245 276 Y CA 0.250 58.233 58.100 -0.196 0.000 1.485 276 Y CB 0.396 38.811 38.460 -0.075 0.000 1.328 276 Y HN 0.450 nan 8.280 nan 0.000 0.603 277 F N 3.844 123.905 119.950 0.185 0.000 2.300 277 F HA 0.191 4.718 4.527 -0.001 0.000 0.364 277 F C -0.602 175.195 175.800 -0.005 0.000 1.090 277 F CA -0.877 57.184 58.000 0.102 0.000 1.200 277 F CB -0.109 38.959 39.000 0.113 0.000 1.493 277 F HN 0.156 nan 8.300 nan 0.000 0.518 278 L N 4.539 125.839 121.223 0.128 0.000 2.499 278 L HA 0.110 4.449 4.340 -0.001 0.000 0.281 278 L C -1.765 175.108 176.870 0.005 0.000 1.234 278 L CA -1.935 52.908 54.840 0.005 0.000 0.839 278 L CB -0.518 41.565 42.059 0.041 0.000 1.104 278 L HN 0.265 nan 8.230 nan 0.000 0.500 279 P HA 0.218 nan 4.420 nan 0.000 0.280 279 P C -1.095 176.220 177.300 0.024 0.000 1.272 279 P CA -0.805 62.251 63.100 -0.073 0.000 0.819 279 P CB 0.711 32.255 31.700 -0.260 0.000 1.122 280 Q N -0.016 119.841 119.800 0.096 0.000 2.267 280 Q HA 0.387 4.727 4.340 -0.001 0.000 0.255 280 Q C -1.142 175.012 176.000 0.256 0.000 0.923 280 Q CA -0.350 55.548 55.803 0.158 0.000 0.925 280 Q CB 0.012 28.820 28.738 0.117 0.000 1.195 280 Q HN 0.284 nan 8.270 nan 0.000 0.417 281 F N 5.595 125.629 119.950 0.141 0.000 2.418 281 F HA 0.418 4.944 4.527 -0.001 0.000 0.341 281 F C -1.717 174.115 175.800 0.053 0.000 1.120 281 F CA -2.038 56.069 58.000 0.178 0.000 1.232 281 F CB 0.760 39.853 39.000 0.155 0.000 1.175 281 F HN 0.504 nan 8.300 nan 0.000 0.569 282 P HA 0.073 nan 4.420 nan 0.000 0.270 282 P C -0.361 176.761 177.300 -0.297 0.000 1.242 282 P CA 0.108 62.966 63.100 -0.403 0.000 0.768 282 P CB 1.405 32.789 31.700 -0.528 0.000 0.820 283 T N 0.833 115.266 114.554 -0.201 0.000 3.029 283 T HA 0.331 4.681 4.350 -0.001 0.000 0.256 283 T C 0.980 175.564 174.700 -0.193 0.000 0.914 283 T CA 1.144 63.061 62.100 -0.306 0.000 0.880 283 T CB -0.367 68.406 68.868 -0.159 0.000 1.246 283 T HN 0.602 nan 8.240 nan 0.000 0.523 284 G N 2.475 111.210 108.800 -0.109 0.000 2.596 284 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.304 284 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.304 284 G C -0.278 174.608 174.900 -0.023 0.000 1.189 284 G CA 0.595 45.661 45.100 -0.056 0.000 0.986 284 G HN 0.831 nan 8.290 nan 0.000 0.548 288 T N 2.028 116.653 114.554 0.117 0.000 2.653 288 T HA -0.174 4.175 4.350 -0.001 0.000 0.268 288 T C 1.463 176.251 174.700 0.146 0.000 1.035 288 T CA 2.552 64.742 62.100 0.150 0.000 1.154 288 T CB -0.699 68.253 68.868 0.140 0.000 0.862 288 T HN 0.793 nan 8.240 nan 0.000 0.441 289 E N 0.870 121.131 120.200 0.102 0.000 2.097 289 E HA -0.134 4.216 4.350 -0.001 0.000 0.196 289 E C 2.120 178.761 176.600 0.068 0.000 1.000 289 E CA 1.270 57.712 56.400 0.071 0.000 0.804 289 E CB -0.195 29.532 29.700 0.046 0.000 0.740 289 E HN 0.427 nan 8.360 nan 0.000 0.454 290 D N -1.146 119.308 120.400 0.090 0.000 2.162 290 D HA -0.096 4.543 4.640 -0.001 0.000 0.203 290 D C 1.691 178.054 176.300 0.104 0.000 0.967 290 D CA 0.560 54.608 54.000 0.080 0.000 0.840 290 D CB -0.221 40.628 40.800 0.082 0.000 0.972 290 D HN 0.230 nan 8.370 nan 0.000 0.482 291 Y N 1.168 121.487 120.300 0.032 0.000 2.224 291 Y HA -0.197 4.353 4.550 -0.001 0.000 0.289 291 Y C 2.192 178.097 175.900 0.008 0.000 1.146 291 Y CA 0.876 58.998 58.100 0.038 0.000 1.182 291 Y CB -0.076 38.431 38.460 0.078 0.000 0.983 291 Y HN -0.094 nan 8.280 nan 0.000 0.524 292 L N 0.002 121.255 121.223 0.050 0.000 2.012 292 L HA -0.163 4.176 4.340 -0.001 0.000 0.210 292 L C 2.601 179.411 176.870 -0.101 0.000 1.073 292 L CA 2.116 56.929 54.840 -0.045 0.000 0.748 292 L CB -1.160 40.897 42.059 -0.003 0.000 0.891 292 L HN 0.310 nan 8.230 nan 0.000 0.431 293 V N -1.667 118.205 119.914 -0.069 0.000 2.427 293 V HA -0.258 3.861 4.120 -0.001 0.000 0.248 293 V C 2.554 178.590 176.094 -0.097 0.000 1.051 293 V CA 2.141 64.395 62.300 -0.075 0.000 1.048 293 V CB -0.984 30.811 31.823 -0.047 0.000 0.666 293 V HN 0.636 nan 8.190 nan 0.000 0.456 294 K N 0.077 120.406 120.400 -0.119 0.000 2.063 294 K HA -0.224 4.096 4.320 -0.001 0.000 0.208 294 K C 2.518 179.001 176.600 -0.195 0.000 1.048 294 K CA 2.110 58.310 56.287 -0.145 0.000 0.928 294 K CB -0.169 32.236 32.500 -0.158 0.000 0.713 294 K HN 0.495 nan 8.250 nan 0.000 0.442 295 R N -0.670 119.659 120.500 -0.285 0.000 2.140 295 R HA 0.097 4.437 4.340 -0.001 0.000 0.213 295 R C 2.155 178.361 176.300 -0.158 0.000 1.059 295 R CA 0.795 56.739 56.100 -0.261 0.000 1.000 295 R CB 0.012 30.081 30.300 -0.386 0.000 0.910 295 R HN 0.233 nan 8.270 nan 0.000 0.455 296 A N 1.199 123.938 122.820 -0.134 0.000 1.933 296 A HA -0.171 4.149 4.320 -0.001 0.000 0.218 296 A C 1.801 179.337 177.584 -0.081 0.000 1.175 296 A CA 1.325 53.306 52.037 -0.093 0.000 0.628 296 A CB -0.193 18.754 19.000 -0.087 0.000 0.814 296 A HN 0.197 nan 8.150 nan 0.000 0.444 297 K N -0.575 119.775 120.400 -0.083 0.000 2.007 297 K HA -0.114 4.206 4.320 -0.001 0.000 0.206 297 K C 2.025 178.583 176.600 -0.069 0.000 1.047 297 K CA 1.437 57.685 56.287 -0.065 0.000 0.937 297 K CB -0.210 32.256 32.500 -0.056 0.000 0.718 297 K HN 0.579 nan 8.250 nan 0.000 0.438 298 E N 0.085 120.236 120.200 -0.082 0.000 2.070 298 E HA -0.200 4.149 4.350 -0.001 0.000 0.197 298 E C 2.083 178.632 176.600 -0.086 0.000 1.004 298 E CA 1.313 57.665 56.400 -0.079 0.000 0.805 298 E CB -0.252 29.394 29.700 -0.089 0.000 0.744 298 E HN 0.456 nan 8.360 nan 0.000 0.451 299 G N 1.224 109.965 108.800 -0.100 0.000 2.459 299 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.217 299 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.217 299 G C 1.520 176.342 174.900 -0.131 0.000 1.183 299 G CA 0.478 45.506 45.100 -0.119 0.000 0.776 299 G HN 0.175 nan 8.290 nan 0.000 0.552 300 L N 0.306 121.468 121.223 -0.101 0.000 2.127 300 L HA -0.078 4.262 4.340 -0.001 0.000 0.211 300 L C 2.892 179.709 176.870 -0.087 0.000 1.089 300 L CA 1.210 55.997 54.840 -0.088 0.000 0.757 300 L CB -0.223 41.814 42.059 -0.036 0.000 0.899 300 L HN 0.270 nan 8.230 nan 0.000 0.434 301 E N 0.028 120.183 120.200 -0.074 0.000 2.110 301 E HA -0.255 4.094 4.350 -0.001 0.000 0.193 301 E C 1.929 178.493 176.600 -0.061 0.000 0.988 301 E CA 1.277 57.641 56.400 -0.060 0.000 0.804 301 E CB -0.012 29.658 29.700 -0.050 0.000 0.745 301 E HN 0.584 nan 8.360 nan 0.000 0.458 302 E N 0.245 120.396 120.200 -0.082 0.000 2.072 302 E HA -0.084 4.266 4.350 -0.001 0.000 0.191 302 E C 2.121 178.674 176.600 -0.078 0.000 0.985 302 E CA 0.705 57.056 56.400 -0.081 0.000 0.801 302 E CB 0.048 29.681 29.700 -0.113 0.000 0.750 302 E HN 0.007 nan 8.360 nan 0.000 0.452 303 R N 0.024 120.438 120.500 -0.143 0.000 2.092 303 R HA -0.035 4.305 4.340 -0.001 0.000 0.231 303 R C 2.056 178.340 176.300 -0.028 0.000 1.119 303 R CA 0.614 56.622 56.100 -0.154 0.000 0.970 303 R CB -0.578 29.502 30.300 -0.366 0.000 0.864 303 R HN 0.193 nan 8.270 nan 0.000 0.440 304 L N 0.621 121.802 121.223 -0.069 0.000 2.093 304 L HA 0.010 4.349 4.340 -0.001 0.000 0.208 304 L C 2.287 179.162 176.870 0.008 0.000 1.085 304 L CA 1.607 56.405 54.840 -0.069 0.000 0.755 304 L CB -1.201 40.794 42.059 -0.107 0.000 0.904 304 L HN 0.099 nan 8.230 nan 0.000 0.435 305 A N -1.584 121.245 122.820 0.016 0.000 1.968 305 A HA -0.225 4.094 4.320 -0.001 0.000 0.217 305 A C 2.225 179.842 177.584 0.055 0.000 1.169 305 A CA 1.328 53.383 52.037 0.029 0.000 0.638 305 A CB -0.728 18.284 19.000 0.020 0.000 0.812 305 A HN 0.395 nan 8.150 nan 0.000 0.446 306 F N 0.092 120.008 119.950 -0.058 0.000 2.094 306 F HA 0.004 4.530 4.527 -0.001 0.000 0.291 306 F C 1.898 177.656 175.800 -0.070 0.000 1.109 306 F CA 1.471 59.434 58.000 -0.061 0.000 1.221 306 F CB -0.359 38.596 39.000 -0.074 0.000 1.014 306 F HN 0.132 nan 8.300 nan 0.000 0.473 307 L N -0.710 120.524 121.223 0.017 0.000 1.955 307 L HA -0.183 4.156 4.340 -0.001 0.000 0.213 307 L C 0.350 176.970 176.870 -0.417 0.000 1.072 307 L CA 1.223 55.955 54.840 -0.180 0.000 0.755 307 L CB -0.500 41.567 42.059 0.012 0.000 0.888 307 L HN 0.006 nan 8.230 nan 0.000 0.432 308 F N 0.539 120.402 119.950 -0.145 0.000 2.309 308 F HA 0.234 4.761 4.527 -0.001 0.000 0.366 308 F C -1.306 174.424 175.800 -0.116 0.000 1.104 308 F CA -2.447 55.479 58.000 -0.122 0.000 1.179 308 F CB -0.020 38.922 39.000 -0.095 0.000 1.437 308 F HN -0.007 nan 8.300 nan 0.000 0.528 309 P HA -0.138 nan 4.420 nan 0.000 0.224 309 P C 0.383 177.665 177.300 -0.030 0.000 1.268 309 P CA 1.080 64.118 63.100 -0.104 0.000 0.686 309 P CB 0.724 32.346 31.700 -0.130 0.000 0.830 310 D N -2.150 118.233 120.400 -0.029 0.000 2.369 310 D HA 0.062 4.702 4.640 -0.001 0.000 0.211 310 D C 0.487 176.785 176.300 -0.003 0.000 1.077 310 D CA 0.230 54.224 54.000 -0.011 0.000 0.842 310 D CB -0.207 40.586 40.800 -0.011 0.000 0.947 310 D HN 0.403 nan 8.370 nan 0.000 0.509 311 E N 0.506 120.706 120.200 0.000 0.000 2.301 311 E HA 0.135 4.484 4.350 -0.001 0.000 0.275 311 E C 0.195 176.801 176.600 0.010 0.000 1.030 311 E CA -0.339 56.064 56.400 0.005 0.000 0.852 311 E CB 1.193 30.896 29.700 0.006 0.000 1.060 311 E HN -0.350 nan 8.360 nan 0.000 0.401 312 E N 2.186 122.388 120.200 0.003 0.000 2.322 312 E HA -0.028 4.321 4.350 -0.001 0.000 0.195 312 E C 0.308 176.904 176.600 -0.007 0.000 1.198 312 E CA 0.426 56.824 56.400 -0.003 0.000 1.132 312 E CB -0.284 29.412 29.700 -0.006 0.000 1.213 312 E HN 0.711 nan 8.360 nan 0.000 0.450 313 E N -0.466 119.735 120.200 0.002 0.000 2.001 313 E HA -0.203 4.147 4.350 -0.001 0.000 0.193 313 E C 1.591 178.164 176.600 -0.044 0.000 0.994 313 E CA 0.614 57.009 56.400 -0.008 0.000 0.815 313 E CB -0.151 29.561 29.700 0.020 0.000 0.770 313 E HN 0.113 nan 8.360 nan 0.000 0.453 314 R N -0.513 119.956 120.500 -0.051 0.000 3.110 314 R HA -0.355 3.985 4.340 -0.001 0.000 0.325 314 R C 1.851 178.045 176.300 -0.177 0.000 0.816 314 R CA 2.538 58.565 56.100 -0.120 0.000 0.429 314 R CB -1.710 28.557 30.300 -0.055 0.000 0.588 314 R HN 0.300 nan 8.270 nan 0.000 0.271 315 L N 1.775 122.937 121.223 -0.101 0.000 2.326 315 L HA -0.283 4.056 4.340 -0.001 0.000 0.218 315 L C 2.421 179.233 176.870 -0.096 0.000 1.098 315 L CA 2.202 56.993 54.840 -0.082 0.000 0.778 315 L CB -0.785 41.244 42.059 -0.051 0.000 0.893 315 L HN 0.347 nan 8.230 nan 0.000 0.440 316 K N 0.243 120.572 120.400 -0.118 0.000 2.103 316 K HA -0.129 4.190 4.320 -0.001 0.000 0.207 316 K C 1.875 178.391 176.600 -0.139 0.000 1.048 316 K CA 1.603 57.825 56.287 -0.109 0.000 0.930 316 K CB 0.087 32.532 32.500 -0.091 0.000 0.716 316 K HN 0.332 nan 8.250 nan 0.000 0.444 317 R N -0.320 120.036 120.500 -0.240 0.000 2.569 317 R HA 0.123 4.462 4.340 -0.001 0.000 0.422 317 R C 1.512 177.746 176.300 -0.111 0.000 0.980 317 R CA -0.113 55.868 56.100 -0.199 0.000 1.164 317 R CB 0.427 30.594 30.300 -0.222 0.000 1.520 317 R HN 0.004 nan 8.270 nan 0.000 0.567 318 R N 1.377 121.802 120.500 -0.126 0.000 2.096 318 R HA -0.000 4.339 4.340 -0.001 0.000 0.235 318 R C -0.949 175.403 176.300 0.087 0.000 1.127 318 R CA 1.162 57.265 56.100 0.004 0.000 0.968 318 R CB -0.542 29.713 30.300 -0.076 0.000 0.861 318 R HN 0.157 nan 8.270 nan 0.000 0.440 319 P HA -0.226 nan 4.420 nan 0.000 0.215 319 P C 0.827 178.134 177.300 0.011 0.000 1.157 319 P CA 1.419 64.524 63.100 0.009 0.000 0.874 319 P CB -0.233 31.457 31.700 -0.017 0.000 0.790 320 E N -1.108 119.079 120.200 -0.022 0.000 2.187 320 E HA -0.236 4.114 4.350 -0.001 0.000 0.199 320 E C 1.875 178.396 176.600 -0.132 0.000 1.004 320 E CA 1.212 57.553 56.400 -0.097 0.000 0.813 320 E CB -0.360 29.237 29.700 -0.172 0.000 0.736 320 E HN 0.293 nan 8.360 nan 0.000 0.468 321 Y N 0.790 121.073 120.300 -0.029 0.000 2.201 321 Y HA -0.123 4.426 4.550 -0.001 0.000 0.292 321 Y C 2.312 178.206 175.900 -0.011 0.000 1.119 321 Y CA 1.213 59.312 58.100 -0.002 0.000 1.127 321 Y CB -0.045 38.423 38.460 0.013 0.000 1.019 321 Y HN 0.042 nan 8.280 nan 0.000 0.514 322 D N 0.285 120.771 120.400 0.143 0.000 2.149 322 D HA -0.205 4.434 4.640 -0.001 0.000 0.198 322 D C 1.843 178.155 176.300 0.020 0.000 0.990 322 D CA 1.386 55.421 54.000 0.059 0.000 0.839 322 D CB -0.341 40.479 40.800 0.032 0.000 0.948 322 D HN 0.463 nan 8.370 nan 0.000 0.460 323 E N 0.313 120.519 120.200 0.009 0.000 2.021 323 E HA -0.261 4.088 4.350 -0.001 0.000 0.200 323 E C 2.147 178.730 176.600 -0.027 0.000 1.015 323 E CA 1.447 57.837 56.400 -0.015 0.000 0.824 323 E CB 0.089 29.773 29.700 -0.026 0.000 0.762 323 E HN -0.028 nan 8.360 nan 0.000 0.454 324 R N 0.469 120.948 120.500 -0.035 0.000 2.092 324 R HA -0.126 4.214 4.340 -0.001 0.000 0.231 324 R C 2.251 178.506 176.300 -0.075 0.000 1.119 324 R CA 1.110 57.180 56.100 -0.051 0.000 0.970 324 R CB -0.717 29.548 30.300 -0.059 0.000 0.864 324 R HN 0.249 nan 8.270 nan 0.000 0.440 325 L N 0.992 122.191 121.223 -0.041 0.000 2.042 325 L HA -0.131 4.209 4.340 -0.001 0.000 0.210 325 L C 2.036 178.846 176.870 -0.099 0.000 1.076 325 L CA 1.997 56.797 54.840 -0.067 0.000 0.749 325 L CB -0.472 41.579 42.059 -0.013 0.000 0.893 325 L HN 0.344 nan 8.230 nan 0.000 0.432 326 E N -1.296 118.865 120.200 -0.065 0.000 2.086 326 E HA -0.270 4.079 4.350 -0.001 0.000 0.200 326 E C 1.955 178.507 176.600 -0.079 0.000 1.012 326 E CA 2.135 58.499 56.400 -0.060 0.000 0.812 326 E CB -0.183 29.496 29.700 -0.035 0.000 0.743 326 E HN 0.547 nan 8.360 nan 0.000 0.453 327 T N 0.638 115.140 114.554 -0.087 0.000 2.746 327 T HA -0.154 4.195 4.350 -0.001 0.000 0.267 327 T C 1.583 176.181 174.700 -0.171 0.000 1.039 327 T CA 1.316 63.366 62.100 -0.083 0.000 1.142 327 T CB -0.162 68.678 68.868 -0.047 0.000 0.866 327 T HN 0.237 nan 8.240 nan 0.000 0.444 328 E N 0.421 120.407 120.200 -0.356 0.000 2.028 328 E HA -0.028 4.321 4.350 -0.001 0.000 0.190 328 E C 2.199 178.591 176.600 -0.346 0.000 0.984 328 E CA 0.539 56.521 56.400 -0.697 0.000 0.800 328 E CB -0.188 28.959 29.700 -0.921 0.000 0.758 328 E HN 0.170 nan 8.360 nan 0.000 0.448 329 L N 1.586 122.666 121.223 -0.239 0.000 2.013 329 L HA -0.265 4.075 4.340 -0.001 0.000 0.212 329 L C 2.609 179.426 176.870 -0.088 0.000 1.073 329 L CA 2.018 56.764 54.840 -0.156 0.000 0.753 329 L CB -1.153 40.837 42.059 -0.116 0.000 0.890 329 L HN 0.215 nan 8.230 nan 0.000 0.432 330 Q N -1.175 118.586 119.800 -0.065 0.000 2.224 330 Q HA -0.110 4.229 4.340 -0.001 0.000 0.203 330 Q C 1.858 177.865 176.000 0.012 0.000 0.970 330 Q CA 1.876 57.665 55.803 -0.023 0.000 0.865 330 Q CB -0.708 28.021 28.738 -0.015 0.000 0.922 330 Q HN 0.295 nan 8.270 nan 0.000 0.445 331 V N 0.376 120.315 119.914 0.041 0.000 2.302 331 V HA -0.130 3.990 4.120 -0.001 0.000 0.243 331 V C 2.290 178.482 176.094 0.163 0.000 1.036 331 V CA 1.467 63.855 62.300 0.147 0.000 1.020 331 V CB -0.501 31.522 31.823 0.334 0.000 0.657 331 V HN 0.375 nan 8.190 nan 0.000 0.453 332 I N 0.905 121.581 120.570 0.176 0.000 2.145 332 I HA -0.320 3.850 4.170 -0.001 0.000 0.244 332 I C 2.384 178.546 176.117 0.076 0.000 1.075 332 I CA 1.808 63.222 61.300 0.190 0.000 1.332 332 I CB -0.525 37.444 38.000 -0.051 0.000 1.033 332 I HN 0.362 nan 8.210 nan 0.000 0.410 333 N N 0.194 118.902 118.700 0.014 0.000 2.171 333 N HA -0.114 4.625 4.740 -0.001 0.000 0.184 333 N C 1.143 176.631 175.510 -0.038 0.000 1.021 333 N CA 0.596 53.642 53.050 -0.007 0.000 0.854 333 N CB -0.252 38.231 38.487 -0.007 0.000 0.994 333 N HN 0.434 nan 8.380 nan 0.000 0.426 337 F N 1.139 121.195 119.950 0.176 0.000 2.664 337 F HA 0.209 4.735 4.527 -0.001 0.000 0.303 337 F C -0.214 175.819 175.800 0.388 0.000 1.092 337 F CA -1.350 56.827 58.000 0.296 0.000 1.305 337 F CB 0.403 39.660 39.000 0.428 0.000 1.054 337 F HN 0.047 nan 8.300 nan 0.000 0.565 338 P HA -0.179 nan 4.420 nan 0.000 0.216 338 P C 1.938 179.427 177.300 0.315 0.000 1.150 338 P CA 1.876 65.142 63.100 0.277 0.000 0.843 338 P CB -0.133 31.652 31.700 0.142 0.000 0.787 339 G N -1.050 107.914 108.800 0.273 0.000 2.432 339 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.219 339 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.219 339 G C 1.622 176.643 174.900 0.202 0.000 1.135 339 G CA 0.499 45.722 45.100 0.205 0.000 0.767 339 G HN 0.211 nan 8.290 nan 0.000 0.550 340 Y N 0.782 121.184 120.300 0.170 0.000 2.224 340 Y HA -0.044 4.506 4.550 -0.001 0.000 0.289 340 Y C 2.224 178.173 175.900 0.083 0.000 1.146 340 Y CA 1.180 59.291 58.100 0.019 0.000 1.182 340 Y CB -0.259 38.117 38.460 -0.139 0.000 0.983 340 Y HN 0.180 nan 8.280 nan 0.000 0.524 341 F N -1.132 118.861 119.950 0.072 0.000 2.163 341 F HA -0.155 4.371 4.527 -0.001 0.000 0.297 341 F C 2.079 177.811 175.800 -0.114 0.000 1.094 341 F CA 0.716 58.739 58.000 0.038 0.000 1.290 341 F CB -0.918 38.188 39.000 0.177 0.000 1.017 341 F HN 0.028 nan 8.300 nan 0.000 0.483 342 L N 0.222 121.436 121.223 -0.016 0.000 2.042 342 L HA -0.224 4.115 4.340 -0.001 0.000 0.210 342 L C 2.364 179.039 176.870 -0.324 0.000 1.076 342 L CA 1.457 56.017 54.840 -0.466 0.000 0.749 342 L CB -1.267 40.166 42.059 -1.043 0.000 0.893 342 L HN 0.213 nan 8.230 nan 0.000 0.432 343 I N -1.403 119.157 120.570 -0.015 0.000 2.761 343 I HA -0.041 4.128 4.170 -0.001 0.000 0.261 343 I C 1.092 177.372 176.117 0.272 0.000 1.198 343 I CA 0.456 61.971 61.300 0.359 0.000 1.482 343 I CB 0.014 38.210 38.000 0.327 0.000 1.100 343 I HN -0.137 nan 8.210 nan 0.000 0.445 347 F N 3.322 123.399 119.950 0.212 0.000 2.063 347 F HA -0.165 4.362 4.527 -0.001 0.000 0.298 347 F C 2.291 178.139 175.800 0.079 0.000 1.109 347 F CA 2.515 60.596 58.000 0.134 0.000 1.212 347 F CB -0.279 38.733 39.000 0.021 0.000 0.973 347 F HN 0.112 nan 8.300 nan 0.000 0.480 348 I N -0.149 120.459 120.570 0.064 0.000 2.286 348 I HA -0.295 3.874 4.170 -0.001 0.000 0.248 348 I C 2.455 178.486 176.117 -0.144 0.000 1.115 348 I CA 1.162 62.406 61.300 -0.092 0.000 1.392 348 I CB -0.680 37.295 38.000 -0.041 0.000 1.065 348 I HN 0.311 nan 8.210 nan 0.000 0.418 349 Q N -0.141 119.624 119.800 -0.058 0.000 2.084 349 Q HA -0.263 4.077 4.340 -0.001 0.000 0.202 349 Q C 1.939 177.881 176.000 -0.097 0.000 0.978 349 Q CA 1.975 57.741 55.803 -0.061 0.000 0.844 349 Q CB -0.425 28.320 28.738 0.011 0.000 0.898 349 Q HN 0.659 nan 8.270 nan 0.000 0.426 350 W N 1.348 122.463 121.300 -0.308 0.000 2.355 350 W HA -0.236 4.424 4.660 -0.001 0.000 0.309 350 W C 2.506 178.745 176.519 -0.466 0.000 1.206 350 W CA 2.589 59.681 57.345 -0.422 0.000 1.284 350 W CB -0.433 28.618 29.460 -0.681 0.000 1.145 350 W HN 0.206 nan 8.180 nan 0.000 0.502 351 S N 0.221 115.626 115.700 -0.493 0.000 2.383 351 S HA -0.206 4.264 4.470 -0.001 0.000 0.227 351 S C 1.783 176.072 174.600 -0.518 0.000 1.026 351 S CA 1.489 59.276 58.200 -0.689 0.000 0.981 351 S CB -0.652 62.201 63.200 -0.578 0.000 0.818 351 S HN 0.401 nan 8.310 nan 0.000 0.472 352 K N 1.003 121.183 120.400 -0.367 0.000 2.057 352 K HA -0.101 4.219 4.320 -0.001 0.000 0.207 352 K C 1.769 178.186 176.600 -0.305 0.000 1.049 352 K CA 1.747 57.865 56.287 -0.282 0.000 0.931 352 K CB -0.262 32.113 32.500 -0.208 0.000 0.714 352 K HN 0.385 nan 8.250 nan 0.000 0.440 353 D N 0.342 120.531 120.400 -0.352 0.000 2.091 353 D HA -0.060 4.579 4.640 -0.001 0.000 0.199 353 D C 0.647 176.693 176.300 -0.425 0.000 0.980 353 D CA 0.992 54.792 54.000 -0.332 0.000 0.831 353 D CB -0.299 40.333 40.800 -0.280 0.000 0.987 353 D HN 0.152 nan 8.370 nan 0.000 0.460 354 N N -0.748 117.531 118.700 -0.703 0.000 2.332 354 N HA 0.372 5.112 4.740 -0.001 0.000 0.282 354 N C 0.881 176.076 175.510 -0.524 0.000 1.288 354 N CA 0.196 52.827 53.050 -0.698 0.000 0.949 354 N CB 0.261 38.072 38.487 -1.127 0.000 1.108 354 N HN 0.012 nan 8.380 nan 0.000 0.542 355 G N -0.815 107.733 108.800 -0.420 0.000 3.882 355 G HA2 0.358 4.317 3.960 -0.001 0.000 0.283 355 G HA3 0.358 4.317 3.960 -0.001 0.000 0.283 355 G C -0.946 173.802 174.900 -0.253 0.000 1.283 