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 3k2w_1_E DATA FIRST_RESID 3 DATA SEQUENCE VQDLHFKNKV NFIGGQYVPS NESDTIDILS PSTGKVIGEI PAGCKADAEN DATA SEQUENCE ALEVAQAAQK AWAKLTARTR QNMLRTFANK IRENKHILAP MLVAEQGKLL DATA SEQUENCE SVAEMEVDVT ATFIDYGCDN ALTIEGDILP SDNQDEKIYI HKVPRGVVVG DATA SEQUENCE ITAWNFPLAL AGRKIGPALI TGNTMVLKPT QETPLATTEL GRIAKEAGLP DATA SEQUENCE DGVLNVINGT GSVVGQTLCE SPITKMITMT GSTVAGKQIY KTSAEYMTPV DATA SEQUENCE MLELGGKAPM VVMDDADLDK AAEDALWGRF ANCGQVCTCV ERLYVHASVY DATA SEQUENCE DEFMAKFLPL VKGLKVGDPM DADSQMGPKC NQREIDNIDH IVHEAIKQGA DATA SEQUENCE TVATGGKTAT VEGFEGGCWY EPTVLVDVKQ DNIVVHEETF GPILPIVKVS DATA SEQUENCE SMEQAIEFCN DSIYGLSAYV HTQSFANINQ AISDLEVGEV YINRGMGEQH DATA SEQUENCE QGFHNGWKQS GFGGEDGKFG LEQYLEKKTV YINEAE 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.067 176.094 -0.045 0.000 1.182 3 V CA 0.000 62.311 62.300 0.019 0.000 1.235 3 V CB 0.000 31.887 31.823 0.106 0.000 1.184 4 Q N 1.187 120.970 119.800 -0.029 0.000 2.291 4 Q HA -0.104 4.236 4.340 -0.000 0.000 0.205 4 Q C 1.287 177.214 176.000 -0.122 0.000 0.970 4 Q CA 1.705 57.482 55.803 -0.043 0.000 0.876 4 Q CB -0.051 28.679 28.738 -0.012 0.000 0.935 4 Q HN 0.661 nan 8.270 nan 0.000 0.455 5 D N -0.184 120.115 120.400 -0.169 0.000 2.348 5 D HA 0.034 4.674 4.640 -0.000 0.000 0.211 5 D C -0.042 175.948 176.300 -0.516 0.000 0.998 5 D CA 0.369 54.212 54.000 -0.262 0.000 0.873 5 D CB 0.287 40.990 40.800 -0.162 0.000 0.925 5 D HN 0.226 nan 8.370 nan 0.000 0.524 6 L N 1.608 122.516 121.223 -0.525 0.000 2.331 6 L HA 0.152 4.492 4.340 -0.000 0.000 0.278 6 L C 0.288 176.683 176.870 -0.791 0.000 1.106 6 L CA -0.262 54.134 54.840 -0.740 0.000 0.824 6 L CB 0.798 42.264 42.059 -0.988 0.000 1.142 6 L HN -0.069 nan 8.230 nan 0.000 0.443 7 H N 4.185 123.025 119.070 -0.382 0.000 2.702 7 H HA 0.242 4.798 4.556 -0.000 0.000 0.252 7 H C -0.344 174.869 175.328 -0.191 0.000 1.493 7 H CA -0.592 55.319 56.048 -0.228 0.000 1.273 7 H CB -0.112 29.575 29.762 -0.126 0.000 1.537 7 H HN 0.269 nan 8.280 nan 0.000 0.547 8 F N 1.635 121.609 119.950 0.040 0.000 2.506 8 F HA 0.059 4.586 4.527 -0.000 0.000 0.351 8 F C 1.387 177.166 175.800 -0.035 0.000 1.136 8 F CA -0.223 57.776 58.000 -0.002 0.000 1.298 8 F CB 0.730 39.728 39.000 -0.003 0.000 1.145 8 F HN 0.043 nan 8.300 nan 0.000 0.593 9 K N 3.211 123.698 120.400 0.146 0.000 2.127 9 K HA 0.116 4.436 4.320 -0.000 0.000 0.261 9 K C -0.524 176.095 176.600 0.032 0.000 1.129 9 K CA -0.176 56.091 56.287 -0.034 0.000 0.993 9 K CB -0.603 31.792 32.500 -0.176 0.000 1.410 9 K HN 0.470 nan 8.250 nan 0.000 0.380 10 N N 1.904 120.631 118.700 0.044 0.000 2.529 10 N HA 0.053 4.793 4.740 -0.000 0.000 0.278 10 N C 0.175 175.705 175.510 0.032 0.000 1.146 10 N CA -0.140 52.935 53.050 0.041 0.000 0.980 10 N CB 0.809 39.328 38.487 0.054 0.000 1.124 10 N HN 0.279 nan 8.380 nan 0.000 0.458 11 K N -1.708 118.712 120.400 0.033 0.000 3.016 11 K HA -0.187 4.133 4.320 -0.000 0.000 0.262 11 K C -0.364 176.271 176.600 0.058 0.000 1.043 11 K CA 0.461 56.770 56.287 0.038 0.000 0.761 11 K CB -1.731 30.786 32.500 0.029 0.000 1.230 11 K HN 0.463 nan 8.250 nan 0.000 0.485 12 V N -3.318 116.648 119.914 0.086 0.000 3.102 12 V HA 0.691 4.811 4.120 -0.000 0.000 0.312 12 V C -0.279 175.931 176.094 0.194 0.000 1.135 12 V CA -1.238 61.150 62.300 0.148 0.000 1.022 12 V CB 2.364 34.307 31.823 0.199 0.000 1.056 12 V HN 0.097 nan 8.190 nan 0.000 0.436 13 N N 0.552 119.376 118.700 0.208 0.000 2.328 13 N HA 0.596 5.336 4.740 -0.000 0.000 0.299 13 N C -1.689 173.960 175.510 0.231 0.000 1.179 13 N CA -0.381 52.785 53.050 0.193 0.000 0.793 13 N CB 2.435 40.978 38.487 0.093 0.000 1.366 13 N HN 0.899 nan 8.380 nan 0.000 0.493 14 F N 1.783 121.721 119.950 -0.020 0.000 2.347 14 F HA 0.588 5.115 4.527 -0.000 0.000 0.366 14 F C -0.829 174.874 175.800 -0.162 0.000 1.107 14 F CA -0.554 57.312 58.000 -0.223 0.000 1.058 14 F CB 0.336 39.110 39.000 -0.376 0.000 1.236 14 F HN 0.274 nan 8.300 nan 0.000 0.456 15 I N 4.679 124.896 120.570 -0.587 0.000 2.582 15 I HA 0.402 4.572 4.170 -0.000 0.000 0.292 15 I C 0.626 176.421 176.117 -0.537 0.000 1.066 15 I CA -0.954 60.091 61.300 -0.424 0.000 1.053 15 I CB 2.125 40.003 38.000 -0.203 0.000 1.241 15 I HN 0.744 nan 8.210 nan 0.000 0.421 16 G N 3.881 112.430 108.800 -0.418 0.000 2.321 16 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.287 16 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.287 16 G C 0.965 175.621 174.900 -0.406 0.000 1.018 16 G CA 0.779 45.681 45.100 -0.330 0.000 0.855 16 G HN 1.720 nan 8.290 nan 0.000 0.507 17 G N -2.558 105.831 108.800 -0.685 0.000 2.157 17 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.248 17 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.248 17 G C 0.008 174.535 174.900 -0.622 0.000 0.979 17 G CA 0.979 45.745 45.100 -0.555 0.000 0.650 17 G HN 1.275 nan 8.290 nan 0.000 0.529 18 Q N -0.906 118.338 119.800 -0.927 0.000 2.359 18 Q HA 0.482 4.822 4.340 -0.000 0.000 0.274 18 Q C -0.978 174.748 176.000 -0.456 0.000 1.074 18 Q CA -0.902 54.636 55.803 -0.442 0.000 0.810 18 Q CB 1.325 29.930 28.738 -0.220 0.000 1.342 18 Q HN 0.265 nan 8.270 nan 0.000 0.427 19 Y N 1.067 121.413 120.300 0.077 0.000 2.587 19 Y HA 0.231 4.781 4.550 -0.000 0.000 0.344 19 Y C 0.732 176.653 175.900 0.035 0.000 1.061 19 Y CA -0.275 57.907 58.100 0.135 0.000 1.370 19 Y CB 0.258 38.828 38.460 0.183 0.000 1.163 19 Y HN 0.218 nan 8.280 nan 0.000 0.527 20 V N 3.403 123.397 119.914 0.133 0.000 2.815 20 V HA 0.734 4.854 4.120 -0.000 0.000 0.314 20 V C -2.530 173.614 176.094 0.083 0.000 1.064 20 V CA -2.954 59.385 62.300 0.065 0.000 0.952 20 V CB 1.875 33.689 31.823 -0.014 0.000 1.020 20 V HN 0.419 nan 8.190 nan 0.000 0.439 21 P HA 0.246 nan 4.420 nan 0.000 0.276 21 P C -0.058 177.263 177.300 0.036 0.000 1.261 21 P CA -0.075 63.056 63.100 0.050 0.000 0.800 21 P CB 1.184 32.906 31.700 0.036 0.000 1.066 22 S N -0.092 115.628 115.700 0.033 0.000 2.614 22 S HA 0.088 4.558 4.470 -0.000 0.000 0.265 22 S C 1.289 175.897 174.600 0.015 0.000 1.303 22 S CA -0.288 57.926 58.200 0.024 0.000 1.000 22 S CB -0.396 62.819 63.200 0.024 0.000 0.935 22 S HN 0.279 nan 8.310 nan 0.000 0.551 23 N N 1.141 119.847 118.700 0.009 0.000 2.409 23 N HA 0.105 4.845 4.740 -0.000 0.000 0.179 23 N C 0.189 175.703 175.510 0.007 0.000 1.032 23 N CA 0.542 53.596 53.050 0.006 0.000 0.898 23 N CB 0.067 38.555 38.487 0.002 0.000 0.971 23 N HN 0.692 nan 8.380 nan 0.000 0.441 24 E N -1.306 118.899 120.200 0.009 0.000 2.212 24 E HA 0.312 4.662 4.350 -0.000 0.000 0.270 24 E C 0.128 176.735 176.600 0.010 0.000 0.956 24 E CA -0.285 56.120 56.400 0.008 0.000 0.825 24 E CB 1.376 31.080 29.700 0.008 0.000 1.167 24 E HN -0.114 nan 8.360 nan 0.000 0.400 25 S N 1.801 117.506 115.700 0.009 0.000 2.503 25 S HA 0.031 4.501 4.470 -0.000 0.000 0.217 25 S C -0.279 174.326 174.600 0.009 0.000 0.999 25 S CA -0.027 58.179 58.200 0.009 0.000 0.914 25 S CB 0.024 63.228 63.200 0.008 0.000 0.782 25 S HN 0.517 nan 8.310 nan 0.000 0.520 26 D N 2.229 122.634 120.400 0.008 0.000 2.423 26 D HA 0.298 4.938 4.640 -0.000 0.000 0.238 26 D C 0.563 176.867 176.300 0.007 0.000 1.142 26 D CA 0.652 54.656 54.000 0.006 0.000 0.884 26 D CB 1.181 41.984 40.800 0.005 0.000 1.199 26 D HN 0.418 nan 8.370 nan 0.000 0.438 27 T N -1.536 113.020 114.554 0.004 0.000 2.864 27 T HA 0.778 5.128 4.350 -0.000 0.000 0.289 27 T C -0.312 174.386 174.700 -0.003 0.000 1.082 27 T CA -0.934 61.167 62.100 0.003 0.000 1.009 27 T CB 0.893 69.763 68.868 0.003 0.000 1.234 27 T HN 0.244 nan 8.240 nan 0.000 0.526 28 I N 1.241 121.806 120.570 -0.008 0.000 2.499 28 I HA 0.326 4.496 4.170 -0.000 0.000 0.288 28 I C -1.012 175.088 176.117 -0.029 0.000 1.048 28 I CA -0.996 60.294 61.300 -0.017 0.000 1.062 28 I CB 2.023 40.013 38.000 -0.017 0.000 1.238 28 I HN 0.603 nan 8.210 nan 0.000 0.426 29 D N 6.295 126.676 120.400 -0.032 0.000 2.425 29 D HA 0.215 4.855 4.640 -0.000 0.000 0.247 29 D C -0.142 176.119 176.300 -0.066 0.000 1.147 29 D CA 0.204 54.178 54.000 -0.043 0.000 0.879 29 D CB 1.053 41.831 40.800 -0.036 0.000 1.179 29 D HN 0.120 nan 8.370 nan 0.000 0.456 30 I N 3.356 123.872 120.570 -0.090 0.000 2.315 30 I HA 0.183 4.353 4.170 -0.000 0.000 0.291 30 I C 0.046 176.092 176.117 -0.118 0.000 1.006 30 I CA -0.677 60.547 61.300 -0.126 0.000 1.265 30 I CB 0.434 38.315 38.000 -0.198 0.000 1.387 30 I HN 0.096 nan 8.210 nan 0.000 0.475 31 L N 4.666 125.822 121.223 -0.112 0.000 2.334 31 L HA 0.358 4.698 4.340 -0.000 0.000 0.275 31 L C 0.634 177.442 176.870 -0.104 0.000 1.036 31 L CA -0.172 54.612 54.840 -0.094 0.000 0.807 31 L CB 1.625 43.629 42.059 -0.091 0.000 1.231 31 L HN 0.623 nan 8.230 nan 0.000 0.438 32 S N 3.567 119.226 115.700 -0.069 0.000 2.448 32 S HA 0.341 4.811 4.470 -0.000 0.000 0.279 32 S C -1.766 172.776 174.600 -0.097 0.000 1.195 32 S CA -1.066 57.100 58.200 -0.057 0.000 1.051 32 S CB 0.716 63.923 63.200 0.011 0.000 0.948 32 S HN 0.450 nan 8.310 nan 0.000 0.493 33 P HA -0.068 nan 4.420 nan 0.000 0.222 33 P C 1.357 178.451 177.300 -0.344 0.000 1.147 33 P CA 0.836 63.787 63.100 -0.249 0.000 0.790 33 P CB 0.064 31.602 31.700 -0.270 0.000 0.780 34 S N -1.860 113.706 115.700 -0.223 0.000 2.421 34 S HA -0.060 4.410 4.470 -0.000 0.000 0.224 34 S C 1.848 176.585 174.600 0.229 0.000 1.035 34 S CA 1.511 59.614 58.200 -0.162 0.000 0.953 34 S CB -1.589 61.586 63.200 -0.041 0.000 0.810 34 S HN 0.245 nan 8.310 nan 0.000 0.497 35 T N -3.591 111.087 114.554 0.207 0.000 2.990 35 T HA 0.524 4.874 4.350 -0.000 0.000 0.249 35 T C 1.728 176.504 174.700 0.128 0.000 1.039 35 T CA 0.875 63.134 62.100 0.265 0.000 1.036 35 T CB -0.044 68.954 68.868 0.217 0.000 0.994 35 T HN 1.186 nan 8.240 nan 0.000 0.489 36 G N 1.861 110.689 108.800 0.048 0.000 2.205 36 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.261 36 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.261 36 G C 0.048 174.952 174.900 0.006 0.000 0.980 36 G CA 0.340 45.446 45.100 0.010 0.000 0.632 36 G HN 0.714 nan 8.290 nan 0.000 0.533 37 K N 0.201 120.614 120.400 0.022 0.000 2.126 37 K HA 0.564 4.884 4.320 -0.000 0.000 0.257 37 K C 0.525 177.126 176.600 0.001 0.000 1.007 37 K CA -0.658 55.638 56.287 0.016 0.000 0.928 37 K CB 1.790 34.308 32.500 0.030 0.000 1.013 37 K HN 0.022 nan 8.250 nan 0.000 0.473 38 V N 3.624 123.537 119.914 -0.001 0.000 2.479 38 V HA 0.003 4.123 4.120 -0.000 0.000 0.281 38 V C 1.115 177.211 176.094 0.003 0.000 1.031 38 V CA 0.266 62.559 62.300 -0.013 0.000 1.038 38 V CB -0.048 31.770 31.823 -0.009 0.000 0.981 38 V HN 0.728 nan 8.190 nan 0.000 0.478 39 I N 1.701 122.256 120.570 -0.025 0.000 4.154 39 I HA 0.748 4.918 4.170 -0.000 0.000 0.334 39 I C 0.704 176.806 176.117 -0.024 0.000 1.371 39 I CA 0.200 61.509 61.300 0.015 0.000 1.110 39 I CB 0.626 38.633 38.000 0.012 0.000 1.085 39 I HN 0.659 nan 8.210 nan 0.000 0.398 40 G N 0.648 109.395 108.800 -0.087 0.000 2.322 40 G HA2 0.439 4.399 3.960 -0.000 0.000 0.295 40 G HA3 0.439 4.399 3.960 -0.000 0.000 0.295 40 G C -2.091 172.761 174.900 -0.080 0.000 1.369 40 G CA -0.566 44.481 45.100 -0.088 0.000 0.821 40 G HN 0.161 nan 8.290 nan 0.000 0.536 41 E N -1.014 119.155 120.200 -0.050 0.000 2.343 41 E HA 0.609 4.959 4.350 -0.000 0.000 0.278 41 E C -0.617 175.970 176.600 -0.020 0.000 0.910 41 E CA -0.817 55.563 56.400 -0.033 0.000 0.757 41 E CB 2.478 32.173 29.700 -0.008 0.000 1.218 41 E HN 0.723 nan 8.360 nan 0.000 0.435 42 I N -0.876 119.684 120.570 -0.017 0.000 2.910 42 I HA 0.706 4.876 4.170 -0.000 0.000 0.310 42 I C -2.594 173.530 176.117 0.012 0.000 1.043 42 I CA -2.970 58.333 61.300 0.004 0.000 1.053 42 I CB 1.682 39.684 38.000 0.003 0.000 1.242 42 I HN 0.246 nan 8.210 nan 0.000 0.452 43 P HA 0.105 nan 4.420 nan 0.000 0.269 43 P C 0.058 177.367 177.300 0.016 0.000 1.215 43 P CA -0.090 63.023 63.100 0.022 0.000 0.780 43 P CB 0.915 32.633 31.700 0.031 0.000 0.898 44 A N 2.449 125.277 122.820 0.012 0.000 2.072 44 A HA 0.396 4.716 4.320 -0.000 0.000 0.216 44 A C 1.086 178.677 177.584 0.013 0.000 1.156 44 A CA 1.103 53.146 52.037 0.010 0.000 0.701 44 A CB -1.371 17.632 19.000 0.006 0.000 0.816 44 A HN 0.791 nan 8.150 nan 0.000 0.458 45 G N -1.907 106.902 108.800 0.015 0.000 2.814 45 G HA2 0.057 4.017 3.960 -0.000 0.000 0.677 45 G HA3 0.057 4.017 3.960 -0.000 0.000 0.677 45 G C -0.094 174.813 174.900 0.011 0.000 1.429 45 G CA -0.199 44.910 45.100 0.015 0.000 0.868 45 G HN 2.087 nan 8.290 nan 0.000 0.553 46 C N -1.109 118.196 119.300 0.010 0.000 3.323 46 C HA 0.846 5.305 4.460 -0.000 0.000 0.324 46 C C 1.476 176.469 174.990 0.005 0.000 1.428 46 C CA -0.169 58.853 59.018 0.007 0.000 1.368 46 C CB 1.442 29.186 27.740 0.006 0.000 1.731 46 C HN 1.036 nan 8.230 nan 0.000 0.455 47 K N 0.804 121.206 120.400 0.003 0.000 2.103 47 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 47 K C 2.148 178.746 176.600 -0.004 0.000 1.048 47 K CA 1.858 58.146 56.287 0.000 0.000 0.930 47 K CB -0.600 31.900 32.500 0.001 0.000 0.716 47 K HN 0.813 nan 8.250 nan 0.000 0.444 48 A N 2.263 125.081 122.820 -0.003 0.000 1.930 48 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 48 A C 1.653 179.232 177.584 -0.009 0.000 1.175 48 A CA 1.735 53.769 52.037 -0.006 0.000 0.627 48 A CB -0.331 18.667 19.000 -0.005 0.000 0.815 48 A HN 0.183 nan 8.150 nan 0.000 0.443 49 D N 0.356 120.753 120.400 -0.004 0.000 2.104 49 D HA -0.105 4.535 4.640 -0.000 0.000 0.194 49 D C 2.215 178.509 176.300 -0.009 0.000 0.994 49 D CA 1.735 55.732 54.000 -0.004 0.000 0.830 49 D CB -0.483 40.320 40.800 0.005 0.000 0.959 49 D HN 0.436 nan 8.370 nan 0.000 0.452 50 A N 0.654 123.470 122.820 -0.007 0.000 1.897 50 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 50 A C 2.140 179.712 177.584 -0.021 0.000 1.181 50 A CA 1.544 53.574 52.037 -0.011 0.000 0.620 50 A CB -0.587 18.409 19.000 -0.007 0.000 0.821 50 A HN 0.094 nan 8.150 nan 0.000 0.443 51 E N 0.152 120.339 120.200 -0.022 0.000 2.086 51 E HA -0.235 4.115 4.350 -0.000 0.000 0.200 51 E C 2.022 178.603 176.600 -0.031 0.000 1.012 51 E CA 1.672 58.055 56.400 -0.028 0.000 0.812 51 E CB -0.242 29.444 29.700 -0.023 0.000 0.743 51 E HN 0.744 nan 8.360 nan 0.000 0.453 52 N N -0.478 118.205 118.700 -0.029 0.000 2.080 52 N HA -0.190 4.550 4.740 -0.000 0.000 0.189 52 N C 1.860 177.343 175.510 -0.045 0.000 1.036 52 N CA 1.337 54.366 53.050 -0.036 0.000 0.846 52 N CB -0.118 38.349 38.487 -0.033 0.000 1.015 52 N HN 0.185 nan 8.380 nan 0.000 0.423 53 A N 1.791 124.586 122.820 -0.042 0.000 1.892 53 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 53 A C 2.422 179.977 177.584 -0.049 0.000 1.188 53 A CA 1.170 53.178 52.037 -0.048 0.000 0.631 53 A CB -0.876 18.105 19.000 -0.032 0.000 0.822 53 A HN 0.360 nan 8.150 nan 0.000 0.447 54 L N -0.999 120.200 121.223 -0.041 0.000 2.017 54 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 54 L C 2.631 179.475 176.870 -0.044 0.000 1.073 54 L CA 1.806 56.621 54.840 -0.042 0.000 0.745 54 L CB -0.637 41.395 42.059 -0.044 0.000 0.894 54 L HN 0.462 nan 8.230 nan 0.000 0.432 55 E N -0.485 119.689 120.200 -0.044 0.000 2.110 55 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 55 E C 2.265 178.838 176.600 -0.045 0.000 0.988 55 E CA 1.285 57.661 56.400 -0.041 0.000 0.804 55 E CB -0.074 29.603 29.700 -0.038 0.000 0.745 55 E HN 0.243 nan 8.360 nan 0.000 0.458 56 V N 1.048 120.929 119.914 -0.055 0.000 2.358 56 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 56 V C 2.246 178.297 176.094 -0.071 0.000 1.047 56 V CA 1.750 64.009 62.300 -0.069 0.000 1.035 56 V CB -0.575 31.192 31.823 -0.093 0.000 0.658 56 V HN 0.333 nan 8.190 nan 0.000 0.452 57 A N -0.860 121.918 122.820 -0.069 0.000 1.902 57 A HA -0.315 4.005 4.320 -0.000 0.000 0.217 57 A C 2.231 179.789 177.584 -0.043 0.000 1.181 57 A CA 2.134 54.130 52.037 -0.069 0.000 0.623 57 A CB -0.575 18.389 19.000 -0.061 0.000 0.818 57 A HN 0.589 nan 8.150 nan 0.000 0.443 58 Q N -0.690 119.091 119.800 -0.032 0.000 2.096 58 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 58 Q C 2.085 178.080 176.000 -0.009 0.000 0.982 58 Q CA 1.688 57.481 55.803 -0.017 0.000 0.850 58 Q CB -0.306 28.419 28.738 -0.022 0.000 0.901 58 Q HN 0.633 nan 8.270 nan 0.000 0.422 59 A N -0.198 122.610 122.820 -0.020 0.000 2.067 59 A HA 0.130 4.450 4.320 -0.000 0.000 0.217 59 A C 1.997 179.578 177.584 -0.005 0.000 1.156 59 A CA 1.065 53.093 52.037 -0.014 0.000 0.683 59 A CB -0.319 18.666 19.000 -0.024 0.000 0.808 59 A HN 0.477 nan 8.150 nan 0.000 0.455 60 A N -1.300 121.511 122.820 -0.014 0.000 2.123 60 A HA -0.003 4.317 4.320 -0.000 0.000 0.214 60 A C 2.032 179.656 177.584 0.066 0.000 1.152 60 A CA 1.078 53.116 52.037 0.002 0.000 0.728 60 A CB -0.273 18.692 19.000 -0.057 0.000 0.814 60 A HN 0.473 nan 8.150 nan 0.000 0.464 61 Q N 0.681 120.518 119.800 0.062 0.000 2.046 61 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 61 Q C 1.679 177.774 176.000 0.157 0.000 0.975 61 Q CA 1.594 57.471 55.803 0.124 0.000 0.836 61 Q CB -0.174 28.613 28.738 0.083 0.000 0.896 61 Q HN 0.664 nan 8.270 nan 0.000 0.428 62 K N -0.138 120.317 120.400 0.092 0.000 2.057 62 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 62 K C 2.073 178.715 176.600 0.071 0.000 1.050 62 K CA 1.065 57.392 56.287 0.067 0.000 0.935 62 K CB -0.127 32.394 32.500 0.036 0.000 0.715 62 K HN 0.189 nan 8.250 nan 0.000 0.439 63 A N 1.386 124.258 122.820 0.087 0.000 1.933 63 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 63 A C 1.895 179.561 177.584 0.138 0.000 1.175 63 A CA 0.948 53.036 52.037 0.086 0.000 0.628 63 A CB -0.849 18.199 19.000 0.080 0.000 0.814 63 A HN 0.619 nan 8.150 nan 0.000 0.444 64 W N 0.634 121.925 121.300 -0.016 0.000 2.379 64 W HA -0.124 4.536 4.660 -0.000 0.000 0.307 64 W C 2.125 178.637 176.519 -0.010 0.000 1.200 64 W CA 1.591 58.927 57.345 -0.015 0.000 1.297 64 W CB -0.162 29.288 29.460 -0.016 0.000 1.140 64 W HN 0.396 nan 8.180 nan 0.000 0.507 65 A N 0.538 123.367 122.820 0.015 0.000 2.121 65 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 65 A C 1.933 179.444 177.584 -0.121 0.000 1.154 65 A CA 1.608 53.585 52.037 -0.100 0.000 0.679 65 A CB -0.692 18.321 19.000 0.021 0.000 0.795 65 A HN 0.378 nan 8.150 nan 0.000 0.458 66 K N -0.458 119.893 120.400 -0.081 0.000 2.167 66 K HA 0.112 4.432 4.320 -0.000 0.000 0.203 66 K C 0.242 176.773 176.600 -0.115 0.000 1.052 66 K CA -0.046 56.196 56.287 -0.075 0.000 0.956 66 K CB -0.279 32.200 32.500 -0.035 0.000 0.735 66 K HN 0.513 nan 8.250 nan 0.000 0.451 67 L N 2.034 123.152 121.223 -0.175 0.000 2.492 67 L HA -0.029 4.311 4.340 -0.000 0.000 0.280 67 L C 0.877 177.616 176.870 -0.218 0.000 1.240 67 L CA -0.145 54.569 54.840 -0.210 0.000 0.831 67 L CB -0.006 41.859 42.059 -0.323 0.000 1.100 67 L HN 0.266 nan 8.230 nan 0.000 0.505 68 T N -1.169 113.285 114.554 -0.168 0.000 2.868 68 T HA 0.324 4.674 4.350 -0.000 0.000 0.292 68 T C 1.124 175.719 174.700 -0.174 0.000 1.028 68 T CA -0.258 61.758 62.100 -0.140 0.000 1.059 68 T CB 1.461 70.273 68.868 -0.093 0.000 0.991 68 T HN 0.659 nan 8.240 nan 0.000 0.531 69 A N 1.384 124.122 122.820 -0.137 0.000 1.908 69 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 69 A C 2.487 180.005 177.584 -0.110 0.000 1.181 69 A CA 1.829 53.789 52.037 -0.129 0.000 0.627 69 A CB -0.903 18.045 19.000 -0.087 0.000 0.818 69 A HN 0.970 nan 8.150 nan 0.000 0.445 70 R N -0.982 119.468 120.500 -0.084 0.000 2.096 70 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 70 R C 2.126 178.387 176.300 -0.064 0.000 1.127 70 R CA 1.975 58.038 56.100 -0.061 0.000 0.968 70 R CB -0.506 29.766 30.300 -0.045 0.000 0.861 70 R HN 0.513 nan 8.270 nan 0.000 0.440 71 T N 0.310 114.808 114.554 -0.092 0.000 2.701 71 T HA -0.083 4.267 4.350 -0.000 0.000 0.263 71 T C 1.776 176.410 174.700 -0.109 0.000 1.040 71 T CA 1.226 63.272 62.100 -0.091 0.000 1.147 71 T CB -0.148 68.652 68.868 -0.113 0.000 0.865 71 T HN 0.324 nan 8.240 nan 0.000 0.426 72 R N 0.763 121.128 120.500 -0.226 0.000 2.091 72 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 72 R C 2.688 178.970 176.300 -0.031 0.000 1.136 72 R CA 1.546 57.488 56.100 -0.263 0.000 0.959 72 R CB -0.304 29.710 30.300 -0.477 0.000 0.856 72 R HN 0.509 nan 8.270 nan 0.000 0.437 73 Q N 0.525 120.302 119.800 -0.038 0.000 2.061 73 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 73 Q C 1.591 177.614 176.000 0.039 0.000 0.984 73 Q CA 1.621 57.428 55.803 0.007 0.000 0.846 73 Q CB 0.022 28.750 28.738 -0.017 0.000 0.902 73 Q HN 0.288 nan 8.270 nan 0.000 0.421 74 N N -0.004 118.712 118.700 0.026 0.000 2.120 74 N HA -0.129 4.611 4.740 -0.000 0.000 0.188 74 N C 1.747 177.305 175.510 0.080 0.000 1.024 74 N CA 1.434 54.510 53.050 0.043 0.000 0.852 74 N CB -0.231 38.271 38.487 0.025 0.000 1.003 74 N HN 0.338 nan 8.380 nan 0.000 0.424 75 M N 0.199 119.860 119.600 0.103 0.000 2.132 75 M HA -0.055 4.425 4.480 -0.000 0.000 0.263 75 M C 1.905 178.327 176.300 0.204 0.000 1.065 75 M CA 1.190 56.584 55.300 0.158 0.000 1.122 75 M CB -0.128 32.607 32.600 0.225 0.000 1.365 75 M HN 0.060 nan 8.290 nan 0.000 0.411 76 L N -1.047 120.309 121.223 0.221 0.000 2.131 76 L HA -0.117 4.223 4.340 -0.000 0.000 0.206 76 L C 2.556 179.557 176.870 0.217 0.000 1.087 76 L CA 0.835 55.835 54.840 0.267 0.000 0.767 76 L CB -0.581 41.632 42.059 0.255 0.000 0.917 76 L HN 0.252 nan 8.230 nan 0.000 0.441 77 R N -0.322 120.263 120.500 0.142 0.000 2.096 77 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 77 R C 2.244 178.609 176.300 0.109 0.000 1.127 77 R CA 1.882 58.044 56.100 0.102 0.000 0.968 77 R CB -0.647 29.695 30.300 0.070 0.000 0.861 77 R HN 0.363 nan 8.270 nan 0.000 0.440 78 T N 1.220 115.852 114.554 0.130 0.000 2.708 78 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 78 T C 1.413 176.227 174.700 0.191 0.000 1.037 78 T CA 1.242 63.423 62.100 0.134 0.000 1.146 78 T CB -0.380 68.562 68.868 0.123 0.000 0.865 78 T HN 0.142 nan 8.240 nan 0.000 0.435 79 F N 2.660 122.641 119.950 0.051 0.000 2.095 79 F HA -0.050 4.477 4.527 -0.000 0.000 0.298 79 F C 2.515 178.339 175.800 0.040 0.000 1.104 79 F CA 0.765 58.789 58.000 0.040 0.000 1.232 79 F CB -1.148 37.875 39.000 0.039 0.000 0.987 79 F HN 0.164 nan 8.300 nan 0.000 0.475 80 A N 0.433 123.235 122.820 -0.030 0.000 1.908 80 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 80 A C 2.186 179.733 177.584 -0.061 0.000 1.181 80 A CA 2.001 53.967 52.037 -0.118 0.000 0.627 80 A CB -0.986 18.005 19.000 -0.015 0.000 0.818 80 A HN 0.515 nan 8.150 nan 0.000 0.445 81 N N -0.265 118.441 118.700 0.010 0.000 2.188 81 N HA -0.089 4.651 4.740 -0.000 0.000 0.184 81 N C 1.593 177.118 175.510 0.025 0.000 1.018 81 N CA 0.998 54.061 53.050 0.022 0.000 0.858 81 N CB -0.235 38.278 38.487 0.043 0.000 0.989 81 N HN 0.364 nan 8.380 nan 0.000 0.426 82 K N 1.038 121.464 120.400 0.043 0.000 2.147 82 K HA -0.007 4.313 4.320 -0.000 0.000 0.205 82 K C 2.060 178.666 176.600 0.011 0.000 1.049 82 K CA 0.465 56.786 56.287 0.058 0.000 0.936 82 K CB -0.217 32.360 32.500 0.129 0.000 0.722 82 K HN 0.282 nan 8.250 nan 0.000 0.446 83 I N 0.502 121.027 120.570 -0.075 0.000 2.252 83 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 83 I C 2.438 178.529 176.117 -0.043 0.000 1.102 83 I CA 1.147 62.382 61.300 -0.108 0.000 1.385 83 I CB -0.202 37.656 38.000 -0.237 0.000 1.064 83 I HN 0.124 nan 8.210 nan 0.000 0.414 84 R N 0.855 121.341 120.500 -0.024 0.000 2.073 84 R HA -0.184 4.156 4.340 -0.000 0.000 0.234 84 R C 2.103 178.424 176.300 0.036 0.000 1.134 84 R CA 1.552 57.656 56.100 0.006 0.000 0.952 84 R CB -0.377 29.929 30.300 0.010 0.000 0.850 84 R HN 0.432 nan 8.270 nan 0.000 0.433 85 E N 0.288 120.516 120.200 0.046 0.000 2.265 85 E HA -0.092 4.258 4.350 -0.000 0.000 0.196 85 E C 0.884 177.565 176.600 0.135 0.000 0.996 85 E CA 0.601 57.053 56.400 0.087 0.000 0.832 85 E CB 0.007 29.754 29.700 0.079 0.000 0.756 85 E HN 0.317 nan 8.360 nan 0.000 0.491 86 N N 0.808 119.540 118.700 0.053 0.000 2.295 86 N HA -0.002 4.738 4.740 -0.000 0.000 0.221 86 N C 1.033 176.480 175.510 -0.105 0.000 1.129 86 N CA 0.045 53.067 53.050 -0.047 0.000 0.836 86 N CB 0.407 38.861 38.487 -0.056 0.000 1.040 86 N HN 0.083 nan 8.380 nan 0.000 0.494 87 K N 1.334 121.739 120.400 0.008 0.000 2.063 87 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 87 K C 2.189 178.786 176.600 -0.005 0.000 1.048 87 K CA 1.337 57.632 56.287 0.013 0.000 0.928 87 K CB -0.086 32.446 32.500 0.053 0.000 0.713 87 K HN 0.365 nan 8.250 nan 0.000 0.442 88 H N -0.167 118.905 119.070 0.004 0.000 2.457 88 H HA -0.109 4.447 4.556 -0.000 0.000 0.297 88 H C 1.784 177.105 175.328 -0.012 0.000 1.092 88 H CA 1.646 57.692 56.048 -0.003 0.000 1.309 88 H CB -0.243 29.516 29.762 -0.004 0.000 1.382 88 H HN 0.307 nan 8.280 nan 0.000 0.535 89 I N 0.353 120.586 120.570 -0.562 0.000 2.512 89 I HA -0.104 4.066 4.170 -0.000 0.000 0.247 89 I C 2.675 178.700 176.117 -0.154 0.000 1.094 89 I CA 0.236 61.331 61.300 -0.342 0.000 1.427 89 I CB -0.119 37.653 38.000 -0.380 0.000 1.149 89 I HN 0.051 nan 8.210 nan 0.000 0.438 90 L N 1.024 122.177 121.223 -0.117 0.000 2.083 90 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 90 L C 2.854 179.732 176.870 0.013 0.000 1.083 90 L CA 1.433 56.257 54.840 -0.025 0.000 0.752 90 L CB -0.744 41.306 42.059 -0.016 0.000 0.899 90 L HN 0.264 nan 8.230 nan 0.000 0.433 91 A N 0.458 123.281 122.820 0.005 0.000 1.858 91 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 91 A C -0.008 177.598 177.584 0.036 0.000 1.190 91 A CA 1.595 53.650 52.037 0.030 0.000 0.617 91 A CB -1.803 17.215 19.000 0.030 0.000 0.827 91 A HN 0.271 nan 8.150 nan 0.000 0.443 92 P HA -0.137 nan 4.420 nan 0.000 0.217 92 P C 1.689 179.036 177.300 0.077 0.000 1.150 92 P CA 1.167 64.287 63.100 0.034 0.000 0.832 92 P CB -0.225 31.476 31.700 0.002 0.000 0.787 93 M N -1.259 118.393 119.600 0.088 0.000 2.088 93 M HA -0.211 4.269 4.480 -0.000 0.000 0.256 93 M C 2.076 178.495 176.300 0.199 0.000 1.071 93 M CA 2.040 57.493 55.300 0.255 0.000 1.097 93 M CB -1.180 31.572 32.600 0.254 0.000 1.315 93 M HN -0.057 nan 8.290 nan 0.000 0.406 94 L N -0.731 120.561 121.223 0.115 0.000 2.083 94 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 94 L C 2.368 179.268 176.870 0.050 0.000 1.083 94 L CA 0.800 55.685 54.840 0.076 0.000 0.752 94 L CB -0.629 41.471 42.059 0.068 0.000 0.899 94 L HN 0.152 nan 8.230 nan 0.000 0.433 95 V N -0.041 119.906 119.914 0.055 0.000 2.295 95 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 95 V C 2.738 178.856 176.094 0.039 0.000 1.049 95 V CA 1.857 64.178 62.300 0.036 0.000 1.024 95 V CB -0.978 30.870 31.823 0.041 0.000 0.648 95 V HN 0.487 nan 8.190 nan 0.000 0.447 96 A N 0.717 123.589 122.820 0.085 0.000 1.873 96 A HA -0.244 4.076 4.320 -0.000 0.000 0.215 96 A C 2.282 179.877 177.584 0.018 0.000 1.186 96 A CA 1.918 54.012 52.037 0.096 0.000 0.616 96 A CB -0.432 18.702 19.000 0.224 0.000 0.823 96 A HN 0.774 nan 8.150 nan 0.000 0.442 97 E N -2.061 118.134 120.200 -0.008 0.000 2.250 97 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 97 E C 1.924 178.481 176.600 -0.072 0.000 0.986 97 E CA 0.944 57.295 56.400 -0.082 0.000 0.849 97 E CB -0.124 29.499 29.700 -0.128 0.000 0.797 97 E HN 0.556 nan 8.360 nan 0.000 0.482 98 Q N -0.043 119.733 119.800 -0.041 0.000 2.477 98 Q HA 0.108 4.448 4.340 -0.000 0.000 0.252 98 Q C 1.085 177.042 176.000 -0.072 0.000 0.869 98 Q CA 1.262 57.041 55.803 -0.040 0.000 0.969 98 Q CB 1.273 30.012 28.738 0.002 0.000 1.144 98 Q HN 0.453 nan 8.270 nan 0.000 0.577 99 G N 2.216 110.977 108.800 -0.066 0.000 2.176 99 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.232 99 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.232 99 G C -0.052 174.809 174.900 -0.066 0.000 0.986 99 G CA 0.360 45.404 45.100 -0.092 0.000 0.643 99 G HN 0.410 nan 8.290 nan 0.000 0.522 100 K N 1.019 121.388 120.400 -0.051 0.000 2.319 100 K HA 0.616 4.936 4.320 -0.000 0.000 0.265 100 K C 0.884 177.485 176.600 0.001 0.000 1.000 100 K CA -0.786 55.482 56.287 -0.032 0.000 0.943 100 K CB 0.968 33.433 32.500 -0.058 0.000 0.950 100 K HN 0.224 nan 8.250 nan 0.000 0.485 101 L N 2.771 124.006 121.223 0.019 0.000 2.529 101 L HA -0.118 4.222 4.340 -0.000 0.000 0.287 101 L C 1.890 178.774 176.870 0.023 0.000 1.241 101 L CA -0.155 54.699 