355 G CA -0.160 44.779 45.100 -0.267 0.000 1.402 355 G HN 0.225 nan 8.290 nan 0.000 0.618 356 V N 2.436 122.149 119.914 -0.334 0.000 2.349 356 V HA 0.338 4.457 4.120 -0.001 0.000 0.284 356 V C -2.140 173.831 176.094 -0.204 0.000 1.014 356 V CA -1.775 60.375 62.300 -0.250 0.000 0.826 356 V CB 2.363 34.001 31.823 -0.309 0.000 1.009 356 V HN 0.234 nan 8.190 nan 0.000 0.431 357 P HA 0.287 nan 4.420 nan 0.000 0.280 357 P C -0.564 176.727 177.300 -0.015 0.000 1.244 357 P CA -0.063 62.968 63.100 -0.116 0.000 0.784 357 P CB 1.574 33.184 31.700 -0.149 0.000 0.913 358 V N 0.741 120.643 119.914 -0.018 0.000 2.532 358 V HA 0.736 4.855 4.120 -0.001 0.000 0.295 358 V C 0.912 177.017 176.094 0.019 0.000 1.041 358 V CA -0.771 61.574 62.300 0.076 0.000 0.926 358 V CB 0.792 32.661 31.823 0.076 0.000 0.992 358 V HN 0.683 nan 8.190 nan 0.000 0.457 359 G N 3.447 112.281 108.800 0.056 0.000 2.732 359 G HA2 0.355 4.314 3.960 -0.001 0.000 0.244 359 G HA3 0.355 4.314 3.960 -0.001 0.000 0.244 359 G C -1.569 173.290 174.900 -0.068 0.000 1.226 359 G CA -0.318 44.783 45.100 0.002 0.000 0.860 359 G HN 0.671 nan 8.290 nan 0.000 0.583 360 P HA 0.017 nan 4.420 nan 0.000 0.208 360 P C 1.886 178.994 177.300 -0.319 0.000 1.203 360 P CA 1.625 64.538 63.100 -0.312 0.000 0.920 360 P CB -0.301 31.058 31.700 -0.569 0.000 0.769 361 G N -0.119 108.444 108.800 -0.396 0.000 3.133 361 G HA2 -0.444 3.516 3.960 -0.001 0.000 0.357 361 G HA3 -0.444 3.516 3.960 -0.001 0.000 0.357 361 G C 0.836 175.605 174.900 -0.218 0.000 1.229 361 G CA 1.701 46.701 45.100 -0.167 0.000 1.018 361 G HN 0.239 nan 8.290 nan 0.000 0.635 362 R N 0.664 121.125 120.500 -0.065 0.000 4.018 362 R HA -0.231 4.108 4.340 -0.001 0.000 0.412 362 R C 2.396 178.758 176.300 0.104 0.000 1.112 362 R CA 2.665 58.784 56.100 0.032 0.000 1.358 362 R CB -2.099 28.162 30.300 -0.065 0.000 1.925 362 R HN 2.805 nan 8.270 nan 0.000 0.561 363 G N -0.906 107.902 108.800 0.013 0.000 2.556 363 G HA2 -0.405 3.554 3.960 -0.001 0.000 0.283 363 G HA3 -0.405 3.554 3.960 -0.001 0.000 0.283 363 G C 0.534 175.456 174.900 0.038 0.000 1.177 363 G CA 0.642 45.785 45.100 0.071 0.000 0.978 363 G HN 0.349 nan 8.290 nan 0.000 0.554 364 S N 1.765 117.562 115.700 0.161 0.000 2.572 364 S HA 0.473 4.942 4.470 -0.001 0.000 0.228 364 S C 1.461 175.988 174.600 -0.121 0.000 0.963 364 S CA 0.963 59.252 58.200 0.148 0.000 0.939 364 S CB -0.107 63.258 63.200 0.275 0.000 0.804 364 S HN 1.203 nan 8.310 nan 0.000 0.480 365 G N 0.943 109.449 108.800 -0.491 0.000 2.443 365 G HA2 0.346 4.305 3.960 -0.001 0.000 0.286 365 G HA3 0.346 4.305 3.960 -0.001 0.000 0.286 365 G C 1.031 175.800 174.900 -0.218 0.000 1.393 365 G CA 0.183 44.792 45.100 -0.819 0.000 1.080 365 G HN 0.880 nan 8.290 nan 0.000 0.566 366 A N -2.892 119.901 122.820 -0.046 0.000 4.320 366 A HA -0.176 4.143 4.320 -0.001 0.000 0.253 366 A C 2.260 179.866 177.584 0.036 0.000 0.699 366 A CA 2.326 54.365 52.037 0.003 0.000 1.188 366 A CB -1.913 17.075 19.000 -0.021 0.000 1.126 366 A HN 2.178 nan 8.150 nan 0.000 0.699 367 G N -0.647 108.177 108.800 0.039 0.000 2.744 367 G HA2 0.328 4.288 3.960 -0.001 0.000 0.211 367 G HA3 0.328 4.288 3.960 -0.001 0.000 0.211 367 G C 0.633 175.682 174.900 0.248 0.000 1.143 367 G CA 1.537 46.713 45.100 0.127 0.000 0.788 367 G HN 1.656 nan 8.290 nan 0.000 0.534 368 S N 0.488 116.343 115.700 0.259 0.000 2.404 368 S HA 0.266 4.735 4.470 -0.001 0.000 0.309 368 S C 1.359 176.133 174.600 0.291 0.000 1.076 368 S CA -0.823 57.636 58.200 0.431 0.000 1.095 368 S CB 0.977 64.536 63.200 0.599 0.000 0.972 368 S HN 0.072 nan 8.310 nan 0.000 0.484 369 L N 6.924 128.278 121.223 0.218 0.000 2.051 369 L HA -0.081 4.259 4.340 -0.001 0.000 0.214 369 L C 2.182 179.177 176.870 0.209 0.000 1.076 369 L CA 2.017 56.986 54.840 0.216 0.000 0.758 369 L CB -0.876 41.271 42.059 0.148 0.000 0.890 369 L HN 0.643 nan 8.230 nan 0.000 0.433 370 V N -0.079 119.914 119.914 0.132 0.000 2.332 370 V HA -0.346 3.773 4.120 -0.001 0.000 0.248 370 V C 2.794 179.001 176.094 0.187 0.000 1.055 370 V CA 1.735 64.094 62.300 0.097 0.000 1.038 370 V CB -1.396 30.410 31.823 -0.029 0.000 0.651 370 V HN 0.651 nan 8.190 nan 0.000 0.450 371 A N -1.191 121.814 122.820 0.309 0.000 1.908 371 A HA -0.288 4.031 4.320 -0.001 0.000 0.218 371 A C 2.174 179.828 177.584 0.117 0.000 1.181 371 A CA 2.190 54.353 52.037 0.209 0.000 0.627 371 A CB -0.786 18.330 19.000 0.193 0.000 0.818 371 A HN 0.689 nan 8.150 nan 0.000 0.445 372 Y N 0.238 120.559 120.300 0.034 0.000 2.163 372 Y HA -0.068 4.482 4.550 -0.001 0.000 0.288 372 Y C 2.671 178.564 175.900 -0.012 0.000 1.136 372 Y CA 1.317 59.419 58.100 0.004 0.000 1.147 372 Y CB -0.272 38.216 38.460 0.047 0.000 0.987 372 Y HN 0.338 nan 8.280 nan 0.000 0.509 373 A N 0.602 123.400 122.820 -0.036 0.000 1.908 373 A HA -0.201 4.119 4.320 -0.001 0.000 0.218 373 A C 2.076 179.581 177.584 -0.131 0.000 1.181 373 A CA 1.885 53.841 52.037 -0.135 0.000 0.627 373 A CB -1.125 17.848 19.000 -0.045 0.000 0.818 373 A HN 0.581 nan 8.150 nan 0.000 0.445 374 L N -1.842 119.344 121.223 -0.063 0.000 2.552 374 L HA -0.014 4.326 4.340 -0.001 0.000 0.227 374 L C 0.372 177.183 176.870 -0.099 0.000 1.146 374 L CA 0.726 55.528 54.840 -0.064 0.000 0.858 374 L CB -0.296 41.758 42.059 -0.008 0.000 0.969 374 L HN 0.422 nan 8.230 nan 0.000 0.451 375 K N -1.127 119.197 120.400 -0.127 0.000 3.129 375 K HA -0.221 4.098 4.320 -0.001 0.000 0.273 375 K C 0.807 177.330 176.600 -0.129 0.000 1.123 375 K CA 0.456 56.661 56.287 -0.137 0.000 0.800 375 K CB -1.886 30.522 32.500 -0.153 0.000 1.238 375 K HN 0.292 nan 8.250 nan 0.000 0.492 376 I N 0.235 120.711 120.570 -0.155 0.000 2.406 376 I HA -0.120 4.049 4.170 -0.001 0.000 0.249 376 I C 1.490 177.482 176.117 -0.208 0.000 1.122 376 I CA 1.333 62.477 61.300 -0.260 0.000 1.431 376 I CB 0.050 37.734 38.000 -0.527 0.000 1.087 376 I HN 0.441 nan 8.210 nan 0.000 0.424 377 T N -3.439 111.050 114.554 -0.109 0.000 2.950 377 T HA 0.307 4.656 4.350 -0.001 0.000 0.288 377 T C -0.015 174.749 174.700 0.108 0.000 1.035 377 T CA -0.717 61.370 62.100 -0.023 0.000 1.028 377 T CB 2.239 71.102 68.868 -0.008 0.000 1.109 377 T HN -0.051 nan 8.240 nan 0.000 0.514 378 D N 0.911 121.358 120.400 0.077 0.000 2.513 378 D HA 0.286 4.925 4.640 -0.001 0.000 0.222 378 D C -0.076 176.279 176.300 0.092 0.000 1.210 378 D CA -0.041 54.038 54.000 0.132 0.000 0.825 378 D CB 0.553 41.346 40.800 -0.012 0.000 1.037 378 D HN 0.443 nan 8.370 nan 0.000 0.506 379 L N 0.979 122.165 121.223 -0.061 0.000 2.322 379 L HA 0.271 4.611 4.340 -0.001 0.000 0.279 379 L C 0.204 176.606 176.870 -0.779 0.000 1.036 379 L CA -0.888 53.815 54.840 -0.229 0.000 0.807 379 L CB 1.769 43.757 42.059 -0.117 0.000 1.226 379 L HN -0.231 nan 8.230 nan 0.000 0.433 380 D N 4.447 124.451 120.400 -0.660 0.000 2.374 380 D HA 0.112 4.752 4.640 -0.001 0.000 0.240 380 D C -1.552 174.599 176.300 -0.247 0.000 1.229 380 D CA -1.967 51.596 54.000 -0.727 0.000 0.895 380 D CB 1.161 41.799 40.800 -0.271 0.000 1.046 380 D HN 0.167 nan 8.370 nan 0.000 0.498 381 P HA -0.154 nan 4.420 nan 0.000 0.220 381 P C 1.471 178.758 177.300 -0.022 0.000 1.148 381 P CA 0.390 63.482 63.100 -0.013 0.000 0.803 381 P CB 0.425 32.145 31.700 0.033 0.000 0.782 382 L N -0.028 121.151 121.223 -0.074 0.000 2.156 382 L HA -0.071 4.269 4.340 -0.001 0.000 0.208 382 L C 2.590 179.358 176.870 -0.171 0.000 1.095 382 L CA 1.679 56.442 54.840 -0.130 0.000 0.770 382 L CB -1.641 40.252 42.059 -0.277 0.000 0.914 382 L HN -0.091 nan 8.230 nan 0.000 0.439 383 E N -0.746 119.271 120.200 -0.305 0.000 2.153 383 E HA -0.144 4.205 4.350 -0.001 0.000 0.194 383 E C 1.057 177.196 176.600 -0.768 0.000 0.988 383 E CA 1.347 57.356 56.400 -0.651 0.000 0.811 383 E CB 0.008 29.035 29.700 -1.121 0.000 0.746 383 E HN 0.503 nan 8.360 nan 0.000 0.466 384 F N 0.030 119.965 119.950 -0.025 0.000 2.764 384 F HA 0.249 4.776 4.527 -0.001 0.000 0.310 384 F C -0.221 175.575 175.800 -0.006 0.000 1.124 384 F CA -0.541 57.456 58.000 -0.005 0.000 1.252 384 F CB 0.604 39.602 39.000 -0.004 0.000 1.010 384 F HN -0.246 nan 8.300 nan 0.000 0.518 385 D N 2.195 122.639 120.400 0.074 0.000 2.697 385 D HA -0.187 4.452 4.640 -0.001 0.000 0.235 385 D C -0.381 175.970 176.300 0.084 0.000 1.167 385 D CA 0.699 54.739 54.000 0.067 0.000 0.656 385 D CB -0.844 40.004 40.800 0.078 0.000 1.025 385 D HN 0.321 nan 8.370 nan 0.000 0.419 386 L N 0.339 121.615 121.223 0.089 0.000 2.289 386 L HA 0.425 4.764 4.340 -0.001 0.000 0.285 386 L C 0.895 177.835 176.870 0.116 0.000 1.049 386 L CA -0.684 54.212 54.840 0.094 0.000 0.804 386 L CB 1.118 43.233 42.059 0.093 0.000 1.195 386 L HN -0.078 nan 8.230 nan 0.000 0.428 387 L N 2.707 124.009 121.223 0.132 0.000 2.309 387 L HA 0.238 4.577 4.340 -0.001 0.000 0.282 387 L C 0.698 177.708 176.870 0.233 0.000 1.036 387 L CA -0.372 54.569 54.840 0.168 0.000 0.806 387 L CB 1.596 43.736 42.059 0.135 0.000 1.220 387 L HN 0.585 nan 8.230 nan 0.000 0.429 388 F N 2.182 122.221 119.950 0.149 0.000 2.259 388 F HA -0.110 4.417 4.527 -0.001 0.000 0.298 388 F C 2.165 178.110 175.800 0.242 0.000 1.088 388 F CA 1.041 59.173 58.000 0.219 0.000 1.358 388 F CB 0.341 39.458 39.000 0.195 0.000 1.040 388 F HN 0.619 nan 8.300 nan 0.000 0.505 389 E N 0.169 120.371 120.200 0.003 0.000 2.358 389 E HA -0.148 4.202 4.350 -0.001 0.000 0.195 389 E C 1.890 178.444 176.600 -0.076 0.000 1.010 389 E CA 0.286 56.619 56.400 -0.112 0.000 0.856 389 E CB -0.754 28.978 29.700 0.053 0.000 0.795 389 E HN 0.390 nan 8.360 nan 0.000 0.504 390 R N -0.053 120.456 120.500 0.015 0.000 2.316 390 R HA -0.026 4.313 4.340 -0.001 0.000 0.202 390 R C 1.062 177.403 176.300 0.069 0.000 1.029 390 R CA 0.413 56.540 56.100 0.044 0.000 1.018 390 R CB -0.133 30.219 30.300 0.086 0.000 0.888 390 R HN 0.212 nan 8.270 nan 0.000 0.471 391 F N -0.825 119.019 119.950 -0.177 0.000 2.557 391 F HA 0.326 4.852 4.527 -0.001 0.000 0.278 391 F C 0.037 175.664 175.800 -0.288 0.000 1.051 391 F CA 0.117 57.999 58.000 -0.197 0.000 1.357 391 F CB 0.603 39.525 39.000 -0.130 0.000 1.104 391 F HN -0.217 nan 8.300 nan 0.000 0.654 392 L N 1.802 122.660 121.223 -0.608 0.000 2.441 392 L HA 0.343 4.682 4.340 -0.001 0.000 0.270 392 L C -1.500 175.119 176.870 -0.418 0.000 0.973 392 L CA -0.739 53.752 54.840 -0.581 0.000 0.842 392 L CB 1.548 43.286 42.059 -0.535 0.000 1.239 392 L HN 0.021 nan 8.230 nan 0.000 0.406 393 N N 4.929 123.515 118.700 -0.189 0.000 2.483 393 N HA 0.429 5.169 4.740 -0.001 0.000 0.267 393 N C -2.144 173.367 175.510 0.001 0.000 0.998 393 N CA -1.962 51.043 53.050 -0.075 0.000 0.918 393 N CB 2.208 40.660 38.487 -0.059 0.000 1.215 393 N HN 0.139 nan 8.380 nan 0.000 0.500 394 P HA -0.085 nan 4.420 nan 0.000 0.221 394 P C 0.477 177.805 177.300 0.046 0.000 1.145 394 P CA 0.987 64.128 63.100 0.069 0.000 0.795 394 P CB 0.403 32.159 31.700 0.094 0.000 0.775 395 E N -0.493 119.732 120.200 0.042 0.000 2.482 395 E HA -0.050 4.300 4.350 -0.001 0.000 0.196 395 E C 0.621 177.235 176.600 0.025 0.000 1.047 395 E CA 0.000 56.423 56.400 0.037 0.000 0.869 395 E CB 0.095 29.824 29.700 0.049 0.000 0.836 395 E HN 0.272 nan 8.360 nan 0.000 0.520 396 R N -1.173 119.336 120.500 0.014 0.000 2.604 396 R HA 0.375 4.715 4.340 -0.001 0.000 0.281 396 R C -1.117 175.182 176.300 -0.001 0.000 1.020 396 R CA -0.839 55.262 56.100 0.002 0.000 0.899 396 R CB 1.318 31.611 30.300 -0.011 0.000 1.205 396 R HN -0.215 nan 8.270 nan 0.000 0.450 397 V N 3.181 123.093 119.914 -0.004 0.000 2.485 397 V HA 0.243 4.362 4.120 -0.001 0.000 0.287 397 V C 0.221 176.298 176.094 -0.029 0.000 1.022 397 V CA 0.826 63.122 62.300 -0.006 0.000 1.067 397 V CB 0.384 32.198 31.823 -0.016 0.000 0.967 397 V HN 1.008 nan 8.190 nan 0.000 0.479 401 D N 1.254 121.439 120.400 -0.358 0.000 2.620 401 D HA 0.331 4.970 4.640 -0.001 0.000 0.252 401 D C -0.132 176.250 176.300 0.137 0.000 1.207 401 D CA -0.513 53.472 54.000 -0.024 0.000 0.884 401 D CB 0.950 41.752 40.800 0.004 0.000 1.262 401 D HN 0.220 nan 8.370 nan 0.000 0.552 402 F N 1.183 121.383 119.950 0.417 0.000 2.816 402 F HA 0.017 4.543 4.527 -0.001 0.000 0.302 402 F C 0.698 176.587 175.800 0.149 0.000 1.178 402 F CA -0.265 57.873 58.000 0.230 0.000 1.421 402 F CB 0.052 39.122 39.000 0.116 0.000 1.114 402 F HN 0.252 nan 8.300 nan 0.000 0.573 403 D N 0.847 121.429 120.400 0.305 0.000 2.755 403 D HA -0.186 4.454 4.640 -0.001 0.000 0.227 403 D C -0.062 176.364 176.300 0.211 0.000 1.211 403 D CA 0.327 54.464 54.000 0.229 0.000 0.663 403 D CB -1.141 39.767 40.800 0.179 0.000 0.983 403 D HN 0.048 nan 8.370 nan 0.000 0.407 404 V N 1.051 121.115 119.914 0.250 0.000 2.607 404 V HA 0.403 4.522 4.120 -0.001 0.000 0.289 404 V C 0.238 176.441 176.094 0.182 0.000 1.053 404 V CA -0.041 62.354 62.300 0.159 0.000 0.996 404 V CB 1.778 33.609 31.823 0.013 0.000 0.995 404 V HN 0.442 nan 8.190 nan 0.000 0.476 405 D N 4.101 124.612 120.400 0.185 0.000 2.602 405 D HA 0.639 5.279 4.640 -0.001 0.000 0.236 405 D C -0.794 175.674 176.300 0.280 0.000 1.209 405 D CA -0.596 53.504 54.000 0.167 0.000 0.831 405 D CB 1.603 42.449 40.800 0.078 0.000 1.478 405 D HN 0.379 nan 8.370 nan 0.000 0.438 406 F N -1.643 118.446 119.950 0.232 0.000 2.675 406 F HA 0.773 5.299 4.527 -0.001 0.000 0.324 406 F C -0.494 175.427 175.800 0.201 0.000 1.106 406 F CA -1.327 56.793 58.000 0.201 0.000 0.970 406 F CB 0.497 39.654 39.000 0.262 0.000 1.385 406 F HN 0.469 nan 8.300 nan 0.000 0.489 410 K N 1.951 122.417 120.400 0.111 0.000 2.487 410 K HA 0.094 4.414 4.320 -0.001 0.000 0.192 410 K C 1.758 178.502 176.600 0.240 0.000 1.027 410 K CA 0.414 56.801 56.287 0.167 0.000 1.054 410 K CB 0.051 32.657 32.500 0.176 0.000 0.824 410 K HN 0.159 nan 8.250 nan 0.000 0.510 411 R N 0.926 121.585 120.500 0.264 0.000 2.134 411 R HA -0.243 4.097 4.340 -0.001 0.000 0.248 411 R C 0.873 177.345 176.300 0.286 0.000 1.143 411 R CA 2.104 58.435 56.100 0.385 0.000 0.957 411 R CB -0.728 29.692 30.300 0.200 0.000 0.867 411 R HN 0.072 nan 8.270 nan 0.000 0.441 412 D N 0.589 121.106 120.400 0.195 0.000 2.123 412 D HA -0.181 4.459 4.640 -0.001 0.000 0.196 412 D C 2.134 178.538 176.300 0.172 0.000 0.992 412 D CA 1.386 55.487 54.000 0.168 0.000 0.833 412 D CB -0.323 40.554 40.800 0.129 0.000 0.954 412 D HN 0.459 nan 8.370 nan 0.000 0.455 413 Q N 0.026 119.939 119.800 0.188 0.000 2.050 413 Q HA -0.130 4.210 4.340 -0.001 0.000 0.202 413 Q C 2.384 178.565 176.000 0.302 0.000 0.980 413 Q CA 1.423 57.375 55.803 0.248 0.000 0.840 413 Q CB 0.049 28.934 28.738 0.245 0.000 0.898 413 Q HN 0.293 nan 8.270 nan 0.000 0.424 414 V N -1.263 118.798 119.914 0.244 0.000 2.488 414 V HA -0.163 3.957 4.120 -0.001 0.000 0.246 414 V C 1.932 178.068 176.094 0.069 0.000 1.046 414 V CA 1.185 63.532 62.300 0.077 0.000 1.053 414 V CB -0.410 31.380 31.823 -0.055 0.000 0.679 414 V HN 0.297 nan 8.190 nan 0.000 0.458 415 I N 0.830 121.498 120.570 0.164 0.000 2.151 415 I HA -0.249 3.920 4.170 -0.001 0.000 0.243 415 I C 2.662 178.821 176.117 0.069 0.000 1.080 415 I CA 2.325 63.713 61.300 0.147 0.000 1.339 415 I CB -0.522 37.587 38.000 0.182 0.000 1.039 415 I HN 0.489 nan 8.210 nan 0.000 0.409 416 E N 0.795 121.044 120.200 0.081 0.000 2.068 416 E HA -0.365 3.984 4.350 -0.001 0.000 0.207 416 E C 2.105 178.691 176.600 -0.022 0.000 1.032 416 E CA 2.420 58.851 56.400 0.052 0.000 0.839 416 E CB -0.359 29.404 29.700 0.104 0.000 0.758 416 E HN 0.643 nan 8.360 nan 0.000 0.457 417 H N -0.836 118.116 119.070 -0.196 0.000 2.363 417 H HA 0.042 4.597 4.556 -0.001 0.000 0.301 417 H C 2.041 177.135 175.328 -0.390 0.000 1.074 417 H CA 1.755 57.552 56.048 -0.418 0.000 1.354 417 H CB -0.445 28.636 29.762 -1.135 0.000 1.397 417 H HN 0.120 nan 8.280 nan 0.000 0.516 418 V N 0.567 120.266 119.914 -0.358 0.000 2.720 418 V HA -0.176 3.943 4.120 -0.001 0.000 0.256 418 V C 2.356 178.344 176.094 -0.177 0.000 1.082 418 V CA 1.568 63.741 62.300 -0.212 0.000 1.101 418 V CB -0.880 31.026 31.823 0.139 0.000 0.693 418 V HN 0.739 nan 8.190 nan 0.000 0.479 419 A N -1.191 121.537 122.820 -0.153 0.000 2.132 419 A HA 0.038 4.357 4.320 -0.001 0.000 0.213 419 A C 1.014 178.485 177.584 -0.187 0.000 1.154 419 A CA 0.280 52.253 52.037 -0.107 0.000 0.753 419 A CB -0.260 18.717 19.000 -0.038 0.000 0.826 419 A HN 0.529 nan 8.150 nan 0.000 0.469 423 G N 1.482 110.271 108.800 -0.017 0.000 3.225 423 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.686 423 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.686 423 G C 0.248 175.147 174.900 -0.001 0.000 1.105 423 G CA -0.435 44.656 45.100 -0.015 0.000 0.831 423 G HN -0.000 nan 8.290 nan 0.000 0.578 424 R N 1.797 122.288 120.500 -0.014 0.000 2.248 424 R HA -0.249 4.091 4.340 -0.001 0.000 0.236 424 R C 2.138 178.444 176.300 0.009 0.000 1.111 424 R CA 2.669 58.767 56.100 -0.003 0.000 0.894 424 R CB -0.846 29.451 30.300 -0.006 0.000 0.905 424 R HN 0.847 nan 8.270 nan 0.000 0.426 425 D N -0.310 120.095 120.400 0.007 0.000 2.363 425 D HA 0.072 4.712 4.640 -0.001 0.000 0.226 425 D C 1.080 177.391 176.300 0.020 0.000 1.020 425 D CA 0.743 54.750 54.000 0.011 0.000 0.892 425 D CB 0.025 40.827 40.800 0.004 0.000 0.900 425 D HN 0.315 nan 8.370 nan 0.000 0.531 426 A N 0.110 122.944 122.820 0.023 0.000 2.218 426 A HA 0.258 4.578 4.320 -0.001 0.000 0.209 426 A C 0.680 178.266 177.584 0.003 0.000 1.168 426 A CA 0.002 52.050 52.037 0.019 0.000 0.804 426 A CB 0.307 19.326 19.000 0.032 0.000 0.834 426 A HN 0.170 nan 8.150 nan 0.000 0.482 427 V N -0.279 119.646 119.914 0.018 0.000 2.628 427 V HA 0.707 4.827 4.120 -0.001 0.000 0.306 427 V C -0.175 175.938 176.094 0.032 0.000 1.045 427 V CA -0.107 62.208 62.300 0.025 0.000 0.905 427 V CB 1.651 33.502 31.823 0.047 0.000 0.997 427 V HN 0.300 nan 8.190 nan 0.000 0.436 428 S N 3.055 118.777 115.700 0.036 0.000 2.565 428 S HA 0.470 4.939 4.470 -0.001 0.000 0.274 428 S C -1.254 173.382 174.600 0.061 0.000 1.144 428 S CA -0.705 57.522 58.200 0.046 0.000 0.849 428 S CB 1.912 65.124 63.200 0.019 0.000 1.103 428 S HN 0.718 nan 8.310 nan 0.000 0.455 429 Q N 1.526 121.380 119.800 0.090 0.000 2.249 429 Q HA 0.591 4.931 4.340 -0.001 0.000 0.226 429 Q C -0.630 175.383 176.000 0.022 0.000 0.983 429 Q CA -0.542 55.317 55.803 0.094 0.000 0.930 429 Q CB 0.985 29.839 28.738 0.193 0.000 1.193 429 Q HN 0.631 nan 8.270 nan 0.000 0.508 430 I N 1.207 121.760 120.570 -0.029 0.000 2.433 430 I HA 0.316 4.486 4.170 -0.001 0.000 0.292 430 I C -0.082 175.972 176.117 -0.105 0.000 1.001 430 I CA -0.738 60.517 61.300 -0.074 0.000 1.119 430 I CB 1.497 39.427 38.000 -0.116 0.000 1.289 430 I HN 0.543 nan 8.210 nan 0.000 0.438 431 I N 5.278 125.745 120.570 -0.170 0.000 2.993 431 I HA 0.081 4.250 4.170 -0.001 0.000 0.286 431 I C 0.234 176.103 176.117 -0.414 0.000 1.215 431 I CA 0.601 61.695 61.300 -0.343 0.000 1.393 431 I CB 0.857 38.532 38.000 -0.542 0.000 1.371 431 I HN 0.728 nan 8.210 nan 0.000 0.602 432 T N 3.043 117.303 114.554 -0.490 0.000 2.900 432 T HA 0.558 4.908 4.350 -0.001 0.000 0.295 432 T C -0.769 173.586 174.700 -0.576 0.000 1.044 432 T CA -0.686 61.174 62.100 -0.400 0.000 0.995 432 T CB 1.295 70.097 68.868 -0.110 0.000 1.072 432 T HN 0.288 nan 8.240 nan 0.000 0.473 433 F N 0.338 120.313 119.950 0.042 0.000 2.492 433 F HA 0.681 5.208 4.527 -0.001 0.000 0.327 433 F C 1.083 176.918 175.800 0.057 0.000 1.079 433 F CA -0.838 57.196 58.000 0.057 0.000 0.967 433 F CB 1.764 40.846 39.000 0.137 0.000 1.169 433 F HN 0.957 nan 8.300 nan 0.000 0.472 434 G N 0.704 109.648 108.800 0.240 0.000 2.356 434 G HA2 0.529 4.489 3.960 -0.001 0.000 0.298 434 G HA3 0.529 4.489 3.960 -0.001 0.000 0.298 434 G C -0.447 174.544 174.900 0.152 0.000 1.145 434 G CA -0.390 44.807 45.100 0.161 0.000 0.850 434 G HN 0.712 nan 8.290 nan 0.000 