54.840 0.023 0.000 0.857 101 L CB -0.063 42.010 42.059 0.025 0.000 1.113 101 L HN 0.726 nan 8.230 nan 0.000 0.504 102 L N 1.833 123.069 121.223 0.021 0.000 2.042 102 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 102 L C 2.665 179.549 176.870 0.023 0.000 1.076 102 L CA 2.183 57.038 54.840 0.024 0.000 0.749 102 L CB -0.081 41.992 42.059 0.022 0.000 0.893 102 L HN 1.032 nan 8.230 nan 0.000 0.432 103 S N -1.372 114.335 115.700 0.012 0.000 2.402 103 S HA -0.130 4.340 4.470 -0.000 0.000 0.229 103 S C 1.768 176.376 174.600 0.012 0.000 1.021 103 S CA 1.217 59.418 58.200 0.002 0.000 0.974 103 S CB -0.764 62.423 63.200 -0.021 0.000 0.800 103 S HN 0.286 nan 8.310 nan 0.000 0.484 104 V N 2.328 122.258 119.914 0.027 0.000 2.453 104 V HA 0.023 4.143 4.120 -0.000 0.000 0.247 104 V C 3.109 179.263 176.094 0.099 0.000 1.048 104 V CA 1.334 63.675 62.300 0.068 0.000 1.049 104 V CB -1.491 30.386 31.823 0.089 0.000 0.672 104 V HN 0.640 nan 8.190 nan 0.000 0.457 105 A N 0.006 122.870 122.820 0.073 0.000 1.902 105 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 105 A C 2.184 179.810 177.584 0.069 0.000 1.181 105 A CA 1.870 53.952 52.037 0.076 0.000 0.623 105 A CB -0.439 18.593 19.000 0.054 0.000 0.818 105 A HN 0.602 nan 8.150 nan 0.000 0.443 106 E N -1.180 119.050 120.200 0.049 0.000 2.077 106 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 106 E C 2.034 178.656 176.600 0.038 0.000 0.989 106 E CA 1.140 57.562 56.400 0.038 0.000 0.800 106 E CB -0.195 29.521 29.700 0.026 0.000 0.746 106 E HN 0.430 nan 8.360 nan 0.000 0.452 107 M N 0.799 120.423 119.600 0.040 0.000 2.229 107 M HA -0.156 4.324 4.480 -0.000 0.000 0.264 107 M C 2.018 178.353 176.300 0.059 0.000 1.063 107 M CA 1.455 56.774 55.300 0.032 0.000 1.114 107 M CB -0.442 32.169 32.600 0.020 0.000 1.387 107 M HN 0.095 nan 8.290 nan 0.000 0.420 108 E N -0.623 119.642 120.200 0.109 0.000 2.077 108 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 108 E C 1.863 178.532 176.600 0.116 0.000 0.989 108 E CA 1.429 57.924 56.400 0.157 0.000 0.800 108 E CB 0.182 30.025 29.700 0.238 0.000 0.746 108 E HN 0.293 nan 8.360 nan 0.000 0.452 109 V N 1.868 121.830 119.914 0.080 0.000 2.295 109 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 109 V C 1.890 178.006 176.094 0.037 0.000 1.049 109 V CA 2.113 64.442 62.300 0.048 0.000 1.024 109 V CB -0.559 31.281 31.823 0.029 0.000 0.648 109 V HN 0.276 nan 8.190 nan 0.000 0.447 110 D N 0.162 120.581 120.400 0.032 0.000 2.123 110 D HA -0.138 4.502 4.640 -0.000 0.000 0.196 110 D C 2.172 178.491 176.300 0.031 0.000 0.992 110 D CA 1.402 55.414 54.000 0.019 0.000 0.833 110 D CB -0.355 40.447 40.800 0.003 0.000 0.954 110 D HN 0.346 nan 8.370 nan 0.000 0.455 111 V N 1.097 121.037 119.914 0.044 0.000 2.427 111 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 111 V C 2.480 178.678 176.094 0.174 0.000 1.051 111 V CA 1.800 64.133 62.300 0.057 0.000 1.048 111 V CB -0.825 31.022 31.823 0.039 0.000 0.666 111 V HN 0.219 nan 8.190 nan 0.000 0.456 112 T N 0.799 115.462 114.554 0.183 0.000 2.665 112 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 112 T C 2.064 176.826 174.700 0.102 0.000 1.035 112 T CA 1.885 64.088 62.100 0.173 0.000 1.151 112 T CB -0.477 68.428 68.868 0.063 0.000 0.862 112 T HN 0.584 nan 8.240 nan 0.000 0.438 113 A N 1.700 124.542 122.820 0.037 0.000 1.930 113 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 113 A C 2.636 180.258 177.584 0.063 0.000 1.175 113 A CA 2.111 54.152 52.037 0.006 0.000 0.627 113 A CB -1.166 17.825 19.000 -0.015 0.000 0.815 113 A HN 0.649 nan 8.150 nan 0.000 0.443 114 T N -3.465 111.145 114.554 0.093 0.000 2.904 114 T HA -0.061 4.289 4.350 -0.000 0.000 0.267 114 T C 1.704 176.494 174.700 0.149 0.000 1.059 114 T CA 1.165 63.354 62.100 0.147 0.000 1.137 114 T CB -0.652 68.299 68.868 0.139 0.000 0.879 114 T HN 0.318 nan 8.240 nan 0.000 0.467 115 F N 1.245 121.159 119.950 -0.059 0.000 2.126 115 F HA 0.053 4.580 4.527 -0.000 0.000 0.299 115 F C 2.243 177.994 175.800 -0.082 0.000 1.096 115 F CA 0.981 58.768 58.000 -0.354 0.000 1.255 115 F CB -0.288 38.529 39.000 -0.305 0.000 0.997 115 F HN 0.128 nan 8.300 nan 0.000 0.479 116 I N -0.628 120.043 120.570 0.167 0.000 2.353 116 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 116 I C 1.801 177.989 176.117 0.120 0.000 1.119 116 I CA 0.971 62.343 61.300 0.120 0.000 1.417 116 I CB -0.419 37.620 38.000 0.065 0.000 1.078 116 I HN 0.015 nan 8.210 nan 0.000 0.421 117 D N 0.177 120.649 120.400 0.120 0.000 2.144 117 D HA -0.220 4.420 4.640 -0.000 0.000 0.200 117 D C 1.904 178.272 176.300 0.113 0.000 0.978 117 D CA 1.227 55.290 54.000 0.104 0.000 0.833 117 D CB -0.248 40.611 40.800 0.099 0.000 0.961 117 D HN 0.333 nan 8.370 nan 0.000 0.470 118 Y N 1.493 121.841 120.300 0.080 0.000 2.128 118 Y HA -0.167 4.383 4.550 -0.000 0.000 0.284 118 Y C 2.320 178.259 175.900 0.064 0.000 1.154 118 Y CA 2.167 60.320 58.100 0.087 0.000 1.149 118 Y CB -0.592 37.944 38.460 0.126 0.000 0.976 118 Y HN -0.039 nan 8.280 nan 0.000 0.505 119 G N -0.589 108.242 108.800 0.051 0.000 2.491 119 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.218 119 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.218 119 G C 1.760 176.612 174.900 -0.079 0.000 1.180 119 G CA 1.344 46.427 45.100 -0.028 0.000 0.774 119 G HN 0.554 nan 8.290 nan 0.000 0.562 120 C N 0.708 119.995 119.300 -0.022 0.000 2.413 120 C HA -0.043 4.417 4.460 -0.000 0.000 0.277 120 C C 2.530 177.478 174.990 -0.069 0.000 1.265 120 C CA 0.824 59.831 59.018 -0.019 0.000 1.752 120 C CB -0.756 26.999 27.740 0.025 0.000 1.998 120 C HN 0.454 nan 8.230 nan 0.000 0.489 121 D N 0.744 121.074 120.400 -0.118 0.000 2.221 121 D HA -0.094 4.546 4.640 -0.000 0.000 0.204 121 D C 1.716 177.914 176.300 -0.171 0.000 0.982 121 D CA 1.012 54.927 54.000 -0.143 0.000 0.857 121 D CB -0.574 40.109 40.800 -0.195 0.000 0.934 121 D HN 0.589 nan 8.370 nan 0.000 0.475 122 N N -0.011 118.561 118.700 -0.214 0.000 2.398 122 N HA 0.075 4.815 4.740 -0.000 0.000 0.188 122 N C 1.553 177.003 175.510 -0.100 0.000 1.122 122 N CA 0.279 53.226 53.050 -0.172 0.000 0.866 122 N CB 0.492 38.857 38.487 -0.204 0.000 0.970 122 N HN 0.069 nan 8.380 nan 0.000 0.462 123 A N 1.282 124.053 122.820 -0.082 0.000 1.908 123 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 123 A C 1.974 179.524 177.584 -0.056 0.000 1.181 123 A CA 1.069 53.068 52.037 -0.062 0.000 0.627 123 A CB -0.449 18.518 19.000 -0.056 0.000 0.818 123 A HN 0.227 nan 8.150 nan 0.000 0.445 124 L N -0.345 120.846 121.223 -0.054 0.000 2.607 124 L HA 0.060 4.400 4.340 -0.000 0.000 0.228 124 L C 1.929 178.774 176.870 -0.042 0.000 1.123 124 L CA 1.000 55.813 54.840 -0.044 0.000 0.890 124 L CB -0.082 41.954 42.059 -0.039 0.000 1.103 124 L HN 0.617 nan 8.230 nan 0.000 0.468 125 T N -4.149 110.374 114.554 -0.051 0.000 2.975 125 T HA 0.284 4.634 4.350 -0.000 0.000 0.257 125 T C 0.705 175.376 174.700 -0.049 0.000 1.003 125 T CA -0.223 61.847 62.100 -0.050 0.000 0.932 125 T CB 0.071 68.903 68.868 -0.060 0.000 1.087 125 T HN -0.024 nan 8.240 nan 0.000 0.512 126 I N 3.486 124.028 120.570 -0.047 0.000 2.618 126 I HA 0.204 4.374 4.170 -0.000 0.000 0.284 126 I C 0.374 176.477 176.117 -0.023 0.000 1.146 126 I CA 0.196 61.475 61.300 -0.034 0.000 1.425 126 I CB 0.367 38.353 38.000 -0.023 0.000 1.383 126 I HN 0.466 nan 8.210 nan 0.000 0.562 127 E N 5.266 125.453 120.200 -0.022 0.000 2.367 127 E HA 0.673 5.022 4.350 -0.000 0.000 0.273 127 E C -0.635 175.955 176.600 -0.018 0.000 0.903 127 E CA -1.064 55.325 56.400 -0.018 0.000 0.764 127 E CB 1.840 31.526 29.700 -0.024 0.000 1.252 127 E HN 0.531 nan 8.360 nan 0.000 0.446 128 G N 0.899 109.687 108.800 -0.021 0.000 2.532 128 G HA2 0.426 4.386 3.960 -0.000 0.000 0.291 128 G HA3 0.426 4.386 3.960 -0.000 0.000 0.291 128 G C -0.858 174.004 174.900 -0.063 0.000 1.349 128 G CA -0.451 44.621 45.100 -0.045 0.000 1.038 128 G HN 0.567 nan 8.290 nan 0.000 0.518 129 D N -0.648 119.697 120.400 -0.091 0.000 2.619 129 D HA 0.481 5.121 4.640 -0.000 0.000 0.241 129 D C -0.570 175.652 176.300 -0.130 0.000 1.087 129 D CA -0.074 53.871 54.000 -0.092 0.000 0.851 129 D CB 2.458 43.209 40.800 -0.082 0.000 1.474 129 D HN 0.195 nan 8.370 nan 0.000 0.478 130 I N 1.604 122.087 120.570 -0.145 0.000 2.406 130 I HA 0.382 4.552 4.170 -0.000 0.000 0.290 130 I C -0.472 175.497 176.117 -0.246 0.000 0.999 130 I CA -0.623 60.520 61.300 -0.262 0.000 1.124 130 I CB 1.444 39.311 38.000 -0.222 0.000 1.289 130 I HN 0.040 nan 8.210 nan 0.000 0.441 131 L N 7.428 128.462 121.223 -0.315 0.000 2.341 131 L HA 0.633 4.973 4.340 -0.000 0.000 0.267 131 L C -2.274 174.470 176.870 -0.210 0.000 1.009 131 L CA -1.736 52.971 54.840 -0.221 0.000 0.819 131 L CB 2.346 44.286 42.059 -0.198 0.000 1.323 131 L HN 0.354 nan 8.230 nan 0.000 0.425 132 P HA 0.121 nan 4.420 nan 0.000 0.274 132 P C -1.047 176.205 177.300 -0.080 0.000 1.246 132 P CA -0.352 62.688 63.100 -0.100 0.000 0.795 132 P CB 1.565 33.227 31.700 -0.064 0.000 1.006 133 S N -0.222 115.449 115.700 -0.048 0.000 2.568 133 S HA 0.283 4.753 4.470 -0.000 0.000 0.302 133 S C 0.461 175.069 174.600 0.012 0.000 1.082 133 S CA -0.608 57.591 58.200 -0.001 0.000 1.009 133 S CB 0.626 63.841 63.200 0.025 0.000 1.069 133 S HN 0.207 nan 8.310 nan 0.000 0.500 134 D N 1.852 122.271 120.400 0.032 0.000 2.378 134 D HA 0.118 4.758 4.640 -0.000 0.000 0.227 134 D C -0.227 176.088 176.300 0.025 0.000 1.012 134 D CA 0.740 54.755 54.000 0.025 0.000 0.905 134 D CB -0.104 40.713 40.800 0.029 0.000 0.895 134 D HN 0.380 nan 8.370 nan 0.000 0.532 135 N N 1.151 119.871 118.700 0.034 0.000 2.399 135 N HA 0.154 4.894 4.740 -0.000 0.000 0.295 135 N C 0.098 175.622 175.510 0.023 0.000 1.048 135 N CA -0.359 52.708 53.050 0.029 0.000 0.886 135 N CB 1.483 39.994 38.487 0.041 0.000 1.185 135 N HN 0.049 nan 8.380 nan 0.000 0.487 136 Q N 0.406 120.216 119.800 0.017 0.000 2.432 136 Q HA 0.026 4.366 4.340 -0.000 0.000 0.264 136 Q C -0.416 175.596 176.000 0.020 0.000 1.035 136 Q CA 0.282 56.093 55.803 0.014 0.000 0.908 136 Q CB 0.526 29.270 28.738 0.011 0.000 1.280 136 Q HN 0.505 nan 8.270 nan 0.000 0.455 137 D N 0.931 121.342 120.400 0.018 0.000 2.723 137 D HA -0.191 4.449 4.640 -0.000 0.000 0.236 137 D C -0.432 175.891 176.300 0.037 0.000 1.138 137 D CA 1.268 55.283 54.000 0.025 0.000 0.676 137 D CB -0.723 40.092 40.800 0.026 0.000 1.069 137 D HN 0.612 nan 8.370 nan 0.000 0.430 138 E N -0.199 120.020 120.200 0.032 0.000 2.356 138 E HA 0.513 4.863 4.350 -0.000 0.000 0.275 138 E C -1.076 175.524 176.600 -0.001 0.000 0.904 138 E CA -0.745 55.682 56.400 0.046 0.000 0.757 138 E CB 1.915 31.657 29.700 0.070 0.000 1.232 138 E HN -0.074 nan 8.360 nan 0.000 0.442 139 K N 2.771 123.159 120.400 -0.021 0.000 2.426 139 K HA 0.525 4.845 4.320 -0.000 0.000 0.251 139 K C -0.950 175.483 176.600 -0.277 0.000 0.941 139 K CA -0.713 55.453 56.287 -0.203 0.000 0.808 139 K CB 1.857 34.164 32.500 -0.320 0.000 1.265 139 K HN 0.408 nan 8.250 nan 0.000 0.432 140 I N 2.320 122.631 120.570 -0.431 0.000 2.412 140 I HA 0.366 4.535 4.170 -0.000 0.000 0.296 140 I C -1.069 174.713 176.117 -0.559 0.000 0.987 140 I CA -0.837 60.176 61.300 -0.478 0.000 1.180 140 I CB 0.841 38.521 38.000 -0.532 0.000 1.340 140 I HN 0.433 nan 8.210 nan 0.000 0.455 141 Y N 5.618 125.776 120.300 -0.236 0.000 2.425 141 Y HA 0.618 5.168 4.550 -0.000 0.000 0.344 141 Y C -0.244 175.515 175.900 -0.235 0.000 0.969 141 Y CA -0.787 57.169 58.100 -0.240 0.000 1.052 141 Y CB 1.894 40.215 38.460 -0.231 0.000 1.215 141 Y HN 0.283 nan 8.280 nan 0.000 0.451 142 I N 4.251 124.751 120.570 -0.117 0.000 2.411 142 I HA 0.283 4.453 4.170 -0.000 0.000 0.284 142 I C -0.603 175.434 176.117 -0.133 0.000 1.012 142 I CA -0.625 60.632 61.300 -0.073 0.000 1.119 142 I CB 0.817 38.787 38.000 -0.050 0.000 1.261 142 I HN 0.608 nan 8.210 nan 0.000 0.448 143 H N 5.709 124.807 119.070 0.047 0.000 2.481 143 H HA 0.450 5.006 4.556 -0.000 0.000 0.339 143 H C -0.515 174.829 175.328 0.027 0.000 1.131 143 H CA -0.639 55.427 56.048 0.031 0.000 1.301 143 H CB 1.938 31.709 29.762 0.015 0.000 1.476 143 H HN 0.362 nan 8.280 nan 0.000 0.529 144 K N 2.169 122.651 120.400 0.137 0.000 2.206 144 K HA 0.434 4.754 4.320 -0.000 0.000 0.264 144 K C -0.351 176.302 176.600 0.088 0.000 0.967 144 K CA -0.690 55.653 56.287 0.093 0.000 0.844 144 K CB 2.239 34.776 32.500 0.062 0.000 1.099 144 K HN 0.399 nan 8.250 nan 0.000 0.441 145 V N -0.413 119.548 119.914 0.078 0.000 3.130 145 V HA 0.573 4.693 4.120 -0.000 0.000 0.310 145 V C -2.886 173.251 176.094 0.072 0.000 1.158 145 V CA -2.878 59.458 62.300 0.061 0.000 1.029 145 V CB 1.780 33.631 31.823 0.047 0.000 1.057 145 V HN 0.490 nan 8.190 nan 0.000 0.436 146 P HA 0.363 nan 4.420 nan 0.000 0.270 146 P C 0.258 177.614 177.300 0.093 0.000 1.223 146 P CA -0.132 63.027 63.100 0.099 0.000 0.785 146 P CB 0.571 32.333 31.700 0.103 0.000 0.923 147 R N 0.893 121.459 120.500 0.110 0.000 2.066 147 R HA 0.206 4.546 4.340 -0.000 0.000 0.224 147 R C 1.327 177.671 176.300 0.074 0.000 1.122 147 R CA 1.315 57.467 56.100 0.088 0.000 0.974 147 R CB -0.509 29.846 30.300 0.092 0.000 0.871 147 R HN 0.769 nan 8.270 nan 0.000 0.435 148 G N 0.101 108.953 108.800 0.087 0.000 2.152 148 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.058 148 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.058 148 G C -1.154 173.788 174.900 0.070 0.000 0.966 148 G CA -0.199 44.943 45.100 0.069 0.000 1.149 148 G HN 0.189 nan 8.290 nan 0.000 0.402 149 V N 1.426 121.365 119.914 0.041 0.000 2.465 149 V HA 0.762 4.882 4.120 -0.000 0.000 0.279 149 V C -0.124 175.996 176.094 0.043 0.000 1.045 149 V CA -0.552 61.766 62.300 0.030 0.000 0.938 149 V CB 1.131 32.953 31.823 -0.001 0.000 0.986 149 V HN 0.928 nan 8.190 nan 0.000 0.467 150 V N 6.607 126.559 119.914 0.062 0.000 2.483 150 V HA 0.442 4.562 4.120 -0.000 0.000 0.295 150 V C 0.023 176.153 176.094 0.060 0.000 1.035 150 V CA -0.518 61.836 62.300 0.089 0.000 0.896 150 V CB 1.841 33.775 31.823 0.184 0.000 0.986 150 V HN 0.783 nan 8.190 nan 0.000 0.447 151 V N 3.966 123.910 119.914 0.050 0.000 2.383 151 V HA 0.632 4.752 4.120 -0.000 0.000 0.275 151 V C 0.743 176.872 176.094 0.058 0.000 1.036 151 V CA -0.166 62.157 62.300 0.038 0.000 0.889 151 V CB 1.493 33.327 31.823 0.018 0.000 0.985 151 V HN 0.980 nan 8.190 nan 0.000 0.459 152 G N 5.416 114.251 108.800 0.058 0.000 2.368 152 G HA2 0.714 4.674 3.960 -0.000 0.000 0.320 152 G HA3 0.714 4.674 3.960 -0.000 0.000 0.320 152 G C -0.860 174.070 174.900 0.049 0.000 1.158 152 G CA -0.438 44.701 45.100 0.064 0.000 0.912 152 G HN 0.626 nan 8.290 nan 0.000 0.456 153 I N 2.441 123.039 120.570 0.047 0.000 2.410 153 I HA 0.305 4.475 4.170 -0.000 0.000 0.286 153 I C 0.461 176.601 176.117 0.038 0.000 1.009 153 I CA -0.666 60.659 61.300 0.042 0.000 1.111 153 I CB 2.225 40.248 38.000 0.039 0.000 1.262 153 I HN 0.572 nan 8.210 nan 0.000 0.443 154 T N 2.499 117.078 114.554 0.042 0.000 2.936 154 T HA 0.853 5.203 4.350 -0.000 0.000 0.282 154 T C 0.039 174.760 174.700 0.035 0.000 1.003 154 T CA -0.738 61.384 62.100 0.037 0.000 1.005 154 T CB 2.132 71.028 68.868 0.046 0.000 1.097 154 T HN 0.554 nan 8.240 nan 0.000 0.532 155 A N 0.621 123.448 122.820 0.012 0.000 2.261 155 A HA 0.611 4.931 4.320 -0.000 0.000 0.323 155 A C 0.947 178.546 177.584 0.025 0.000 1.107 155 A CA -1.070 50.932 52.037 -0.058 0.000 0.883 155 A CB 0.433 19.318 19.000 -0.192 0.000 1.251 155 A HN 1.122 nan 8.150 nan 0.000 0.502 156 W N 0.429 121.762 121.300 0.054 0.000 3.003 156 W HA -0.014 4.645 4.660 -0.000 0.000 0.257 156 W C 0.889 177.412 176.519 0.006 0.000 1.308 156 W CA 0.704 58.066 57.345 0.029 0.000 1.529 156 W CB -0.461 29.005 29.460 0.011 0.000 1.115 156 W HN 0.832 nan 8.180 nan 0.000 0.659 157 N N 1.894 120.578 118.700 -0.027 0.000 2.250 157 N HA -0.138 4.602 4.740 -0.000 0.000 0.181 157 N C -0.144 175.092 175.510 -0.458 0.000 1.017 157 N CA 0.737 53.706 53.050 -0.135 0.000 0.866 157 N CB -1.119 37.225 38.487 -0.237 0.000 0.985 157 N HN 0.098 nan 8.380 nan 0.000 0.429 158 F N 0.058 120.050 119.950 0.071 0.000 2.710 158 F HA 0.446 4.973 4.527 -0.000 0.000 0.345 158 F C -1.862 173.975 175.800 0.062 0.000 1.362 158 F CA -1.999 56.044 58.000 0.072 0.000 1.175 158 F CB 2.092 41.129 39.000 0.063 0.000 1.561 158 F HN -0.142 nan 8.300 nan 0.000 0.593 159 P HA -0.166 nan 4.420 nan 0.000 0.215 159 P C 1.895 179.265 177.300 0.117 0.000 1.153 159 P CA 1.050 64.228 63.100 0.131 0.000 0.853 159 P CB 0.666 32.434 31.700 0.113 0.000 0.788 160 L N -0.648 120.654 121.223 0.132 0.000 2.068 160 L HA 0.074 4.414 4.340 -0.000 0.000 0.204 160 L C 2.449 179.383 176.870 0.107 0.000 1.076 160 L CA 1.646 56.549 54.840 0.104 0.000 0.753 160 L CB -1.508 40.609 42.059 0.097 0.000 0.910 160 L HN -0.145 nan 8.230 nan 0.000 0.439 161 A N -0.628 122.296 122.820 0.172 0.000 1.908 161 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 161 A C 2.209 179.796 177.584 0.004 0.000 1.181 161 A CA 1.941 54.092 52.037 0.191 0.000 0.627 161 A CB -0.895 18.255 19.000 0.250 0.000 0.818 161 A HN 0.449 nan 8.150 nan 0.000 0.445 162 L N -1.051 120.177 121.223 0.008 0.000 2.217 162 L HA -0.109 4.231 4.340 -0.000 0.000 0.211 162 L C 3.006 179.807 176.870 -0.114 0.000 1.107 162 L CA 0.657 55.436 54.840 -0.101 0.000 0.783 162 L CB -0.550 41.508 42.059 -0.001 0.000 0.919 162 L HN 0.450 nan 8.230 nan 0.000 0.442 163 A N 0.729 123.528 122.820 -0.036 0.000 1.835 163 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 163 A C 2.439 179.990 177.584 -0.054 0.000 1.199 163 A CA 1.720 53.749 52.037 -0.014 0.000 0.615 163 A CB -1.432 17.590 19.000 0.036 0.000 0.838 163 A HN 0.385 nan 8.150 nan 0.000 0.444 164 G N -0.695 108.072 108.800 -0.055 0.000 2.469 164 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.219 164 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.219 164 G C 1.709 176.487 174.900 -0.203 0.000 1.150 164 G CA 1.262 46.333 45.100 -0.047 0.000 0.763 164 G HN 0.576 nan 8.290 nan 0.000 0.561 165 R N 0.413 120.528 120.500 -0.640 0.000 2.139 165 R HA -0.106 4.234 4.340 -0.000 0.000 0.243 165 R C 2.278 178.351 176.300 -0.379 0.000 1.145 165 R CA 1.810 57.259 56.100 -1.085 0.000 0.976 165 R CB -0.092 29.423 30.300 -1.309 0.000 0.866 165 R HN 0.377 nan 8.270 nan 0.000 0.449 166 K N -0.927 119.357 120.400 -0.193 0.000 2.262 166 K HA 0.121 4.441 4.320 -0.000 0.000 0.200 166 K C 2.021 178.583 176.600 -0.064 0.000 1.058 166 K CA 0.424 56.684 56.287 -0.044 0.000 0.974 166 K CB 0.119 32.635 32.500 0.027 0.000 0.910 166 K HN 0.057 nan 8.250 nan 0.000 0.484 167 I N 1.665 122.218 120.570 -0.029 0.000 2.118 167 I HA -0.272 3.898 4.170 -0.000 0.000 0.241 167 I C 2.476 178.593 176.117 -0.001 0.000 1.070 167 I CA 1.734 63.045 61.300 0.019 0.000 1.327 167 I CB -0.856 37.218 38.000 0.125 0.000 1.034 167 I HN 0.295 nan 8.210 nan 0.000 0.405 168 G N 1.831 110.637 108.800 0.009 0.000 2.628 168 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 168 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 168 G C -0.469 174.398 174.900 -0.055 0.000 1.240 168 G CA 1.361 46.478 45.100 0.029 0.000 0.792 168 G HN 0.312 nan 8.290 nan 0.000 0.593 169 P HA -0.028 nan 4.420 nan 0.000 0.216 169 P C 2.116 179.042 177.300 -0.623 0.000 1.153 169 P CA 2.133 65.016 63.100 -0.362 0.000 0.848 169 P CB -0.275 31.180 31.700 -0.407 0.000 0.787 170 A N 0.612 122.941 122.820 -0.819 0.000 1.865 170 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 170 A C 2.469 180.025 177.584 -0.046 0.000 1.191 170 A CA 1.766 53.547 52.037 -0.427 0.000 0.623 170 A CB -1.626 17.291 19.000 -0.139 0.000 0.826 170 A HN 0.122 nan 8.150 nan 0.000 0.444 171 L N -1.440 119.796 121.223 0.022 0.000 2.109 171 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 171 L C 2.494 179.595 176.870 0.385 0.000 1.086 171 L CA 0.853 55.838 54.840 0.242 0.000 0.760 171 L CB -0.484 41.666 42.059 0.151 0.000 0.910 171 L HN 0.386 nan 8.230 nan 0.000 0.437 172 I N 0.570 121.242 120.570 0.170 0.000 2.361 172 I HA -0.241 3.929 4.170 -0.000 0.000 0.251 172 I C 2.368 178.514 176.117 0.048 0.000 1.133 172 I CA 1.732 63.093 61.300 0.101 0.000 1.413 172 I CB -0.168 37.851 38.000 0.032 0.000 1.073 172 I HN 0.286 nan 8.210 nan 0.000 0.424 173 T N -2.395 112.197 114.554 0.064 0.000 3.169 173 T HA 0.358 4.708 4.350 -0.000 0.000 0.250 173 T C 1.407 176.159 174.700 0.088 0.000 1.111 173 T CA 0.267 62.403 62.100 0.061 0.000 1.010 173 T CB -0.284 68.639 68.868 0.091 0.000 0.984 173 T HN 0.570 nan 8.240 nan 0.000 0.537 174 G N 1.406 110.296 108.800 0.151 0.000 2.141 174 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.231 174 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.231 174 G C -0.156 174.964 174.900 0.367 0.000 0.984 174 G CA -0.416 44.774 45.100 0.150 0.000 0.660 174 G HN 0.588 nan 8.290 nan 0.000 0.525 175 N N 0.771 119.674 118.700 0.339 0.000 2.463 175 N HA 0.561 5.301 4.740 -0.000 0.000 0.270 175 N C 0.570 176.177 175.510 0.161 0.000 1.205 175 N CA 0.663 53.857 53.050 0.240 0.000 0.974 175 N CB 1.185 39.784 38.487 0.187 0.000 1.197 175 N HN 0.506 nan 8.380 nan 0.000 0.504 176 T N -2.409 112.165 114.554 0.033 0.000 2.952 176 T HA 0.664 5.014 4.350 -0.000 0.000 0.286 176 T C -0.071 174.589 174.700 -0.066 0.000 1.024 176 T CA -0.881 61.138 62.100 -0.135 0.000 1.029 176 T CB 1.673 70.448 68.868 -0.156 0.000 1.094 176 T HN 0.487 nan 8.240 nan 0.000 0.515 177 M N 1.819 121.360 119.600 -0.100 0.000 2.393 177 M HA 0.600 5.080 4.480 -0.000 0.000 0.299 177 M C -2.043 174.235 176.300 -0.036 0.000 1.103 177 M CA -0.865 54.412 55.300 -0.038 0.000 0.910 177 M CB 2.003 34.589 32.600 -0.024 0.000 1.659 177 M HN 0.523 nan 8.290 nan 0.000 0.445 178 V N 5.598 125.507 119.914 -0.009 0.000 2.328 178 V HA 0.401 4.521 4.120 -0.000 0.000 0.278 178 V C -0.756 175.350 176.094 0.020 0.000 1.021 178 V CA -0.706 61.593 62.300 -0.001 0.000 0.838 178 V CB 1.108 32.927 31.823 -0.006 0.000 0.999 178 V HN 0.756 nan 8.190 nan 0.000 0.447 179 L N 5.741 126.983 121.223 0.031 0.000 2.282 179 L HA 0.552 4.892 4.340 -0.000 0.000 0.288 179 L C -0.152 176.748 176.870 0.050 0.000 1.033 179 L CA 0.147 55.013 54.840 0.044 0.000 0.807 179 L CB 1.040 43.129 42.059 0.050 0.000 1.209 179 L HN 0.536 nan 8.230 nan 0.000 0.423 180 K N 7.758 128.187 120.400 0.048 0.000 2.464 180 K HA 0.498 4.818 4.320 -0.000 0.000 0.252 180 K C -2.674 173.959 176.600 0.055 0.000 1.000 180 K CA -1.856 54.461 56.287 0.049 0.000 0.951 180 K CB 1.370 33.895 32.500 0.041 0.000 1.183 180 K HN 0.431 nan 8.250 nan 0.000 0.445 181 P HA 0.036 nan 4.420 nan 0.000 0.274 181 P C -0.236 177.108 177.300 0.072 0.000 1.246 181 P CA -0.254 62.887 63.100 0.070 0.000 0.795 181 P CB 0.515 32.257 31.700 0.071 0.000 1.006 182 T N -2.113 112.497 114.554 0.094 0.000 2.900 182 T HA 0.026 4.376 4.350 -0.000 0.000 0.307 182 T C 1.466 176.208 174.700 0.070 0.000 1.065 182 T CA -0.232 61.931 62.100 0.106 0.000 1.105 182 T CB 0.141 69.124 68.868 0.192 0.000 0.979 182 T HN 0.573 nan 8.240 nan 0.000 0.544 183 Q N 0.711 120.540 119.800 0.050 0.000 2.364 183 Q HA -0.108 4.232 4.340 -0.000 0.000 0.207 183 Q C 1.405 177.397 176.000 -0.014 0.000 0.970 183 Q CA 1.054 56.866 55.803 0.015 0.000 0.888 183 Q CB -0.035 28.708 28.738 0.009 0.000 0.951 183 Q HN 0.790 nan 8.270 nan 0.000 0.469 184 E N 1.275 121.468 120.200 -0.011 0.000 2.170 184 E HA -0.034 4.316 4.350 -0.000 0.000 0.191 184 E C 0.578 177.144 176.600 -0.057 0.000 0.981 184 E CA 1.452 57.807 56.400 -0.075 0.000 0.830 184 E CB 0.607 30.210 29.700 -0.162 0.000 0.775 184 E HN 0.530 nan 8.360 nan 0.000 0.470 185 T N -1.330 113.233 114.554 0.015 0.000 3.734 185 T HA 0.285 4.635 4.350 -0.000 0.000 0.238 185 T C -2.627 172.093 174.700 0.033 0.000 1.205 185 T CA -1.352 60.762 62.100 0.024 0.000 1.606 185 T CB 1.309 70.237 68.868 0.100 0.000 0.832 185 T HN -0.160 nan 8.240 nan 0.000 0.655 186 P HA 0.342 nan 4.420 nan 0.000 0.259 186 P C 1.528 178.839 177.300 0.019 0.000 1.233 186 P CA -0.257 62.855 63.100 0.021 0.000 0.827 186 P CB 0.351 32.060 31.700 0.015 0.000 1.154 187 L N -0.289 120.914 121.223 -0.035 0.000 2.027 187 L HA -0.072 4.268 4.340 -0.000 0.000 0.206 187 L C 2.549 179.485 176.870 0.111 0.000 1.074 187 L CA 1.827 56.657 54.840 -0.017 0.000 0.745 187 L CB -1.268 40.619 42.059 -0.287 0.000 0.898 187 L HN -0.051 nan 8.230 nan 0.000 0.433 188 A N -0.465 122.419 122.820 0.107 0.000 1.930 188 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 188 A C 2.346 179.988 177.584 0.097 0.000 1.175 188 A CA 2.033 54.142 52.037 0.121 0.000 0.627 188 A CB -0.787 18.276 19.000 0.105 0.000 0.815 188 A HN 0.371 nan 8.150 nan 0.000 0.443 189 T N -0.060 114.546 114.554 0.088 0.000 2.746 189 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 189 T C 1.931 176.688 174.700 0.096 0.000 1.039 189 T CA 1.937 64.088 62.100 0.085 0.000 1.142 189 T CB -0.471 68.445 68.868 0.081 0.000 0.866 189 T HN 0.546 nan 8.240 nan 0.000 0.444 190 T N 1.453 116.077 114.554 0.117 0.000 2.915 190 T HA -0.050 4.300 4.350 -0.000 0.000 0.269 190 T C 1.894 176.721 174.700 0.211 0.000 1.071 190 T CA 1.016 63.220 62.100 0.174 0.000 1.132 190 T CB -0.194 68.784 68.868 0.184 0.000 0.878 190 T HN 0.335 nan 8.240 nan 0.000 0.479 191 E N 1.319 121.610 120.200 0.151 0.000 2.204 191 E HA -0.028 4.322 4.350 -0.000 0.000 0.195 191 E C 1.847 178.498 176.600 0.086 0.000 0.990 191 E CA 0.677 57.154 56.400 0.128 0.000 0.821 191 E CB -0.636 29.121 29.700 0.096 0.000 0.750 191 E HN 0.464 nan 8.360 nan 0.000 0.477 192 L N -0.668 120.589 121.223 0.057 0.000 2.261 192 L HA -0.124 4.216 4.340 -0.000 0.000 0.216 192 L C 2.295 179.083 176.870 -0.137 0.000 1.114 192 L CA 0.984 55.859 54.840 0.059 0.000 0.777 192 L CB -0.725 41.413 42.059 0.132 0.000 0.910 192 L HN 0.322 nan 8.230 nan 0.000 0.440 193 G N 0.029 108.549 108.800 -0.467 0.000 2.421 193 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.216 193 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.216 193 G C 1.713 175.946 174.900 -1.112 0.000 1.171 193 G CA 0.781 44.877 45.100 -1.673 0.000 0.775 193 G HN 0.305 nan 8.290 nan 0.000 0.543 194 R N 0.152 120.476 120.500 -0.293 0.000 2.083 194 R HA -0.028 4.312 4.340 -0.000 0.000 0.237 194 R C 2.572 178.867 176.300 -0.008 0.000 1.137 194 R CA 1.539 57.650 56.100 0.017 0.000 0.951 194 R CB -0.402 30.002 30.300 0.175 0.000 0.851 194 R HN 0.418 nan 8.270 nan 0.000 0.434 195 I N 0.946 121.532 120.570 0.027 0.000 2.226 195 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 195 I C 2.622 178.847 176.117 0.180 0.000 1.100 195 I CA 1.330 62.715 61.300 0.141 0.000 1.374 195 I CB -0.350 37.767 38.000 0.195 0.000 1.057 195 I HN 0.334 nan 8.210 nan 0.000 0.413 196 A N 0.336 123.160 122.820 0.007 0.000 1.902 196 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 196 A C 2.391 179.875 177.584 -0.167 0.000 1.181 196 A CA 1.632 53.440 52.037 -0.382 0.000 0.623 196 A CB -0.475 18.135 19.000 -0.650 0.000 0.818 196 A HN 0.290 nan 8.150 nan 0.000 0.443 197 K N -0.348 120.010 120.400 -0.071 0.000 2.026 197 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 197 K C 1.873 178.498 176.600 0.042 0.000 1.048 197 K CA 1.735 58.049 56.287 0.044 0.000 0.929 197 K CB -0.182 32.392 32.500 0.123 0.000 0.713 197 K HN 0.641 nan 8.250 nan 0.000 0.439 198 E N -0.394 119.838 120.200 0.054 0.000 2.268 198 E HA -0.134 4.216 4.350 -0.000 0.000 0.195 198 E C 1.440 178.084 176.600 0.074 0.000 0.995 198 E CA 0.715 57.156 56.400 0.069 0.000 0.836 198 E CB 0.063 29.812 29.700 0.081 0.000 0.763 198 E HN 0.302 nan 8.360 nan 0.000 0.491 199 A N 0.336 123.202 122.820 0.077 0.000 2.251 199 A HA 0.277 4.597 4.320 -0.000 0.000 0.209 199 A C 1.652 179.273 177.584 0.062 0.000 1.187 199 A CA 0.651 52.746 52.037 0.096 0.000 0.823 199 A CB -0.182 18.920 19.000 0.169 0.000 0.846 199 A HN 0.290 nan 8.150 nan 0.000 0.486 200 G N -1.296 107.527 108.800 0.038 0.000 2.160 200 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.244 200 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.244 200 G C -0.068 174.851 174.900 0.033 0.000 1.022 200 G CA 0.208 45.331 45.100 0.040 0.000 0.741 200 G HN 0.486 nan 8.290 nan 0.000 0.508 201 L N 1.468 122.675 121.223 -0.026 0.000 2.410 201 L HA 0.469 4.809 