0.487 438 A N 0.483 123.314 122.820 0.018 0.000 1.887 438 A HA -0.297 4.023 4.320 -0.001 0.000 0.225 438 A C 1.895 179.492 177.584 0.022 0.000 1.464 438 A CA 2.908 54.958 52.037 0.021 0.000 0.717 438 A CB -1.112 17.904 19.000 0.026 0.000 0.848 438 A HN 0.839 nan 8.150 nan 0.000 0.477 439 K N -1.089 119.324 120.400 0.022 0.000 2.057 439 K HA -0.016 4.303 4.320 -0.001 0.000 0.207 439 K C 2.373 178.982 176.600 0.015 0.000 1.049 439 K CA 1.149 57.445 56.287 0.015 0.000 0.931 439 K CB -0.315 32.197 32.500 0.019 0.000 0.714 439 K HN 0.528 nan 8.250 nan 0.000 0.440 440 A N 0.745 123.581 122.820 0.026 0.000 1.897 440 A HA -0.097 4.222 4.320 -0.001 0.000 0.215 440 A C 2.237 179.836 177.584 0.026 0.000 1.181 440 A CA 1.165 53.221 52.037 0.032 0.000 0.620 440 A CB -0.608 18.417 19.000 0.041 0.000 0.821 440 A HN 0.159 nan 8.150 nan 0.000 0.443 441 V N -0.228 119.699 119.914 0.022 0.000 2.515 441 V HA -0.174 3.945 4.120 -0.001 0.000 0.250 441 V C 2.215 178.320 176.094 0.018 0.000 1.058 441 V CA 1.943 64.255 62.300 0.019 0.000 1.064 441 V CB -0.368 31.462 31.823 0.012 0.000 0.675 441 V HN 0.562 nan 8.190 nan 0.000 0.461 442 I N -0.515 120.064 120.570 0.014 0.000 2.286 442 I HA -0.170 4.000 4.170 -0.001 0.000 0.245 442 I C 2.623 178.738 176.117 -0.003 0.000 1.104 442 I CA 1.402 62.709 61.300 0.010 0.000 1.397 442 I CB -0.254 37.748 38.000 0.004 0.000 1.072 442 I HN 0.210 nan 8.210 nan 0.000 0.417 443 R N 0.939 121.427 120.500 -0.019 0.000 2.083 443 R HA -0.193 4.146 4.340 -0.001 0.000 0.237 443 R C 1.753 178.060 176.300 0.012 0.000 1.137 443 R CA 1.899 57.975 56.100 -0.039 0.000 0.951 443 R CB -0.259 30.032 30.300 -0.014 0.000 0.851 443 R HN 0.325 nan 8.270 nan 0.000 0.434 444 D N -1.047 119.371 120.400 0.030 0.000 2.183 444 D HA -0.062 4.577 4.640 -0.001 0.000 0.205 444 D C 1.862 178.189 176.300 0.046 0.000 0.962 444 D CA 0.921 54.947 54.000 0.043 0.000 0.849 444 D CB -0.150 40.675 40.800 0.041 0.000 0.978 444 D HN 0.052 nan 8.370 nan 0.000 0.488 445 V N 1.249 121.189 119.914 0.042 0.000 2.427 445 V HA -0.120 4.000 4.120 -0.001 0.000 0.248 445 V C 2.547 178.696 176.094 0.092 0.000 1.051 445 V CA 1.936 64.266 62.300 0.051 0.000 1.048 445 V CB -1.000 30.847 31.823 0.040 0.000 0.666 445 V HN 0.221 nan 8.190 nan 0.000 0.456 446 G N 0.007 108.872 108.800 0.108 0.000 2.446 446 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.217 446 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.217 446 G C 1.695 176.702 174.900 0.178 0.000 1.168 446 G CA 1.132 46.346 45.100 0.190 0.000 0.771 446 G HN 0.442 nan 8.290 nan 0.000 0.551 447 R N 0.003 120.568 120.500 0.108 0.000 2.080 447 R HA -0.083 4.256 4.340 -0.001 0.000 0.236 447 R C 2.610 178.948 176.300 0.063 0.000 1.137 447 R CA 1.925 58.080 56.100 0.090 0.000 0.943 447 R CB -0.632 29.717 30.300 0.081 0.000 0.846 447 R HN 0.244 nan 8.270 nan 0.000 0.431 448 V N 1.535 121.484 119.914 0.058 0.000 2.392 448 V HA -0.222 3.898 4.120 -0.001 0.000 0.249 448 V C 2.167 178.271 176.094 0.017 0.000 1.059 448 V CA 1.589 63.913 62.300 0.041 0.000 1.051 448 V CB -0.315 31.529 31.823 0.035 0.000 0.658 448 V HN 0.354 nan 8.190 nan 0.000 0.455 449 L N 0.351 121.592 121.223 0.030 0.000 2.650 449 L HA 0.247 4.587 4.340 -0.001 0.000 0.235 449 L C 1.643 178.389 176.870 -0.206 0.000 1.149 449 L CA 0.840 55.663 54.840 -0.029 0.000 0.887 449 L CB -0.578 41.527 42.059 0.076 0.000 1.021 449 L HN 0.544 nan 8.230 nan 0.000 0.441 450 G N -1.058 107.651 108.800 -0.153 0.000 2.132 450 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.234 450 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.234 450 G C 0.189 174.905 174.900 -0.308 0.000 0.989 450 G CA -0.439 44.534 45.100 -0.211 0.000 0.676 450 G HN 0.413 nan 8.290 nan 0.000 0.522 451 H N 0.826 119.854 119.070 -0.069 0.000 2.551 451 H HA 0.391 4.946 4.556 -0.001 0.000 0.358 451 H C -1.917 173.422 175.328 0.018 0.000 1.151 451 H CA -0.744 55.244 56.048 -0.100 0.000 1.374 451 H CB 0.925 30.620 29.762 -0.112 0.000 1.473 451 H HN 0.203 nan 8.280 nan 0.000 0.574 452 P HA 0.003 nan 4.420 nan 0.000 0.276 452 P C 0.766 178.212 177.300 0.244 0.000 1.244 452 P CA -0.349 62.861 63.100 0.184 0.000 0.801 452 P CB 0.831 32.624 31.700 0.154 0.000 1.006 453 Y N 1.597 121.965 120.300 0.114 0.000 2.069 453 Y HA -0.282 4.268 4.550 -0.001 0.000 0.278 453 Y C 2.532 178.497 175.900 0.108 0.000 1.175 453 Y CA 2.911 61.071 58.100 0.100 0.000 1.134 453 Y CB -1.056 37.442 38.460 0.064 0.000 0.965 453 Y HN 0.522 nan 8.280 nan 0.000 0.498 454 G N -0.844 108.123 108.800 0.278 0.000 2.469 454 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.219 454 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.219 454 G C 1.649 176.609 174.900 0.101 0.000 1.150 454 G CA 0.951 46.159 45.100 0.179 0.000 0.763 454 G HN 0.530 nan 8.290 nan 0.000 0.561 455 F N 0.900 120.854 119.950 0.007 0.000 2.026 455 F HA -0.130 4.397 4.527 -0.001 0.000 0.296 455 F C 2.678 178.414 175.800 -0.106 0.000 1.133 455 F CA 2.106 60.082 58.000 -0.039 0.000 1.188 455 F CB -0.677 38.316 39.000 -0.013 0.000 0.968 455 F HN 0.024 nan 8.300 nan 0.000 0.476 456 V N 0.429 120.366 119.914 0.039 0.000 2.392 456 V HA -0.337 3.782 4.120 -0.001 0.000 0.249 456 V C 1.891 177.830 176.094 -0.259 0.000 1.059 456 V CA 2.707 64.928 62.300 -0.131 0.000 1.051 456 V CB -0.661 31.134 31.823 -0.048 0.000 0.658 456 V HN 0.564 nan 8.190 nan 0.000 0.455 457 D N -0.902 119.323 120.400 -0.292 0.000 2.263 457 D HA -0.180 4.459 4.640 -0.001 0.000 0.208 457 D C 2.282 178.484 176.300 -0.164 0.000 0.971 457 D CA 0.965 54.811 54.000 -0.256 0.000 0.867 457 D CB -0.087 40.590 40.800 -0.206 0.000 0.929 457 D HN 0.369 nan 8.370 nan 0.000 0.492 458 R N -0.500 119.882 120.500 -0.197 0.000 2.081 458 R HA -0.027 4.312 4.340 -0.001 0.000 0.235 458 R C 2.187 178.371 176.300 -0.194 0.000 1.131 458 R CA 1.144 57.130 56.100 -0.189 0.000 0.960 458 R CB -0.110 30.047 30.300 -0.238 0.000 0.856 458 R HN 0.316 nan 8.270 nan 0.000 0.436 459 I N -0.598 119.827 120.570 -0.242 0.000 2.353 459 I HA -0.205 3.965 4.170 -0.001 0.000 0.248 459 I C 2.114 178.165 176.117 -0.110 0.000 1.119 459 I CA 0.977 62.171 61.300 -0.175 0.000 1.417 459 I CB -0.229 37.667 38.000 -0.174 0.000 1.078 459 I HN 0.047 nan 8.210 nan 0.000 0.421 460 S N 0.574 116.206 115.700 -0.112 0.000 2.399 460 S HA -0.145 4.324 4.470 -0.001 0.000 0.231 460 S C 1.947 176.515 174.600 -0.052 0.000 1.022 460 S CA 1.266 59.423 58.200 -0.073 0.000 0.983 460 S CB -0.149 62.997 63.200 -0.091 0.000 0.803 460 S HN 0.360 nan 8.310 nan 0.000 0.480 461 K N 0.616 120.979 120.400 -0.061 0.000 2.365 461 K HA 0.109 4.429 4.320 -0.001 0.000 0.199 461 K C 1.494 178.066 176.600 -0.047 0.000 1.045 461 K CA 0.583 56.845 56.287 -0.042 0.000 0.962 461 K CB -0.107 32.369 32.500 -0.039 0.000 0.759 461 K HN 0.328 nan 8.250 nan 0.000 0.469 462 L N 0.928 122.112 121.223 -0.066 0.000 2.418 462 L HA 0.025 4.365 4.340 -0.001 0.000 0.218 462 L C 0.529 177.362 176.870 -0.062 0.000 1.125 462 L CA -0.006 54.787 54.840 -0.078 0.000 0.835 462 L CB 0.005 41.995 42.059 -0.116 0.000 0.953 462 L HN 0.074 nan 8.230 nan 0.000 0.454 463 I N 1.599 122.147 120.570 -0.036 0.000 2.517 463 I HA 0.130 4.300 4.170 -0.001 0.000 0.285 463 I C -1.937 174.174 176.117 -0.009 0.000 1.106 463 I CA -1.949 59.345 61.300 -0.010 0.000 1.402 463 I CB -0.211 37.794 38.000 0.008 0.000 1.399 463 I HN -0.198 nan 8.210 nan 0.000 0.535 464 P HA 0.134 nan 4.420 nan 0.000 0.269 464 P C -1.844 175.458 177.300 0.004 0.000 1.215 464 P CA -0.809 62.288 63.100 -0.006 0.000 0.780 464 P CB 0.029 31.725 31.700 -0.007 0.000 0.898 465 P HA 0.045 nan 4.420 nan 0.000 0.251 465 P C -0.564 176.744 177.300 0.013 0.000 1.223 465 P CA 0.371 63.478 63.100 0.012 0.000 0.796 465 P CB 0.103 31.810 31.700 0.012 0.000 1.068 466 D N 3.309 123.715 120.400 0.009 0.000 2.629 466 D HA -0.001 4.638 4.640 -0.001 0.000 0.228 466 D C -1.591 174.717 176.300 0.013 0.000 1.127 466 D CA -0.208 53.797 54.000 0.009 0.000 0.855 466 D CB -0.677 40.125 40.800 0.004 0.000 1.180 466 D HN 0.273 nan 8.370 nan 0.000 0.484 467 P HA 0.246 nan 4.420 nan 0.000 0.269 467 P C 0.676 177.986 177.300 0.016 0.000 1.209 467 P CA -0.000 63.111 63.100 0.019 0.000 0.776 467 P CB 0.513 32.225 31.700 0.021 0.000 0.876 471 L N 1.949 123.179 121.223 0.011 0.000 2.046 471 L HA 0.044 4.384 4.340 -0.001 0.000 0.208 471 L C 3.110 179.995 176.870 0.026 0.000 1.077 471 L CA 1.992 56.849 54.840 0.028 0.000 0.747 471 L CB -0.759 41.266 42.059 -0.055 0.000 0.896 471 L HN 0.865 nan 8.230 nan 0.000 0.432 472 A N -0.045 122.749 122.820 -0.044 0.000 1.940 472 A HA -0.227 4.092 4.320 -0.001 0.000 0.219 472 A C 2.337 179.948 177.584 0.045 0.000 1.176 472 A CA 1.736 53.746 52.037 -0.044 0.000 0.631 472 A CB -0.323 18.639 19.000 -0.063 0.000 0.814 472 A HN 0.331 nan 8.150 nan 0.000 0.446 473 K N -0.597 119.827 120.400 0.039 0.000 2.103 473 K HA 0.051 4.371 4.320 -0.001 0.000 0.204 473 K C 2.319 178.956 176.600 0.061 0.000 1.052 473 K CA 0.893 57.202 56.287 0.037 0.000 0.945 473 K CB -0.266 32.244 32.500 0.016 0.000 0.722 473 K HN 0.426 nan 8.250 nan 0.000 0.443 474 A N 0.803 123.680 122.820 0.095 0.000 1.933 474 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 474 A C 1.834 179.470 177.584 0.087 0.000 1.175 474 A CA 1.265 53.355 52.037 0.089 0.000 0.628 474 A CB -0.613 18.459 19.000 0.120 0.000 0.814 474 A HN 0.178 nan 8.150 nan 0.000 0.444 475 F N 0.063 119.976 119.950 -0.062 0.000 2.293 475 F HA -0.044 4.483 4.527 -0.001 0.000 0.300 475 F C 2.349 178.109 175.800 -0.066 0.000 1.086 475 F CA 1.427 59.382 58.000 -0.077 0.000 1.375 475 F CB -0.259 38.674 39.000 -0.112 0.000 1.045 475 F HN 0.341 nan 8.300 nan 0.000 0.516 476 E N -0.438 119.819 120.200 0.096 0.000 2.046 476 E HA -0.134 4.216 4.350 -0.001 0.000 0.190 476 E C 2.276 178.869 176.600 -0.012 0.000 0.982 476 E CA 1.044 57.462 56.400 0.029 0.000 0.800 476 E CB -0.194 29.518 29.700 0.020 0.000 0.756 476 E HN 0.301 nan 8.360 nan 0.000 0.449 477 A N 0.491 123.300 122.820 -0.018 0.000 2.081 477 A HA -0.018 4.301 4.320 -0.001 0.000 0.214 477 A C 0.918 178.467 177.584 -0.058 0.000 1.158 477 A CA 0.378 52.395 52.037 -0.033 0.000 0.724 477 A CB 0.306 19.292 19.000 -0.023 0.000 0.826 477 A HN 0.039 nan 8.150 nan 0.000 0.463 478 E N -0.185 119.958 120.200 -0.094 0.000 2.346 478 E HA 0.405 4.755 4.350 -0.001 0.000 0.239 478 E C -2.334 174.158 176.600 -0.180 0.000 0.943 478 E CA -2.503 53.820 56.400 -0.129 0.000 0.751 478 E CB 1.073 30.690 29.700 -0.138 0.000 1.241 478 E HN 0.005 nan 8.360 nan 0.000 0.423 479 P HA -0.205 nan 4.420 nan 0.000 0.221 479 P C 0.617 177.831 177.300 -0.144 0.000 1.141 479 P CA 1.275 64.302 63.100 -0.121 0.000 0.794 479 P CB 0.276 31.930 31.700 -0.078 0.000 0.764 480 Q N -1.850 117.854 119.800 -0.161 0.000 2.245 480 Q HA -0.050 4.289 4.340 -0.001 0.000 0.201 480 Q C 1.684 177.552 176.000 -0.220 0.000 0.955 480 Q CA 0.528 56.239 55.803 -0.154 0.000 0.870 480 Q CB -0.362 28.300 28.738 -0.127 0.000 0.945 480 Q HN 0.197 nan 8.270 nan 0.000 0.461 481 L N 0.748 121.743 121.223 -0.380 0.000 2.005 481 L HA -0.087 4.252 4.340 -0.001 0.000 0.207 481 L C -0.709 175.810 176.870 -0.586 0.000 1.072 481 L CA 1.847 56.288 54.840 -0.665 0.000 0.744 481 L CB -1.701 39.566 42.059 -1.320 0.000 0.895 481 L HN 0.078 nan 8.230 nan 0.000 0.433 482 P HA -0.172 nan 4.420 nan 0.000 0.217 482 P C 1.581 178.899 177.300 0.030 0.000 1.150 482 P CA 1.123 64.167 63.100 -0.094 0.000 0.832 482 P CB 0.111 31.780 31.700 -0.051 0.000 0.787 483 E N -0.436 119.736 120.200 -0.046 0.000 2.023 483 E HA -0.221 4.128 4.350 -0.001 0.000 0.196 483 E C 1.846 178.460 176.600 0.022 0.000 1.003 483 E CA 1.258 57.652 56.400 -0.010 0.000 0.809 483 E CB -0.527 29.147 29.700 -0.044 0.000 0.755 483 E HN 0.018 nan 8.360 nan 0.000 0.449 484 I N 0.544 121.111 120.570 -0.005 0.000 2.493 484 I HA -0.203 3.966 4.170 -0.001 0.000 0.254 484 I C 2.052 178.213 176.117 0.073 0.000 1.160 484 I CA 1.085 62.388 61.300 0.005 0.000 1.445 484 I CB -0.515 37.455 38.000 -0.051 0.000 1.086 484 I HN 0.277 nan 8.210 nan 0.000 0.433 485 Y N 1.127 121.434 120.300 0.012 0.000 2.224 485 Y HA -0.230 4.319 4.550 -0.001 0.000 0.289 485 Y C 2.215 178.154 175.900 0.066 0.000 1.146 485 Y CA 1.693 59.846 58.100 0.089 0.000 1.182 485 Y CB 0.055 38.658 38.460 0.238 0.000 0.983 485 Y HN 0.163 nan 8.280 nan 0.000 0.524 486 E N 0.239 120.580 120.200 0.235 0.000 2.152 486 E HA -0.093 4.257 4.350 -0.001 0.000 0.192 486 E C 2.237 178.851 176.600 0.023 0.000 0.983 486 E CA 1.010 57.481 56.400 0.119 0.000 0.818 486 E CB -0.478 29.298 29.700 0.128 0.000 0.758 486 E HN 0.596 nan 8.360 nan 0.000 0.467 487 A N 0.595 123.427 122.820 0.020 0.000 1.935 487 A HA -0.054 4.265 4.320 -0.001 0.000 0.214 487 A C 1.018 178.598 177.584 -0.008 0.000 1.178 487 A CA 0.584 52.624 52.037 0.005 0.000 0.640 487 A CB 0.210 19.215 19.000 0.008 0.000 0.825 487 A HN 0.033 nan 8.150 nan 0.000 0.447 488 D N -0.360 120.029 120.400 -0.020 0.000 2.440 488 D HA 0.190 4.829 4.640 -0.001 0.000 0.239 488 D C 0.124 176.401 176.300 -0.039 0.000 1.084 488 D CA -0.295 53.703 54.000 -0.003 0.000 0.843 488 D CB 0.988 41.810 40.800 0.036 0.000 1.097 488 D HN 0.180 nan 8.370 nan 0.000 0.531 489 E N 2.797 122.978 120.200 -0.032 0.000 2.085 489 E HA -0.209 4.141 4.350 -0.001 0.000 0.194 489 E C 1.237 177.824 176.600 -0.021 0.000 0.994 489 E CA 1.194 57.562 56.400 -0.054 0.000 0.801 489 E CB 0.272 29.954 29.700 -0.029 0.000 0.743 489 E HN 0.667 nan 8.360 nan 0.000 0.453 490 E N 0.500 120.728 120.200 0.047 0.000 2.058 490 E HA -0.141 4.208 4.350 -0.001 0.000 0.194 490 E C 2.236 178.906 176.600 0.117 0.000 0.997 490 E CA 1.160 57.625 56.400 0.108 0.000 0.801 490 E CB 0.011 29.796 29.700 0.142 0.000 0.746 490 E HN 0.003 nan 8.360 nan 0.000 0.450 491 V N 1.555 121.539 119.914 0.118 0.000 2.490 491 V HA -0.270 3.850 4.120 -0.001 0.000 0.250 491 V C 2.227 178.326 176.094 0.008 0.000 1.061 491 V CA 2.101 64.437 62.300 0.059 0.000 1.064 491 V CB -0.385 31.439 31.823 0.001 0.000 0.670 491 V HN 0.290 nan 8.190 nan 0.000 0.461 492 K N 1.470 121.784 120.400 -0.142 0.000 2.116 492 K HA 0.120 4.440 4.320 -0.001 0.000 0.203 492 K C 1.996 178.524 176.600 -0.120 0.000 1.052 492 K CA 1.562 57.627 56.287 -0.370 0.000 0.952 492 K CB -0.589 31.343 32.500 -0.947 0.000 0.729 492 K HN 0.233 nan 8.250 nan 0.000 0.446 493 A N 2.392 125.178 122.820 -0.057 0.000 1.851 493 A HA -0.143 4.177 4.320 -0.001 0.000 0.216 493 A C 2.063 179.675 177.584 0.047 0.000 1.195 493 A CA 1.632 53.672 52.037 0.005 0.000 0.622 493 A CB -1.008 18.009 19.000 0.028 0.000 0.831 493 A HN 0.366 nan 8.150 nan 0.000 0.444 494 L N -0.126 121.145 121.223 0.080 0.000 2.059 494 L HA -0.287 4.053 4.340 -0.001 0.000 0.242 494 L C 2.444 179.362 176.870 0.080 0.000 1.107 494 L CA 2.800 57.695 54.840 0.092 0.000 0.836 494 L CB -1.244 40.873 42.059 0.096 0.000 0.933 494 L HN 0.529 nan 8.230 nan 0.000 0.446 495 I N -0.566 120.073 120.570 0.116 0.000 2.315 495 I HA -0.204 3.966 4.170 -0.001 0.000 0.248 495 I C 1.001 177.164 176.117 0.078 0.000 1.117 495 I CA 0.247 61.622 61.300 0.126 0.000 1.404 495 I CB -0.321 37.833 38.000 0.256 0.000 1.071 495 I HN 0.371 nan 8.210 nan 0.000 0.419 499 R N 0.566 121.043 120.500 -0.039 0.000 2.148 499 R HA 0.046 4.385 4.340 -0.001 0.000 0.227 499 R C 1.762 178.030 176.300 -0.054 0.000 1.103 499 R CA 1.275 57.336 56.100 -0.065 0.000 0.983 499 R CB -0.038 30.202 30.300 -0.100 0.000 0.874 499 R HN 0.251 nan 8.270 nan 0.000 0.451 500 K N 0.057 120.430 120.400 -0.044 0.000 2.296 500 K HA 0.019 4.339 4.320 -0.001 0.000 0.200 500 K C 1.482 178.059 176.600 -0.039 0.000 1.048 500 K CA 0.618 56.879 56.287 -0.043 0.000 0.966 500 K CB 0.332 32.804 32.500 -0.047 0.000 0.754 500 K HN 0.137 nan 8.250 nan 0.000 0.466 501 L N 0.555 121.758 121.223 -0.034 0.000 2.513 501 L HA 0.120 4.460 4.340 -0.001 0.000 0.222 501 L C 0.835 177.691 176.870 -0.025 0.000 1.096 501 L CA 0.378 55.201 54.840 -0.029 0.000 0.857 501 L CB -0.475 41.570 42.059 -0.024 0.000 1.026 501 L HN 0.202 nan 8.230 nan 0.000 0.469 502 E N 0.469 120.654 120.200 -0.026 0.000 2.694 502 E HA 0.102 4.452 4.350 -0.001 0.000 0.250 502 E C 1.165 177.749 176.600 -0.026 0.000 0.963 502 E CA 0.903 57.290 56.400 -0.022 0.000 0.949 502 E CB 0.224 29.908 29.700 -0.028 0.000 0.911 502 E HN 0.449 nan 8.360 nan 0.000 0.500 503 G N 2.770 111.559 108.800 -0.018 0.000 2.195 503 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.246 503 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.246 503 G C 0.352 175.225 174.900 -0.044 0.000 0.984 503 G CA 0.057 45.142 45.100 -0.025 0.000 0.633 503 G HN 0.568 nan 8.290 nan 0.000 0.525 504 V N 1.779 121.667 119.914 -0.044 0.000 2.999 504 V HA 0.352 4.471 4.120 -0.001 0.000 0.307 504 V C 1.242 177.307 176.094 -0.047 0.000 1.084 504 V CA 1.030 63.292 62.300 -0.063 0.000 1.155 504 V CB 1.178 32.976 31.823 -0.042 0.000 0.975 504 V HN 0.362 nan 8.190 nan 0.000 0.490 505 T N 5.288 119.789 114.554 -0.088 0.000 2.780 505 T HA 0.292 4.641 4.350 -0.001 0.000 0.294 505 T C 0.990 175.718 174.700 0.046 0.000 0.949 505 T CA -0.349 61.728 62.100 -0.039 0.000 1.074 505 T CB 0.666 69.430 68.868 -0.173 0.000 0.910 505 T HN 0.810 nan 8.240 nan 0.000 0.501 506 R N 2.239 122.803 120.500 0.107 0.000 2.195 506 R HA 0.278 4.618 4.340 -0.001 0.000 0.197 506 R C 0.521 176.942 176.300 0.202 0.000 0.990 506 R CA -0.135 56.051 56.100 0.144 0.000 1.048 506 R CB 0.092 30.466 30.300 0.124 0.000 0.997 506 R HN 0.597 nan 8.270 nan 0.000 0.502 507 N N -0.074 118.755 118.700 0.215 0.000 3.261 507 N HA 0.316 5.055 4.740 -0.001 0.000 0.248 507 N C -1.777 173.867 175.510 0.224 0.000 1.498 507 N CA -0.550 52.638 53.050 0.231 0.000 0.884 507 N CB 0.642 39.243 38.487 0.190 0.000 1.428 507 N HN 0.106 nan 8.380 nan 0.000 0.517 508 A N -0.392 122.478 122.820 0.082 0.000 2.286 508 A HA 0.731 5.050 4.320 -0.001 0.000 0.286 508 A C 0.988 178.522 177.584 -0.083 0.000 1.097 508 A CA -0.147 51.796 52.037 -0.156 0.000 0.821 508 A CB -0.568 18.094 19.000 -0.564 0.000 1.076 508 A HN 1.003 nan 8.150 nan 0.000 0.490 509 G N -0.172 108.547 108.800 -0.136 0.000 2.464 509 G HA2 0.301 4.260 3.960 -0.001 0.000 0.231 509 G HA3 0.301 4.260 3.960 -0.001 0.000 0.231 509 G C 0.542 175.382 174.900 -0.099 0.000 1.267 509 G CA 0.998 46.044 45.100 -0.090 0.000 0.863 509 G HN 1.417 nan 8.290 nan 0.000 0.559 510 K N 0.052 120.359 120.400 -0.154 0.000 3.807 510 K HA -0.254 4.066 4.320 -0.001 0.000 0.199 510 K C -0.003 176.235 176.600 -0.603 0.000 0.845 510 K CA 1.785 57.891 56.287 -0.302 0.000 0.580 510 K CB -1.195 31.251 32.500 -0.089 0.000 0.757 510 K HN 0.777 nan 8.250 nan 0.000 0.744 511 H N -0.913 118.165 119.070 0.014 0.000 2.985 511 H HA 0.570 5.125 4.556 -0.001 0.000 0.360 511 H C -0.625 174.755 175.328 0.088 0.000 1.221 511 H CA -0.274 55.800 56.048 0.044 0.000 1.121 511 H CB 1.836 31.629 29.762 0.052 0.000 1.854 511 H HN 0.643 nan 8.280 nan 0.000 0.551 512 A N 0.136 123.149 122.820 0.321 0.000 2.346 512 A HA 0.416 4.736 4.320 -0.001 0.000 0.255 512 A C 1.292 179.044 177.584 0.280 0.000 1.113 512 A CA 0.468 52.665 52.037 0.266 0.000 0.798 512 A CB -0.302 18.901 19.000 0.338 0.000 1.073 512 A HN 0.856 nan 8.150 nan 0.000 0.502 513 G N -1.721 107.044 108.800 -0.058 0.000 3.044 513 G HA2 0.522 4.482 3.960 -0.001 0.000 0.223 513 G HA3 0.522 4.482 3.960 -0.001 0.000 0.223 513 G C 0.526 174.958 174.900 -0.780 0.000 1.123 513 G CA 0.914 45.887 45.100 -0.212 0.000 0.765 513 G HN 1.864 nan 8.290 nan 0.000 0.546 514 G N -1.125 106.935 108.800 -1.233 0.000 2.343 514 G HA2 0.473 4.432 3.960 -0.001 0.000 0.289 514 G HA3 0.473 4.432 3.960 -0.001 0.000 0.289 514 G C -1.427 