4.340 -0.000 0.000 0.273 201 L C -1.385 175.451 176.870 -0.057 0.000 1.144 201 L CA -1.401 53.393 54.840 -0.077 0.000 0.863 201 L CB 0.367 42.262 42.059 -0.273 0.000 1.140 201 L HN -0.031 nan 8.230 nan 0.000 0.463 202 P HA -0.002 nan 4.420 nan 0.000 0.264 202 P C -1.077 176.170 177.300 -0.089 0.000 1.183 202 P CA -0.185 62.913 63.100 -0.003 0.000 0.763 202 P CB 0.278 32.044 31.700 0.109 0.000 0.807 203 D N 2.122 122.480 120.400 -0.071 0.000 2.531 203 D HA 0.232 4.872 4.640 -0.000 0.000 0.239 203 D C 1.645 177.859 176.300 -0.142 0.000 1.144 203 D CA 1.934 55.864 54.000 -0.118 0.000 0.869 203 D CB -0.054 40.682 40.800 -0.105 0.000 1.160 203 D HN 0.652 nan 8.370 nan 0.000 0.484 204 G N 1.044 109.730 108.800 -0.190 0.000 2.195 204 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.246 204 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.246 204 G C 1.220 175.996 174.900 -0.207 0.000 0.984 204 G CA 0.225 45.216 45.100 -0.181 0.000 0.633 204 G HN 0.455 nan 8.290 nan 0.000 0.525 205 V N -0.170 119.569 119.914 -0.291 0.000 2.379 205 V HA 0.274 4.394 4.120 -0.000 0.000 0.245 205 V C 1.193 177.043 176.094 -0.407 0.000 1.044 205 V CA 1.963 63.963 62.300 -0.500 0.000 1.036 205 V CB 0.028 31.298 31.823 -0.921 0.000 0.664 205 V HN 0.505 nan 8.190 nan 0.000 0.453 206 L N 1.503 122.552 121.223 -0.290 0.000 2.349 206 L HA 0.547 4.887 4.340 -0.000 0.000 0.278 206 L C -0.808 176.054 176.870 -0.013 0.000 0.996 206 L CA -0.031 54.711 54.840 -0.165 0.000 0.825 206 L CB 1.392 43.325 42.059 -0.210 0.000 1.243 206 L HN 0.122 nan 8.230 nan 0.000 0.412 207 N N 4.311 123.011 118.700 -0.000 0.000 2.284 207 N HA 0.523 5.263 4.740 -0.000 0.000 0.300 207 N C -1.440 174.120 175.510 0.084 0.000 1.047 207 N CA -0.433 52.645 53.050 0.046 0.000 0.821 207 N CB 2.815 41.278 38.487 -0.041 0.000 1.337 207 N HN 0.318 nan 8.380 nan 0.000 0.482 208 V N 2.891 122.896 119.914 0.151 0.000 2.357 208 V HA 0.461 4.581 4.120 -0.000 0.000 0.284 208 V C 0.068 176.228 176.094 0.110 0.000 1.018 208 V CA -0.715 61.661 62.300 0.126 0.000 0.841 208 V CB 1.440 33.349 31.823 0.142 0.000 0.991 208 V HN 0.578 nan 8.190 nan 0.000 0.437 209 I N 5.280 125.895 120.570 0.075 0.000 2.474 209 I HA 0.551 4.721 4.170 -0.000 0.000 0.294 209 I C -0.329 175.824 176.117 0.060 0.000 1.005 209 I CA -0.172 61.164 61.300 0.060 0.000 1.113 209 I CB 1.449 39.469 38.000 0.034 0.000 1.289 209 I HN 0.566 nan 8.210 nan 0.000 0.436 210 N N 4.691 123.426 118.700 0.060 0.000 2.404 210 N HA 0.838 5.578 4.740 -0.000 0.000 0.297 210 N C -0.270 175.262 175.510 0.037 0.000 1.163 210 N CA -0.198 52.883 53.050 0.052 0.000 0.864 210 N CB 2.046 40.569 38.487 0.059 0.000 1.247 210 N HN 0.931 nan 8.380 nan 0.000 0.510 211 G N -0.634 108.185 108.800 0.031 0.000 2.325 211 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.285 211 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.285 211 G C -0.831 174.082 174.900 0.023 0.000 1.303 211 G CA -0.548 44.567 45.100 0.023 0.000 0.970 211 G HN 0.623 nan 8.290 nan 0.000 0.490 212 T N -0.931 113.634 114.554 0.019 0.000 2.898 212 T HA 0.503 4.853 4.350 -0.000 0.000 0.301 212 T C 1.819 176.533 174.700 0.024 0.000 1.049 212 T CA 0.908 63.020 62.100 0.019 0.000 1.095 212 T CB 1.314 70.191 68.868 0.014 0.000 0.976 212 T HN 1.926 nan 8.240 nan 0.000 0.539 213 G N 1.157 109.974 108.800 0.029 0.000 2.418 213 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 213 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 213 G C 1.815 176.729 174.900 0.025 0.000 1.158 213 G CA 0.887 46.006 45.100 0.031 0.000 0.771 213 G HN 0.996 nan 8.290 nan 0.000 0.545 214 S N -0.441 115.271 115.700 0.021 0.000 2.447 214 S HA 0.043 4.513 4.470 -0.000 0.000 0.233 214 S C 1.959 176.568 174.600 0.016 0.000 1.006 214 S CA 1.372 59.582 58.200 0.018 0.000 0.957 214 S CB 0.095 63.304 63.200 0.015 0.000 0.773 214 S HN 0.133 nan 8.310 nan 0.000 0.507 215 V N 0.184 120.107 119.914 0.015 0.000 2.840 215 V HA 0.138 4.258 4.120 -0.000 0.000 0.234 215 V C 2.446 178.547 176.094 0.013 0.000 1.159 215 V CA 0.692 62.999 62.300 0.013 0.000 1.194 215 V CB -0.204 31.625 31.823 0.011 0.000 0.971 215 V HN 0.365 nan 8.190 nan 0.000 0.494 216 V N 1.298 121.221 119.914 0.015 0.000 2.270 216 V HA -0.118 4.002 4.120 -0.000 0.000 0.245 216 V C 2.662 178.765 176.094 0.015 0.000 1.043 216 V CA 2.516 64.825 62.300 0.015 0.000 1.014 216 V CB -1.315 30.519 31.823 0.019 0.000 0.645 216 V HN 0.597 nan 8.190 nan 0.000 0.447 217 G N -1.315 107.497 108.800 0.019 0.000 2.418 217 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 217 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 217 G C 1.518 176.427 174.900 0.015 0.000 1.158 217 G CA 0.531 45.642 45.100 0.020 0.000 0.771 217 G HN 0.395 nan 8.290 nan 0.000 0.545 218 Q N 0.275 120.085 119.800 0.016 0.000 2.112 218 Q HA -0.111 4.229 4.340 -0.000 0.000 0.206 218 Q C 2.843 178.850 176.000 0.011 0.000 0.987 218 Q CA 1.858 57.670 55.803 0.015 0.000 0.858 218 Q CB -0.938 27.810 28.738 0.017 0.000 0.905 218 Q HN 0.461 nan 8.270 nan 0.000 0.420 219 T N 1.600 116.158 114.554 0.007 0.000 2.746 219 T HA -0.074 4.276 4.350 -0.000 0.000 0.267 219 T C 2.062 176.755 174.700 -0.012 0.000 1.039 219 T CA 0.832 62.931 62.100 -0.001 0.000 1.142 219 T CB -0.203 68.664 68.868 -0.002 0.000 0.866 219 T HN 0.184 nan 8.240 nan 0.000 0.444 220 L N 0.376 121.594 121.223 -0.008 0.000 2.046 220 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 220 L C 2.798 179.656 176.870 -0.020 0.000 1.077 220 L CA 0.981 55.813 54.840 -0.015 0.000 0.747 220 L CB -0.651 41.406 42.059 -0.003 0.000 0.896 220 L HN 0.373 nan 8.230 nan 0.000 0.432 221 C N -0.336 118.960 119.300 -0.008 0.000 2.446 221 C HA -0.090 4.370 4.460 -0.000 0.000 0.279 221 C C 2.511 177.499 174.990 -0.004 0.000 1.366 221 C CA 0.462 59.476 59.018 -0.007 0.000 1.763 221 C CB -0.721 27.020 27.740 0.003 0.000 1.929 221 C HN 0.494 nan 8.230 nan 0.000 0.509 222 E N 0.175 120.376 120.200 0.001 0.000 2.318 222 E HA -0.025 4.325 4.350 -0.000 0.000 0.193 222 E C 1.025 177.585 176.600 -0.066 0.000 0.998 222 E CA -0.006 56.413 56.400 0.032 0.000 0.859 222 E CB 0.070 29.799 29.700 0.048 0.000 0.812 222 E HN 0.389 nan 8.360 nan 0.000 0.492 223 S N 1.554 117.175 115.700 -0.130 0.000 2.560 223 S HA 0.026 4.496 4.470 -0.000 0.000 0.284 223 S C -1.568 172.755 174.600 -0.461 0.000 1.327 223 S CA -1.331 56.722 58.200 -0.244 0.000 1.055 223 S CB 0.739 63.852 63.200 -0.146 0.000 0.868 223 S HN -0.036 nan 8.310 nan 0.000 0.506 224 P HA 0.028 nan 4.420 nan 0.000 0.233 224 P C 1.246 178.376 177.300 -0.284 0.000 1.167 224 P CA 0.703 63.388 63.100 -0.692 0.000 0.770 224 P CB -0.014 31.297 31.700 -0.649 0.000 0.837 225 I N -0.415 120.033 120.570 -0.203 0.000 2.353 225 I HA -0.081 4.089 4.170 -0.000 0.000 0.248 225 I C 0.640 176.707 176.117 -0.083 0.000 1.119 225 I CA 0.844 62.078 61.300 -0.111 0.000 1.417 225 I CB -1.086 36.863 38.000 -0.085 0.000 1.078 225 I HN -0.117 nan 8.210 nan 0.000 0.421 226 T N 3.091 117.587 114.554 -0.098 0.000 2.784 226 T HA 0.034 4.384 4.350 -0.000 0.000 0.291 226 T C 1.035 175.710 174.700 -0.041 0.000 0.942 226 T CA -0.022 62.043 62.100 -0.058 0.000 1.161 226 T CB 0.693 69.525 68.868 -0.060 0.000 0.885 226 T HN 0.088 nan 8.240 nan 0.000 0.534 227 K N 2.511 122.906 120.400 -0.009 0.000 2.358 227 K HA 0.353 4.673 4.320 -0.000 0.000 0.197 227 K C 0.229 176.837 176.600 0.013 0.000 1.025 227 K CA 0.192 56.484 56.287 0.008 0.000 1.104 227 K CB 0.388 32.904 32.500 0.026 0.000 0.855 227 K HN 0.616 nan 8.250 nan 0.000 0.531 228 M N 0.779 120.384 119.600 0.009 0.000 2.415 228 M HA 0.243 4.723 4.480 -0.000 0.000 0.292 228 M C -2.025 174.279 176.300 0.006 0.000 1.107 228 M CA -0.369 54.931 55.300 0.001 0.000 0.927 228 M CB 1.404 34.008 32.600 0.006 0.000 1.808 228 M HN -0.240 nan 8.290 nan 0.000 0.509 229 I N 2.586 123.150 120.570 -0.010 0.000 2.406 229 I HA 0.398 4.568 4.170 -0.000 0.000 0.290 229 I C -0.102 176.024 176.117 0.016 0.000 0.999 229 I CA -0.438 60.866 61.300 0.006 0.000 1.124 229 I CB 1.607 39.603 38.000 -0.007 0.000 1.289 229 I HN 0.681 nan 8.210 nan 0.000 0.441 230 T N 7.897 122.479 114.554 0.048 0.000 2.786 230 T HA 0.586 4.936 4.350 -0.000 0.000 0.283 230 T C -0.677 174.064 174.700 0.069 0.000 0.992 230 T CA -0.500 61.639 62.100 0.066 0.000 0.954 230 T CB 0.865 69.805 68.868 0.121 0.000 0.934 230 T HN 0.571 nan 8.240 nan 0.000 0.440 231 M N 4.591 124.231 119.600 0.067 0.000 2.386 231 M HA 0.472 4.952 4.480 -0.000 0.000 0.293 231 M C -1.552 174.781 176.300 0.054 0.000 1.120 231 M CA -0.248 55.085 55.300 0.055 0.000 0.909 231 M CB 2.056 34.686 32.600 0.050 0.000 1.661 231 M HN 0.633 nan 8.290 nan 0.000 0.452 232 T N 3.023 117.598 114.554 0.033 0.000 2.829 232 T HA 0.928 5.278 4.350 -0.000 0.000 0.280 232 T C 0.004 174.693 174.700 -0.018 0.000 0.999 232 T CA -0.202 61.909 62.100 0.019 0.000 0.983 232 T CB 1.853 70.728 68.868 0.013 0.000 0.968 232 T HN 0.991 nan 8.240 nan 0.000 0.446 233 G N 1.382 110.151 108.800 -0.051 0.000 2.360 233 G HA2 0.453 4.413 3.960 -0.000 0.000 0.276 233 G HA3 0.453 4.413 3.960 -0.000 0.000 0.276 233 G C -0.670 174.150 174.900 -0.133 0.000 1.256 233 G CA -0.285 44.749 45.100 -0.110 0.000 0.890 233 G HN 0.970 nan 8.290 nan 0.000 0.486 234 S N -0.715 114.911 115.700 -0.122 0.000 2.603 234 S HA 0.483 4.953 4.470 -0.000 0.000 0.268 234 S C 1.331 175.922 174.600 -0.015 0.000 1.317 234 S CA 0.997 59.134 58.200 -0.104 0.000 1.012 234 S CB 1.391 64.541 63.200 -0.083 0.000 0.926 234 S HN 0.791 nan 8.310 nan 0.000 0.539 235 T N 1.888 116.458 114.554 0.027 0.000 2.684 235 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 235 T C 1.870 176.604 174.700 0.057 0.000 1.036 235 T CA 1.652 63.803 62.100 0.085 0.000 1.148 235 T CB -0.514 68.469 68.868 0.193 0.000 0.863 235 T HN 0.498 nan 8.240 nan 0.000 0.436 236 V N 1.809 121.751 119.914 0.047 0.000 2.255 236 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 236 V C 2.889 179.002 176.094 0.032 0.000 1.051 236 V CA 1.920 64.241 62.300 0.035 0.000 1.018 236 V CB -1.328 30.515 31.823 0.032 0.000 0.641 236 V HN 0.543 nan 8.190 nan 0.000 0.445 237 A N 0.498 123.335 122.820 0.029 0.000 1.908 237 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 237 A C 2.409 180.017 177.584 0.040 0.000 1.181 237 A CA 2.091 54.146 52.037 0.031 0.000 0.627 237 A CB -1.271 17.744 19.000 0.026 0.000 0.818 237 A HN 0.565 nan 8.150 nan 0.000 0.445 238 G N -0.488 108.340 108.800 0.046 0.000 2.408 238 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 238 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 238 G C 1.654 176.604 174.900 0.084 0.000 1.150 238 G CA 1.014 46.154 45.100 0.068 0.000 0.776 238 G HN 0.580 nan 8.290 nan 0.000 0.542 239 K N 0.115 120.552 120.400 0.061 0.000 2.097 239 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 239 K C 2.705 179.346 176.600 0.067 0.000 1.049 239 K CA 1.180 57.497 56.287 0.050 0.000 0.933 239 K CB -0.139 32.370 32.500 0.014 0.000 0.717 239 K HN 0.379 nan 8.250 nan 0.000 0.442 240 Q N 0.473 120.305 119.800 0.053 0.000 2.084 240 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 240 Q C 2.157 178.187 176.000 0.050 0.000 0.978 240 Q CA 1.210 57.040 55.803 0.046 0.000 0.844 240 Q CB -0.101 28.658 28.738 0.034 0.000 0.898 240 Q HN 0.370 nan 8.270 nan 0.000 0.426 241 I N -0.481 120.122 120.570 0.054 0.000 2.315 241 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 241 I C 2.129 178.259 176.117 0.021 0.000 1.117 241 I CA 0.916 62.237 61.300 0.035 0.000 1.404 241 I CB -0.260 37.761 38.000 0.034 0.000 1.071 241 I HN 0.182 nan 8.210 nan 0.000 0.419 242 Y N 2.046 122.313 120.300 -0.055 0.000 2.097 242 Y HA -0.332 4.217 4.550 -0.000 0.000 0.282 242 Y C 2.558 178.409 175.900 -0.082 0.000 1.152 242 Y CA 1.901 59.939 58.100 -0.105 0.000 1.136 242 Y CB -0.178 38.193 38.460 -0.147 0.000 0.975 242 Y HN -0.068 nan 8.280 nan 0.000 0.498 243 K N -0.866 119.623 120.400 0.148 0.000 2.044 243 K HA -0.184 4.136 4.320 -0.000 0.000 0.210 243 K C 2.064 178.672 176.600 0.013 0.000 1.049 243 K CA 2.240 58.572 56.287 0.076 0.000 0.927 243 K CB -0.585 31.949 32.500 0.057 0.000 0.713 243 K HN 0.252 nan 8.250 nan 0.000 0.443 244 T N 0.034 114.592 114.554 0.007 0.000 2.833 244 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 244 T C 1.844 176.537 174.700 -0.011 0.000 1.054 244 T CA 1.551 63.654 62.100 0.005 0.000 1.135 244 T CB -0.315 68.561 68.868 0.013 0.000 0.869 244 T HN 0.435 nan 8.240 nan 0.000 0.466 245 S N 1.427 117.082 115.700 -0.076 0.000 2.474 245 S HA 0.108 4.578 4.470 -0.000 0.000 0.235 245 S C 2.305 176.844 174.600 -0.102 0.000 0.997 245 S CA 0.757 58.889 58.200 -0.113 0.000 0.949 245 S CB -0.378 62.663 63.200 -0.264 0.000 0.766 245 S HN 0.469 nan 8.310 nan 0.000 0.517 246 A N 1.406 124.166 122.820 -0.100 0.000 1.972 246 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 246 A C 2.112 179.648 177.584 -0.080 0.000 1.169 246 A CA 1.664 53.648 52.037 -0.087 0.000 0.635 246 A CB -0.799 18.173 19.000 -0.046 0.000 0.810 246 A HN 0.584 nan 8.150 nan 0.000 0.446 247 E N -0.917 119.236 120.200 -0.078 0.000 2.051 247 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 247 E C 0.799 177.189 176.600 -0.349 0.000 0.991 247 E CA 1.481 57.758 56.400 -0.205 0.000 0.799 247 E CB -0.291 29.292 29.700 -0.195 0.000 0.748 247 E HN 0.735 nan 8.360 nan 0.000 0.449 248 Y N -0.712 119.562 120.300 -0.044 0.000 2.555 248 Y HA 0.317 4.867 4.550 -0.000 0.000 0.259 248 Y C 0.034 175.906 175.900 -0.046 0.000 1.179 248 Y CA -0.135 57.943 58.100 -0.037 0.000 1.230 248 Y CB -0.028 38.414 38.460 -0.031 0.000 1.146 248 Y HN -0.088 nan 8.280 nan 0.000 0.526 249 M N 0.629 120.239 119.600 0.016 0.000 2.175 249 M HA -0.238 4.242 4.480 -0.000 0.000 0.192 249 M C -0.583 175.705 176.300 -0.020 0.000 0.473 249 M CA 0.758 56.042 55.300 -0.027 0.000 0.414 249 M CB -1.872 30.718 32.600 -0.016 0.000 1.069 249 M HN 0.127 nan 8.290 nan 0.000 0.933 250 T N 1.324 115.862 114.554 -0.028 0.000 2.761 250 T HA 0.392 4.742 4.350 -0.000 0.000 0.296 250 T C -2.017 172.630 174.700 -0.089 0.000 0.934 250 T CA -0.977 61.105 62.100 -0.031 0.000 1.091 250 T CB 0.698 69.556 68.868 -0.017 0.000 0.896 250 T HN 0.134 nan 8.240 nan 0.000 0.515 251 P HA 0.153 nan 4.420 nan 0.000 0.263 251 P C -0.535 176.728 177.300 -0.061 0.000 1.195 251 P CA -0.284 62.790 63.100 -0.044 0.000 0.762 251 P CB 0.263 31.961 31.700 -0.005 0.000 0.799 252 V N 1.342 121.214 119.914 -0.069 0.000 2.715 252 V HA 0.725 4.845 4.120 -0.000 0.000 0.310 252 V C -0.470 175.701 176.094 0.128 0.000 1.054 252 V CA -0.998 61.284 62.300 -0.030 0.000 0.928 252 V CB 2.232 33.973 31.823 -0.138 0.000 1.007 252 V HN 0.484 nan 8.190 nan 0.000 0.437 253 M N 5.260 124.925 119.600 0.108 0.000 2.197 253 M HA 0.696 5.176 4.480 -0.000 0.000 0.301 253 M C -2.348 174.043 176.300 0.152 0.000 0.987 253 M CA -0.540 54.854 55.300 0.157 0.000 0.921 253 M CB 1.576 34.211 32.600 0.058 0.000 1.569 253 M HN 0.800 nan 8.290 nan 0.000 0.431 254 L N 4.569 125.915 121.223 0.205 0.000 2.406 254 L HA 0.590 4.930 4.340 -0.000 0.000 0.272 254 L C -0.875 176.083 176.870 0.146 0.000 0.980 254 L CA -0.739 54.203 54.840 0.169 0.000 0.831 254 L CB 2.079 44.261 42.059 0.206 0.000 1.253 254 L HN 0.593 nan 8.230 nan 0.000 0.406 255 E N 4.777 125.044 120.200 0.112 0.000 2.182 255 E HA 0.604 4.954 4.350 -0.000 0.000 0.258 255 E C -0.704 175.942 176.600 0.077 0.000 0.879 255 E CA -0.245 56.219 56.400 0.107 0.000 0.754 255 E CB 2.540 32.337 29.700 0.161 0.000 1.162 255 E HN 0.485 nan 8.360 nan 0.000 0.419 256 L N 0.115 121.378 121.223 0.067 0.000 2.755 256 L HA 0.679 5.018 4.340 -0.000 0.000 0.243 256 L C 1.195 178.062 176.870 -0.004 0.000 1.579 256 L CA -1.261 53.603 54.840 0.040 0.000 1.669 256 L CB 0.177 42.287 42.059 0.085 0.000 2.294 256 L HN 0.454 nan 8.230 nan 0.000 0.588 257 G N -1.366 107.415 108.800 -0.031 0.000 2.616 257 G HA2 0.523 4.483 3.960 -0.000 0.000 0.268 257 G HA3 0.523 4.483 3.960 -0.000 0.000 0.268 257 G C -0.599 174.084 174.900 -0.362 0.000 1.213 257 G CA 0.155 45.123 45.100 -0.219 0.000 0.926 257 G HN 0.732 nan 8.290 nan 0.000 0.523 258 G N -1.305 107.175 108.800 -0.533 0.000 2.672 258 G HA2 0.518 4.478 3.960 -0.000 0.000 0.292 258 G HA3 0.518 4.478 3.960 -0.000 0.000 0.292 258 G C -1.185 173.389 174.900 -0.543 0.000 1.375 258 G CA -0.732 44.084 45.100 -0.473 0.000 0.890 258 G HN 0.575 nan 8.290 nan 0.000 0.476 259 K N 0.400 120.664 120.400 -0.227 0.000 2.954 259 K HA 0.601 4.921 4.320 -0.000 0.000 0.171 259 K C 0.128 176.747 176.600 0.031 0.000 1.079 259 K CA -0.391 55.868 56.287 -0.047 0.000 0.908 259 K CB 0.496 33.068 32.500 0.121 0.000 1.142 259 K HN 0.719 nan 8.250 nan 0.000 0.613 260 A N 3.762 126.599 122.820 0.028 0.000 2.484 260 A HA 0.331 4.651 4.320 -0.000 0.000 0.268 260 A C -2.241 175.412 177.584 0.116 0.000 1.114 260 A CA -0.971 51.115 52.037 0.081 0.000 0.780 260 A CB -0.377 18.712 19.000 0.149 0.000 1.061 260 A HN 0.438 nan 8.150 nan 0.000 0.505 261 P HA 0.291 nan 4.420 nan 0.000 0.284 261 P C -0.597 176.849 177.300 0.244 0.000 1.253 261 P CA -0.302 62.911 63.100 0.188 0.000 0.800 261 P CB 1.161 33.051 31.700 0.316 0.000 0.961 262 M N 3.280 122.989 119.600 0.181 0.000 2.311 262 M HA 0.391 4.871 4.480 -0.000 0.000 0.325 262 M C -1.577 174.816 176.300 0.155 0.000 1.061 262 M CA -0.863 54.552 55.300 0.191 0.000 0.957 262 M CB 1.569 34.216 32.600 0.078 0.000 1.646 262 M HN -0.002 nan 8.290 nan 0.000 0.434 263 V N 5.508 125.527 119.914 0.175 0.000 2.417 263 V HA 0.464 4.584 4.120 -0.000 0.000 0.291 263 V C -0.646 175.496 176.094 0.080 0.000 1.024 263 V CA -0.741 61.649 62.300 0.149 0.000 0.861 263 V CB 1.631 33.529 31.823 0.125 0.000 0.985 263 V HN 0.673 nan 8.190 nan 0.000 0.436 264 V N 5.897 125.801 119.914 -0.017 0.000 2.313 264 V HA 0.429 4.549 4.120 -0.000 0.000 0.278 264 V C 0.238 176.326 176.094 -0.010 0.000 1.017 264 V CA -0.456 61.795 62.300 -0.082 0.000 0.823 264 V CB 1.271 32.847 31.823 -0.412 0.000 1.010 264 V HN 0.718 nan 8.190 nan 0.000 0.443 265 M N 1.742 121.361 119.600 0.032 0.000 2.245 265 M HA 0.309 4.789 4.480 -0.000 0.000 0.292 265 M C 1.493 177.744 176.300 -0.081 0.000 1.176 265 M CA -0.243 55.068 55.300 0.018 0.000 1.035 265 M CB 0.443 33.048 32.600 0.008 0.000 1.440 265 M HN 0.567 nan 8.290 nan 0.000 0.494 266 D N 1.231 121.429 120.400 -0.337 0.000 2.191 266 D HA -0.216 4.424 4.640 -0.000 0.000 0.190 266 D C 0.593 176.798 176.300 -0.159 0.000 1.007 266 D CA 1.927 55.667 54.000 -0.433 0.000 0.865 266 D CB 0.014 40.488 40.800 -0.544 0.000 0.929 266 D HN 0.604 nan 8.370 nan 0.000 0.447 267 D N -1.025 119.316 120.400 -0.097 0.000 2.424 267 D HA 0.290 4.930 4.640 -0.000 0.000 0.220 267 D C 0.104 176.414 176.300 0.016 0.000 1.150 267 D CA -0.312 53.669 54.000 -0.032 0.000 0.831 267 D CB -0.286 40.499 40.800 -0.024 0.000 0.981 267 D HN 0.081 nan 8.370 nan 0.000 0.500 268 A N 0.405 123.242 122.820 0.028 0.000 2.386 268 A HA 0.260 4.579 4.320 -0.000 0.000 0.248 268 A C 0.234 177.864 177.584 0.077 0.000 1.082 268 A CA -0.470 51.616 52.037 0.082 0.000 0.789 268 A CB 0.341 19.391 19.000 0.084 0.000 1.025 268 A HN 0.136 nan 8.150 nan 0.000 0.490 269 D N 1.984 122.449 120.400 0.109 0.000 2.359 269 D HA 0.153 4.793 4.640 -0.000 0.000 0.250 269 D C 0.925 177.254 176.300 0.047 0.000 1.264 269 D CA 0.051 54.099 54.000 0.081 0.000 0.911 269 D CB 0.228 41.089 40.800 0.102 0.000 1.056 269 D HN 0.458 nan 8.370 nan 0.000 0.499 270 L N 2.760 124.019 121.223 0.060 0.000 2.201 270 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 270 L C 1.754 178.654 176.870 0.051 0.000 1.105 270 L CA 0.617 55.519 54.840 0.103 0.000 0.775 270 L CB -0.063 42.082 42.059 0.143 0.000 0.913 270 L HN 0.344 nan 8.230 nan 0.000 0.440 271 D N 0.283 120.695 120.400 0.019 0.000 2.123 271 D HA -0.163 4.477 4.640 -0.000 0.000 0.200 271 D C 2.105 178.407 176.300 0.004 0.000 0.976 271 D CA 1.095 55.095 54.000 -0.000 0.000 0.831 271 D CB 0.220 41.026 40.800 0.010 0.000 0.974 271 D HN 0.155 nan 8.370 nan 0.000 0.469 272 K N 1.092 121.498 120.400 0.010 0.000 2.002 272 K HA -0.064 4.256 4.320 -0.000 0.000 0.209 272 K C 2.042 178.567 176.600 -0.125 0.000 1.048 272 K CA 1.247 57.545 56.287 0.018 0.000 0.930 272 K CB -0.242 32.322 32.500 0.107 0.000 0.714 272 K HN -0.009 nan 8.250 nan 0.000 0.438 273 A N 0.613 123.216 122.820 -0.360 0.000 1.908 273 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 273 A C 2.312 179.847 177.584 -0.082 0.000 1.181 273 A CA 2.176 53.872 52.037 -0.568 0.000 0.627 273 A CB -1.016 17.744 19.000 -0.400 0.000 0.818 273 A HN 0.421 nan 8.150 nan 0.000 0.445 274 A N -0.712 122.135 122.820 0.044 0.000 1.930 274 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 274 A C 2.037 179.681 177.584 0.100 0.000 1.175 274 A CA 1.710 53.752 52.037 0.008 0.000 0.627 274 A CB -0.458 18.440 19.000 -0.171 0.000 0.815 274 A HN 0.675 nan 8.150 nan 0.000 0.443 275 E N -0.294 119.935 120.200 0.048 0.000 2.107 275 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 275 E C 1.034 177.708 176.600 0.123 0.000 0.982 275 E CA 1.207 57.656 56.400 0.082 0.000 0.809 275 E CB -0.061 29.716 29.700 0.128 0.000 0.756 275 E HN 0.509 nan 8.360 nan 0.000 0.459 276 D N 0.074 120.526 120.400 0.087 0.000 2.183 276 D HA -0.079 4.561 4.640 -0.000 0.000 0.203 276 D C 1.671 177.968 176.300 -0.005 0.000 0.969 276 D CA 1.087 55.133 54.000 0.076 0.000 0.842 276 D CB -0.103 40.776 40.800 0.131 0.000 0.957 276 D HN 0.263 nan 8.370 nan 0.000 0.484 277 A N 0.558 123.366 122.820 -0.019 0.000 1.929 277 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 277 A C 2.071 179.736 177.584 0.134 0.000 1.176 277 A CA 0.614 52.615 52.037 -0.060 0.000 0.628 277 A CB -0.566 18.257 19.000 -0.296 0.000 0.816 277 A HN 0.210 nan 8.150 nan 0.000 0.444 278 L N -0.879 120.512 121.223 0.281 0.000 1.932 278 L HA -0.135 4.205 4.340 -0.000 0.000 0.217 278 L C 2.291 179.158 176.870 -0.006 0.000 1.077 278 L CA 2.265 57.195 54.840 0.151 0.000 0.765 278 L CB -1.006 40.859 42.059 -0.323 0.000 0.888 278 L HN 0.594 nan 8.230 nan 0.000 0.433 279 W N -0.327 121.075 121.300 0.169 0.000 2.374 279 W HA -0.022 4.638 4.660 -0.000 0.000 0.288 279 W C 2.371 178.888 176.519 -0.003 0.000 1.218 279 W CA 0.565 57.964 57.345 0.089 0.000 1.245 279 W CB -0.912 28.577 29.460 0.047 0.000 1.126 279 W HN 0.388 nan 8.180 nan 0.000 0.545 280 G N 0.672 109.525 108.800 0.088 0.000 2.422 280 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 280 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 280 G C 1.436 176.246 174.900 -0.150 0.000 1.146 280 G CA 1.401 46.430 45.100 -0.118 0.000 0.769 280 G HN 0.192 nan 8.290 nan 0.000 0.547 281 R N -0.270 120.106 120.500 -0.207 0.000 2.064 281 R HA 0.222 4.562 4.340 -0.000 0.000 0.221 281 R C 1.884 177.927 176.300 -0.429 0.000 1.136 281 R CA 0.937 56.766 56.100 -0.451 0.000 0.980 281 R CB -0.637 29.165 30.300 -0.830 0.000 0.876 281 R HN 0.332 nan 8.270 nan 0.000 0.437 282 F N 0.962 120.940 119.950 0.045 0.000 2.776 282 F HA 0.453 4.980 4.527 -0.000 0.000 0.300 282 F C 0.950 176.855 175.800 0.175 0.000 1.116 282 F CA -0.124 57.914 58.000 0.065 0.000 1.375 282 F CB -0.008 38.977 39.000 -0.024 0.000 1.109 282 F HN 0.067 nan 8.300 nan 0.000 0.585 283 A N 0.555 123.596 122.820 0.369 0.000 2.445 283 A HA 0.137 4.457 4.320 -0.000 0.000 0.242 283 A C 1.072 178.764 177.584 0.180 0.000 1.075 283 A CA -0.054 52.181 52.037 0.329 0.000 0.777 283 A CB -0.268 18.901 19.000 0.281 0.000 1.013 283 A HN 0.473 nan 8.150 nan 0.000 0.493 284 N N -1.078 117.715 118.700 0.154 0.000 2.696 284 N HA -0.219 4.521 4.740 -0.000 0.000 0.249 284 N C 0.374 175.895 175.510 0.018 0.000 1.090 284 N CA 1.370 54.456 53.050 0.061 0.000 0.716 284 N CB -1.973 36.542 38.487 0.047 0.000 1.020 284 N HN 1.760 nan 8.380 nan 0.000 0.548 285 C N -1.741 117.617 119.300 0.097 0.000 4.274 285 C HA -0.091 4.369 4.460 -0.000 0.000 0.297 285 C C 1.693 176.697 174.990 0.023 0.000 1.446 285 C CA 1.593 60.676 59.018 0.107 0.000 2.016 285 C CB -2.083 25.704 27.740 0.078 0.000 1.273 285 C HN 1.771 nan 8.230 nan 0.000 0.782 286 G N -0.314 108.465 108.800 -0.035 0.000 2.184 286 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.264 286 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.264 286 G C 0.021 174.656 174.900 -0.442 0.000 0.975 286 G CA 0.684 45.678 45.100 -0.177 0.000 0.642 286 G HN 0.962 nan 8.290 nan 0.000 0.536 287 Q N 0.323 119.820 119.800 -0.504 0.000 3.135 287 Q HA 0.509 4.849 4.340 -0.000 0.000 0.344 287 Q C -0.376 175.132 176.000 -0.820 0.000 1.321 287 Q CA -0.117 55.008 55.803 -1.130 0.000 1.050 287 Q CB 1.054 29.528 28.738 -0.439 0.000 1.498 287 Q HN 0.360 nan 8.270 nan 0.000 0.503 288 V N -1.088 118.456 119.914 -0.616 0.000 2.888 288 V HA 0.112 4.232 4.120 -0.000 0.000 0.309 288 V C 0.441 176.643 176.094 0.180 0.000 1.114 288 V CA -0.887 61.430 62.300 0.028 0.000 0.940 288 V CB 1.840 33.747 31.823 0.141 0.000 1.021 288 V HN 0.532 nan 8.190 nan 0.000 0.426 289 C N 1.420 120.928 119.300 0.347 0.000 2.481 289 C HA -0.033 4.427 4.460 -0.000 0.000 0.275 289 C C 2.342 177.427 174.990 0.158 0.000 1.419 289 C CA 1.276 60.462 59.018 0.280 0.000 1.773 289 C CB -1.034 26.820 27.740 0.189 0.000 1.862 289 C HN 1.049 nan 8.230 nan 0.000 0.530 290 T N -3.538 111.114 114.554 0.163 0.000 3.122 290 T HA 0.142 4.492 4.350 -0.000 0.000 0.250 290 T C 0.422 175.204 174.700 0.136 0.000 1.067 290 T CA -0.148 62.048 62.100 0.162 0.000 0.966 290 T CB -0.703 68.287 68.868 0.203 0.000 1.002 290 T HN 0.402 nan 8.240 nan 0.000 0.542 291 C N 2.481 121.816 119.300 0.058 0.000 2.634 291 C HA 0.248 4.708 4.460 -0.000 0.000 0.417 291 C C 1.100 176.078 174.990 -0.020 0.000 1.334 291 C CA -0.863 58.139 59.018 -0.027 0.000 1.829 291 C CB -0.378 27.308 27.740 -0.090 0.000 2.665 291 C HN 0.469 nan 8.230 nan 0.000 0.614 292 V N 6.054 125.903 119.914 -0.109 0.000 2.458 292 V HA 0.004 4.124 4.120 -0.000 0.000 0.287 292 V C 1.166 177.191 176.094 -0.115 0.000 1.009 292 V CA 1.018 63.259 62.300 -0.099 0.000 1.091 292 V CB 0.127 31.838 31.823 -0.188 0.000 0.960 292 V HN 0.882 nan 8.190 nan 0.000 0.476 293 E N 4.757 124.917 120.200 -0.067 0.000 2.473 293 E HA 0.149 4.499 4.350 -0.000 0.000 0.204 293 E C 0.441 176.982 176.600 -0.100 0.000 0.994 293 E CA 0.065 56.419 56.400 -0.076 0.000 0.945 293 E CB 0.681 30.360 29.700 -0.035 0.000 0.990 293 E HN 0.835 nan 8.360 nan 0.000 0.493 294 R N -0.063 120.354 120.500 -0.138 0.000 2.579 294 R HA 0.486 4.826 4.340 -0.000 0.000 0.260 294 R C -1.517 174.568 176.300 -0.360 0.000 1.103 294 R CA -0.786 55.160 56.100 -0.256 0.000 0.942 294 R CB 0.750 30.875 30.300 -0.292 0.000 1.251 294 R HN -0.115 nan 8.270 nan 0.000 0.450 295 L N 2.773 123.740 121.223 -0.427 0.000 2.349 295 L HA 0.514 4.854 4.340 -0.000 0.000 0.278 295 L C -1.647 174.952 176.870 -0.451 0.000 0.996 295 L CA -0.609 54.010 54.840 -0.367 0.000 0.825 295 L CB 1.428 43.334 42.059 -0.255 0.000 1.243 295 L HN 0.644 nan 8.230 nan 0.000 0.412 296 Y N 4.462 124.742 120.300 -0.034 0.000 2.335 296 Y HA 0.632 5.182 4.550 -0.000 0.000 0.339 296 Y C -0.223 175.634 175.900 -0.073 0.000 0.987 296 Y CA -0.812 57.292 58.100 0.007 0.000 1.140 296 Y CB 1.683 40.181 38.460 0.064 0.000 1.173 296 Y HN 0.266 nan 8.280 nan 0.000 0.486 297 V N 3.623 123.595 119.914 0.097 0.000 2.483 297 V HA 0.133 4.253 4.120 -0.000 0.000 0.297 297 V C -0.064 176.110 176.094 0.134 0.000 1.027 297 V CA -1.071 61.225 62.300 -0.006 0.000 0.855 297 V CB 1.132 32.891 31.823 -0.107 0.000 0.995 297 V HN 0.728 nan 8.190 nan 0.000 0.424 298 H N 3.377 122.460 119.070 0.021 0.000 3.034 298 H HA 0.072 4.628 4.556 -0.000 0.000 0.324 298 H C 1.299 176.678 175.328 0.083 0.000 1.015 298 H CA 0.725 56.794 56.048 0.036 0.000 1.429 298 H CB 1.684 31.453 29.762 0.011 0.000 1.429 298 H HN 0.844 nan 8.280 nan 0.000 0.585 299 A N 3.979 126.735 122.820 -0.106 0.000 1.948 299 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 299 A C 2.496 180.194 177.584 0.189 0.000 1.177 299 A CA 1.924 53.970 52.037 0.014 0.000 0.636 299 A CB -0.506 18.430 19.000 -0.108 0.000 0.815 299 A HN 0.731 nan 8.150 nan 0.000 0.449 300 S N -0.798 115.117 115.700 0.359 0.000 2.423 300 S HA -0.072 4.398 4.470 -0.000 0.000 0.231 