173.139 174.900 -0.556 0.000 1.295 514 G CA 0.055 44.309 45.100 -1.411 0.000 0.869 514 G HN 1.094 nan 8.290 nan 0.000 0.522 515 V N -2.194 117.612 119.914 -0.180 0.000 2.581 515 V HA 0.901 5.021 4.120 -0.001 0.000 0.303 515 V C -0.248 175.796 176.094 -0.084 0.000 1.041 515 V CA -0.940 61.371 62.300 0.019 0.000 0.907 515 V CB 1.303 33.268 31.823 0.237 0.000 0.994 515 V HN 1.489 nan 8.190 nan 0.000 0.442 516 V N 5.650 125.512 119.914 -0.086 0.000 2.667 516 V HA 0.655 4.775 4.120 -0.001 0.000 0.308 516 V C -0.398 175.602 176.094 -0.157 0.000 1.048 516 V CA -0.728 61.482 62.300 -0.149 0.000 0.928 516 V CB 1.831 33.599 31.823 -0.092 0.000 1.004 516 V HN 0.889 nan 8.190 nan 0.000 0.444 517 I N 5.349 125.776 120.570 -0.239 0.000 2.436 517 I HA 0.719 4.889 4.170 -0.001 0.000 0.289 517 I C 0.082 176.043 176.117 -0.261 0.000 1.010 517 I CA -0.585 60.577 61.300 -0.230 0.000 1.098 517 I CB 1.732 39.538 38.000 -0.324 0.000 1.266 517 I HN 0.693 nan 8.210 nan 0.000 0.434 518 A N 7.346 130.028 122.820 -0.230 0.000 2.311 518 A HA 0.790 5.109 4.320 -0.001 0.000 0.334 518 A C -2.147 175.303 177.584 -0.224 0.000 1.139 518 A CA -1.627 50.200 52.037 -0.350 0.000 0.830 518 A CB 0.882 19.676 19.000 -0.345 0.000 1.234 518 A HN 0.523 nan 8.150 nan 0.000 0.483 519 P HA 0.028 nan 4.420 nan 0.000 0.226 519 P C 0.527 177.869 177.300 0.069 0.000 1.153 519 P CA 1.785 64.873 63.100 -0.020 0.000 0.777 519 P CB 0.079 31.825 31.700 0.076 0.000 0.794 520 T N -5.655 108.971 114.554 0.120 0.000 2.645 520 T HA 0.325 4.674 4.350 -0.001 0.000 0.300 520 T C -0.654 174.122 174.700 0.126 0.000 1.210 520 T CA -1.193 60.984 62.100 0.129 0.000 1.034 520 T CB 0.720 69.676 68.868 0.147 0.000 1.537 520 T HN -0.302 nan 8.240 nan 0.000 0.492 521 K N 0.225 120.675 120.400 0.083 0.000 2.558 521 K HA -0.110 4.210 4.320 -0.001 0.000 0.269 521 K C 0.843 177.517 176.600 0.123 0.000 0.999 521 K CA 0.196 56.521 56.287 0.063 0.000 1.103 521 K CB 0.078 32.591 32.500 0.021 0.000 0.800 521 K HN 0.505 nan 8.250 nan 0.000 0.475 522 I N 3.662 124.279 120.570 0.078 0.000 2.315 522 I HA -0.245 3.925 4.170 -0.001 0.000 0.248 522 I C 2.334 178.505 176.117 0.090 0.000 1.117 522 I CA 1.943 63.300 61.300 0.095 0.000 1.404 522 I CB -0.259 37.759 38.000 0.029 0.000 1.071 522 I HN 0.874 nan 8.210 nan 0.000 0.419 523 T N -2.678 111.881 114.554 0.008 0.000 2.977 523 T HA -0.138 4.212 4.350 -0.001 0.000 0.271 523 T C 1.484 176.103 174.700 -0.136 0.000 1.105 523 T CA 1.161 63.222 62.100 -0.064 0.000 1.116 523 T CB -0.669 68.153 68.868 -0.077 0.000 0.878 523 T HN 0.275 nan 8.240 nan 0.000 0.509 524 D N 0.240 120.563 120.400 -0.127 0.000 2.384 524 D HA 0.053 4.692 4.640 -0.001 0.000 0.222 524 D C 0.795 176.677 176.300 -0.698 0.000 0.976 524 D CA 0.736 54.503 54.000 -0.389 0.000 0.915 524 D CB -0.154 40.401 40.800 -0.408 0.000 0.896 524 D HN 0.551 nan 8.370 nan 0.000 0.523 525 F N -0.462 119.396 119.950 -0.154 0.000 2.729 525 F HA 0.401 4.928 4.527 -0.001 0.000 0.304 525 F C 0.721 176.480 175.800 -0.068 0.000 1.008 525 F CA -0.181 57.758 58.000 -0.102 0.000 1.188 525 F CB 0.678 39.639 39.000 -0.064 0.000 0.980 525 F HN -0.198 nan 8.300 nan 0.000 0.627 526 A N 0.126 122.926 122.820 -0.033 0.000 2.594 526 A HA 0.726 5.045 4.320 -0.001 0.000 0.295 526 A C -2.873 174.533 177.584 -0.297 0.000 1.071 526 A CA -1.555 50.274 52.037 -0.347 0.000 0.685 526 A CB 0.965 19.723 19.000 -0.403 0.000 1.285 526 A HN -0.188 nan 8.150 nan 0.000 0.405 527 P HA 0.569 nan 4.420 nan 0.000 0.276 527 P C -0.808 176.409 177.300 -0.138 0.000 1.261 527 P CA -0.350 62.642 63.100 -0.179 0.000 0.800 527 P CB 0.531 32.165 31.700 -0.110 0.000 1.066 528 L N 0.252 121.453 121.223 -0.037 0.000 2.331 528 L HA 0.504 4.844 4.340 -0.001 0.000 0.275 528 L C -0.261 176.596 176.870 -0.023 0.000 1.022 528 L CA -0.961 53.871 54.840 -0.012 0.000 0.812 528 L CB 1.121 43.194 42.059 0.023 0.000 1.257 528 L HN 0.419 nan 8.230 nan 0.000 0.435 529 Y N 1.407 121.561 120.300 -0.245 0.000 2.429 529 Y HA 0.610 5.159 4.550 -0.001 0.000 0.342 529 Y C -0.676 175.078 175.900 -0.243 0.000 1.004 529 Y CA -0.548 57.215 58.100 -0.561 0.000 1.075 529 Y CB 1.670 39.826 38.460 -0.506 0.000 1.214 529 Y HN 0.623 nan 8.280 nan 0.000 0.455 530 C N 3.954 122.908 119.300 -0.576 0.000 3.154 530 C HA 0.426 4.886 4.460 -0.001 0.000 0.312 530 C C -0.589 174.329 174.990 -0.121 0.000 1.349 530 C CA -0.811 58.150 59.018 -0.094 0.000 1.518 530 C CB 1.571 29.375 27.740 0.107 0.000 1.934 530 C HN 0.936 nan 8.230 nan 0.000 0.462 531 D N 0.477 120.925 120.400 0.080 0.000 2.447 531 D HA 0.194 4.834 4.640 -0.001 0.000 0.265 531 D C 0.692 176.838 176.300 -0.257 0.000 1.250 531 D CA -0.324 53.722 54.000 0.076 0.000 1.046 531 D CB 0.217 41.102 40.800 0.143 0.000 1.095 531 D HN 0.554 nan 8.370 nan 0.000 0.555 532 E N -0.663 119.253 120.200 -0.473 0.000 2.187 532 E HA -0.200 4.150 4.350 -0.001 0.000 0.199 532 E C 1.257 177.566 176.600 -0.485 0.000 1.004 532 E CA 1.522 57.406 56.400 -0.859 0.000 0.813 532 E CB -0.141 29.334 29.700 -0.375 0.000 0.736 532 E HN 0.563 nan 8.360 nan 0.000 0.468 533 E N -1.168 118.902 120.200 -0.217 0.000 2.479 533 E HA 0.144 4.494 4.350 -0.001 0.000 0.193 533 E C 0.709 177.272 176.600 -0.062 0.000 1.049 533 E CA 0.259 56.595 56.400 -0.106 0.000 0.870 533 E CB 0.519 30.191 29.700 -0.046 0.000 0.944 533 E HN 0.324 nan 8.360 nan 0.000 0.492 534 G N 1.810 110.578 108.800 -0.053 0.000 2.153 534 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.252 534 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.252 534 G C 0.215 175.125 174.900 0.016 0.000 0.994 534 G CA 0.700 45.818 45.100 0.031 0.000 0.698 534 G HN 0.179 nan 8.290 nan 0.000 0.521 535 K N -1.509 118.888 120.400 -0.006 0.000 2.393 535 K HA 0.582 4.901 4.320 -0.001 0.000 0.241 535 K C 0.698 177.304 176.600 0.009 0.000 1.055 535 K CA -0.984 55.261 56.287 -0.069 0.000 0.951 535 K CB 0.600 32.995 32.500 -0.175 0.000 1.285 535 K HN 0.336 nan 8.250 nan 0.000 0.500 536 H N -0.424 118.689 119.070 0.070 0.000 2.592 536 H HA -0.117 4.438 4.556 -0.001 0.000 0.323 536 H C -2.327 173.064 175.328 0.105 0.000 1.117 536 H CA -0.311 55.793 56.048 0.094 0.000 1.120 536 H CB -1.662 28.162 29.762 0.104 0.000 1.561 536 H HN 0.300 nan 8.280 nan 0.000 0.409 537 P HA 0.162 nan 4.420 nan 0.000 0.267 537 P C -0.020 177.350 177.300 0.115 0.000 1.205 537 P CA 0.154 63.318 63.100 0.107 0.000 0.765 537 P CB 1.389 33.126 31.700 0.061 0.000 0.828 538 V N -0.287 119.687 119.914 0.099 0.000 3.049 538 V HA 0.600 4.720 4.120 -0.001 0.000 0.309 538 V C 0.145 176.236 176.094 -0.006 0.000 1.148 538 V CA -1.036 61.292 62.300 0.048 0.000 0.990 538 V CB 1.290 33.127 31.823 0.023 0.000 1.039 538 V HN 0.638 nan 8.190 nan 0.000 0.430 539 T N -0.098 114.431 114.554 -0.043 0.000 2.926 539 T HA 0.226 4.575 4.350 -0.001 0.000 0.307 539 T C 0.691 175.314 174.700 -0.129 0.000 1.059 539 T CA 0.088 62.128 62.100 -0.099 0.000 1.122 539 T CB 0.877 69.700 68.868 -0.076 0.000 0.972 539 T HN 0.840 nan 8.240 nan 0.000 0.545 540 Q N 0.699 120.369 119.800 -0.217 0.000 2.472 540 Q HA 0.147 4.486 4.340 -0.001 0.000 0.208 540 Q C -0.264 175.768 176.000 0.054 0.000 0.958 540 Q CA 0.516 56.242 55.803 -0.128 0.000 0.932 540 Q CB -0.003 28.660 28.738 -0.125 0.000 1.007 540 Q HN 0.732 nan 8.270 nan 0.000 0.508 541 F N 2.174 122.140 119.950 0.026 0.000 2.404 541 F HA 0.106 4.632 4.527 -0.001 0.000 0.345 541 F C 0.758 176.571 175.800 0.021 0.000 1.110 541 F CA -1.660 56.367 58.000 0.046 0.000 1.130 541 F CB 0.699 39.734 39.000 0.058 0.000 1.129 541 F HN 0.073 nan 8.300 nan 0.000 0.500 542 D N 2.290 122.846 120.400 0.260 0.000 2.414 542 D HA 0.105 4.745 4.640 -0.001 0.000 0.259 542 D C 0.948 177.308 176.300 0.100 0.000 1.269 542 D CA -0.464 53.606 54.000 0.116 0.000 1.028 542 D CB 0.596 41.493 40.800 0.162 0.000 1.093 542 D HN 0.406 nan 8.370 nan 0.000 0.545 543 K N -0.565 119.859 120.400 0.040 0.000 1.998 543 K HA -0.281 4.038 4.320 -0.001 0.000 0.228 543 K C 2.227 178.853 176.600 0.043 0.000 1.053 543 K CA 3.103 59.401 56.287 0.018 0.000 0.988 543 K CB -0.518 31.985 32.500 0.004 0.000 0.735 543 K HN 0.585 nan 8.250 nan 0.000 0.448 544 S N 1.156 116.888 115.700 0.052 0.000 2.351 544 S HA -0.211 4.258 4.470 -0.001 0.000 0.220 544 S C 1.625 176.261 174.600 0.061 0.000 1.035 544 S CA 1.749 59.972 58.200 0.039 0.000 1.031 544 S CB -0.789 62.425 63.200 0.024 0.000 0.928 544 S HN 0.235 nan 8.310 nan 0.000 0.433 545 D N 1.109 121.557 120.400 0.079 0.000 2.172 545 D HA -0.084 4.556 4.640 -0.001 0.000 0.196 545 D C 2.028 178.373 176.300 0.076 0.000 0.999 545 D CA 1.092 55.122 54.000 0.050 0.000 0.856 545 D CB -0.793 40.013 40.800 0.009 0.000 0.934 545 D HN 0.335 nan 8.370 nan 0.000 0.453 546 V N 0.348 120.343 119.914 0.134 0.000 2.453 546 V HA -0.198 3.922 4.120 -0.001 0.000 0.247 546 V C 2.309 178.467 176.094 0.106 0.000 1.048 546 V CA 1.613 64.016 62.300 0.172 0.000 1.049 546 V CB 0.005 31.906 31.823 0.129 0.000 0.672 546 V HN 0.016 nan 8.190 nan 0.000 0.457 547 E N 0.028 120.269 120.200 0.068 0.000 2.026 547 E HA -0.321 4.028 4.350 -0.001 0.000 0.206 547 E C 2.089 178.717 176.600 0.047 0.000 1.028 547 E CA 2.411 58.831 56.400 0.034 0.000 0.845 547 E CB -0.744 28.967 29.700 0.019 0.000 0.772 547 E HN 0.613 nan 8.360 nan 0.000 0.462 548 Y N 0.167 120.412 120.300 -0.092 0.000 2.384 548 Y HA -0.050 4.499 4.550 -0.001 0.000 0.289 548 Y C 1.980 177.828 175.900 -0.087 0.000 1.152 548 Y CA 1.117 59.148 58.100 -0.117 0.000 1.258 548 Y CB -0.702 37.697 38.460 -0.103 0.000 0.979 548 Y HN 0.201 nan 8.280 nan 0.000 0.549 549 A N -0.817 121.997 122.820 -0.011 0.000 2.235 549 A HA 0.295 4.614 4.320 -0.001 0.000 0.208 549 A C 1.876 179.542 177.584 0.136 0.000 1.172 549 A CA 0.930 52.984 52.037 0.028 0.000 0.786 549 A CB -1.176 17.908 19.000 0.141 0.000 0.804 549 A HN 0.783 nan 8.150 nan 0.000 0.479 550 G N -1.186 107.636 108.800 0.036 0.000 2.142 550 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.225 550 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.225 550 G C -0.123 174.898 174.900 0.201 0.000 1.015 550 G CA 0.203 45.328 45.100 0.043 0.000 0.716 550 G HN 0.418 nan 8.290 nan 0.000 0.508 551 L N 0.080 121.378 121.223 0.125 0.000 2.334 551 L HA 0.582 4.921 4.340 -0.001 0.000 0.275 551 L C 1.004 177.925 176.870 0.085 0.000 1.036 551 L CA -1.275 53.594 54.840 0.048 0.000 0.807 551 L CB 1.723 43.745 42.059 -0.062 0.000 1.231 551 L HN -0.074 nan 8.230 nan 0.000 0.438 552 V N 3.295 123.186 119.914 -0.037 0.000 2.572 552 V HA 0.154 4.274 4.120 -0.001 0.000 0.291 552 V C 0.314 176.210 176.094 -0.330 0.000 1.039 552 V CA -0.090 62.124 62.300 -0.144 0.000 1.055 552 V CB 0.876 32.519 31.823 -0.299 0.000 0.969 552 V HN 0.765 nan 8.190 nan 0.000 0.482 553 K N 5.373 125.578 120.400 -0.326 0.000 2.443 553 K HA 0.612 4.931 4.320 -0.001 0.000 0.251 553 K C -1.795 174.597 176.600 -0.347 0.000 0.972 553 K CA -0.690 55.375 56.287 -0.370 0.000 0.833 553 K CB 2.344 34.763 32.500 -0.134 0.000 1.317 553 K HN 0.423 nan 8.250 nan 0.000 0.441 554 F N 1.556 121.488 119.950 -0.030 0.000 2.539 554 F HA 0.226 4.753 4.527 -0.001 0.000 0.328 554 F C -0.440 175.284 175.800 -0.126 0.000 1.148 554 F CA -1.192 56.805 58.000 -0.004 0.000 0.940 554 F CB 1.968 41.021 39.000 0.089 0.000 1.194 554 F HN 0.471 nan 8.300 nan 0.000 0.438 555 D N 2.380 122.799 120.400 0.031 0.000 2.357 555 D HA 0.179 4.818 4.640 -0.001 0.000 0.242 555 D C -0.331 175.773 176.300 -0.328 0.000 1.153 555 D CA 0.282 54.174 54.000 -0.180 0.000 0.918 555 D CB 0.850 41.625 40.800 -0.041 0.000 1.181 555 D HN 0.231 nan 8.370 nan 0.000 0.435 556 F N 0.505 120.304 119.950 -0.253 0.000 2.396 556 F HA 0.381 4.908 4.527 -0.001 0.000 0.343 556 F C 0.583 176.288 175.800 -0.157 0.000 1.104 556 F CA -0.646 57.160 58.000 -0.323 0.000 1.161 556 F CB 0.856 39.741 39.000 -0.192 0.000 1.146 556 F HN -0.126 nan 8.300 nan 0.000 0.522 557 L N 1.639 122.904 121.223 0.070 0.000 2.455 557 L HA 0.434 4.774 4.340 -0.001 0.000 0.264 557 L C 0.036 176.938 176.870 0.053 0.000 0.968 557 L CA -0.725 54.160 54.840 0.075 0.000 0.827 557 L CB 2.301 44.411 42.059 0.086 0.000 1.317 557 L HN 0.747 nan 8.230 nan 0.000 0.407 558 G N 4.280 113.111 108.800 0.053 0.000 3.064 558 G HA2 0.323 4.283 3.960 -0.001 0.000 0.286 558 G HA3 0.323 4.283 3.960 -0.001 0.000 0.286 558 G C -0.390 174.539 174.900 0.048 0.000 0.834 558 G CA -0.102 45.020 45.100 0.036 0.000 1.856 558 G HN 0.219 nan 8.290 nan 0.000 0.559 559 L N 3.107 124.352 121.223 0.037 0.000 2.435 559 L HA 0.319 4.658 4.340 -0.001 0.000 0.253 559 L C 1.194 178.053 176.870 -0.018 0.000 1.087 559 L CA -0.578 54.284 54.840 0.037 0.000 0.950 559 L CB 0.880 42.967 42.059 0.047 0.000 1.304 559 L HN 0.568 nan 8.230 nan 0.000 0.453 560 R N -0.355 120.140 120.500 -0.009 0.000 2.293 560 R HA -0.061 4.278 4.340 -0.001 0.000 0.219 560 R C 1.562 177.813 176.300 -0.081 0.000 1.091 560 R CA 0.997 57.064 56.100 -0.055 0.000 1.004 560 R CB -0.918 29.378 30.300 -0.007 0.000 0.865 560 R HN 0.339 nan 8.270 nan 0.000 0.469 561 T N 1.292 115.811 114.554 -0.059 0.000 2.708 561 T HA -0.021 4.329 4.350 -0.001 0.000 0.266 561 T C 1.519 176.140 174.700 -0.132 0.000 1.037 561 T CA 0.930 62.978 62.100 -0.086 0.000 1.146 561 T CB -0.082 68.651 68.868 -0.225 0.000 0.865 561 T HN 0.055 nan 8.240 nan 0.000 0.435 562 L N 1.242 122.361 121.223 -0.173 0.000 2.291 562 L HA -0.004 4.336 4.340 -0.001 0.000 0.214 562 L C 2.538 179.280 176.870 -0.213 0.000 1.120 562 L CA 1.490 56.228 54.840 -0.169 0.000 0.799 562 L CB -1.558 40.407 42.059 -0.157 0.000 0.925 562 L HN 0.374 nan 8.230 nan 0.000 0.446 563 T N -0.287 114.094 114.554 -0.289 0.000 2.857 563 T HA -0.057 4.292 4.350 -0.001 0.000 0.266 563 T C 2.038 176.367 174.700 -0.619 0.000 1.048 563 T CA 0.776 62.544 62.100 -0.552 0.000 1.139 563 T CB 0.106 68.579 68.868 -0.658 0.000 0.874 563 T HN 0.156 nan 8.240 nan 0.000 0.455 564 I N 0.842 121.247 120.570 -0.275 0.000 2.113 564 I HA -0.132 4.037 4.170 -0.001 0.000 0.238 564 I C 2.302 178.451 176.117 0.054 0.000 1.070 564 I CA 1.366 62.655 61.300 -0.017 0.000 1.332 564 I CB -0.388 37.615 38.000 0.006 0.000 1.044 564 I HN 0.165 nan 8.210 nan 0.000 0.402 565 I N 0.705 121.301 120.570 0.043 0.000 2.185 565 I HA -0.421 3.748 4.170 -0.001 0.000 0.246 565 I C 2.440 178.571 176.117 0.024 0.000 1.088 565 I CA 1.753 63.100 61.300 0.077 0.000 1.347 565 I CB -0.715 37.299 38.000 0.022 0.000 1.041 565 I HN 0.426 nan 8.210 nan 0.000 0.415 566 N N 0.261 118.910 118.700 -0.084 0.000 2.043 566 N HA -0.238 4.502 4.740 -0.001 0.000 0.193 566 N C 1.938 177.474 175.510 0.042 0.000 1.037 566 N CA 1.715 54.703 53.050 -0.103 0.000 0.851 566 N CB -0.075 38.252 38.487 -0.267 0.000 1.027 566 N HN 0.328 nan 8.380 nan 0.000 0.422 567 W N 1.114 122.423 121.300 0.014 0.000 2.354 567 W HA 0.036 4.695 4.660 -0.001 0.000 0.315 567 W C 2.685 179.228 176.519 0.041 0.000 1.206 567 W CA 0.992 58.358 57.345 0.033 0.000 1.290 567 W CB -1.303 28.165 29.460 0.013 0.000 1.152 567 W HN 0.164 nan 8.180 nan 0.000 0.489 568 A N -0.008 122.986 122.820 0.291 0.000 1.986 568 A HA -0.192 4.128 4.320 -0.001 0.000 0.220 568 A C 2.121 179.783 177.584 0.130 0.000 1.171 568 A CA 1.461 53.623 52.037 0.209 0.000 0.640 568 A CB -0.942 18.221 19.000 0.272 0.000 0.811 568 A HN 0.201 nan 8.150 nan 0.000 0.451 569 L N -0.320 120.967 121.223 0.106 0.000 2.109 569 L HA -0.040 4.300 4.340 -0.001 0.000 0.207 569 L C 1.168 178.056 176.870 0.029 0.000 1.086 569 L CA 1.123 55.983 54.840 0.033 0.000 0.760 569 L CB -0.903 41.160 42.059 0.007 0.000 0.910 569 L HN 0.529 nan 8.230 nan 0.000 0.437 573 N N 1.964 120.645 118.700 -0.032 0.000 2.309 573 N HA -0.064 4.676 4.740 -0.001 0.000 0.182 573 N C 1.499 177.014 175.510 0.007 0.000 1.018 573 N CA 1.191 54.233 53.050 -0.013 0.000 0.876 573 N CB -0.026 38.451 38.487 -0.016 0.000 0.972 573 N HN 0.354 nan 8.380 nan 0.000 0.434 574 K N 0.333 120.744 120.400 0.019 0.000 2.228 574 K HA 0.076 4.396 4.320 -0.001 0.000 0.202 574 K C 1.924 178.546 176.600 0.037 0.000 1.051 574 K CA 0.388 56.691 56.287 0.026 0.000 0.960 574 K CB 0.120 32.639 32.500 0.030 0.000 0.743 574 K HN -0.004 nan 8.250 nan 0.000 0.458 575 R N 1.041 121.570 120.500 0.047 0.000 2.237 575 R HA -0.072 4.267 4.340 -0.001 0.000 0.219 575 R C 2.198 178.533 176.300 0.059 0.000 1.080 575 R CA 0.875 57.013 56.100 0.064 0.000 0.995 575 R CB 0.028 30.383 30.300 0.091 0.000 0.875 575 R HN 0.068 nan 8.270 nan 0.000 0.462 576 R N 0.215 120.742 120.500 0.046 0.000 2.081 576 R HA -0.104 4.235 4.340 -0.001 0.000 0.235 576 R C 1.840 178.160 176.300 0.034 0.000 1.131 576 R CA 1.646 57.771 56.100 0.042 0.000 0.960 576 R CB -0.411 29.907 30.300 0.029 0.000 0.856 576 R HN 0.235 nan 8.270 nan 0.000 0.436 577 A N 1.610 124.446 122.820 0.027 0.000 1.940 577 A HA -0.230 4.089 4.320 -0.001 0.000 0.219 577 A C 2.113 179.712 177.584 0.024 0.000 1.176 577 A CA 1.967 54.016 52.037 0.021 0.000 0.631 577 A CB -0.444 18.566 19.000 0.016 0.000 0.814 577 A HN 0.427 nan 8.150 nan 0.000 0.446 578 K N 0.242 120.660 120.400 0.031 0.000 2.031 578 K HA -0.079 4.240 4.320 -0.001 0.000 0.205 578 K C 1.843 178.464 176.600 0.034 0.000 1.049 578 K CA 1.656 57.962 56.287 0.032 0.000 0.939 578 K CB -0.344 32.179 32.500 0.039 0.000 0.717 578 K HN 0.444 nan 8.250 nan 0.000 0.438 579 N N -0.222 118.503 118.700 0.042 0.000 2.191 579 N HA 0.023 4.762 4.740 -0.001 0.000 0.193 579 N C -0.269 175.265 175.510 0.039 0.000 1.053 579 N CA 1.923 54.999 53.050 0.045 0.000 0.943 579 N CB -0.341 38.182 38.487 0.061 0.000 1.119 579 N HN 0.351 nan 8.380 nan 0.000 0.487 580 G N 1.723 110.548 108.800 0.042 0.000 2.846 580 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.254 580 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.254 580 G C -0.658 174.263 174.900 0.035 0.000 1.017 580 G CA 0.597 45.718 45.100 0.035 0.000 1.188 580 G HN 0.767 nan 8.290 nan 0.000 0.518 581 E N 0.069 120.294 120.200 0.042 0.000 5.927 581 E HA -0.146 4.203 4.350 -0.001 0.000 0.230 581 E C -1.577 175.050 176.600 0.044 0.000 1.566 581 E CA 0.600 57.032 56.400 0.053 0.000 1.286 581 E CB 0.146 29.887 29.700 0.069 0.000 0.975 581 E HN 0.561 nan 8.360 nan 0.000 0.314 582 P HA 0.211 nan 4.420 nan 0.000 0.274 582 P C -2.477 174.839 177.300 0.027 0.000 1.260 582 P CA -1.043 62.074 63.100 0.028 0.000 0.793 582 P CB -0.055 31.661 31.700 0.027 0.000 1.048 583 P HA 0.275 nan 4.420 nan 0.000 0.276 583 P C -0.237 177.059 177.300 -0.006 0.000 1.244 583 P CA -0.341 62.758 63.100 -0.002 0.000 0.801 583 P CB 0.463 32.153 31.700 -0.016 0.000 1.006 584 L N 1.506 122.718 121.223 -0.019 0.000 2.350 584 L HA 0.270 4.609 4.340 -0.001 0.000 0.275 584 L C 0.292 177.122 176.870 -0.067 0.000 1.099 584 L CA -0.076 54.748 54.840 -0.028 0.000 0.808 584 L CB 0.609 42.647 42.059 -0.034 0.000 1.149 584 L HN 0.355 nan 8.230 nan 0.000 0.442 585 D N 4.146 124.490 120.400 -0.093 0.000 2.461 585 D HA 0.058 4.698 4.640 -0.001 0.000 0.240 585 D C 0.834 177.018 176.300 -0.193 0.000 1.094 585 D CA -0.507 53.411 54.000 -0.136 0.000 0.868 585 D CB 1.466 42.179 40.800 -0.144 0.000 1.062 585 D HN 0.433 nan 8.370 nan 0.000 0.530 586 I N 4.054 124.510 120.570 -0.190 0.000 2.730 586 I HA -0.226 3.944 4.170 -0.001 0.000 0.266 586 I C 1.690 177.650 176.117 -0.262 0.000 1.228 586 I CA 1.328 62.482 61.300 -0.243 0.000 1.445 586 I CB -0.132 37.772 38.000 -0.161 0.000 1.102 586 I HN 0.459 nan 8.210 nan 0.000 0.464 587 A N -0.188 122.491 122.820 -0.236 0.000 2.030 587 A HA 0.340 4.659 4.320 -0.001 0.000 0.215 587 A C 2.307 179.708 177.584 -0.305 0.000 1.164 587 A CA 0.730 52.618 52.037 -0.249 0.000 0.697 587 A CB -0.693 18.155 19.000 -0.252 0.000 0.827 587 A HN 0.424 nan 8.150 nan 