300 S C 1.587 176.312 174.600 0.208 0.000 1.014 300 S CA 1.456 59.820 58.200 0.273 0.000 0.965 300 S CB -0.276 63.078 63.200 0.257 0.000 0.785 300 S HN 0.922 nan 8.310 nan 0.000 0.495 301 V N -1.930 118.122 119.914 0.230 0.000 3.578 301 V HA 0.307 4.427 4.120 -0.000 0.000 0.290 301 V C 1.446 177.669 176.094 0.216 0.000 1.376 301 V CA -0.290 62.112 62.300 0.171 0.000 1.083 301 V CB -1.290 30.599 31.823 0.111 0.000 0.911 301 V HN 0.356 nan 8.190 nan 0.000 0.433 302 Y N 2.518 122.896 120.300 0.129 0.000 2.040 302 Y HA -0.288 4.262 4.550 -0.000 0.000 0.275 302 Y C 2.235 178.242 175.900 0.178 0.000 1.171 302 Y CA 2.676 60.860 58.100 0.140 0.000 1.123 302 Y CB -0.153 38.366 38.460 0.098 0.000 0.963 302 Y HN 0.309 nan 8.280 nan 0.000 0.493 303 D N -0.349 120.200 120.400 0.249 0.000 2.097 303 D HA -0.205 4.435 4.640 -0.000 0.000 0.195 303 D C 2.044 178.376 176.300 0.054 0.000 0.989 303 D CA 1.973 56.057 54.000 0.140 0.000 0.827 303 D CB -0.471 40.426 40.800 0.161 0.000 0.966 303 D HN 0.781 nan 8.370 nan 0.000 0.456 304 E N -0.346 119.902 120.200 0.080 0.000 2.285 304 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 304 E C 2.014 178.639 176.600 0.042 0.000 0.997 304 E CA 0.249 56.678 56.400 0.049 0.000 0.845 304 E CB -0.595 29.137 29.700 0.052 0.000 0.782 304 E HN 0.292 nan 8.360 nan 0.000 0.491 305 F N 1.721 121.631 119.950 -0.067 0.000 2.075 305 F HA -0.159 4.368 4.527 -0.000 0.000 0.297 305 F C 2.192 177.940 175.800 -0.086 0.000 1.113 305 F CA 1.555 59.499 58.000 -0.093 0.000 1.218 305 F CB -0.002 38.915 39.000 -0.139 0.000 0.984 305 F HN -0.062 nan 8.300 nan 0.000 0.472 306 M N 0.482 120.021 119.600 -0.102 0.000 2.213 306 M HA -0.120 4.360 4.480 -0.000 0.000 0.263 306 M C 2.482 178.694 176.300 -0.147 0.000 1.062 306 M CA 1.482 56.689 55.300 -0.154 0.000 1.105 306 M CB -1.957 30.506 32.600 -0.230 0.000 1.385 306 M HN 0.367 nan 8.290 nan 0.000 0.417 307 A N 0.177 122.929 122.820 -0.113 0.000 2.019 307 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 307 A C 2.294 179.800 177.584 -0.131 0.000 1.164 307 A CA 1.553 53.533 52.037 -0.094 0.000 0.644 307 A CB -0.390 18.579 19.000 -0.051 0.000 0.805 307 A HN 0.498 nan 8.150 nan 0.000 0.449 308 K N -2.136 118.153 120.400 -0.184 0.000 2.128 308 K HA 0.109 4.429 4.320 -0.000 0.000 0.202 308 K C 1.750 178.200 176.600 -0.251 0.000 1.050 308 K CA 0.966 57.130 56.287 -0.203 0.000 0.966 308 K CB -0.199 32.179 32.500 -0.203 0.000 0.759 308 K HN 0.429 nan 8.250 nan 0.000 0.454 309 F N 1.839 121.438 119.950 -0.585 0.000 2.098 309 F HA -0.088 4.439 4.527 -0.000 0.000 0.294 309 F C 1.943 177.543 175.800 -0.333 0.000 1.107 309 F CA 0.762 58.412 58.000 -0.584 0.000 1.234 309 F CB -0.393 38.031 39.000 -0.960 0.000 1.002 309 F HN -0.154 nan 8.300 nan 0.000 0.472 310 L N 1.232 122.240 121.223 -0.359 0.000 2.042 310 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 310 L C -0.835 175.822 176.870 -0.354 0.000 1.076 310 L CA 2.090 56.711 54.840 -0.365 0.000 0.749 310 L CB -1.860 40.099 42.059 -0.166 0.000 0.893 310 L HN -0.005 nan 8.230 nan 0.000 0.432 311 P HA -0.175 nan 4.420 nan 0.000 0.218 311 P C 1.884 179.009 177.300 -0.291 0.000 1.146 311 P CA 1.436 64.393 63.100 -0.239 0.000 0.813 311 P CB -0.021 31.573 31.700 -0.176 0.000 0.778 312 L N -1.815 119.178 121.223 -0.383 0.000 2.072 312 L HA -0.100 4.240 4.340 -0.000 0.000 0.205 312 L C 2.312 178.874 176.870 -0.514 0.000 1.079 312 L CA 1.083 55.679 54.840 -0.407 0.000 0.752 312 L CB -1.026 40.786 42.059 -0.411 0.000 0.906 312 L HN -0.148 nan 8.230 nan 0.000 0.436 313 V N -0.184 119.330 119.914 -0.666 0.000 2.358 313 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 313 V C 2.415 178.195 176.094 -0.524 0.000 1.047 313 V CA 1.591 63.456 62.300 -0.725 0.000 1.035 313 V CB -0.536 30.823 31.823 -0.773 0.000 0.658 313 V HN 0.383 nan 8.190 nan 0.000 0.452 314 K N 0.442 120.608 120.400 -0.390 0.000 2.148 314 K HA -0.073 4.247 4.320 -0.000 0.000 0.204 314 K C 2.034 178.491 176.600 -0.238 0.000 1.050 314 K CA 1.345 57.467 56.287 -0.274 0.000 0.942 314 K CB -0.426 31.946 32.500 -0.214 0.000 0.724 314 K HN 0.557 nan 8.250 nan 0.000 0.446 315 G N 0.835 109.487 108.800 -0.247 0.000 2.813 315 G HA2 0.015 3.975 3.960 -0.000 0.000 0.209 315 G HA3 0.015 3.975 3.960 -0.000 0.000 0.209 315 G C 0.417 175.211 174.900 -0.177 0.000 1.150 315 G CA -0.265 44.723 45.100 -0.187 0.000 0.785 315 G HN 0.054 nan 8.290 nan 0.000 0.535 316 L N 1.104 122.182 121.223 -0.242 0.000 2.513 316 L HA 0.146 4.486 4.340 -0.000 0.000 0.272 316 L C 0.501 177.293 176.870 -0.130 0.000 1.187 316 L CA -0.352 54.367 54.840 -0.201 0.000 0.895 316 L CB 0.759 42.624 42.059 -0.323 0.000 1.147 316 L HN -0.037 nan 8.230 nan 0.000 0.483 317 K N 4.100 124.462 120.400 -0.064 0.000 2.284 317 K HA 0.303 4.623 4.320 -0.000 0.000 0.287 317 K C -0.831 175.746 176.600 -0.038 0.000 1.081 317 K CA -0.351 55.902 56.287 -0.057 0.000 0.910 317 K CB 1.115 33.593 32.500 -0.036 0.000 1.088 317 K HN 0.295 nan 8.250 nan 0.000 0.478 318 V N 4.123 123.997 119.914 -0.066 0.000 2.439 318 V HA 0.940 5.060 4.120 -0.000 0.000 0.282 318 V C -0.011 175.980 176.094 -0.171 0.000 1.039 318 V CA 0.620 62.896 62.300 -0.039 0.000 0.913 318 V CB 0.480 32.322 31.823 0.031 0.000 0.983 318 V HN 0.921 nan 8.190 nan 0.000 0.460 319 G N 4.054 112.760 108.800 -0.157 0.000 2.428 319 G HA2 0.246 4.206 3.960 -0.000 0.000 0.305 319 G HA3 0.246 4.206 3.960 -0.000 0.000 0.305 319 G C -1.250 173.528 174.900 -0.204 0.000 1.260 319 G CA -0.355 44.518 45.100 -0.379 0.000 0.853 319 G HN 0.847 nan 8.290 nan 0.000 0.480 320 D N 1.226 121.399 120.400 -0.379 0.000 2.570 320 D HA 0.133 4.773 4.640 -0.000 0.000 0.243 320 D C -0.603 175.635 176.300 -0.104 0.000 1.171 320 D CA -1.198 52.560 54.000 -0.404 0.000 0.879 320 D CB 1.403 41.882 40.800 -0.537 0.000 1.143 320 D HN 0.040 nan 8.370 nan 0.000 0.511 321 P HA -0.136 nan 4.420 nan 0.000 0.228 321 P C 1.246 178.549 177.300 0.005 0.000 1.151 321 P CA 0.687 63.792 63.100 0.009 0.000 0.770 321 P CB 0.170 31.875 31.700 0.008 0.000 0.786 322 M N -0.924 118.676 119.600 -0.000 0.000 2.514 322 M HA 0.070 4.550 4.480 -0.000 0.000 0.258 322 M C 0.625 176.939 176.300 0.022 0.000 1.119 322 M CA 0.469 55.784 55.300 0.026 0.000 1.111 322 M CB -0.972 31.663 32.600 0.058 0.000 1.390 322 M HN -0.073 nan 8.290 nan 0.000 0.475 323 D N 0.664 121.066 120.400 0.004 0.000 2.312 323 D HA 0.327 4.967 4.640 -0.000 0.000 0.252 323 D C 0.842 177.144 176.300 0.003 0.000 1.150 323 D CA 0.081 54.085 54.000 0.007 0.000 0.870 323 D CB 1.572 42.367 40.800 -0.007 0.000 1.153 323 D HN 0.127 nan 8.370 nan 0.000 0.457 324 A N 4.000 126.824 122.820 0.006 0.000 2.067 324 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 324 A C 1.476 179.061 177.584 0.001 0.000 1.158 324 A CA 0.988 53.027 52.037 0.003 0.000 0.661 324 A CB -0.019 18.983 19.000 0.003 0.000 0.801 324 A HN 0.589 nan 8.150 nan 0.000 0.452 325 D N 0.159 120.559 120.400 -0.000 0.000 2.355 325 D HA 0.051 4.691 4.640 -0.000 0.000 0.218 325 D C 0.181 176.483 176.300 0.003 0.000 1.004 325 D CA 0.329 54.328 54.000 -0.000 0.000 0.880 325 D CB 0.020 40.816 40.800 -0.007 0.000 0.911 325 D HN 0.248 nan 8.370 nan 0.000 0.528 326 S N 0.705 116.406 115.700 0.002 0.000 2.531 326 S HA 0.122 4.592 4.470 -0.000 0.000 0.279 326 S C 1.212 175.841 174.600 0.049 0.000 1.305 326 S CA -0.171 58.037 58.200 0.013 0.000 1.058 326 S CB 1.702 64.906 63.200 0.006 0.000 0.899 326 S HN 0.151 nan 8.310 nan 0.000 0.493 327 Q N 1.294 121.143 119.800 0.083 0.000 2.350 327 Q HA 0.347 4.687 4.340 -0.000 0.000 0.225 327 Q C 0.029 176.160 176.000 0.218 0.000 0.878 327 Q CA 0.370 56.276 55.803 0.171 0.000 0.935 327 Q CB 0.567 29.449 28.738 0.240 0.000 1.099 327 Q HN 0.650 nan 8.270 nan 0.000 0.527 328 M N -0.272 119.421 119.600 0.155 0.000 2.371 328 M HA 0.522 5.002 4.480 -0.000 0.000 0.287 328 M C -1.031 175.382 176.300 0.189 0.000 1.149 328 M CA -0.543 54.863 55.300 0.178 0.000 0.929 328 M CB 1.809 34.515 32.600 0.176 0.000 1.683 328 M HN 0.104 nan 8.290 nan 0.000 0.470 329 G N 2.653 111.558 108.800 0.176 0.000 2.641 329 G HA2 0.776 4.736 3.960 -0.000 0.000 0.239 329 G HA3 0.776 4.736 3.960 -0.000 0.000 0.239 329 G C -3.007 171.982 174.900 0.149 0.000 1.402 329 G CA -0.972 44.247 45.100 0.198 0.000 1.046 329 G HN 0.460 nan 8.290 nan 0.000 0.565 330 P HA 0.287 nan 4.420 nan 0.000 0.278 330 P C -0.580 176.579 177.300 -0.235 0.000 1.258 330 P CA -0.641 62.145 63.100 -0.524 0.000 0.811 330 P CB 1.153 32.140 31.700 -1.188 0.000 1.063 331 K N 0.385 120.678 120.400 -0.177 0.000 2.276 331 K HA 0.041 4.361 4.320 -0.000 0.000 0.259 331 K C 1.323 177.791 176.600 -0.219 0.000 1.001 331 K CA -0.073 56.145 56.287 -0.115 0.000 0.927 331 K CB -0.073 32.390 32.500 -0.061 0.000 0.969 331 K HN 0.523 nan 8.250 nan 0.000 0.490 332 C N 1.854 121.004 119.300 -0.250 0.000 2.464 332 C HA -0.051 4.409 4.460 -0.000 0.000 0.278 332 C C 0.618 175.361 174.990 -0.413 0.000 1.375 332 C CA 0.633 59.401 59.018 -0.417 0.000 1.761 332 C CB -1.118 26.127 27.740 -0.824 0.000 1.944 332 C HN 0.934 nan 8.230 nan 0.000 0.509 333 N N -2.668 115.829 118.700 -0.338 0.000 3.039 333 N HA 0.185 4.925 4.740 -0.000 0.000 0.257 333 N C -0.034 175.384 175.510 -0.154 0.000 1.497 333 N CA -0.566 52.336 53.050 -0.247 0.000 0.861 333 N CB 0.167 38.493 38.487 -0.268 0.000 1.479 333 N HN -0.207 nan 8.380 nan 0.000 0.547 334 Q N -0.404 119.330 119.800 -0.109 0.000 2.123 334 Q HA -0.017 4.323 4.340 -0.000 0.000 0.199 334 Q C 1.645 177.623 176.000 -0.038 0.000 0.966 334 Q CA 1.285 57.056 55.803 -0.054 0.000 0.845 334 Q CB -0.270 28.447 28.738 -0.035 0.000 0.907 334 Q HN 0.687 nan 8.270 nan 0.000 0.439 335 R N 1.116 121.584 120.500 -0.053 0.000 2.091 335 R HA -0.141 4.199 4.340 -0.000 0.000 0.238 335 R C 1.863 178.153 176.300 -0.016 0.000 1.136 335 R CA 1.575 57.656 56.100 -0.033 0.000 0.959 335 R CB -0.109 30.167 30.300 -0.041 0.000 0.856 335 R HN 0.149 nan 8.270 nan 0.000 0.437 336 E N 0.299 120.481 120.200 -0.030 0.000 2.072 336 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 336 E C 2.066 178.655 176.600 -0.019 0.000 0.985 336 E CA 1.141 57.544 56.400 0.005 0.000 0.801 336 E CB -0.153 29.553 29.700 0.010 0.000 0.750 336 E HN 0.358 nan 8.360 nan 0.000 0.452 337 I N 2.171 122.721 120.570 -0.034 0.000 2.118 337 I HA -0.286 3.884 4.170 -0.000 0.000 0.241 337 I C 1.873 177.984 176.117 -0.009 0.000 1.070 337 I CA 1.521 62.803 61.300 -0.030 0.000 1.327 337 I CB -1.071 36.959 38.000 0.049 0.000 1.034 337 I HN 0.062 nan 8.210 nan 0.000 0.405 338 D N 0.494 120.910 120.400 0.026 0.000 2.117 338 D HA -0.203 4.437 4.640 -0.000 0.000 0.197 338 D C 1.899 178.240 176.300 0.068 0.000 0.987 338 D CA 1.363 55.396 54.000 0.055 0.000 0.829 338 D CB -0.528 40.293 40.800 0.034 0.000 0.961 338 D HN 0.340 nan 8.370 nan 0.000 0.460 339 N N 1.160 119.885 118.700 0.041 0.000 2.084 339 N HA -0.137 4.603 4.740 -0.000 0.000 0.190 339 N C 2.029 177.590 175.510 0.086 0.000 1.030 339 N CA 1.272 54.363 53.050 0.069 0.000 0.849 339 N CB -0.272 38.251 38.487 0.060 0.000 1.012 339 N HN 0.370 nan 8.380 nan 0.000 0.423 340 I N -2.525 118.038 120.570 -0.011 0.000 2.439 340 I HA -0.008 4.162 4.170 -0.000 0.000 0.251 340 I C 1.653 177.703 176.117 -0.111 0.000 1.139 340 I CA 1.541 62.782 61.300 -0.097 0.000 1.438 340 I CB -0.443 37.409 38.000 -0.247 0.000 1.085 340 I HN -0.032 nan 8.210 nan 0.000 0.427 341 D N 0.802 121.166 120.400 -0.060 0.000 2.149 341 D HA -0.269 4.371 4.640 -0.000 0.000 0.201 341 D C 2.277 178.744 176.300 0.278 0.000 0.972 341 D CA 1.189 55.276 54.000 0.146 0.000 0.835 341 D CB -0.249 40.718 40.800 0.279 0.000 0.966 341 D HN 0.480 nan 8.370 nan 0.000 0.476 342 H N 0.273 119.426 119.070 0.139 0.000 2.321 342 H HA -0.107 4.449 4.556 -0.000 0.000 0.300 342 H C 2.203 177.604 175.328 0.121 0.000 1.087 342 H CA 1.475 57.607 56.048 0.140 0.000 1.319 342 H CB -0.177 29.634 29.762 0.081 0.000 1.379 342 H HN 0.220 nan 8.280 nan 0.000 0.501 343 I N 0.341 120.933 120.570 0.037 0.000 2.208 343 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 343 I C 2.805 178.891 176.117 -0.052 0.000 1.097 343 I CA 0.926 62.210 61.300 -0.026 0.000 1.363 343 I CB -0.273 37.756 38.000 0.048 0.000 1.051 343 I HN 0.087 nan 8.210 nan 0.000 0.413 344 V N 0.583 120.474 119.914 -0.038 0.000 2.231 344 V HA -0.364 3.756 4.120 -0.000 0.000 0.248 344 V C 2.355 178.363 176.094 -0.143 0.000 1.054 344 V CA 2.400 64.646 62.300 -0.091 0.000 1.015 344 V CB -0.978 30.780 31.823 -0.109 0.000 0.638 344 V HN 0.444 nan 8.190 nan 0.000 0.444 345 H N -0.857 118.205 119.070 -0.014 0.000 2.389 345 H HA -0.130 4.426 4.556 -0.000 0.000 0.299 345 H C 2.307 177.593 175.328 -0.071 0.000 1.081 345 H CA 1.435 57.469 56.048 -0.025 0.000 1.345 345 H CB 0.026 29.784 29.762 -0.006 0.000 1.393 345 H HN 0.340 nan 8.280 nan 0.000 0.520 346 E N 0.671 120.837 120.200 -0.057 0.000 2.153 346 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 346 E C 2.153 178.727 176.600 -0.044 0.000 0.988 346 E CA 1.030 57.366 56.400 -0.107 0.000 0.811 346 E CB -0.170 29.374 29.700 -0.259 0.000 0.746 346 E HN 0.486 nan 8.360 nan 0.000 0.466 347 A N -0.098 122.700 122.820 -0.035 0.000 1.935 347 A HA 0.010 4.330 4.320 -0.000 0.000 0.214 347 A C 2.241 179.823 177.584 -0.003 0.000 1.178 347 A CA 0.782 52.812 52.037 -0.012 0.000 0.640 347 A CB -0.434 18.562 19.000 -0.007 0.000 0.825 347 A HN 0.276 nan 8.150 nan 0.000 0.447 348 I N -0.229 120.338 120.570 -0.006 0.000 2.208 348 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 348 I C 2.460 178.590 176.117 0.022 0.000 1.097 348 I CA 1.562 62.869 61.300 0.010 0.000 1.363 348 I CB -0.236 37.774 38.000 0.016 0.000 1.051 348 I HN 0.266 nan 8.210 nan 0.000 0.413 349 K N 0.406 120.822 120.400 0.026 0.000 2.103 349 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 349 K C 2.001 178.609 176.600 0.013 0.000 1.048 349 K CA 1.391 57.692 56.287 0.023 0.000 0.930 349 K CB -0.125 32.388 32.500 0.021 0.000 0.716 349 K HN 0.427 nan 8.250 nan 0.000 0.444 350 Q N -1.160 118.644 119.800 0.007 0.000 2.482 350 Q HA 0.013 4.353 4.340 -0.000 0.000 