0.000 0.457 588 A N -0.109 122.542 122.820 -0.282 0.000 2.235 588 A HA 0.303 4.622 4.320 -0.001 0.000 0.208 588 A C 0.602 178.153 177.584 -0.054 0.000 1.172 588 A CA -0.170 51.772 52.037 -0.159 0.000 0.786 588 A CB -0.496 18.484 19.000 -0.033 0.000 0.804 588 A HN 0.319 nan 8.150 nan 0.000 0.479 589 I N 2.076 122.483 120.570 -0.271 0.000 2.821 589 I HA 0.042 4.211 4.170 -0.001 0.000 0.294 589 I C -2.088 173.962 176.117 -0.113 0.000 1.210 589 I CA -2.097 58.953 61.300 -0.416 0.000 1.430 589 I CB -0.619 36.977 38.000 -0.673 0.000 1.356 589 I HN 0.140 nan 8.210 nan 0.000 0.563 590 P HA 0.198 nan 4.420 nan 0.000 0.279 590 P C 0.244 177.608 177.300 0.106 0.000 1.239 590 P CA -0.340 62.807 63.100 0.078 0.000 0.789 590 P CB 0.953 32.730 31.700 0.129 0.000 0.933 591 L N 1.486 122.696 121.223 -0.022 0.000 2.629 591 L HA 0.154 4.493 4.340 -0.001 0.000 0.230 591 L C 0.487 177.445 176.870 0.146 0.000 1.151 591 L CA 0.272 54.937 54.840 -0.290 0.000 0.924 591 L CB -0.592 41.086 42.059 -0.634 0.000 1.137 591 L HN 0.347 nan 8.230 nan 0.000 0.457 592 D N -1.409 119.197 120.400 0.344 0.000 2.886 592 D HA 0.058 4.697 4.640 -0.001 0.000 0.355 592 D C -0.441 176.189 176.300 0.550 0.000 1.274 592 D CA -0.374 53.955 54.000 0.549 0.000 0.836 592 D CB 0.208 41.186 40.800 0.297 0.000 1.109 592 D HN 0.001 nan 8.370 nan 0.000 0.488 593 D N 1.440 122.207 120.400 0.611 0.000 2.359 593 D HA 0.032 4.671 4.640 -0.001 0.000 0.230 593 D C 0.911 177.485 176.300 0.456 0.000 1.118 593 D CA -0.374 53.901 54.000 0.459 0.000 0.844 593 D CB 1.501 42.570 40.800 0.449 0.000 1.059 593 D HN 0.003 nan 8.370 nan 0.000 0.493 594 K N 3.357 123.989 120.400 0.387 0.000 2.032 594 K HA -0.159 4.160 4.320 -0.001 0.000 0.209 594 K C 1.648 178.390 176.600 0.236 0.000 1.048 594 K CA 0.793 57.279 56.287 0.331 0.000 0.927 594 K CB 0.211 32.835 32.500 0.206 0.000 0.712 594 K HN 0.317 nan 8.250 nan 0.000 0.441 595 K N 0.557 121.045 120.400 0.147 0.000 2.147 595 K HA -0.050 4.270 4.320 -0.001 0.000 0.205 595 K C 2.006 178.607 176.600 0.001 0.000 1.049 595 K CA 1.135 57.437 56.287 0.026 0.000 0.936 595 K CB -0.014 32.423 32.500 -0.104 0.000 0.722 595 K HN 0.062 nan 8.250 nan 0.000 0.446 596 S N -0.043 115.672 115.700 0.025 0.000 2.395 596 S HA 0.015 4.485 4.470 -0.001 0.000 0.225 596 S C 1.754 176.289 174.600 -0.109 0.000 1.027 596 S CA 0.704 58.834 58.200 -0.117 0.000 0.965 596 S CB -0.197 62.858 63.200 -0.242 0.000 0.812 596 S HN 0.254 nan 8.310 nan 0.000 0.482 597 F N 1.869 121.896 119.950 0.127 0.000 2.206 597 F HA 0.011 4.537 4.527 -0.001 0.000 0.298 597 F C 1.320 177.166 175.800 0.077 0.000 1.090 597 F CA 0.183 58.262 58.000 0.130 0.000 1.323 597 F CB -0.170 38.935 39.000 0.176 0.000 1.028 597 F HN 0.056 nan 8.300 nan 0.000 0.492 601 Q N 0.355 120.224 119.800 0.115 0.000 2.181 601 Q HA -0.131 4.208 4.340 -0.001 0.000 0.205 601 Q C 1.729 177.760 176.000 0.052 0.000 0.980 601 Q CA 2.285 58.144 55.803 0.093 0.000 0.862 601 Q CB -0.043 28.758 28.738 0.105 0.000 0.905 601 Q HN 0.472 nan 8.270 nan 0.000 0.429 602 R N -0.313 120.209 120.500 0.038 0.000 2.189 602 R HA -0.015 4.325 4.340 -0.001 0.000 0.223 602 R C 1.092 177.400 176.300 0.013 0.000 1.092 602 R CA 0.834 56.944 56.100 0.017 0.000 0.989 602 R CB 0.067 30.370 30.300 0.004 0.000 0.876 602 R HN 0.086 nan 8.270 nan 0.000 0.457 603 S N 0.969 116.679 115.700 0.017 0.000 3.696 603 S HA -0.138 4.331 4.470 -0.001 0.000 0.302 603 S C -0.595 174.004 174.600 -0.001 0.000 1.182 603 S CA 0.536 58.741 58.200 0.008 0.000 0.857 603 S CB -1.459 61.745 63.200 0.006 0.000 0.960 603 S HN 0.592 nan 8.310 nan 0.000 0.559 604 E N 1.800 121.999 120.200 -0.002 0.000 2.232 604 E HA 0.194 4.543 4.350 -0.001 0.000 0.296 604 E C 1.043 177.644 176.600 0.002 0.000 1.372 604 E CA 0.310 56.709 56.400 -0.002 0.000 1.527 604 E CB -0.164 29.532 29.700 -0.007 0.000 1.424 604 E HN 0.582 nan 8.360 nan 0.000 0.485 605 T N -2.230 112.324 114.554 -0.001 0.000 3.273 605 T HA 0.030 4.380 4.350 -0.001 0.000 0.254 605 T C 0.550 175.263 174.700 0.021 0.000 1.002 605 T CA -0.600 61.501 62.100 0.002 0.000 0.913 605 T CB -0.234 68.621 68.868 -0.020 0.000 1.056 605 T HN -0.010 nan 8.240 nan 0.000 0.576 606 T N 2.494 117.068 114.554 0.033 0.000 2.888 606 T HA 0.456 4.805 4.350 -0.001 0.000 0.301 606 T C 1.234 175.996 174.700 0.103 0.000 1.001 606 T CA 0.284 62.411 62.100 0.045 0.000 1.147 606 T CB 0.405 69.294 68.868 0.035 0.000 0.931 606 T HN 1.034 nan 8.240 nan 0.000 0.541 607 A N 1.623 124.501 122.820 0.096 0.000 2.887 607 A HA -0.078 4.242 4.320 -0.001 0.000 0.257 607 A C 0.608 178.378 177.584 0.310 0.000 1.372 607 A CA 0.680 52.812 52.037 0.158 0.000 0.879 607 A CB -2.455 16.607 19.000 0.103 0.000 1.082 607 A HN 1.787 nan 8.150 nan 0.000 0.703 608 V N -2.885 117.148 119.914 0.198 0.000 2.409 608 V HA 0.760 4.879 4.120 -0.001 0.000 0.291 608 V C 0.226 176.423 176.094 0.171 0.000 1.020 608 V CA -0.711 61.707 62.300 0.196 0.000 0.848 608 V CB 1.260 33.133 31.823 0.084 0.000 0.990 608 V HN 1.148 nan 8.190 nan 0.000 0.430 609 F N 6.218 126.217 119.950 0.081 0.000 2.604 609 F HA 0.077 4.603 4.527 -0.001 0.000 0.390 609 F C 1.518 177.333 175.800 0.026 0.000 1.053 609 F CA 1.690 59.731 58.000 0.068 0.000 1.256 609 F CB 0.309 39.371 39.000 0.104 0.000 0.996 609 F HN 1.038 nan 8.300 nan 0.000 0.564 610 Q N 1.744 121.127 119.800 -0.695 0.000 2.359 610 Q HA -0.329 4.011 4.340 -0.001 0.000 0.183 610 Q C 0.911 176.695 176.000 -0.359 0.000 2.894 610 Q CA 1.979 57.394 55.803 -0.647 0.000 0.213 610 Q CB -1.324 26.996 28.738 -0.696 0.000 0.241 610 Q HN 0.777 nan 8.270 nan 0.000 0.390 611 L N 1.495 122.555 121.223 -0.272 0.000 2.933 611 L HA 0.142 4.482 4.340 -0.001 0.000 0.258 611 L C 1.279 178.039 176.870 -0.183 0.000 1.253 611 L CA 1.795 56.484 54.840 -0.252 0.000 1.096 611 L CB -0.823 41.122 42.059 -0.191 0.000 1.432 611 L HN 0.389 nan 8.230 nan 0.000 0.418 612 E N -1.146 118.957 120.200 -0.160 0.000 2.481 612 E HA 0.126 4.476 4.350 -0.001 0.000 0.198 612 E C 0.927 177.458 176.600 -0.115 0.000 1.027 612 E CA 0.184 56.524 56.400 -0.099 0.000 0.900 612 E CB 0.111 29.787 29.700 -0.040 0.000 0.993 612 E HN 0.570 nan 8.360 nan 0.000 0.482 613 S N 0.394 115.984 115.700 -0.184 0.000 2.634 613 S HA 0.106 4.575 4.470 -0.001 0.000 0.254 613 S C 0.996 175.519 174.600 -0.130 0.000 1.299 613 S CA -0.368 57.734 58.200 -0.164 0.000 0.974 613 S CB 1.122 64.175 63.200 -0.245 0.000 1.001 613 S HN 0.206 nan 8.310 nan 0.000 0.584 614 R N 1.081 121.541 120.500 -0.067 0.000 2.060 614 R HA 0.280 4.619 4.340 -0.001 0.000 0.225 614 R C 1.747 178.040 176.300 -0.011 0.000 1.155 614 R CA 0.911 56.998 56.100 -0.022 0.000 0.930 614 R CB -1.570 28.740 30.300 0.017 0.000 0.829 614 R HN 0.744 nan 8.270 nan 0.000 0.433 618 D N 0.747 121.147 120.400 -0.001 0.000 2.370 618 D HA 0.182 4.822 4.640 -0.001 0.000 0.230 618 D C 0.626 176.952 176.300 0.043 0.000 1.143 618 D CA 0.418 54.433 54.000 0.025 0.000 0.834 618 D CB 0.540 41.360 40.800 0.033 0.000 0.944 618 D HN 0.023 nan 8.370 nan 0.000 0.504 619 L N -0.836 120.410 121.223 0.038 0.000 2.854 619 L HA 0.296 4.636 4.340 -0.001 0.000 0.249 619 L C 1.631 178.522 176.870 0.035 0.000 1.091 619 L CA 0.197 55.067 54.840 0.050 0.000 0.935 619 L CB 0.441 42.553 42.059 0.089 0.000 1.367 619 L HN -0.021 nan 8.230 nan 0.000 0.524 620 I N -0.061 120.517 120.570 0.014 0.000 2.099 620 I HA -0.351 3.818 4.170 -0.001 0.000 0.239 620 I C 2.312 178.456 176.117 0.045 0.000 1.066 620 I CA 1.592 62.908 61.300 0.026 0.000 1.324 620 I CB -0.200 37.805 38.000 0.009 0.000 1.037 620 I HN 0.154 nan 8.210 nan 0.000 0.401 621 K N 0.381 120.800 120.400 0.032 0.000 2.032 621 K HA -0.227 4.093 4.320 -0.001 0.000 0.209 621 K C 2.144 178.768 176.600 0.041 0.000 1.048 621 K CA 1.516 57.822 56.287 0.032 0.000 0.927 621 K CB -0.197 32.315 32.500 0.020 0.000 0.712 621 K HN 0.087 nan 8.250 nan 0.000 0.441 622 R N 0.858 121.385 120.500 0.045 0.000 2.357 622 R HA -0.089 4.251 4.340 -0.001 0.000 0.202 622 R C 1.114 177.466 176.300 0.087 0.000 1.047 622 R CA 0.992 57.124 56.100 0.054 0.000 1.034 622 R CB 0.070 30.398 30.300 0.048 0.000 0.875 622 R HN 0.286 nan 8.270 nan 0.000 0.473 623 L N -4.834 116.452 121.223 0.104 0.000 3.712 623 L HA 0.274 4.613 4.340 -0.001 0.000 0.357 623 L C -0.926 176.060 176.870 0.194 0.000 1.071 623 L CA -0.430 54.510 54.840 0.166 0.000 1.346 623 L CB 0.129 42.278 42.059 0.150 0.000 1.923 623 L HN -0.119 nan 8.230 nan 0.000 0.621 624 Q N 1.416 121.294 119.800 0.131 0.000 2.398 624 Q HA -0.107 4.233 4.340 -0.001 0.000 0.355 624 Q C -2.186 173.896 176.000 0.136 0.000 1.334 624 Q CA 0.827 56.704 55.803 0.124 0.000 0.993 624 Q CB -1.506 27.291 28.738 0.099 0.000 1.112 624 Q HN 0.369 nan 8.270 nan 0.000 0.305 625 P HA 0.071 nan 4.420 nan 0.000 0.282 625 P C 0.317 177.660 177.300 0.073 0.000 1.262 625 P CA -0.071 63.106 63.100 0.128 0.000 0.773 625 P CB 0.547 32.344 31.700 0.162 0.000 0.879 626 D N 1.304 121.673 120.400 -0.052 0.000 2.379 626 D HA 0.017 4.657 4.640 -0.001 0.000 0.208 626 D C 0.274 176.078 176.300 -0.826 0.000 1.065 626 D CA 0.098 53.938 54.000 -0.267 0.000 0.848 626 D CB -0.562 40.184 40.800 -0.090 0.000 0.949 626 D HN 0.354 nan 8.370 nan 0.000 0.509 627 C N -3.114 115.821 119.300 -0.609 0.000 3.108 627 C HA 0.649 5.108 4.460 -0.001 0.000 0.321 627 C C 1.340 176.338 174.990 0.012 0.000 1.357 627 C CA -1.165 57.546 59.018 -0.513 0.000 1.562 627 C CB 0.219 27.924 27.740 -0.058 0.000 2.003 627 C HN 0.039 nan 8.230 nan 0.000 0.460 628 F N 0.562 120.634 119.950 0.204 0.000 2.259 628 F HA 0.031 4.558 4.527 -0.001 0.000 0.298 628 F C 2.435 178.297 175.800 0.103 0.000 1.088 628 F CA 1.724 59.855 58.000 0.218 0.000 1.358 628 F CB -0.040 38.957 39.000 -0.006 0.000 1.040 628 F HN 0.745 nan 8.300 nan 0.000 0.505 629 E N 0.929 121.333 120.200 0.339 0.000 2.265 629 E HA -0.141 4.208 4.350 -0.001 0.000 0.196 629 E C 0.076 176.821 176.600 0.241 0.000 0.996 629 E CA 0.915 57.494 56.400 0.298 0.000 0.832 629 E CB -0.554 29.329 29.700 0.306 0.000 0.756 629 E HN 0.603 nan 8.360 nan 0.000 0.491 633 A N 1.570 124.475 122.820 0.142 0.000 2.024 633 A HA -0.114 4.206 4.320 -0.001 0.000 0.220 633 A C 2.129 179.613 177.584 -0.166 0.000 1.164 633 A CA 1.577 53.625 52.037 0.018 0.000 0.643 633 A CB -0.685 18.291 19.000 -0.040 0.000 0.806 633 A HN 0.400 nan 8.150 nan 0.000 0.451 634 L N -1.047 120.100 121.223 -0.126 0.000 1.963 634 L HA -0.224 4.116 4.340 -0.001 0.000 0.220 634 L C 2.560 179.318 176.870 -0.186 0.000 1.076 634 L CA 1.908 56.661 54.840 -0.145 0.000 0.772 634 L CB -0.664 41.333 42.059 -0.103 0.000 0.892 634 L HN 0.328 nan 8.230 nan 0.000 0.435 635 V N -0.364 119.404 119.914 -0.243 0.000 2.720 635 V HA -0.205 3.915 4.120 -0.001 0.000 0.256 635 V C 2.406 178.200 176.094 -0.499 0.000 1.082 635 V CA 1.667 63.784 62.300 -0.306 0.000 1.101 635 V CB -0.118 31.520 31.823 -0.308 0.000 0.693 635 V HN 0.441 nan 8.190 nan 0.000 0.479 636 A N -0.427 121.998 122.820 -0.657 0.000 1.968 636 A HA 0.010 4.329 4.320 -0.001 0.000 0.217 636 A C 2.066 179.483 177.584 -0.278 0.000 1.169 636 A CA 1.764 53.449 52.037 -0.586 0.000 0.638 636 A CB -0.331 18.412 19.000 -0.428 0.000 0.812 636 A HN 0.590 nan 8.150 nan 0.000 0.446 637 L N -2.611 118.460 121.223 -0.253 0.000 2.084 637 L HA 0.137 4.477 4.340 -0.001 0.000 0.202 637 L C 1.259 178.060 176.870 -0.114 0.000 1.074 637 L CA 0.191 54.910 54.840 -0.202 0.000 0.757 637 L CB -0.371 41.535 42.059 -0.255 0.000 0.918 637 L HN 0.376 nan 8.230 nan 0.000 0.444 638 F N 2.624 122.455 119.950 -0.199 0.000 2.624 638 F HA 0.092 4.619 4.527 -0.001 0.000 0.352 638 F C 0.501 176.215 175.800 -0.143 0.000 1.275 638 F CA 0.339 58.246 58.000 -0.154 0.000 1.220 638 F CB -0.634 38.280 39.000 -0.144 0.000 1.674 638 F HN -0.043 nan 8.300 nan 0.000 0.683 639 R N 4.033 124.331 120.500 -0.336 0.000 2.668 639 R HA 0.248 4.588 4.340 -0.001 0.000 0.272 639 R C -1.739 174.363 176.300 -0.330 0.000 1.019 639 R CA -1.539 54.381 56.100 -0.301 0.000 0.894 639 R CB 1.518 31.719 30.300 -0.166 0.000 1.228 639 R HN 0.043 nan 8.270 nan 0.000 0.460 640 P HA -0.181 nan 4.420 nan 0.000 0.215 640 P C 1.021 178.163 177.300 -0.263 0.000 1.153 640 P CA 1.711 64.653 63.100 -0.264 0.000 0.853 640 P CB 0.194 31.766 31.700 -0.213 0.000 0.788 641 G N 0.934 109.543 108.800 -0.318 0.000 2.414 641 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.215 641 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.215 641 G C -0.676 173.962 174.900 -0.436 0.000 1.188 641 G CA 1.010 45.832 45.100 -0.462 0.000 0.783 641 G HN 0.264 nan 8.290 nan 0.000 0.537 642 P HA -0.067 nan 4.420 nan 0.000 0.216 642 P C 1.918 179.128 177.300 -0.151 0.000 1.153 642 P CA 0.837 63.817 63.100 -0.199 0.000 0.858 642 P CB -0.092 31.508 31.700 -0.168 0.000 0.789 643 L N -1.116 120.007 121.223 -0.167 0.000 2.270 643 L HA -0.078 4.262 4.340 -0.001 0.000 0.210 643 L C 2.725 179.528 176.870 -0.112 0.000 1.104 643 L CA 0.810 55.574 54.840 -0.128 0.000 0.804 643 L CB -0.730 41.245 42.059 -0.141 0.000 0.937 643 L HN -0.004 nan 8.230 nan 0.000 0.450 644 Q N 0.488 120.205 119.800 -0.139 0.000 2.096 644 Q HA -0.227 4.113 4.340 -0.001 0.000 0.204 644 Q C 2.237 178.192 176.000 -0.076 0.000 0.982 644 Q CA 2.506 58.240 55.803 -0.114 0.000 0.850 644 Q CB -0.039 28.614 28.738 -0.142 0.000 0.901 644 Q HN 0.595 nan 8.270 nan 0.000 0.422 645 S N -1.317 114.341 115.700 -0.070 0.000 2.377 645 S HA 0.265 4.734 4.470 -0.001 0.000 0.223 645 S C 1.080 175.666 174.600 -0.024 0.000 1.030 645 S CA 0.774 58.959 58.200 -0.025 0.000 0.970 645 S CB -0.134 63.078 63.200 0.021 0.000 0.830 645 S HN 0.750 nan 8.310 nan 0.000 0.473 649 D N 2.021 122.448 120.400 0.044 0.000 2.106 649 D HA -0.168 4.472 4.640 -0.001 0.000 0.191 649 D C 1.738 178.081 176.300 0.073 0.000 0.997 649 D CA 1.918 55.949 54.000 0.052 0.000 0.834 649 D CB -0.281 40.536 40.800 0.029 0.000 0.956 649 D HN 0.445 nan 8.370 nan 0.000 0.448 650 N N -0.412 118.336 118.700 0.081 0.000 2.289 650 N HA -0.141 4.599 4.740 -0.001 0.000 0.184 650 N C 1.579 177.143 175.510 0.090 0.000 1.016 650 N CA 0.421 53.520 53.050 0.082 0.000 0.872 650 N CB -0.244 38.303 38.487 0.101 0.000 0.973 650 N HN 0.222 nan 8.380 nan 0.000 0.433 651 F N 2.241 122.181 119.950 -0.017 0.000 2.118 651 F HA 0.001 4.528 4.527 -0.001 0.000 0.293 651 F C 2.293 178.021 175.800 -0.120 0.000 1.102 651 F CA 0.753 58.731 58.000 -0.036 0.000 1.247 651 F CB -0.348 38.639 39.000 -0.021 0.000 1.017 651 F HN -0.067 nan 8.300 nan 0.000 0.475 652 I N -1.311 119.373 120.570 0.190 0.000 2.286 652 I HA -0.221 3.948 4.170 -0.001 0.000 0.248 652 I C 1.653 177.703 176.117 -0.110 0.000 1.115 652 I CA 1.883 63.219 61.300 0.061 0.000 1.392 652 I CB -0.854 37.226 38.000 0.135 0.000 1.065 652 I HN -0.009 nan 8.210 nan 0.000 0.418 653 D N 1.220 121.594 120.400 -0.045 0.000 2.144 653 D HA -0.147 4.492 4.640 -0.001 0.000 0.200 653 D C 2.251 178.453 176.300 -0.163 0.000 0.978 653 D CA 1.144 55.119 54.000 -0.042 0.000 0.833 653 D CB -0.362 40.437 40.800 -0.002 0.000 0.961 653 D HN 0.407 nan 8.370 nan 0.000 0.470 654 R N 0.379 120.730 120.500 -0.247 0.000 2.316 654 R HA -0.035 4.305 4.340 -0.001 0.000 0.202 654 R C 1.723 177.782 176.300 -0.402 0.000 1.029 654 R CA 0.493 56.434 56.100 -0.265 0.000 1.018 654 R CB 0.246 30.404 30.300 -0.236 0.000 0.888 654 R HN 0.100 nan 8.270 nan 0.000 0.471 655 K N -0.530 119.464 120.400 -0.677 0.000 2.074 655 K HA -0.076 4.244 4.320 -0.001 0.000 0.214 655 K C 1.446 177.750 176.600 -0.493 0.000 1.029 655 K CA 1.192 56.933 56.287 -0.909 0.000 0.966 655 K CB -0.245 31.442 32.500 -1.355 0.000 0.945 655 K HN 0.152 nan 8.250 nan 0.000 0.453 656 H N -0.451 118.497 119.070 -0.203 0.000 2.286 656 H HA -0.181 4.375 4.556 -0.001 0.000 0.284 656 H C 1.433 176.716 175.328 -0.074 0.000 1.116 656 H CA 1.335 57.322 56.048 -0.101 0.000 1.175 656 H CB -0.759 28.955 29.762 -0.079 0.000 1.347 656 H HN 0.457 nan 8.280 nan 0.000 0.475 657 G N -1.162 107.642 108.800 0.007 0.000 3.039 657 G HA2 0.334 4.293 3.960 -0.001 0.000 0.159 657 G HA3 0.334 4.293 3.960 -0.001 0.000 0.159 657 G C 0.547 175.492 174.900 0.075 0.000 1.284 657 G CA -0.238 44.933 45.100 0.118 0.000 0.996 657 G HN 0.237 nan 8.290 nan 0.000 0.592 658 R N 0.036 120.573 120.500 0.062 0.000 2.614 658 R HA -0.143 4.197 4.340 -0.001 0.000 0.156 658 R C 1.665 177.966 176.300 0.001 0.000 0.617 658 R CA 2.272 58.386 56.100 0.023 0.000 1.079 658 R CB -0.453 29.859 30.300 0.020 0.000 0.521 658 R HN 0.700 nan 8.270 nan 0.000 0.549 659 E N 0.377 120.567 120.200 -0.017 0.000 3.837 659 E HA 0.072 4.421 4.350 -0.001 0.000 0.280 659 E C -0.692 175.884 176.600 -0.040 0.000 1.282 659 E CA -0.397 55.991 56.400 -0.021 0.000 1.431 659 E CB 0.466 30.158 29.700 -0.014 0.000 1.509 659 E HN 0.449 nan 8.360 nan 0.000 0.728 660 E N 0.101 120.276 120.200 -0.043 0.000 2.244 660 E HA 0.350 4.700 4.350 -0.001 0.000 0.266 660 E C -0.682 175.864 176.600 -0.090 0.000 0.914 660 E CA -0.804 55.566 56.400 -0.050 0.000 0.794 660 E CB 1.283 30.962 29.700 -0.034 0.000 1.210 660 E HN 0.432 nan 8.360 nan 0.000 0.414 661 I N 2.448 122.949 120.570 -0.114 0.000 2.416 661 I HA 0.212 4.381 4.170 -0.001 0.000 0.288 661 I C -0.326 175.563 176.117 -0.380 0.000 1.051 661 I CA -0.099 61.056 61.300 -0.242 0.000 1.375 661 I CB 0.964 38.851 38.000 -0.189 0.000 1.407 661 I HN 0.302 nan 8.210 nan 0.000 0.516 662 S N 4.516 119.903 115.700 -0.522 0.000 2.556 662 S HA 0.597 5.067 4.470 -0.001 0.000 0.271 662 S C -1.081 173.189 174.600 -0.550 0.000 1.135 662 S CA -0.884 57.029 58.200 -0.478 0.000 0.858 662 S CB 1.205 64.317 63.200 -0.147 0.000 1.114 662 S HN 0.435 nan 8.310 nan 0.000 0.468 663 Y N 1.035 121.363 120.300 0.046 0.000 2.837 663 Y HA 0.401 4.951 4.550 -0.001 0.000 0.356 663 Y C -2.355 173.582 175.900 0.061 0.000 1.035 663 Y CA -1.904 56.226 58.100 0.050 0.000 1.165 663 Y CB 0.893 39.385 38.460 0.053 0.000 1.147 663 Y HN 0.482 nan 8.280 nan 0.000 0.628 664 P HA 0.064 nan 4.420 nan 0.000 0.210 664 P C 0.041 177.324 177.300 -0.029 0.000 1.130 664 P CA 0.498 63.580 63.100 -0.029 0.000 0.905 664 P CB 0.774 32.349 31.700 -0.208 0.000 0.774 665 D N -1.149 119.267 120.400 0.026 0.000 2.358 665 D HA 0.064 4.704 4.640 -0.001 0.000 0.244 665 D C 1.577 177.954 176.300 0.128 0.000 1.163 665 D CA -0.161 53.909 54.000 0.116 0.000 0.945 665 D CB 0.948 41.906 40.800 0.262 0.000 1.152 665 D HN -0.312 nan 8.370 nan 0.000 0.451 666 V N 0.846 120.838 119.914 0.129 0.000 2.282 666 V HA -0.281 3.838 4.120 -0.001 0.000 0.249 666 V C 2.088 178.174 176.094 -0.013 0.000 1.057 666 V CA 2.175 64.506 62.300 0.052 0.000 1.032 666 V CB -0.715 31.142 31.823 0.057 0.000 0.645 666 V HN 0.635 nan 8.190 nan 0.000 0.447 667 Q N -1.166 118.590 119.800 -0.073 0.000 2.063 667 Q HA -0.057 4.283 4.340 -0.001 0.000 0.194 667 Q C 0.812 176.680 176.000 -0.221 0.000 0.974 667 Q CA 0.330 55.926 55.803 -0.345 0.000 0.827 667 Q CB 0.096 28.265 28.738 -0.949 0.000 0.902 667 Q HN 0.662 nan 8.270 nan 0.000 0.462 668 W N 3.489 124.799 121.300 0.017 0.000 2.598 668 W HA 0.167 4.827 4.660 -0.001 0.000 0.396 668 W C 0.125 176.665 176.519 0.035 0.000 1.142 668 W CA 0.057 57.417 57.345 0.025 0.000 1.568 668 W CB -0.297 29.167 29.460 0.006 0.000 1.637 668 W HN 0.415 nan 8.180 nan 0.000 0.417 669 Q N 2.165 122.091 119.800 0.210 0.000 2.462 669 Q HA 0.318 4.657 4.340 -0.001 0.000 0.285 669 Q C -1.825 174.340 176.000 0.275 0.000 1.035 669 Q CA -0.638 55.292 55.803 0.211 0.000 0.799 669 Q CB 2.907 31.736 28.738 0.151 0.000 1.452 669 Q HN 0.497 nan 8.270 nan 0.000 0.404 670 H N 0.170 119.335 119.070 0.158 0.000 2.949 670 H HA 0.303 4.859 4.556 -0.001 0.000 0.356 670 H C -0.586 174.797 175.328 0.093 0.000 1.212 670 H CA -0.239 55.876 56.048 0.113 0.000 1.136 670 H CB 2.359 32.179 29.762 0.097 0.000 1.869 670 H HN 0.765 nan 8.280 nan 0.000 0.556 671 E N -0.313 119.554 120.200 -0.554 0.000 2.251 671 E HA -0.015 4.334 4.350 -0.001 0.000 0.194 671 E C 1.543 177.955 176.600 -0.314 0.000 0.964 671 E CA 0.932 57.108 56.400 -0.374 0.000 0.868 671 E CB 0.295 29.784 29.700 -0.351 0.000 0.828 671 E HN 0.539 nan 8.360 nan 0.000 0.481 672 S N -0.066 115.472 115.700 -0.271 0.000 2.474 672 S HA -0.094 4.376 4.470 -0.001 0.000 0.235 672 S C 1.403 176.006 174.600 0.005 0.000 0.997 672 S CA 0.431 58.613 58.200 -0.030 0.000 0.949 672 S CB -0.155 63.142 63.200 0.162 0.000 0.766 672 S HN 0.165 nan 8.310 nan 0.000 0.517 673 L N 1.504 122.740 121.223 0.022 0.000 2.675 673 L HA 0.278 4.618 4.340 -0.001 0.000 0.239 673 L C 2.013 178.774 176.870 -0.182 0.000 1.151 673 L CA 0.554 55.406 54.840 0.019 0.000 0.905 673 L CB -0.848 41.304 42.059 0.154 0.000 1.057 673 L HN 0.266 nan 8.230 nan 0.000 0.435 674 K N 0.791 120.992 120.400 -0.332 0.000 1.981 674 K HA -0.222 4.097 4.320 -0.001 0.000 0.228 674 K C -0.464 175.991 176.600 -0.242 0.000 1.050 674 K CA 2.275 58.291 56.287 -0.452 0.000 1.001 674 K CB -1.191 31.138 32.500 -0.286 0.000 0.738 674 K HN 0.236 nan 8.250 nan 0.000 0.447 675 P HA -0.041 nan 4.420 nan 0.000 0.229 675 P C 1.068 178.375 177.300 0.011 0.000 1.160 675 P CA 0.747 63.822 63.100 -0.041 0.000 0.777 675 P CB 0.209 31.892 31.700 -0.028 0.000 0.814 676 V N -1.015 118.916 119.914 0.028 0.000 2.871 676 V HA -0.064 4.055 4.120 -0.001 0.000 0.256 676 V C 1.875 178.051 176.094 0.135 0.000 1.082 676 V CA 1.493 63.845 62.300 0.087 0.000 1.105 676 V CB -0.705 31.175 31.823 0.096 0.000 0.713 676 V HN 0.101 nan 8.190 nan 0.000 0.473 677 L N -1.716 119.596 121.223 0.147 0.000 2.920 677 L HA 0.221 4.560 4.340 -0.001 0.000 0.257 677 L C 2.159 179.142 176.870 0.189 0.000 1.150 677 L CA 0.011 54.982 54.840 0.219 0.000 0.959 677 L CB -0.010 42.249 42.059 0.334 0.000 1.321 677 L HN 0.120 nan 8.230 nan 0.000 0.555 678 E N 1.685 121.969 120.200 0.140 0.000 2.065 678 E HA -0.205 4.145 4.350 -0.001 0.000 0.201 678 E C -0.585 175.949 176.600 -0.111 0.000 1.016 678 E CA 1.713 58.154 56.400 0.068 0.000 0.818 678 E CB -1.429 28.289 29.700 0.029 0.000 0.749 678 E HN 0.413 nan 8.360 nan 0.000 0.453 679 P HA -0.121 nan 4.420 nan 0.000 0.219 679 P C 1.252 178.377 177.300 -0.291 0.000 1.146 679 P CA 1.609 64.636 63.100 -0.122 0.000 0.808 679 P CB -0.128 31.625 31.700 0.088 0.000 0.779 680 T N -2.714 111.771 114.554 -0.116 0.000 3.176 680 T HA 0.133 4.482 4.350 -0.001 0.000 0.263 680 T C -0.031 174.710 174.700 0.068 0.000 1.021 680 T CA -0.648 61.511 62.100 0.099 0.000 0.905 680 T CB -0.940 68.099 68.868 0.284 0.000 1.057 680 T HN -0.037 nan 8.240 nan 0.000 0.558 681 Y N -0.377 119.923 120.300 -0.001 0.000 4.079 681 Y HA -0.238 4.311 4.550 -0.001 0.000 0.223 681 Y C 1.538 177.353 175.900 -0.141 0.000 1.155 681 Y CA 0.714 58.722 58.100 -0.152 0.000 1.805 681 Y CB -2.112 36.091 38.460 -0.429 0.000 1.571 681 Y HN 0.550 nan 8.280 nan 0.000 0.654 682 G N -1.245 107.581 108.800 0.043 0.000 2.604 682 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.205 682 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.205 682 G C 0.097 175.056 174.900 0.099 0.000 1.186 682 G CA -0.384 44.699 45.100 -0.028 0.000 0.753 682 G HN 0.334 nan 8.290 nan 0.000 0.526 683 I N 3.127 123.804 120.570 0.178 0.000 2.775 683 I HA 0.191 4.360 4.170 -0.001 0.000 0.290 683 I C 1.038 177.345 176.117 0.316 0.000 1.203 683 I CA 0.295 61.795 61.300 0.335 0.000 1.433 683 I CB 0.447 38.696 38.000 0.416 0.000 1.354 683 I HN 0.227 nan 8.210 nan 0.000 0.579 684 I N 6.904 127.706 120.570 0.388 0.000 2.483 684 I HA -0.058 4.112 4.170 -0.001 0.000 0.291 684 I C 1.022 177.299 176.117 0.266 0.000 1.112 684 I CA 0.130 61.621 61.300 0.318 0.000 1.350 684 I CB 0.291 38.463 38.000 0.286 0.000 1.419 684 I HN 0.596 nan 8.210 nan 0.000 0.523 685 L N 7.334 128.596 121.223 0.064 0.000 2.221 685 L HA 0.164 4.504 4.340 -0.001 0.000 0.202 685 L C 0.196 176.881 176.870 -0.309 0.000 1.074 685 L CA 1.376 56.062 54.840 -0.257 0.000 0.795 685 L CB -0.149 41.518 42.059 -0.652 0.000 0.960 685 L HN 0.367 nan 8.230 nan 0.000 0.458 686 Y N -1.088 119.326 120.300 0.190 0.000 2.587 686 Y HA 0.308 4.857 4.550 -0.001 0.000 0.337 686 Y C 1.560 177.543 175.900 0.140 0.000 1.065 686 Y CA -0.772 57.437 58.100 0.182 0.000 1.126 686 Y CB 0.851 39.425 38.460 0.189 0.000 1.279 686 Y HN -0.052 nan 8.280 nan 0.000 0.489 687 Q N 0.182 120.160 119.800 0.298 0.000 2.046 687 Q HA -0.175 4.165 4.340 -0.001 0.000 0.200 687 Q C 1.338 177.436 176.000 0.164 0.000 0.975 687 Q CA 1.803 57.708 55.803 0.170 0.000 0.836 687 Q CB -0.064 28.744 28.738 0.116 0.000 0.896 687 Q HN 0.738 nan 8.270 nan 0.000 0.428 688 E N 1.107 121.421 120.200 0.189 0.000 2.169 688 E HA -0.243 4.106 4.350 -0.001 0.000 0.202 688 E C 1.862 178.560 176.600 0.163 0.000 1.016 688 E CA 1.676 58.169 56.400 0.155 0.000 0.817 688 E CB -0.062 29.718 29.700 0.134 0.000 0.736 688 E HN 0.403 nan 8.360 nan 0.000 0.462 689 Q N -0.449 119.482 119.800 0.217 0.000 2.331 689 Q HA 0.095 4.435 4.340 -0.001 0.000 0.203 689 Q C 0.912 177.005 176.000 0.155 0.000 0.944 689 Q CA 0.063 55.987 55.803 0.202 0.000 0.892 689 Q CB 0.405 29.302 28.738 0.266 0.000 0.983 689 Q HN 0.135 nan 8.270 nan 0.000 0.482 693 I N -1.471 119.186 120.570 0.145 0.000 2.876 693 I HA 0.241 4.411 4.170 -0.001 0.000 0.264 693 I C 1.947 178.222 176.117 0.263 0.000 1.204 693 I CA 1.231 62.641 61.300 0.185 0.000 1.485 693 I CB 0.019 38.130 38.000 0.184 0.000 1.103 693 I HN 0.086 nan 8.210 nan 0.000 0.446 694 A N 0.924 123.900 122.820 0.260 0.000 1.898 694 A HA -0.210 4.110 4.320 -0.001 0.000 0.216 694 A C 2.471 180.204 177.584 0.248 0.000 1.181 694 A CA 1.713 53.935 52.037 0.308 0.000 0.620 694 A CB -0.757 18.214 19.000 -0.049 0.000 0.819 694 A HN 0.648 nan 8.150 nan 0.000 0.442 695 Q N 0.004 119.918 119.800 0.189 0.000 2.119 695 Q HA -0.121 4.218 4.340 -0.001 0.000 0.201 695 Q C 1.910 177.977 176.000 0.111 0.000 0.972 695 Q CA 2.288 58.198 55.803 0.178 0.000 0.847 695 Q CB -0.096 28.724 28.738 0.136 0.000 0.903 695 Q HN 0.707 nan 8.270 nan 0.000 0.433 696 V N -2.321 117.648 119.914 0.092 0.000 3.621 696 V HA 0.074 4.194 4.120 -0.001 0.000 0.263 696 V C 1.810 177.931 176.094 0.046 0.000 1.272 696 V CA 0.304 62.642 62.300 0.064 0.000 1.080 696 V CB 0.019 31.882 31.823 0.067 0.000 0.816 696 V HN 0.316 nan 8.190 nan 0.000 0.451 697 L N 0.221 121.464 121.223 0.033 0.000 2.084 697 L HA 0.094 4.433 4.340 -0.001 0.000 0.202 697 L C 2.317 179.086 176.870 -0.169 0.000 1.074 697 L CA 1.896 56.711 54.840 -0.042 0.000 0.757 697 L CB 0.174 42.236 42.059 0.005 0.000 0.918 697 L HN 0.423 nan 8.230 nan 0.000 0.444 698 S N -0.949 114.592 115.700 -0.264 0.000 2.506 698 S HA 0.273 4.742 4.470 -0.001 0.000 0.219 698 S C 0.692 175.173 174.600 -0.198 0.000 1.031 698 S CA 0.439 58.416 58.200 -0.372 0.000 0.911 698 S CB 0.869 63.573 63.200 -0.826 0.000 0.812 698 S HN 0.624 nan 8.310 nan 0.000 0.497 699 G N 1.718 110.491 108.800 -0.044 0.000 2.734 699 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.277 699 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.277 699 G C -0.607 174.258 174.900 -0.059 0.000 1.099 699 G CA -0.565 44.519 45.100 -0.026 0.000 1.218 699 G HN 0.333 nan 8.290 nan 0.000 0.554 700 Y N -0.452 119.839 120.300 -0.015 0.000 2.376 700 Y HA 0.569 5.118 4.550 -0.001 0.000 0.325 700 Y C 1.913 177.833 175.900 0.034 0.000 1.199 700 Y CA 0.067 58.181 58.100 0.024 0.000 1.206 700 Y CB 1.619 40.119 38.460 0.066 0.000 1.229 700 Y HN 0.363 nan 8.280 nan 0.000 0.480 701 T N 1.765 116.427 114.554 0.181 0.000 3.227 701 T HA -0.002 4.347 4.350 -0.001 0.000 0.257 701 T C 1.308 176.094 174.700 0.143 0.000 1.162 701 T CA 1.311 63.486 62.100 0.126 0.000 1.051 701 T CB -0.671 68.251 68.868 0.089 0.000 0.953 701 T HN 0.786 nan 8.240 nan 0.000 0.535 702 L N -1.457 119.871 121.223 0.175 0.000 3.159 702 L HA -0.302 4.038 4.340 -0.001 0.000 0.370 702 L C 2.305 179.250 176.870 0.126 0.000 1.458 702 L CA 1.612 56.538 54.840 0.142 0.000 3.093 702 L CB -1.976 40.161 42.059 0.131 0.000 1.152 702 L HN 0.468 nan 8.230 nan 0.000 0.779 703 G N -0.697 108.178 108.800 0.126 0.000 2.491 703 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.218 703 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.218 703 G C 1.258 176.227 174.900 0.114 0.000 1.180 703 G CA 1.570 46.733 45.100 0.105 0.000 0.774 703 G HN 0.654 nan 8.290 nan 0.000 0.562 704 G N 0.862 109.760 108.800 0.163 0.000 2.422 704 G HA2 0.075 4.034 3.960 -0.001 0.000 0.218 704 G HA3 0.075 4.034 3.960 -0.001 0.000 0.218 704 G C 2.012 177.055 174.900 0.238 0.000 1.146 704 G CA 1.472 46.715 45.100 0.239 0.000 0.769 704 G HN 0.700 nan 8.290 nan 0.000 0.547 705 A N 0.243 123.163 122.820 0.167 0.000 1.969 705 A HA 0.113 4.432 4.320 -0.001 0.000 0.218 705 A C 1.346 178.918 177.584 -0.021 0.000 1.169 705 A CA 1.279 53.294 52.037 -0.037 0.000 0.635 705 A CB -0.359 18.649 19.000 0.013 0.000 0.810 705 A HN 0.418 nan 8.150 nan 0.000 0.445 709 R N 0.676 121.149 120.500 -0.046 0.000 2.103 709 R HA -0.127 4.212 4.340 -0.001 0.000 0.242 709 R C 1.967 178.247 176.300 -0.033 0.000 1.142 709 R CA 2.306 58.379 56.100 -0.045 0.000 0.960 709 R CB -0.141 30.143 30.300 -0.026 0.000 0.858 709 R HN 0.448 nan 8.270 nan 0.000 0.439 710 R N -0.083 120.407 120.500 -0.017 0.000 2.148 710 R HA 0.068 4.408 4.340 -0.001 0.000 0.223 710 R C 1.134 177.427 176.300 -0.011 0.000 1.088 710 R CA 0.589 56.680 56.100 -0.014 0.000 0.985 710 R CB -0.068 30.227 30.300 -0.008 0.000 0.880 710 R HN 0.169 nan 8.270 nan 0.000 0.451 714 K N 2.205 122.593 120.400 -0.020 0.000 2.758 714 K HA 0.217 4.537 4.320 -0.001 0.000 0.250 714 K C -0.364 176.230 176.600 -0.010 0.000 1.268 714 K CA -0.185 56.094 56.287 -0.013 0.000 1.228 714 K CB 0.224 32.721 32.500 -0.005 0.000 1.715 714 K HN 0.195 nan 8.250 nan 0.000 0.334 715 K N 2.217 122.606 120.400 -0.018 0.000 2.253 715 K HA -0.038 4.281 4.320 -0.001 0.000 0.273 715 K C -0.093 176.503 176.600 -0.007 0.000 1.118 715 K CA 0.736 57.013 56.287 -0.017 0.000 1.100 715 K CB 0.116 32.599 32.500 -0.027 0.000 0.932 715 K HN 0.101 nan 8.250 nan 0.000 0.433 716 K N 3.910 124.311 120.400 0.002 0.000 2.541 716 K HA 0.160 4.479 4.320 -0.001 0.000 0.250 716 K C -2.120 174.488 176.600 0.013 0.000 0.950 716 K CA -2.048 54.242 56.287 0.005 0.000 0.805 716 K CB 1.668 34.172 32.500 0.006 0.000 1.166 716 K HN 0.050 nan 8.250 nan 0.000 0.430 717 P HA -0.280 nan 4.420 nan 0.000 0.222 717 P C 0.798 178.113 177.300 0.025 0.000 1.159 717 P CA 1.447 64.558 63.100 0.018 0.000 0.920 717 P CB 0.413 32.120 31.700 0.013 0.000 0.793 718 E N -0.118 120.094 120.200 0.021 0.000 2.072 718 E HA -0.128 4.221 4.350 -0.001 0.000 0.191 718 E C 1.125 177.743 176.600 0.030 0.000 0.985 718 E CA 0.768 57.181 56.400 0.022 0.000 0.801 718 E CB -0.441 29.269 29.700 0.017 0.000 0.750 718 E HN 0.350 nan 8.360 nan 0.000 0.452 722 K N 0.125 120.548 120.400 0.037 0.000 2.020 722 K HA -0.243 4.077 4.320 -0.001 0.000 0.212 722 K C 1.902 178.531 176.600 0.047 0.000 1.050 722 K CA 2.248 58.556 56.287 0.036 0.000 0.929 722 K CB -0.129 32.397 32.500 0.042 0.000 0.714 722 K HN 0.465 nan 8.250 nan 0.000 0.443 723 Q N 0.088 119.939 119.800 0.084 0.000 2.224 723 Q HA -0.052 4.287 4.340 -0.001 0.000 0.203 723 Q C 1.990 177.997 176.000 0.012 0.000 0.970 723 Q CA 1.155 57.039 55.803 0.135 0.000 0.865 723 Q CB 0.013 28.879 28.738 0.214 0.000 0.922 723 Q HN 0.238 nan 8.270 nan 0.000 0.445 724 R N -0.403 120.057 120.500 -0.066 0.000 2.152 724 R HA -0.130 4.210 4.340 -0.001 0.000 0.232 724 R C 2.022 178.151 176.300 -0.284 0.000 1.117 724 R CA 1.619 57.522 56.100 -0.329 0.000 0.981 724 R CB 0.007 30.255 30.300 -0.086 0.000 0.870 724 R HN 0.363 nan 8.270 nan 0.000 0.451 725 S N -1.560 114.075 115.700 -0.108 0.000 2.475 725 S HA 0.023 4.493 4.470 -0.001 0.000 0.224 725 S C 1.875 176.453 174.600 -0.036 0.000 1.042 725 S CA 0.259 58.420 58.200 -0.066 0.000 0.935 725 S CB 0.167 63.345 63.200 -0.037 0.000 0.801 725 S HN 0.076 nan 8.310 nan 0.000 0.509 726 V N 1.242 121.154 119.914 -0.004 0.000 2.490 726 V HA -0.079 4.040 4.120 -0.001 0.000 0.250 726 V C 2.066 178.161 176.094 0.002 0.000 1.061 726 V CA 1.976 64.272 62.300 -0.007 0.000 1.064 726 V CB -0.979 30.861 31.823 0.027 0.000 0.670 726 V HN 0.545 nan 8.190 nan 0.000 0.461 727 F N 0.919 120.822 119.950 -0.080 0.000 2.163 727 F HA -0.018 4.508 4.527 -0.001 0.000 0.297 727 F C 2.303 178.035 175.800 -0.114 0.000 1.094 727 F CA 1.326 59.296 58.000 -0.050 0.000 1.290 727 F CB -0.286 38.559 39.000 -0.259 0.000 1.017 727 F HN 0.083 nan 8.300 nan 0.000 0.483 728 A N -0.518 122.322 122.820 0.034 0.000 1.968 728 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 728 A C 2.102 179.660 177.584 -0.043 0.000 1.169 728 A CA 1.526 53.561 52.037 -0.005 0.000 0.638 728 A CB -0.586 18.395 19.000 -0.032 0.000 0.812 728 A HN 0.471 nan 8.150 nan 0.000 0.446 729 E N -0.743 119.421 120.200 -0.060 0.000 2.076 729 E HA -0.065 4.285 4.350 -0.001 0.000 0.190 729 E C 2.072 178.611 176.600 -0.102 0.000 0.979 729 E CA 0.686 57.045 56.400 -0.070 0.000 0.807 729 E CB -0.283 29.379 29.700 -0.064 0.000 0.761 729 E HN 0.585 nan 8.360 nan 0.000 0.454 730 G N 0.888 109.599 108.800 -0.150 0.000 2.559 730 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.216 730 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.216 730 G C 1.525 176.305 174.900 -0.200 0.000 1.126 730 G CA 0.707 45.688 45.100 -0.198 0.000 0.778 730 G HN 0.275 nan 8.290 nan 0.000 0.543 731 A N 0.595 123.303 122.820 -0.187 0.000 1.929 731 A HA 0.117 4.436 4.320 -0.001 0.000 0.216 731 A C 2.112 179.633 177.584 -0.105 0.000 1.176 731 A CA 1.887 53.825 52.037 -0.165 0.000 0.628 731 A CB -0.179 18.747 19.000 -0.124 0.000 0.816 731 A HN 0.349 nan 8.150 nan 0.000 0.444 732 E N 0.362 120.514 120.200 -0.080 0.000 2.072 732 E HA -0.083 4.266 4.350 -0.001 0.000 0.190 732 E C 1.937 178.503 176.600 -0.057 0.000 0.982 732 E CA 1.366 57.732 56.400 -0.056 0.000 0.803 732 E CB -0.135 29.539 29.700 -0.043 0.000 0.755 732 E HN 0.573 nan 8.360 nan 0.000 0.453 733 K N 0.089 120.445 120.400 -0.073 0.000 2.032 733 K HA -0.142 4.177 4.320 -0.001 0.000 0.209 733 K C 1.859 178.421 176.600 -0.063 0.000 1.048 733 K CA 1.540 57.785 56.287 -0.069 0.000 0.927 733 K CB -0.206 32.241 32.500 -0.088 0.000 0.712 733 K HN 0.066 nan 8.250 nan 0.000 0.441 734 N N -0.389 118.265 118.700 -0.076 0.000 2.354 734 N HA -0.002 4.738 4.740 -0.001 0.000 0.179 734 N C 0.089 175.578 175.510 -0.035 0.000 1.021 734 N CA 1.018 54.034 53.050 -0.057 0.000 0.887 734 N CB 0.261 38.706 38.487 -0.069 0.000 0.974 734 N HN 0.354 nan 8.380 nan 0.000 0.437 735 G N 0.090 108.865 108.800 -0.041 0.000 2.850 735 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.686 735 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.686 735 G C 0.473 175.373 174.900 0.000 0.000 1.164 735 G CA 0.125 45.214 45.100 -0.019 0.000 0.826 735 G HN 0.283 nan 8.290 nan 0.000 0.586 736 I N -0.490 120.083 120.570 0.006 0.000 3.738 736 I HA 0.389 4.559 4.170 -0.001 0.000 0.250 736 I C 0.973 177.076 176.117 -0.024 0.000 1.117 736 I CA -0.256 61.040 61.300 -0.006 0.000 1.624 736 I CB -0.227 37.783 38.000 0.016 0.000 1.637 736 I HN 0.417 nan 8.210 nan 0.000 0.431 737 N N 2.603 121.297 118.700 -0.009 0.000 2.394 737 N HA 0.251 4.990 4.740 -0.001 0.000 0.282 737 N C -0.100 175.399 175.510 -0.018 0.000 1.351 737 N CA 0.425 53.474 53.050 -0.002 0.000 0.936 737 N CB 0.493 38.999 38.487 0.032 0.000 1.274 737 N HN 0.532 nan 8.380 nan 0.000 0.489 738 A N 2.510 125.329 122.820 -0.002 0.000 2.529 738 A HA 0.420 4.740 4.320 -0.001 0.000 0.269 738 A C 1.138 178.747 177.584 0.042 0.000 1.509 738 A CA 0.284 52.330 52.037 0.015 0.000 0.857 738 A CB 0.067 19.071 19.000 0.006 0.000 1.531 738 A HN 0.776 nan 8.150 nan 0.000 0.541 739 E N -2.784 117.449 120.200 0.055 0.000 4.609 739 E HA -0.308 4.042 4.350 -0.001 0.000 0.178 739 E C 1.234 177.905 176.600 0.120 0.000 1.274 739 E CA 2.020 58.465 56.400 0.076 0.000 2.344 739 E CB -1.520 28.218 29.700 0.064 0.000 1.833 739 E HN 1.064 nan 8.360 nan 0.000 0.404 740 L N 2.017 123.315 121.223 0.125 0.000 2.043 740 L HA 0.072 4.411 4.340 -0.001 0.000 0.212 740 L C 1.667 178.656 176.870 0.200 0.000 1.075 740 L CA 2.715 57.667 54.840 0.187 0.000 0.752 740 L CB -0.986 41.154 42.059 0.135 0.000 0.891 740 L HN 0.416 nan 8.230 nan 0.000 0.432 744 I N 1.091 121.686 120.570 0.042 0.000 2.394 744 I HA -0.122 4.047 4.170 -0.001 0.000 0.251 744 I C 2.040 178.136 176.117 -0.035 0.000 1.136 744 I CA 1.262 62.577 61.300 0.025 0.000 1.425 744 I CB -0.043 38.047 38.000 0.150 0.000 1.079 744 I HN 0.159 nan 8.210 nan 0.000 0.425 745 F N 2.108 121.963 119.950 -0.159 0.000 2.206 745 F HA -0.201 4.325 4.527 -0.001 0.000 0.298 745 F C 1.878 177.519 175.800 -0.265 0.000 1.090 745 F CA 1.696 59.487 58.000 -0.348 0.000 1.323 745 F CB -0.283 38.431 39.000 -0.476 0.000 1.028 745 F HN 0.138 nan 8.300 nan 0.000 0.492 746 D N 0.647 120.997 120.400 -0.085 0.000 2.149 746 D HA -0.173 4.466 4.640 -0.001 0.000 0.198 746 D C 2.073 178.220 176.300 -0.256 0.000 0.990 746 D CA 1.684 55.591 54.000 -0.156 0.000 0.839 746 D CB -0.308 40.426 40.800 -0.111 0.000 0.948 746 D HN 0.361 nan 8.370 nan 0.000 0.460 747 L N -0.394 120.670 121.223 -0.264 0.000 2.609 747 L HA 0.133 4.473 4.340 -0.001 0.000 0.230 747 L C 2.072 178.813 176.870 -0.216 0.000 1.087 747 L CA 0.000 54.705 54.840 -0.226 0.000 0.874 747 L CB 0.492 42.397 42.059 -0.256 0.000 1.114 747 L HN -0.123 nan 8.230 nan 0.000 0.488 748 V N 0.163 119.902 119.914 -0.292 0.000 2.759 748 V HA -0.170 3.950 4.120 -0.001 0.000 0.256 748 V C 2.155 178.079 176.094 -0.283 0.000 1.080 748 V CA 1.559 63.705 62.300 -0.257 0.000 1.101 748 V CB -0.094 31.576 31.823 -0.255 0.000 0.698 748 V HN 0.430 nan 8.190 nan 0.000 0.477 749 E N -0.443 119.504 120.200 -0.422 0.000 2.511 749 E HA -0.057 4.293 4.350 -0.001 0.000 0.196 749 E C 1.222 177.671 176.600 -0.252 0.000 1.066 749 E CA 0.351 56.509 56.400 -0.403 0.000 0.871 749 E CB 0.211 29.579 29.700 -0.553 0.000 0.863 749 E HN 0.470 nan 8.360 nan 0.000 0.520 750 K N -0.788 119.509 120.400 -0.172 0.000 2.520 750 K HA 0.096 4.415 4.320 -0.001 0.000 0.206 750 K C 0.304 176.850 176.600 -0.090 0.000 1.122 750 K CA -0.154 56.036 56.287 -0.162 0.000 1.045 750 K CB 0.417 32.839 32.500 -0.130 0.000 0.932 750 K HN 0.003 nan 8.250 nan 0.000 0.571 751 F N 0.328 120.122 119.950 -0.260 0.000 2.731 751 F HA 0.219 4.746 4.527 -0.001 0.000 0.298 751 F C 1.639 177.322 175.800 -0.194 0.000 1.106 751 F CA 0.090 57.967 58.000 -0.204 0.000 1.329 751 F CB 0.671 39.605 39.000 -0.110 0.000 1.100 751 F HN -0.049 nan 8.300 nan 0.000 0.592 752 A N -0.960 121.821 122.820 -0.064 0.000 2.431 752 A HA 0.406 4.725 4.320 -0.001 0.000 0.239 752 A C 2.297 179.795 177.584 -0.143 0.000 1.230 752 A CA 0.656 52.648 52.037 -0.076 0.000 0.928 752 A CB -0.952 18.012 19.000 -0.061 0.000 1.006 752 A HN 0.281 nan 8.150 nan 0.000 0.520 753 G N 0.172 108.808 108.800 -0.272 0.000 2.442 753 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.219 753 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.219 753 G C 0.582 175.370 174.900 -0.187 0.000 1.141 753 G CA 1.455 46.384 45.100 -0.285 0.000 0.763 753 G HN 0.859 nan 8.290 nan 0.000 0.554 754 Y N -1.151 119.120 120.300 -0.049 0.000 2.544 754 Y HA 0.676 5.226 4.550 -0.001 0.000 0.347 754 Y C 0.148 176.038 175.900 -0.017 0.000 1.089 754 Y CA -2.010 56.068 58.100 -0.037 0.000 1.230 754 Y CB 0.125 38.555 38.460 -0.049 0.000 1.101 754 Y HN 0.142 nan 8.280 nan 0.000 0.641 755 G N 1.195 110.063 108.800 0.113 0.000 2.417 755 G HA2 0.512 4.471 3.960 -0.001 0.000 0.334 755 G HA3 0.512 4.471 3.960 -0.001 0.000 0.334 755 G C -1.613 173.414 174.900 0.211 0.000 1.150 755 G CA -0.860 44.325 45.100 0.143 0.000 0.923 755 G HN 0.463 nan 8.290 nan 0.000 0.485 756 F N 0.442 120.464 119.950 0.120 0.000 2.389 756 F HA 0.238 4.764 4.527 -0.001 0.000 0.337 756 F C 1.164 177.120 175.800 0.259 0.000 1.112 756 F CA -0.409 57.700 58.000 0.182 0.000 1.192 756 F CB 1.063 40.196 39.000 0.221 0.000 1.185 756 F HN 0.492 nan 8.300 nan 0.000 0.552 757 N N 4.484 123.102 118.700 -0.137 0.000 2.400 757 N HA -0.050 4.689 4.740 -0.001 0.000 0.278 757 N C 1.135 176.801 175.510 0.260 0.000 1.247 757 N CA 0.002 53.068 53.050 0.026 0.000 0.970 757 N CB 0.361 38.784 38.487 -0.107 0.000 1.312 757 N HN 0.650 nan 8.380 nan 0.000 0.488 758 K N 1.776 122.318 120.400 0.237 0.000 2.097 758 K HA -0.168 4.151 4.320 -0.001 0.000 0.206 758 K C 1.815 178.447 176.600 0.053 0.000 1.049 758 K CA 1.191 57.459 56.287 -0.032 0.000 0.933 758 K CB -0.059 32.086 32.500 -0.591 0.000 0.717 758 K HN 0.487 nan 8.250 nan 0.000 0.442 759 S N -0.124 115.633 115.700 0.096 0.000 2.402 759 S HA -0.176 4.293 4.470 -0.001 0.000 0.229 759 S C 1.977 176.665 174.600 0.148 0.000 1.021 759 S CA 0.836 59.092 58.200 0.094 0.000 0.974 759 S CB -0.358 62.891 63.200 0.081 0.000 0.800 759 S HN 0.448 nan 8.310 nan 0.000 0.484 760 H N 0.567 119.724 119.070 0.145 0.000 2.299 760 H HA 0.023 4.579 4.556 -0.001 0.000 0.302 760 H C 2.589 178.153 175.328 0.392 0.000 1.078 760 H CA 1.671 57.857 56.048 0.231 0.000 1.323 760 H CB -0.655 29.201 29.762 0.158 0.000 1.381 760 H HN 0.488 nan 8.280 nan 0.000 0.498 761 S N -0.161 115.920 115.700 0.636 0.000 2.374 761 S HA -0.169 4.301 4.470 -0.001 0.000 0.227 761 S C 2.264 177.061 174.600 0.330 0.000 1.037 761 S CA 1.353 59.906 58.200 0.588 0.000 1.024 761 S CB -0.328 63.195 63.200 0.539 0.000 0.861 761 S HN 0.571 nan 8.310 nan 0.000 0.456 762 A N 0.651 123.591 122.820 0.200 0.000 2.021 762 A HA 0.452 4.772 4.320 -0.001 0.000 0.216 762 A C 2.321 179.973 177.584 0.113 0.000 1.163 762 A CA 1.330 53.437 52.037 0.118 0.000 0.676 762 A CB -1.008 18.015 19.000 0.039 0.000 0.818 762 A HN 0.638 nan 8.150 nan 0.000 0.453 763 A N -0.591 122.271 122.820 0.070 0.000 1.873 763 A HA -0.194 4.126 4.320 -0.001 0.000 0.218 763 A C 2.086 179.639 177.584 -0.052 0.000 1.193 763 A CA 1.858 53.851 52.037 -0.074 0.000 0.629 763 A CB -0.921 17.923 19.000 -0.259 0.000 0.826 763 A HN 0.606 nan 8.150 nan 0.000 0.447 764 Y N -0.540 119.865 120.300 0.174 0.000 2.220 764 Y HA 0.039 4.588 4.550 -0.001 0.000 0.291 764 Y C 2.949 178.994 175.900 0.242 0.000 1.129 764 Y CA 0.796 59.057 58.100 0.267 0.000 1.161 764 Y CB -0.422 38.254 38.460 0.361 0.000 0.997 764 Y HN 0.341 nan 8.280 nan 0.000 0.522 765 A N 0.181 123.169 122.820 0.280 0.000 1.903 765 A HA -0.265 4.055 4.320 -0.001 0.000 0.219 765 A C 2.159 179.827 177.584 0.140 0.000 1.191 765 A CA 1.989 54.078 52.037 0.087 0.000 0.638 765 A CB -1.160 17.763 19.000 -0.129 0.000 0.823 765 A HN 0.443 nan 8.150 nan 0.000 0.451 766 L N -0.229 121.169 121.223 0.292 0.000 2.012 766 L HA -0.131 4.208 4.340 -0.001 0.000 0.210 766 L C 2.434 179.462 176.870 0.264 0.000 1.073 766 L CA 2.013 57.087 54.840 0.390 0.000 0.748 766 L CB -0.563 41.621 42.059 0.209 0.000 0.891 766 L HN 0.163 nan 8.230 nan 0.000 0.431 767 V N -1.262 118.750 119.914 0.164 0.000 2.515 767 V HA -0.238 3.882 4.120 -0.001 0.000 0.250 767 V C 2.560 178.755 176.094 0.169 0.000 1.058 767 V CA 1.738 64.090 62.300 0.087 0.000 1.064 767 V CB -0.329 31.457 31.823 -0.061 0.000 0.675 767 V HN 0.487 nan 8.190 nan 0.000 0.461 768 S N -1.456 114.418 115.700 0.290 0.000 2.383 768 S HA -0.181 4.288 4.470 -0.001 0.000 0.227 768 S C 1.809 176.507 174.600 0.163 0.000 1.026 768 S CA 1.447 59.810 58.200 0.272 0.000 0.981 768 S CB -0.332 63.011 63.200 0.238 0.000 0.818 768 S HN 0.733 nan 8.310 nan 0.000 0.472 769 Y N 2.140 122.488 120.300 0.081 0.000 2.314 769 Y HA -0.072 4.478 4.550 -0.001 0.000 0.293 769 Y C 2.255 178.196 175.900 0.069 0.000 1.129 769 Y CA 1.325 59.466 58.100 0.068 0.000 1.201 769 Y CB -0.245 38.349 38.460 0.224 0.000 0.999 769 Y HN 0.251 nan 8.280 nan 0.000 0.541 770 Q N -1.172 118.698 119.800 0.117 0.000 2.079 770 Q HA -0.177 4.162 4.340 -0.001 0.000 0.200 770 Q C 2.345 178.321 176.000 -0.040 0.000 0.974 770 Q CA 1.938 57.753 55.803 0.020 0.000 0.840 770 Q CB -0.407 28.347 28.738 0.026 0.000 0.898 770 Q HN 0.349 nan 8.270 nan 0.000 0.430 771 T N 0.780 115.304 114.554 -0.050 0.000 2.720 771 T HA -0.153 4.197 4.350 -0.001 0.000 0.268 771 T C 1.713 176.156 174.700 -0.428 0.000 1.037 771 T CA 1.087 63.084 62.100 -0.172 0.000 1.144 771 T CB -0.207 68.716 68.868 0.091 0.000 0.864 771 T HN 0.186 nan 8.240 nan 0.000 0.444 772 L N -0.377 120.683 121.223 -0.270 0.000 1.994 772 L HA 0.030 4.369 4.340 -0.001 0.000 0.208 772 L C 2.110 178.782 176.870 -0.330 0.000 1.071 772 L CA 2.091 56.745 54.840 -0.310 0.000 0.745 772 L CB -0.833 41.029 42.059 -0.327 0.000 0.892 772 L HN 0.522 nan 8.230 nan 0.000 0.431 773 W N -0.180 120.779 121.300 -0.568 0.000 2.311 773 W HA -0.316 4.343 4.660 -0.001 0.000 0.326 773 W C 2.361 178.736 176.519 -0.240 0.000 1.239 773 W CA 2.044 59.130 57.345 -0.431 0.000 1.258 773 W CB -0.552 28.632 29.460 -0.460 0.000 1.165 773 W HN 0.159 nan 8.180 nan 0.000 0.466 774 L N 1.346 122.622 121.223 0.089 0.000 2.034 774 L HA -0.311 4.029 4.340 -0.001 0.000 0.217 774 L C 2.494 179.227 176.870 -0.227 0.000 1.077 774 L CA 2.535 57.373 54.840 -0.002 0.000 0.769 774 L CB -1.742 40.263 42.059 -0.090 0.000 0.890 774 L HN 0.144 nan 8.230 nan 0.000 0.435 775 K N -1.202 118.870 120.400 -0.545 0.000 2.057 775 K HA -0.145 4.174 4.320 -0.001 0.000 0.207 775 K C 1.993 178.482 176.600 -0.185 0.000 1.049 775 K CA 1.301 57.398 56.287 -0.315 0.000 0.931 775 K CB -0.028 32.269 32.500 -0.339 0.000 0.714 775 K HN 0.307 nan 8.250 nan 0.000 0.440 776 A N 0.353 123.028 122.820 -0.242 0.000 1.897 776 A HA -0.133 4.186 4.320 -0.001 0.000 0.215 776 A C 1.802 179.153 177.584 -0.388 0.000 1.181 776 A CA 1.230 53.114 52.037 -0.255 0.000 0.620 776 A CB -0.545 18.330 19.000 -0.209 0.000 0.821 776 A HN 0.407 nan 8.150 nan 0.000 0.443 777 H N -3.803 114.901 119.070 -0.609 0.000 2.516 777 H HA 0.130 4.686 4.556 -0.001 0.000 0.284 777 H C -0.161 174.629 175.328 -0.897 0.000 0.999 777 H CA 0.793 56.328 56.048 -0.854 0.000 1.303 777 H CB 0.413 29.354 29.762 -1.368 0.000 1.452 777 H HN 0.554 nan 8.280 nan 0.000 0.530 778 Y N 0.826 121.032 120.300 -0.157 0.000 2.473 778 Y HA 0.191 4.741 4.550 -0.001 0.000 0.345 778 Y C -1.782 174.142 175.900 0.039 0.000 0.932 778 Y CA -1.892 56.187 58.100 -0.035 0.000 1.124 778 Y CB 0.968 39.447 38.460 0.032 0.000 1.162 778 Y HN 0.125 nan 8.280 nan 0.000 0.629 779 P HA -0.270 nan 4.420 nan 0.000 0.215 779 P C 1.527 178.912 177.300 0.141 0.000 1.157 779 P CA 2.109 65.272 63.100 0.106 0.000 0.874 779 P CB 0.374 32.077 31.700 0.006 0.000 0.790 780 A N 0.044 122.926 122.820 0.104 0.000 1.902 780 A HA -0.208 4.111 4.320 -0.001 0.000 0.217 780 A C 2.208 179.858 177.584 0.111 0.000 1.181 780 A CA 1.977 54.066 52.037 0.087 0.000 0.623 780 A CB -1.198 17.844 19.000 0.071 0.000 0.818 780 A HN 0.132 nan 8.150 nan 0.000 0.443 781 E N -1.128 119.178 120.200 0.175 0.000 2.051 781 E HA 0.120 4.469 4.350 -0.001 0.000 0.189 781 E C 0.868 177.575 176.600 0.179 0.000 0.979 781 E CA 0.309 56.813 56.400 0.173 0.000 0.803 781 E CB -0.237 29.581 29.700 0.195 0.000 0.761 781 E HN 0.628 nan 8.360 nan 0.000 0.451 785 A N 0.519 123.229 122.820 -0.184 0.000 1.898 785 A HA 0.376 4.695 4.320 -0.001 0.000 0.216 785 A C 1.376 178.852 177.584 -0.180 0.000 1.181 785 A CA 1.645 53.623 52.037 -0.099 0.000 0.620 785 A CB -0.945 18.102 19.000 0.079 0.000 0.819 785 A HN 0.832 nan 8.150 nan 0.000 0.442 789 A N 1.208 123.989 122.820 -0.065 0.000 2.015 789 A HA 0.204 4.523 4.320 -0.001 0.000 0.219 789 A C 0.751 178.331 177.584 -0.007 0.000 1.163 789 A CA 1.322 53.413 52.037 0.090 0.000 0.646 789 A CB -0.329 18.741 19.000 0.116 0.000 0.806 789 A HN 0.488 nan 8.150 nan 0.000 0.448 793 N N 0.277 118.992 118.700 0.024 0.000 2.469 793 N HA 0.220 4.959 4.740 -0.001 0.000 0.239 793 N C 0.444 175.969 175.510 0.025 0.000 1.053 793 N CA 0.413 53.476 53.050 0.022 0.000 0.937 793 N CB 0.904 39.399 38.487 0.012 0.000 1.163 793 N HN 0.120 nan 8.380 nan 0.000 0.509 794 T N 2.191 116.767 114.554 0.037 0.000 2.759 794 T HA -0.174 4.175 4.350 -0.001 0.000 0.269 794 T C 1.209 175.933 174.700 0.041 0.000 1.042 794 T CA 1.323 63.454 62.100 0.051 0.000 1.140 794 T CB -0.075 68.824 68.868 0.052 0.000 0.864 794 T HN 0.621 nan 8.240 nan 0.000 0.455 795 E N 0.891 121.106 120.200 0.025 0.000 2.107 795 E HA -0.045 4.305 4.350 -0.001 0.000 0.191 795 E C 2.314 178.919 176.600 0.009 0.000 0.982 795 E CA 0.801 57.211 56.400 0.018 0.000 0.809 795 E CB -0.037 29.671 29.700 0.013 0.000 0.756 795 E HN 0.436 nan 8.360 nan 0.000 0.459 796 K N 0.395 120.795 120.400 -0.000 0.000 2.148 796 K HA -0.067 4.252 4.320 -0.001 0.000 0.204 796 K C 2.097 178.675 176.600 -0.037 0.000 1.050 796 K CA 0.682 56.959 56.287 -0.018 0.000 0.942 796 K CB 0.083 32.568 32.500 -0.024 0.000 0.724 796 K HN -0.038 nan 8.250 nan 0.000 0.446 797 V N 0.883 120.780 119.914 -0.028 0.000 2.343 797 V HA -0.218 3.902 4.120 -0.001 0.000 0.247 797 V C 2.165 178.257 176.094 -0.002 0.000 1.051 797 V CA 1.493 63.766 62.300 -0.045 0.000 1.036 797 V CB -0.226 31.605 31.823 0.014 0.000 0.654 797 V HN 0.078 nan 8.190 nan 0.000 0.451 798 V N 0.869 120.804 119.914 0.035 0.000 2.427 798 V HA -0.149 3.971 4.120 -0.001 0.000 0.248 798 V C 2.626 178.732 176.094 0.020 0.000 1.051 798 V CA 1.995 64.322 62.300 0.046 0.000 1.048 798 V CB -1.387 30.461 31.823 0.042 0.000 0.666 798 V HN 0.610 nan 8.190 nan 0.000 0.456 799 G N -0.301 108.502 108.800 0.005 0.000 2.422 799 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.218 799 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.218 799 G C 1.596 176.495 174.900 -0.003 0.000 1.146 799 G CA 0.821 45.922 45.100 0.002 0.000 0.769 799 G HN 0.464 nan 8.290 nan 0.000 0.547 800 L N 0.476 121.679 121.223 -0.032 0.000 2.109 800 L HA -0.029 4.311 4.340 -0.001 0.000 0.207 800 L C 3.082 179.934 176.870 -0.028 0.000 1.086 800 L CA 0.972 55.776 54.840 -0.061 0.000 0.760 800 L CB -0.375 41.593 42.059 -0.151 0.000 0.910 800 L HN 0.251 nan 8.230 nan 0.000 0.437 801 V N -1.623 118.291 119.914 -0.001 0.000 2.343 801 V HA -0.284 3.836 4.120 -0.001 0.000 0.247 801 V C 2.081 178.240 176.094 0.108 0.000 1.051 801 V CA 2.379 64.716 62.300 0.061 0.000 1.036 801 V CB -0.467 31.427 31.823 0.117 0.000 0.654 801 V HN 0.434 nan 8.190 nan 0.000 0.451 802 D N 0.177 120.626 120.400 0.083 0.000 2.106 802 D HA -0.223 4.417 4.640 -0.001 0.000 0.191 802 D C 2.199 178.605 176.300 0.176 0.000 0.997 802 D CA 1.877 55.949 54.000 0.119 0.000 0.834 802 D CB -0.302 40.535 40.800 0.062 0.000 0.956 802 D HN 0.536 nan 8.370 nan 0.000 0.448 803 E N -0.232 120.027 120.200 0.099 0.000 2.097 803 E HA -0.174 4.175 4.350 -0.001 0.000 0.196 803 E C 2.491 179.143 176.600 0.088 0.000 1.000 803 E CA 0.765 57.212 56.400 0.079 0.000 0.804 803 E CB -0.782 28.939 29.700 0.035 0.000 0.740 803 E HN 0.420 nan 8.360 nan 0.000 0.454 804 C N -0.544 118.811 119.300 0.091 0.000 2.429 804 C HA -0.145 4.315 4.460 -0.001 0.000 0.277 804 C C 2.386 177.453 174.990 0.129 0.000 1.262 804 C CA 0.532 59.602 59.018 0.086 0.000 1.733 804 C CB -1.317 26.470 27.740 0.078 0.000 2.010 804 C HN 0.618 nan 8.230 nan 0.000 0.483 805 W N 1.652 122.953 121.300 0.002 0.000 2.518 805 W HA 0.093 4.753 4.660 -0.001 0.000 0.273 805 W C 1.605 178.123 176.519 -0.000 0.000 1.247 805 W CA 0.448 57.795 57.345 0.005 0.000 1.288 805 W CB -0.035 29.431 29.460 0.011 0.000 1.107 805 W HN 0.180 nan 8.180 nan 0.000 0.586 809 L N 1.320 122.491 121.223 -0.088 0.000 2.325 809 L HA 0.617 4.957 4.340 -0.001 0.000 0.278 809 L C 0.045 176.935 176.870 0.033 0.000 1.023 809 L CA -1.080 53.747 54.840 -0.022 0.000 0.811 809 L CB 1.324 43.386 42.059 0.005 0.000 1.249 809 L HN -0.108 nan 8.230 nan 0.000 0.431 810 K N 4.029 124.452 120.400 0.038 0.000 2.412 810 K HA 0.256 4.576 4.320 -0.001 0.000 0.281 810 K C -0.671 175.987 176.600 0.097 0.000 1.027 810 K CA -0.063 56.271 56.287 0.079 0.000 0.989 810 K CB 0.795 33.327 32.500 0.054 0.000 0.935 810 K HN 0.492 nan 8.250 nan 0.000 0.475 811 I N 4.011 124.665 120.570 0.140 0.000 2.447 811 I HA 0.231 4.400 4.170 -0.001 0.000 0.287 811 I C -1.210 175.000 176.117 0.155 0.000 1.023 811 I CA -0.623 60.768 61.300 0.152 0.000 1.083 811 I CB 0.939 39.045 38.000 0.177 0.000 1.245 811 I HN 0.411 nan 8.210 nan 0.000 0.434 812 L N 9.681 130.990 121.223 0.143 0.000 2.275 812 L HA 0.581 4.920 4.340 -0.001 0.000 0.288 812 L C -2.049 174.903 176.870 0.136 0.000 1.046 812 L CA -1.776 53.125 54.840 0.102 0.000 0.805 812 L CB 1.039 43.129 42.059 0.051 0.000 1.193 812 L HN 0.431 nan 8.230 nan 0.000 0.426 813 P HA 0.180 nan 4.420 nan 0.000 0.274 813 P C -2.608 174.541 177.300 -0.253 0.000 1.260 813 P CA -1.489 61.494 63.100 -0.196 0.000 0.793 813 P CB -0.550 31.040 31.700 -0.184 0.000 1.048 814 P HA 0.085 nan 4.420 nan 0.000 0.262 814 P C -0.690 176.487 177.300 -0.206 0.000 1.182 814 P CA 0.950 63.856 63.100 -0.324 0.000 0.761 814 P CB -0.079 31.392 31.700 -0.383 0.000 0.795 815 D N 2.064 122.373 120.400 -0.152 0.000 2.896 815 D HA 0.219 4.859 4.640 -0.001 0.000 0.241 815 D C 0.576 176.785 176.300 -0.151 0.000 1.188 815 D CA -0.561 53.352 54.000 -0.146 0.000 0.879 815 D CB 0.967 41.728 40.800 -0.065 0.000 1.553 815 D HN 0.135 nan 8.370 nan 0.000 0.515 816 I N 3.212 123.626 120.570 -0.260 0.000 2.493 816 I HA -0.123 4.047 4.170 -0.001 0.000 0.254 816 I C 1.066 177.224 176.117 0.069 0.000 1.160 816 I CA 0.900 62.069 61.300 -0.219 0.000 1.445 816 I CB 0.084 37.749 38.000 -0.558 0.000 1.086 816 I HN 0.412 nan 8.210 nan 0.000 0.433 817 N N -0.220 118.545 118.700 0.109 0.000 2.376 817 N HA -0.067 4.673 4.740 -0.001 0.000 0.177 817 N C 1.860 177.432 175.510 0.104 0.000 1.024 817 N CA 1.426 54.583 53.050 0.178 0.000 0.893 817 N CB 0.044 38.622 38.487 0.152 0.000 0.980 817 N HN 0.471 nan 8.380 nan 0.000 0.439 818 S N -1.005 114.739 115.700 0.073 0.000 2.591 818 S HA 0.237 4.707 4.470 -0.001 0.000 0.235 818 S C 1.335 176.008 174.600 0.122 0.000 1.074 818 S CA -0.074 58.178 58.200 0.087 0.000 0.925 818 S CB -0.682 62.557 63.200 0.065 0.000 0.818 818 S HN 0.166 nan 8.310 nan 0.000 0.535 819 G N 2.158 111.002 108.800 0.074 0.000 2.562 819 G HA2 0.426 4.386 3.960 -0.001 0.000 0.233 819 G HA3 0.426 4.386 3.960 -0.001 0.000 0.233 819 G C -0.592 174.359 174.900 0.084 0.000 1.266 819 G CA 0.005 45.149 45.100 0.073 0.000 0.852 819 G HN 0.304 nan 8.290 nan 0.000 0.581 820 L N -0.280 120.995 121.223 0.088 0.000 2.242 820 L HA 0.421 4.761 4.340 -0.001 0.000 0.261 820 L C 1.267 178.178 176.870 0.068 0.000 1.052 820 L CA -0.759 54.109 54.840 0.048 0.000 0.972 820 L CB 0.661 42.700 42.059 -0.034 0.000 1.562 820 L HN 0.554 nan 8.230 nan 0.000 0.509 821 Y N -0.697 119.576 120.300 -0.045 0.000 2.243 821 Y HA -0.121 4.428 4.550 -0.001 0.000 0.293 821 Y C 2.253 178.182 175.900 0.048 0.000 1.124 821 Y CA 1.940 60.034 58.100 -0.010 0.000 1.159 821 Y CB -0.017 38.434 38.460 -0.016 0.000 1.008 821 Y HN 0.621 nan 8.280 nan 0.000 0.527 822 H N -1.304 117.604 119.070 -0.271 0.000 2.520 822 H HA 0.194 4.749 4.556 -0.001 0.000 0.279 822 H C -0.592 174.650 175.328 -0.144 0.000 0.990 822 H CA 0.441 56.245 56.048 -0.406 0.000 1.288 822 H CB -0.083 29.452 29.762 -0.378 0.000 1.446 822 H HN 0.190 nan 8.280 nan 0.000 0.538 823 F N 0.717 120.618 119.950 -0.082 0.000 2.157 823 F HA -0.208 4.318 4.527 -0.001 0.000 0.523 823 F C 0.258 176.074 175.800 0.027 0.000 1.292 823 F CA 0.304 58.243 58.000 -0.100 0.000 1.678 823 F CB -0.530 38.313 39.000 -0.261 0.000 2.692 823 F HN 0.414 nan 8.300 nan 0.000 0.722 824 H N 1.464 120.592 119.070 0.097 0.000 3.393 824 H HA 0.852 5.408 4.556 -0.001 0.000 0.302 824 H C -1.677 173.699 175.328 0.080 0.000 1.650 824 H CA -0.490 55.600 56.048 0.071 0.000 1.208 824 H CB 1.469 31.254 29.762 0.039 0.000 1.770 824 H HN 0.586 nan 8.280 nan 0.000 0.662 825 V N 2.101 122.026 119.914 0.019 0.000 2.487 825 V HA 0.285 4.404 4.120 -0.001 0.000 0.298 825 V C -0.269 175.824 176.094 -0.001 0.000 1.028 825 V CA -0.729 61.564 62.300 -0.012 0.000 0.860 825 V CB 1.154 33.028 31.823 0.085 0.000 0.991 825 V HN 0.733 nan 8.190 nan 0.000 0.427 826 N N 3.840 122.502 118.700 -0.064 0.000 2.237 826 N HA -0.009 4.731 4.740 -0.001 0.000 0.222 826 N C 0.573 176.113 175.510 0.050 0.000 1.311 826 N CA 0.670 53.719 53.050 -0.001 0.000 0.880 826 N CB 0.668 39.150 38.487 -0.008 0.000 1.106 826 N HN 0.757 nan 8.380 nan 0.000 0.435 827 D N -0.159 120.274 120.400 0.055 0.000 2.312 827 D HA -0.059 4.581 4.640 -0.001 0.000 0.211 827 D C 0.027 176.350 176.300 0.039 0.000 0.964 827 D CA 1.024 55.055 54.000 0.052 0.000 0.877 827 D CB 0.086 40.915 40.800 0.047 0.000 0.924 827 D HN 0.472 nan 8.370 nan 0.000 0.515 828 D N -1.144 119.274 120.400 0.031 0.000 2.368 828 D HA 0.257 4.896 4.640 -0.001 0.000 0.218 828 D C 1.152 177.464 176.300 0.020 0.000 1.112 828 D CA 0.128 54.141 54.000 0.023 0.000 0.834 828 D CB 0.448 41.259 40.800 0.019 0.000 0.953 828 D HN 0.098 nan 8.370 nan 0.000 0.505 829 G N 1.079 109.895 108.800 0.028 0.000 2.198 829 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.260 829 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.260 829 G C -0.100 174.812 174.900 0.020 0.000 1.025 829 G CA -0.104 45.013 45.100 0.029 0.000 0.769 829 G HN 0.377 nan 8.290 nan 0.000 0.507 830 E N -0.579 119.627 120.200 0.010 0.000 2.175 830 E HA 0.520 4.870 4.350 -0.001 0.000 0.278 830 E C 0.603 177.196 176.600 -0.013 0.000 0.969 830 E CA -0.963 55.443 56.400 0.009 0.000 0.796 830 E CB 1.413 31.121 29.700 0.014 0.000 1.104 830 E HN 0.365 nan 8.360 nan 0.000 0.395 831 I N 2.896 123.474 120.570 0.013 0.000 2.587 831 I HA -0.031 4.138 4.170 -0.001 0.000 0.284 831 I C -0.238 175.872 176.117 -0.011 0.000 1.134 831 I CA -0.141 61.166 61.300 0.011 0.000 1.410 831 I CB 0.282 38.323 38.000 0.069 0.000 1.392 831 I HN 0.184 nan 8.210 nan 0.000 0.545 832 V N 7.778 127.596 119.914 -0.159 0.000 2.383 832 V HA 0.112 4.232 4.120 -0.001 0.000 0.275 832 V C 0.007 176.005 176.094 -0.160 0.000 1.036 832 V CA -0.630 61.553 62.300 -0.195 0.000 0.889 832 V CB 0.615 32.154 31.823 -0.473 0.000 0.985 832 V HN 0.414 nan 8.190 nan 0.000 0.459 833 Y N 3.062 123.205 120.300 -0.261 0.000 2.805 833 Y HA 0.295 4.844 4.550 -0.001 0.000 0.337 833 Y C 1.146 176.519 175.900 -0.880 0.000 1.252 833 Y CA 1.117 58.858 58.100 -0.598 0.000 1.515 833 Y CB 0.706 38.971 38.460 -0.325 0.000 1.305 833 Y HN 0.725 nan 8.280 nan 0.000 0.600 834 G N 5.779 113.487 108.800 -1.820 0.000 2.319 834 G HA2 0.341 4.301 3.960 -0.001 0.000 0.308 834 G HA3 0.341 4.301 3.960 -0.001 0.000 0.308 834 G C 0.469 175.130 174.900 -0.398 0.000 1.117 834 G CA -0.534 43.990 45.100 -0.960 0.000 0.903 834 G HN 0.892 nan 8.290 nan 0.000 0.436 835 I N 2.565 123.058 120.570 -0.128 0.000 2.454 835 I HA -0.119 4.051 4.170 -0.001 0.000 0.254 835 I C 2.850 178.999 176.117 0.054 0.000 1.156 835 I CA 1.163 62.462 61.300 -0.001 0.000 1.433 835 I CB 0.019 38.029 38.000 0.016 0.000 1.082 835 I HN 0.589 nan 8.210 nan 0.000 0.432 836 G N 0.937 109.769 108.800 0.053 0.000 2.507 836 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.221 836 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.221 836 G C 1.783 176.714 174.900 0.051 0.000 1.119 836 G CA 0.858 46.009 45.100 0.084 0.000 0.751 836 G HN 0.523 nan 8.290 nan 0.000 0.574 837 A N -0.043 122.794 122.820 0.027 0.000 2.216 837 A HA 0.266 4.585 4.320 -0.001 0.000 0.214 837 A C 1.174 178.852 177.584 0.156 0.000 1.160 837 A CA 0.149 52.258 52.037 0.121 0.000 0.725 837 A CB -0.236 18.878 19.000 0.190 0.000 0.784 837 A HN 0.376 nan 8.150 nan 0.000 0.472 838 I N 1.030 121.672 120.570 0.120 0.000 2.278 838 I HA 0.053 4.223 4.170 -0.001 0.000 0.296 838 I C 0.512 176.673 176.117 0.072 0.000 1.121 838 I CA -0.361 60.989 61.300 0.083 0.000 1.267 838 I CB 0.302 38.327 38.000 0.041 0.000 1.447 838 I HN 0.166 nan 8.210 nan 0.000 0.509 839 K N 5.465 125.907 120.400 0.070 0.000 2.476 839 K HA -0.077 4.242 4.320 -0.001 0.000 0.273 839 K C 1.193 177.823 176.600 0.049 0.000 1.056 839 K CA 1.376 57.698 56.287 0.059 0.000 1.150 839 K CB 0.042 32.572 32.500 0.050 0.000 0.838 839 K HN 0.940 nan 8.250 nan 0.000 0.486 840 G N 1.749 110.579 108.800 0.051 0.000 2.259 840 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.217 840 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.217 840 G C 0.587 175.510 174.900 0.039 0.000 1.001 840 G CA 0.226 45.350 45.100 0.039 0.000 0.627 840 G HN 0.722 nan 8.290 nan 0.000 0.501 841 V N -0.782 119.161 119.914 0.049 0.000 2.261 841 V HA 0.610 4.730 4.120 -0.001 0.000 0.235 841 V C 1.981 178.105 176.094 0.050 0.000 1.044 841 V CA 1.875 64.202 62.300 0.046 0.000 1.007 841 V CB -1.003 30.848 31.823 0.048 0.000 0.647 841 V HN 2.463 nan 8.190 nan 0.000 0.462 842 G N -0.749 108.103 108.800 0.087 0.000 2.699 842 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.686 842 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.686 842 G C 0.146 175.040 174.900 -0.011 0.000 1.301 842 G CA 0.320 45.466 45.100 0.076 0.000 0.816 842 G HN 0.738 nan 8.290 nan 0.000 0.595 843 E N -0.016 120.107 120.200 -0.128 0.000 2.058 843 E HA -0.123 4.226 4.350 -0.001 0.000 0.194 843 E C 2.658 179.116 176.600 -0.236 0.000 0.997 843 E CA 2.101 58.259 56.400 -0.403 0.000 0.801 843 E CB -0.549 28.852 29.700 -0.498 0.000 0.746 843 E HN 0.870 nan 8.360 nan 0.000 0.450 844 G N 1.301 110.023 108.800 -0.129 0.000 2.587 844 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.217 844 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.217 844 G C -0.852 174.008 174.900 -0.067 0.000 1.240 844 G CA 1.176 46.225 45.100 -0.085 0.000 0.794 844 G HN 0.304 nan 8.290 nan 0.000 0.580 845 P HA -0.090 nan 4.420 nan 0.000 0.216 845 P C 1.943 179.227 177.300 -0.027 0.000 1.153 845 P CA 0.897 63.980 63.100 -0.028 0.000 0.858 845 P CB -0.079 31.612 31.700 -0.014 0.000 0.789 846 I N -0.777 119.775 120.570 -0.031 0.000 2.076 846 I HA -0.268 3.902 4.170 -0.001 0.000 0.237 846 I C 2.517 178.612 176.117 -0.036 0.000 1.059 846 I CA 1.558 62.849 61.300 -0.015 0.000 1.317 846 I CB -0.735 37.279 38.000 0.023 0.000 1.037 846 I HN -0.053 nan 8.210 nan 0.000 0.398 847 E N 1.035 121.182 120.200 -0.089 0.000 2.095 847 E HA -0.351 3.999 4.350 -0.001 0.000 0.212 847 E C 2.192 178.766 176.600 -0.044 0.000 1.044 847 E CA 2.150 58.500 56.400 -0.084 0.000 0.857 847 E CB -0.450 29.183 29.700 -0.111 0.000 0.764 847 E HN 0.514 nan 8.360 nan 0.000 0.462 848 A N 0.772 123.569 122.820 -0.037 0.000 1.892 848 A HA -0.224 4.095 4.320 -0.001 0.000 0.218 848 A C 2.525 180.109 177.584 -0.000 0.000 1.188 848 A CA 2.052 54.076 52.037 -0.021 0.000 0.631 848 A CB -0.883 18.104 19.000 -0.022 0.000 0.822 848 A HN 0.339 nan 8.150 nan 0.000 0.447 849 I N -0.396 120.183 120.570 0.015 0.000 2.163 849 I HA -0.297 3.873 4.170 -0.001 0.000 0.243 849 I C 2.366 178.541 176.117 0.097 0.000 1.085 849 I CA 1.560 62.902 61.300 0.071 0.000 1.347 849 I CB -0.410 37.624 38.000 0.056 0.000 1.044 849 I HN 0.341 nan 8.210 nan 0.000 0.408 850 I N 0.511 121.109 120.570 0.047 0.000 2.099 850 I HA -0.318 3.851 4.170 -0.001 0.000 0.239 850 I C 2.482 178.601 176.117 0.003 0.000 1.066 850 I CA 1.659 62.975 61.300 0.027 0.000 1.324 850 I CB -0.526 37.473 38.000 -0.002 0.000 1.037 850 I HN 0.234 nan 8.210 nan 0.000 0.401 851 E N 0.519 120.714 120.200 -0.008 0.000 2.219 851 E HA -0.246 4.103 4.350 -0.001 0.000 0.198 851 E C 2.161 178.750 176.600 -0.019 0.000 0.998 851 E CA 1.199 57.590 56.400 -0.015 0.000 0.818 851 E CB -0.094 29.596 29.700 -0.018 0.000 0.741 851 E HN 0.563 nan 8.360 nan 0.000 0.477 852 A N 0.770 123.572 122.820 -0.030 0.000 1.935 852 A HA -0.065 4.254 4.320 -0.001 0.000 0.214 852 A C 2.011 179.477 177.584 -0.197 0.000 1.178 852 A CA 0.747 52.720 52.037 -0.107 0.000 0.640 852 A CB -0.157 18.776 19.000 -0.111 0.000 0.825 852 A HN 0.041 nan 8.150 nan 0.000 0.447 853 R N 0.348 120.753 120.500 -0.159 0.000 2.092 853 R HA -0.034 4.306 4.340 -0.001 0.000 0.231 853 R C 1.052 177.317 176.300 -0.058 0.000 1.119 853 R CA 1.550 57.511 56.100 -0.232 0.000 0.970 853 R CB -0.349 29.866 30.300 -0.143 0.000 0.864 853 R HN 0.638 nan 8.270 nan 0.000 0.440 854 N N 0.031 118.715 118.700 -0.027 0.000 2.501 854 N HA -0.074 4.666 4.740 -0.001 0.000 0.195 854 N C 0.966 176.486 175.510 0.016 0.000 1.213 854 N CA 0.225 53.270 53.050 -0.008 0.000 0.864 854 N CB 0.283 38.761 38.487 -0.014 0.000 0.999 854 N HN 0.170 nan 8.380 nan 0.000 0.454 855 K N -0.564 119.872 120.400 0.060 0.000 2.436 855 K HA 0.152 4.472 4.320 -0.001 0.000 0.198 855 K C 0.825 177.499 176.600 0.123 0.000 1.174 855 K CA 0.084 56.427 56.287 0.094 0.000 0.951 855 K CB 0.925 33.488 32.500 0.105 0.000 1.040 855 K HN 0.075 nan 8.250 nan 0.000 0.536 856 G N -0.472 108.440 108.800 0.186 0.000 5.482 856 G HA2 0.381 4.340 3.960 -0.001 0.000 0.208 856 G HA3 0.381 4.340 3.960 -0.001 0.000 0.208 856 G C 0.464 175.193 174.900 -0.284 0.000 0.756 856 G CA 0.049 45.066 45.100 -0.139 0.000 0.682 856 G HN 0.391 nan 8.290 nan 0.000 0.405 857 G N 0.663 109.406 108.800 -0.094 0.000 3.879 857 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.318 857 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.318 857 G C 0.312 175.132 174.900 -0.133 0.000 1.344 857 G CA 0.625 45.656 45.100 -0.114 0.000 1.024 857 G HN 1.683 nan 8.290 nan 0.000 0.681 858 Y N -1.887 118.239 120.300 -0.290 0.000 2.744 858 Y HA 0.122 4.671 4.550 -0.001 0.000 0.023 858 Y C -0.148 175.495 175.900 -0.428 0.000 2.040 858 Y CA 0.376 58.170 58.100 -0.510 0.000 1.260 858 Y CB -0.891 36.953 38.460 -1.026 0.000 1.936 858 Y HN 1.188 nan 8.280 nan 0.000 0.277 859 F N 4.113 124.218 119.950 0.257 0.000 3.733 859 F HA -0.007 4.520 4.527 -0.001 0.000 0.468 859 F C 0.658 176.573 175.800 0.191 0.000 0.770 859 F CA -1.003 57.158 58.000 0.269 0.000 1.660 859 F CB -0.219 38.909 39.000 0.214 0.000 2.545 859 F HN 0.393 nan 8.300 nan 0.000 0.782 860 R N 0.765 121.473 120.500 0.346 0.000 2.113 860 R HA -0.059 4.281 4.340 -0.001 0.000 0.231 860 R C 0.971 177.388 176.300 0.196 0.000 1.129 860 R CA 1.980 58.202 56.100 0.203 0.000 0.915 860 R CB 0.002 30.386 30.300 0.140 0.000 0.837 860 R HN 0.581 nan 8.270 nan 0.000 0.430 861 E N -1.853 118.464 120.200 0.195 0.000 2.475 861 E HA 0.147 4.497 4.350 -0.001 0.000 0.221 861 E C 0.837 177.520 176.600 0.137 0.000 0.793 861 E CA -0.657 55.837 56.400 0.156 0.000 0.922 861 E CB 0.690 30.441 29.700 0.085 0.000 1.778 861 E HN -0.004 nan 8.360 nan 0.000 0.392 862 L N 0.591 121.824 121.223 0.016 0.000 2.046 862 L HA -0.134 4.206 4.340 -0.001 0.000 0.208 862 L C 2.181 179.033 176.870 -0.030 0.000 1.077 862 L CA 1.531 56.232 54.840 -0.231 0.000 0.747 862 L CB -0.212 41.645 42.059 -0.338 0.000 0.896 862 L HN 0.516 nan 8.230 nan 0.000 0.432 863 F N 0.729 120.617 119.950 -0.104 0.000 2.102 863 F HA -0.257 4.269 4.527 -0.001 0.000 0.298 863 F C 2.350 178.160 175.800 0.016 0.000 1.105 863 F CA 1.750 59.722 58.000 -0.047 0.000 1.239 863 F CB -0.903 38.083 39.000 -0.024 0.000 0.991 863 F HN 0.224 nan 8.300 nan 0.000 0.474 864 D N 0.168 120.737 120.400 0.282 0.000 2.133 864 D HA -0.202 4.438 4.640 -0.001 0.000 0.195 864 D C 2.383 178.872 176.300 0.315 0.000 0.997 864 D CA 1.059 55.244 54.000 0.308 0.000 0.840 864 D CB -0.172 40.843 40.800 0.359 0.000 0.947 864 D HN 0.217 nan 8.370 nan 0.000 0.452 865 L N -0.047 121.285 121.223 0.181 0.000 1.932 865 L HA -0.242 4.098 4.340 -0.001 0.000 0.217 865 L C 2.342 179.204 176.870 -0.013 0.000 1.077 865 L CA 1.808 56.636 54.840 -0.020 0.000 0.765 865 L CB -0.614 41.264 42.059 -0.302 0.000 0.888 865 L HN 0.306 nan 8.230 nan 0.000 0.433 866 C N 0.119 119.377 119.300 -0.071 0.000 2.396 866 C HA -0.220 4.240 4.460 -0.001 0.000 0.277 866 C C 3.022 177.990 174.990 -0.036 0.000 1.231 866 C CA 0.699 59.665 59.018 -0.088 0.000 1.775 866 C CB -1.595 26.043 27.740 -0.169 0.000 2.036 866 C HN 0.727 nan 8.230 nan 0.000 0.484 867 A N -0.092 122.737 122.820 0.015 0.000 1.898 867 A HA -0.157 4.163 4.320 -0.001 0.000 0.216 867 A C 2.394 180.017 177.584 0.065 0.000 1.181 867 A CA 1.489 53.557 52.037 0.052 0.000 0.620 867 A CB -0.478 18.587 19.000 0.109 0.000 0.819 867 A HN 0.528 nan 8.150 nan 0.000 0.442 868 R N -0.194 120.355 120.500 0.082 0.000 2.052 868 R HA -0.016 4.324 4.340 -0.001 0.000 0.226 868 R C 0.574 176.870 176.300 -0.007 0.000 1.145 868 R CA 1.158 57.286 56.100 0.046 0.000 0.952 868 R CB -1.205 29.058 30.300 -0.062 0.000 0.847 868 R HN 0.390 nan 8.270 nan 0.000 0.431 869 T N 2.088 116.627 114.554 -0.024 0.000 2.905 869 T HA -0.082 4.267 4.350 -0.001 0.000 0.299 869 T C -0.842 173.845 174.700 -0.022 0.000 1.024 869 T CA 0.122 62.205 62.100 -0.029 0.000 1.151 869 T CB 0.020 68.865 68.868 -0.039 0.000 0.987 869 T HN 0.122 nan 8.240 nan 0.000 0.535 870 D N 4.015 124.403 120.400 -0.019 0.000 2.382 870 D HA 0.168 4.808 4.640 -0.001 0.000 0.259 870 D C 0.461 176.748 176.300 -0.022 0.000 1.224 870 D CA 0.403 54.394 54.000 -0.016 0.000 0.894 870 D CB 0.517 41.309 40.800 -0.012 0.000 1.127 870 D HN 0.363 nan 8.370 nan 0.000 0.487 871 T N 3.255 117.795 114.554 -0.024 0.000 2.926 871 T HA 0.032 4.381 4.350 -0.001 0.000 0.307 871 T C 0.902 175.587 174.700 -0.025 0.000 1.059 871 T CA -0.258 61.823 62.100 -0.031 0.000 1.122 871 T CB 0.548 69.395 68.868 -0.035 0.000 0.972 871 T HN 0.377 nan 8.240 nan 0.000 0.545 872 K N 0.444 120.828 120.400 -0.026 0.000 3.584 872 K HA -0.189 4.130 4.320 -0.001 0.000 0.300 872 K C 1.139 177.728 176.600 -0.018 0.000 1.285 872 K CA 1.847 58.121 56.287 -0.021 0.000 1.008 872 K CB -1.157 31.333 32.500 -0.018 0.000 1.271 872 K HN 0.701 nan 8.250 nan 0.000 0.447 873 K N 0.249 120.638 120.400 -0.019 0.000 2.308 873 K HA 0.163 4.483 4.320 -0.001 0.000 0.197 873 K C 0.578 177.165 176.600 -0.021 0.000 1.049 873 K CA 0.105 56.381 56.287 -0.019 0.000 0.991 873 K CB 0.425 32.914 32.500 -0.018 0.000 0.836 873 K HN -0.007 nan 8.250 nan 0.000 0.500 874 L N 3.218 124.426 121.223 -0.024 0.000 2.828 874 L HA 0.206 4.545 4.340 -0.001 0.000 0.233 874 L C -0.506 176.346 176.870 -0.030 0.000 1.250 874 L CA -0.211 54.612 54.840 -0.027 0.000 1.125 874 L CB -0.326 41.712 42.059 -0.034 0.000 1.432 874 L HN 0.289 nan 8.230 nan 0.000 0.444 875 N N 1.610 120.295 118.700 -0.024 0.000 2.151 875 N HA -0.178 4.561 4.740 -0.001 0.000 0.265 875 N C 1.433 176.925 175.510 -0.030 0.000 1.254 875 N CA 0.539 53.574 53.050 -0.024 0.000 0.823 875 N CB 0.780 39.257 38.487 -0.016 0.000 1.061 875 N HN 0.406 nan 8.380 nan 0.000 0.472 876 R N 3.426 123.903 120.500 -0.037 0.000 2.139 876 R HA -0.186 4.153 4.340 -0.001 0.000 0.243 876 R C 1.928 178.209 176.300 -0.032 0.000 1.145 876 R CA 1.452 57.525 56.100 -0.046 0.000 0.976 876 R CB -0.054 30.217 30.300 -0.049 0.000 0.866 876 R HN 0.625 nan 8.270 nan 0.000 0.449 877 R N -0.045 120.442 120.500 -0.021 0.000 2.117 877 R HA -0.133 4.206 4.340 -0.001 0.000 0.243 877 R C 2.011 178.309 176.300 -0.004 0.000 1.143 877 R CA 1.862 57.956 56.100 -0.011 0.000 0.968 877 R CB -0.069 30.227 30.300 -0.007 0.000 0.863 877 R HN 0.155 nan 8.270 nan 0.000 0.444 878 V N 0.736 120.647 119.914 -0.004 0.000 2.591 878 V HA -0.165 3.954 4.120 -0.001 0.000 0.249 878 V C 2.215 178.317 176.094 0.015 0.000 1.053 878 V CA 1.224 63.528 62.300 0.006 0.000 1.068 878 V CB -0.255 31.569 31.823 0.002 0.000 0.689 878 V HN 0.310 nan 8.190 nan 0.000 0.462 879 L N -0.234 120.987 121.223 -0.002 0.000 2.156 879 L HA -0.123 4.217 4.340 -0.001 0.000 0.208 879 L C 2.602 179.476 176.870 0.006 0.000 1.095 879 L CA 1.395 56.234 54.840 -0.001 0.000 0.770 879 L CB -0.461 41.559 42.059 -0.066 0.000 0.914 879 L HN 0.404 nan 8.230 nan 0.000 0.439 880 E N -0.102 120.093 120.200 -0.008 0.000 2.031 880 E HA -0.201 4.148 4.350 -0.001 0.000 0.193 880 E C 2.106 178.721 176.600 0.025 0.000 0.994 880 E CA 0.829 57.228 56.400 -0.002 0.000 0.800 880 E CB -0.027 29.666 29.700 -0.011 0.000 0.752 880 E HN 0.280 nan 8.360 nan 0.000 0.447 881 K N 1.052 121.467 120.400 0.024 0.000 2.020 881 K HA -0.165 4.155 4.320 -0.001 0.000 0.212 881 K C 2.310 178.936 176.600 0.043 0.000 1.050 881 K CA 1.075 57.379 56.287 0.028 0.000 0.929 881 K CB -0.759 31.756 32.500 0.024 0.000 0.714 881 K HN 0.192 nan 8.250 nan 0.000 0.443 882 L N 0.879 122.145 121.223 0.071 0.000 2.012 882 L HA -0.157 4.183 4.340 -0.001 0.000 0.210 882 L C 1.271 178.274 176.870 0.220 0.000 1.073 882 L CA 0.482 55.387 54.840 0.108 0.000 0.748 882 L CB -0.398 41.759 42.059 0.162 0.000 0.891 882 L HN 0.077 nan 8.230 nan 0.000 0.431 886 G N 1.348 110.119 108.800 -0.047 0.000 2.141 886 G HA2 0.162 4.121 3.960 -0.001 0.000 0.164 886 G HA3 0.162 4.121 3.960 -0.001 0.000 0.164 886 G C 0.885 175.728 174.900 -0.096 0.000 1.009 886 G CA 0.546 45.622 45.100 -0.040 0.000 0.677 886 G HN 1.488 nan 8.290 nan 0.000 0.508 887 A N -0.496 122.215 122.820 -0.181 0.000 2.015 887 A HA 0.434 4.753 4.320 -0.001 0.000 0.219 887 A C 1.443 178.682 177.584 -0.575 0.000 1.163 887 A CA 1.804 53.560 52.037 -0.468 0.000 0.646 887 A CB -0.321 18.226 19.000 -0.754 0.000 0.806 887 A HN 0.854 nan 8.150 nan 0.000 0.448 888 F N -0.823 119.110 119.950 -0.029 0.000 2.735 888 F HA 0.239 4.766 4.527 -0.001 0.000 0.304 888 F C 0.668 176.472 175.800 0.006 0.000 1.119 888 F CA -0.491 57.501 58.000 -0.013 0.000 1.280 888 F CB 0.425 39.411 39.000 -0.022 0.000 0.994 888 F HN 0.026 nan 8.300 nan 0.000 0.520 889 D N 0.247 120.722 120.400 0.126 0.000 2.347 889 D HA 0.029 4.668 4.640 -0.001 0.000 0.213 889 D C 1.978 178.335 176.300 0.095 0.000 0.985 889 D CA 0.694 54.768 54.000 0.123 0.000 0.879 889 D CB 0.036 40.899 40.800 0.105 0.000 0.919 889 D HN 0.241 nan 8.370 nan 0.000 0.526 890 R N -0.360 120.181 120.500 0.068 0.000 2.276 890 R HA 0.233 4.572 4.340 -0.001 0.000 0.196 890 R C 0.909 177.245 176.300 0.060 0.000 0.961 890 R CA 0.387 56.521 56.100 0.057 0.000 1.024 890 R CB 0.392 30.716 30.300 0.041 0.000 0.940 890 R HN 0.140 nan 8.270 nan 0.000 0.480 891 L N -0.783 120.489 121.223 0.080 0.000 3.168 891 L HA 0.443 4.782 4.340 -0.001 0.000 0.277 891 L C 0.607 177.516 176.870 0.064 0.000 1.245 891 L CA -0.376 54.517 54.840 0.088 0.000 1.035 891 L CB 1.204 43.348 42.059 0.142 0.000 1.399 891 L HN 0.264 nan 8.230 nan 0.000 0.580 892 G N -0.092 108.720 108.800 0.020 0.000 2.384 892 G HA2 0.006 3.965 3.960 -0.001 0.000 0.150 892 G HA3 0.006 3.965 3.960 -0.001 0.000 0.150 892 G C -2.897 171.935 174.900 -0.113 0.000 1.269 892 G CA -0.732 44.348 45.100 -0.033 0.000 1.094 892 G HN -0.031 nan 8.290 nan 0.000 0.467 893 P HA 0.409 nan 4.420 nan 0.000 0.272 893 P C -0.357 176.853 177.300 -0.150 0.000 1.230 893 P CA -0.289 62.699 63.100 -0.188 0.000 0.788 893 P CB 0.215 31.864 31.700 -0.084 0.000 0.949 894 H N 1.037 120.120 119.070 0.022 0.000 2.597 894 H HA 0.197 4.752 4.556 -0.001 0.000 0.370 894 H C 1.545 176.886 175.328 0.021 0.000 1.281 894 H CA -0.100 55.962 56.048 0.023 0.000 1.422 894 H CB 0.449 30.218 29.762 0.012 0.000 1.524 894 H HN 0.337 nan 8.280 nan 0.000 0.607 895 R N 1.203 121.802 120.500 0.165 0.000 2.168 895 R HA -0.265 4.074 4.340 -0.001 0.000 0.242 895 R C 2.376 178.711 176.300 0.058 0.000 1.123 895 R CA 2.464 58.617 56.100 0.089 0.000 0.928 895 R CB -0.980 29.356 30.300 0.060 0.000 0.873 895 R HN 0.762 nan 8.270 nan 0.000 0.434 896 A N 0.391 123.245 122.820 0.058 0.000 1.884 896 A HA -0.220 4.100 4.320 -0.001 0.000 0.219 896 A C 2.370 179.971 177.584 0.028 0.000 1.197 896 A CA 2.315 54.374 52.037 0.036 0.000 0.637 896 A CB -1.281 17.740 19.000 0.036 0.000 0.827 896 A HN 0.488 nan 8.150 nan 0.000 0.450 897 A N -1.392 121.451 122.820 0.038 0.000 2.024 897 A HA 0.164 4.483 4.320 -0.001 0.000 0.220 897 A C 1.209 178.800 177.584 0.011 0.000 1.164 897 A CA 0.960 53.010 52.037 0.022 0.000 0.643 897 A CB -0.418 18.591 19.000 0.015 0.000 0.806 897 A HN 0.390 nan 8.150 nan 0.000 0.451 901 S N 0.298 116.001 115.700 0.007 0.000 2.502 901 S HA 0.266 4.736 4.470 -0.001 0.000 0.215 901 S C 1.428 175.996 174.600 -0.053 0.000 1.009 901 S CA -0.351 57.880 58.200 0.050 0.000 0.908 901 S CB 0.440 63.722 63.200 0.136 0.000 0.801 901 S HN 0.234 nan 8.310 nan 0.000 0.505 902 L N 1.718 122.876 121.223 -0.108 0.000 2.042 902 L HA -0.123 4.216 4.340 -0.001 0.000 0.210 902 L C 2.332 179.082 176.870 -0.201 0.000 1.076 902 L CA 1.866 56.592 54.840 -0.191 0.000 0.749 902 L CB -1.239 40.732 42.059 -0.146 0.000 0.893 902 L HN 0.444 nan 8.230 nan 0.000 0.432 903 G N -0.256 108.469 108.800 -0.124 0.000 2.529 903 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.219 903 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.219 903 G C 1.141 175.964 174.900 -0.130 0.000 1.177 903 G CA 1.076 46.114 45.100 -0.104 0.000 0.773 903 G HN 0.427 nan 8.290 nan 0.000 0.573 904 D N 1.056 121.388 120.400 -0.113 0.000 2.117 904 D HA -0.019 4.620 4.640 -0.001 0.000 0.198 904 D C 2.850 178.968 176.300 -0.303 0.000 0.982 904 D CA 1.119 55.068 54.000 -0.085 0.000 0.828 904 D CB -0.560 40.289 40.800 0.082 0.000 0.967 904 D HN 0.317 nan 8.370 nan 0.000 0.464 905 A N 0.752 123.106 122.820 -0.776 0.000 2.032 905 A HA -0.152 4.168 4.320 -0.001 0.000 0.221 905 A C 2.204 179.390 177.584 -0.664 0.000 1.165 905 A CA 0.970 52.094 52.037 -1.521 0.000 0.645 905 A CB -0.640 17.459 19.000 -1.501 0.000 0.807 905 A HN 0.244 nan 8.150 nan 0.000 0.453 906 L N -1.881 119.111 121.223 -0.385 0.000 2.529 906 L HA 0.095 4.434 4.340 -0.001 0.000 0.223 906 L C 2.029 178.813 176.870 -0.144 0.000 1.113 906 L CA 0.483 55.187 54.840 -0.227 0.000 0.861 906 L CB 0.071 42.023 42.059 -0.177 0.000 1.012 906 L HN 0.112 nan 8.230 nan 0.000 0.461 907 K N -0.492 119.830 120.400 -0.130 0.000 2.262 907 K HA 0.187 4.507 4.320 -0.001 0.000 0.200 907 K C 1.851 178.430 176.600 -0.035 0.000 1.049 907 K CA 0.913 57.162 56.287 -0.064 0.000 0.979 907 K CB 0.216 32.693 32.500 -0.039 0.000 0.773 907 K HN 0.243 nan 8.250 nan 0.000 0.474 908 A N 1.001 123.799 122.820 -0.036 0.000 2.168 908 A HA 0.082 4.402 4.320 -0.001 0.000 0.215 908 A C 2.105 179.700 177.584 0.018 0.000 1.152 908 A CA 1.388 53.444 52.037 0.031 0.000 0.716 908 A CB -0.201 18.881 19.000 0.137 0.000 0.794 908 A HN 0.238 nan 8.150 nan 0.000 0.465 909 A N 1.125 123.929 122.820 -0.027 0.000 1.844 909 A HA 0.000 4.320 4.320 -0.001 0.000 0.212 909 A C 1.058 178.638 177.584 -0.007 0.000 1.221 909 A CA 0.810 52.836 52.037 -0.017 0.000 0.607 909 A CB -0.610 18.360 19.000 -0.051 0.000 0.878 909 A HN 0.589 nan 8.150 nan 0.000 0.451 910 D N 1.308 121.697 120.400 -0.018 0.000 2.426 910 D HA 0.062 4.702 4.640 -0.001 0.000 0.271 910 D C -0.104 176.195 176.300 -0.001 0.000 1.376 910 D CA 0.410 54.403 54.000 -0.011 0.000 1.149 910 D CB -0.031 40.759 40.800 -0.018 0.000 1.118 910 D HN 0.540 nan 8.370 nan 0.000 0.529 911 Q N 0.000 119.804 119.800 0.007 0.000 2.315 911 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 911 Q CA 0.000 55.810 55.803 0.012 0.000 1.022 911 Q CB 0.000 28.750 28.738 0.020 0.000 1.108 911 Q HN 0.000 nan 8.270 nan 0.000 0.481