0.209 350 Q C 0.760 176.764 176.000 0.006 0.000 0.961 350 Q CA 0.683 56.488 55.803 0.004 0.000 0.945 350 Q CB 0.763 29.501 28.738 0.001 0.000 1.012 350 Q HN 0.553 nan 8.270 nan 0.000 0.515 351 G N -0.477 108.329 108.800 0.010 0.000 2.273 351 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.162 351 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.162 351 G C 0.042 174.951 174.900 0.015 0.000 1.006 351 G CA -0.273 44.834 45.100 0.012 0.000 0.704 351 G HN 0.404 nan 8.290 nan 0.000 0.487 352 A N 0.215 123.045 122.820 0.015 0.000 2.304 352 A HA 0.818 5.138 4.320 -0.000 0.000 0.271 352 A C 0.537 178.134 177.584 0.023 0.000 1.091 352 A CA 0.895 52.944 52.037 0.020 0.000 0.812 352 A CB 0.570 19.582 19.000 0.019 0.000 1.056 352 A HN 0.777 nan 8.150 nan 0.000 0.489 353 T N 0.263 114.836 114.554 0.032 0.000 2.885 353 T HA 0.511 4.861 4.350 -0.000 0.000 0.285 353 T C -0.488 174.232 174.700 0.034 0.000 1.019 353 T CA -0.515 61.604 62.100 0.032 0.000 1.010 353 T CB 1.523 70.415 68.868 0.039 0.000 1.022 353 T HN 0.410 nan 8.240 nan 0.000 0.466 354 V N 2.380 122.308 119.914 0.023 0.000 2.406 354 V HA 0.469 4.589 4.120 -0.000 0.000 0.272 354 V C 1.081 177.188 176.094 0.023 0.000 1.043 354 V CA -0.288 62.024 62.300 0.020 0.000 0.915 354 V CB 0.699 32.523 31.823 0.002 0.000 0.988 354 V HN 1.169 nan 8.190 nan 0.000 0.466 355 A N 4.007 126.846 122.820 0.032 0.000 2.044 355 A HA 0.334 4.654 4.320 -0.000 0.000 0.213 355 A C 1.024 178.601 177.584 -0.012 0.000 1.169 355 A CA 0.979 53.029 52.037 0.022 0.000 0.724 355 A CB 0.351 19.378 19.000 0.046 0.000 0.840 355 A HN 0.718 nan 8.150 nan 0.000 0.463 356 T N -3.152 111.393 114.554 -0.015 0.000 2.886 356 T HA 0.524 4.874 4.350 -0.000 0.000 0.330 356 T C 0.200 174.877 174.700 -0.038 0.000 1.488 356 T CA 0.589 62.659 62.100 -0.050 0.000 1.054 356 T CB 0.739 69.548 68.868 -0.100 0.000 1.348 356 T HN 1.978 nan 8.240 nan 0.000 0.489 357 G N 1.969 110.727 108.800 -0.070 0.000 2.527 357 G HA2 0.253 4.213 3.960 -0.000 0.000 0.268 357 G HA3 0.253 4.213 3.960 -0.000 0.000 0.268 357 G C 1.114 175.967 174.900 -0.077 0.000 1.175 357 G CA 1.300 46.350 45.100 -0.083 0.000 0.962 357 G HN 2.451 nan 8.290 nan 0.000 0.560 358 G N -1.597 107.171 108.800 -0.053 0.000 2.175 358 G HA2 0.041 4.001 3.960 -0.000 0.000 0.244 358 G HA3 0.041 4.001 3.960 -0.000 0.000 0.244 358 G C 0.239 175.081 174.900 -0.095 0.000 0.982 358 G CA 1.847 46.936 45.100 -0.019 0.000 0.641 358 G HN 1.921 nan 8.290 nan 0.000 0.527 359 K N -0.850 119.339 120.400 -0.351 0.000 2.439 359 K HA 0.738 5.058 4.320 -0.000 0.000 0.260 359 K C -0.428 175.699 176.600 -0.787 0.000 1.032 359 K CA -0.505 55.568 56.287 -0.358 0.000 0.882 359 K CB 1.136 33.555 32.500 -0.136 0.000 1.420 359 K HN 0.110 nan 8.250 nan 0.000 0.455 360 T N -0.074 114.262 114.554 -0.364 0.000 2.900 360 T HA 0.378 4.728 4.350 -0.000 0.000 0.307 360 T C -0.333 174.289 174.700 -0.131 0.000 1.065 360 T CA -0.174 61.817 62.100 -0.182 0.000 1.105 360 T CB 0.278 69.204 68.868 0.098 0.000 0.979 360 T HN 0.607 nan 8.240 nan 0.000 0.544 361 A N 2.992 125.804 122.820 -0.013 0.000 2.320 361 A HA 0.717 5.037 4.320 -0.000 0.000 0.334 361 A C 0.249 177.830 177.584 -0.005 0.000 1.147 361 A CA -0.759 51.264 52.037 -0.023 0.000 0.820 361 A CB 0.918 19.916 19.000 -0.003 0.000 1.218 361 A HN 0.894 nan 8.150 nan 0.000 0.482 362 T N -0.376 114.118 114.554 -0.100 0.000 2.779 362 T HA 0.596 4.946 4.350 -0.000 0.000 0.280 362 T C -0.663 173.860 174.700 -0.296 0.000 0.987 362 T CA -0.588 61.430 62.100 -0.137 0.000 0.966 362 T CB 1.157 69.979 68.868 -0.077 0.000 0.933 362 T HN 0.489 nan 8.240 nan 0.000 0.442 363 V N 2.756 122.397 119.914 -0.456 0.000 2.407 363 V HA 0.337 4.457 4.120 -0.000 0.000 0.291 363 V C 0.325 176.323 176.094 -0.160 0.000 1.018 363 V CA -0.910 61.084 62.300 -0.511 0.000 0.842 363 V CB 1.400 32.474 31.823 -1.249 0.000 0.996 363 V HN 0.997 nan 8.190 nan 0.000 0.426 364 E N 3.113 123.269 120.200 -0.073 0.000 2.415 364 E HA 0.355 4.705 4.350 -0.000 0.000 0.263 364 E C 1.292 177.905 176.600 0.021 0.000 0.995 364 E CA 1.081 57.470 56.400 -0.018 0.000 0.915 364 E CB 0.687 30.368 29.700 -0.031 0.000 0.951 364 E HN 1.055 nan 8.360 nan 0.000 0.449 365 G N 3.872 112.626 108.800 -0.077 0.000 2.179 365 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 365 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 365 G C 0.217 174.788 174.900 -0.549 0.000 0.977 365 G CA 0.326 45.252 45.100 -0.289 0.000 0.641 365 G HN 0.550 nan 8.290 nan 0.000 0.533 366 F N 0.533 120.514 119.950 0.051 0.000 2.790 366 F HA 0.434 4.961 4.527 -0.000 0.000 0.371 366 F C 1.246 177.227 175.800 0.302 0.000 1.293 366 F CA -0.263 57.857 58.000 0.200 0.000 1.205 366 F CB 0.869 40.041 39.000 0.288 0.000 1.047 366 F HN 0.064 nan 8.300 nan 0.000 0.510 367 E N 0.029 120.378 120.200 0.249 0.000 2.418 367 E HA -0.023 4.327 4.350 -0.000 0.000 0.197 367 E C 2.382 179.121 176.600 0.231 0.000 1.026 367 E CA 0.848 57.381 56.400 0.222 0.000 0.862 367 E CB -0.133 29.629 29.700 0.103 0.000 0.799 367 E HN 0.448 nan 8.360 nan 0.000 0.518 368 G N 0.390 109.315 108.800 0.208 0.000 2.813 368 G HA2 0.044 4.004 3.960 -0.000 0.000 0.209 368 G HA3 0.044 4.004 3.960 -0.000 0.000 0.209 368 G C 0.830 175.812 174.900 0.137 0.000 1.150 368 G CA 0.251 45.437 45.100 0.143 0.000 0.785 368 G HN 0.322 nan 8.290 nan 0.000 0.535 369 G N -0.939 108.012 108.800 0.252 0.000 2.616 369 G HA2 0.329 4.289 3.960 -0.000 0.000 0.268 369 G HA3 0.329 4.289 3.960 -0.000 0.000 0.268 369 G C -0.401 174.332 174.900 -0.280 0.000 1.213 369 G CA -0.296 44.772 45.100 -0.053 0.000 0.926 369 G HN 0.166 nan 8.290 nan 0.000 0.523 370 C N 0.866 119.787 119.300 -0.631 0.000 2.170 370 C HA 0.412 4.872 4.460 -0.000 0.000 0.339 370 C C -0.691 174.067 174.990 -0.387 0.000 1.056 370 C CA -0.876 57.922 59.018 -0.367 0.000 1.535 370 C CB -1.997 25.582 27.740 -0.268 0.000 1.785 370 C HN 0.542 nan 8.230 nan 0.000 0.440 371 W N 1.330 122.686 121.300 0.093 0.000 2.573 371 W HA 0.601 5.261 4.660 -0.000 0.000 0.326 371 W C -0.292 176.331 176.519 0.172 0.000 1.049 371 W CA -0.731 56.673 57.345 0.099 0.000 1.220 371 W CB 0.895 30.386 29.460 0.053 0.000 1.373 371 W HN 0.469 nan 8.180 nan 0.000 0.507 372 Y N 1.350 121.808 120.300 0.262 0.000 2.492 372 Y HA 0.285 4.835 4.550 -0.000 0.000 0.346 372 Y C 0.067 176.049 175.900 0.137 0.000 0.997 372 Y CA -1.228 56.971 58.100 0.166 0.000 1.025 372 Y CB 1.691 40.226 38.460 0.124 0.000 1.263 372 Y HN 0.400 nan 8.280 nan 0.000 0.454 373 E N 6.155 126.242 120.200 -0.187 0.000 2.384 373 E HA 0.152 4.502 4.350 -0.000 0.000 0.266 373 E C -2.453 174.179 176.600 0.054 0.000 1.012 373 E CA -1.730 54.608 56.400 -0.103 0.000 0.901 373 E CB 0.458 30.029 29.700 -0.215 0.000 0.967 373 E HN 0.296 nan 8.360 nan 0.000 0.435 374 P HA -0.049 nan 4.420 nan 0.000 0.261 374 P C -1.071 176.248 177.300 0.032 0.000 1.183 374 P CA 0.491 63.554 63.100 -0.062 0.000 0.761 374 P CB 0.548 31.875 31.700 -0.623 0.000 0.785 375 T N 2.898 117.629 114.554 0.294 0.000 2.824 375 T HA 0.450 4.800 4.350 -0.000 0.000 0.282 375 T C -0.503 174.354 174.700 0.262 0.000 0.993 375 T CA -0.428 61.807 62.100 0.225 0.000 0.967 375 T CB 1.038 70.069 68.868 0.271 0.000 0.960 375 T HN -0.042 nan 8.240 nan 0.000 0.441 376 V N 4.479 124.491 119.914 0.164 0.000 2.487 376 V HA 0.520 4.640 4.120 -0.000 0.000 0.298 376 V C -1.088 175.076 176.094 0.117 0.000 1.028 376 V CA -0.856 61.548 62.300 0.174 0.000 0.860 376 V CB 1.717 33.637 31.823 0.163 0.000 0.991 376 V HN 0.593 nan 8.190 nan 0.000 0.427 377 L N 6.162 127.452 121.223 0.113 0.000 2.333 377 L HA 0.747 5.087 4.340 -0.000 0.000 0.280 377 L C -0.007 176.923 176.870 0.099 0.000 1.004 377 L CA -0.108 54.782 54.840 0.083 0.000 0.820 377 L CB 1.794 43.886 42.059 0.055 0.000 1.247 377 L HN 0.615 nan 8.230 nan 0.000 0.416 378 V N -0.764 119.212 119.914 0.102 0.000 3.158 378 V HA 0.702 4.822 4.120 -0.000 0.000 0.315 378 V C -0.330 175.816 176.094 0.086 0.000 1.148 378 V CA -0.917 61.463 62.300 0.135 0.000 1.042 378 V CB 1.923 33.864 31.823 0.196 0.000 1.101 378 V HN 0.778 nan 8.190 nan 0.000 0.448 379 D N -0.612 119.833 120.400 0.074 0.000 2.746 379 D HA -0.128 4.512 4.640 -0.000 0.000 0.236 379 D C -0.226 176.087 176.300 0.022 0.000 1.129 379 D CA 0.915 54.933 54.000 0.030 0.000 0.691 379 D CB -1.175 39.642 40.800 0.028 0.000 1.077 379 D HN 0.624 nan 8.370 nan 0.000 0.432 380 V N 0.751 120.680 119.914 0.025 0.000 2.370 380 V HA 0.226 4.346 4.120 -0.000 0.000 0.279 380 V C 0.893 176.988 176.094 0.002 0.000 1.029 380 V CA -0.682 61.627 62.300 0.015 0.000 0.870 380 V CB 1.846 33.678 31.823 0.015 0.000 0.984 380 V HN 0.011 nan 8.190 nan 0.000 0.451 381 K N 2.979 123.373 120.400 -0.010 0.000 2.098 381 K HA 0.410 4.730 4.320 -0.000 0.000 0.257 381 K C 0.748 177.302 176.600 -0.076 0.000 0.999 381 K CA -0.752 55.514 56.287 -0.036 0.000 0.924 381 K CB 1.231 33.714 32.500 -0.027 0.000 1.028 381 K HN 0.395 nan 8.250 nan 0.000 0.466 382 Q N 1.627 121.301 119.800 -0.211 0.000 2.197 382 Q HA -0.214 4.126 4.340 -0.000 0.000 0.207 382 Q C 0.991 176.987 176.000 -0.006 0.000 0.984 382 Q CA 2.375 57.980 55.803 -0.330 0.000 0.869 382 Q CB -0.287 27.873 28.738 -0.963 0.000 0.906 382 Q HN 0.784 nan 8.270 nan 0.000 0.426 383 D N -1.048 119.352 120.400 0.001 0.000 2.349 383 D HA -0.056 4.584 4.640 -0.000 0.000 0.224 383 D C -0.006 176.308 176.300 0.022 0.000 1.029 383 D CA -0.113 53.904 54.000 0.028 0.000 0.879 383 D CB -0.695 40.076 40.800 -0.048 0.000 0.906 383 D HN 0.151 nan 8.370 nan 0.000 0.528 384 N N 0.999 119.741 118.700 0.071 0.000 2.454 384 N HA -0.065 4.675 4.740 -0.000 0.000 0.254 384 N C 1.215 176.808 175.510 0.138 0.000 1.228 384 N CA -0.309 52.779 53.050 0.064 0.000 0.900 384 N CB 0.934 39.445 38.487 0.041 0.000 1.089 384 N HN 0.004 nan 8.380 nan 0.000 0.449 385 I N 4.491 125.105 120.570 0.073 0.000 2.185 385 I HA -0.247 3.923 4.170 -0.000 0.000 0.246 385 I C 2.033 178.229 176.117 0.132 0.000 1.088 385 I CA 1.484 62.837 61.300 0.088 0.000 1.347 385 I CB -0.251 37.773 38.000 0.039 0.000 1.041 385 I HN 0.498 nan 8.210 nan 0.000 0.415 386 V N -0.244 119.722 119.914 0.085 0.000 3.141 386 V HA -0.102 4.018 4.120 -0.000 0.000 0.265 386 V C 2.103 178.223 176.094 0.042 0.000 1.126 386 V CA 1.392 63.727 62.300 0.058 0.000 1.141 386 V CB -0.121 31.718 31.823 0.027 0.000 0.743 386 V HN 0.346 nan 8.190 nan 0.000 0.492 387 V N -0.260 119.689 119.914 0.059 0.000 3.129 387 V HA -0.047 4.073 4.120 -0.000 0.000 0.259 387 V C 1.958 177.935 176.094 -0.194 0.000 1.116 387 V CA 1.621 63.881 62.300 -0.067 0.000 1.127 387 V CB -0.813 30.955 31.823 -0.092 0.000 0.742 387 V HN 0.691 nan 8.190 nan 0.000 0.474 388 H N -0.532 118.575 119.070 0.061 0.000 2.408 388 H HA 0.259 4.815 4.556 -0.000 0.000 0.271 388 H C 0.862 176.278 175.328 0.146 0.000 0.957 388 H CA -0.093 56.013 56.048 0.096 0.000 1.170 388 H CB 0.952 30.749 29.762 0.059 0.000 1.458 388 H HN 0.390 nan 8.280 nan 0.000 0.491 389 E N 2.625 122.968 120.200 0.239 0.000 2.257 389 E HA 0.023 4.373 4.350 -0.000 0.000 0.278 389 E C -0.172 176.522 176.600 0.158 0.000 1.049 389 E CA -0.138 56.382 56.400 0.201 0.000 0.876 389 E CB 0.914 30.708 29.700 0.157 0.000 1.035 389 E HN 0.253 nan 8.360 nan 0.000 0.419 390 E N 2.786 123.082 120.200 0.160 0.000 2.414 390 E HA -0.055 4.295 4.350 -0.000 0.000 0.263 390 E C 0.407 177.067 176.600 0.099 0.000 1.000 390 E CA 0.509 56.952 56.400 0.071 0.000 0.914 390 E CB 0.747 30.419 29.700 -0.048 0.000 0.948 390 E HN 0.704 nan 8.360 nan 0.000 0.444 391 T N 1.901 116.515 114.554 0.099 0.000 3.018 391 T HA 0.016 4.366 4.350 -0.000 0.000 0.246 391 T C 0.927 175.743 174.700 0.194 0.000 1.026 391 T CA 0.076 62.240 62.100 0.106 0.000 1.081 391 T CB -0.268 68.628 68.868 0.046 0.000 0.970 391 T HN 0.666 nan 8.240 nan 0.000 0.475 392 F N 1.848 121.790 119.950 -0.012 0.000 3.067 392 F HA -0.083 4.444 4.527 -0.000 0.000 0.279 392 F C 0.412 176.239 175.800 0.044 0.000 0.945 392 F CA 0.511 58.515 58.000 0.006 0.000 0.948 392 F CB -1.026 37.987 39.000 0.022 0.000 0.898 392 F HN 0.741 nan 8.300 nan 0.000 0.746 393 G N 0.010 108.798 108.800 -0.020 0.000 2.559 393 G HA2 0.509 4.469 3.960 -0.000 0.000 0.291 393 G HA3 0.509 4.469 3.960 -0.000 0.000 0.291 393 G C -3.221 171.673 174.900 -0.009 0.000 1.424 393 G CA -0.513 44.578 45.100 -0.016 0.000 0.786 393 G HN -0.174 nan 8.290 nan 0.000 0.485 394 P HA 0.358 nan 4.420 nan 0.000 0.225 394 P C -0.796 176.679 177.300 0.291 0.000 1.768 394 P CA -0.032 63.217 63.100 0.248 0.000 0.943 394 P CB -0.351 31.629 31.700 0.468 0.000 1.936 395 I N 1.752 122.368 120.570 0.078 0.000 2.447 395 I HA 0.301 4.471 4.170 -0.000 0.000 0.287 395 I C -0.484 175.631 176.117 -0.003 0.000 1.023 395 I CA -0.743 60.612 61.300 0.092 0.000 1.083 395 I CB 2.428 40.461 38.000 0.055 0.000 1.245 395 I HN -0.097 nan 8.210 nan 0.000 0.434 396 L N 10.025 131.277 121.223 0.047 0.000 2.377 396 L HA 0.708 5.048 4.340 -0.000 0.000 0.270 396 L C -2.571 174.326 176.870 0.044 0.000 0.991 396 L CA -1.689 53.153 54.840 0.004 0.000 0.851 396 L CB 1.470 43.525 42.059 -0.007 0.000 1.218 396 L HN 0.244 nan 8.230 nan 0.000 0.420 397 P HA 0.319 nan 4.420 nan 0.000 0.278 397 P C -0.957 176.318 177.300 -0.043 0.000 1.238 397 P CA -0.079 63.014 63.100 -0.011 0.000 0.794 397 P CB 1.258 32.933 31.700 -0.042 0.000 0.955 398 I N 2.158 122.738 120.570 0.016 0.000 2.439 398 I HA 0.285 4.455 4.170 -0.000 0.000 0.283 398 I C -0.387 175.770 176.117 0.067 0.000 1.023 398 I CA -1.050 60.272 61.300 0.036 0.000 1.100 398 I CB 2.023 40.122 38.000 0.165 0.000 1.238 398 I HN -0.040 nan 8.210 nan 0.000 0.445 399 V N 6.429 126.346 119.914 0.004 0.000 2.459 399 V HA 0.322 4.442 4.120 -0.000 0.000 0.295 399 V C 0.319 176.551 176.094 0.230 0.000 1.029 399 V CA -0.887 61.481 62.300 0.113 0.000 0.874 399 V CB 1.980 33.895 31.823 0.153 0.000 0.985 399 V HN 0.636 nan 8.190 nan 0.000 0.438 400 K N 3.048 123.537 120.400 0.148 0.000 2.270 400 K HA 0.588 4.908 4.320 -0.000 0.000 0.276 400 K C -0.400 176.300 176.600 0.166 0.000 1.023 400 K CA -0.250 56.090 56.287 0.088 0.000 0.955 400 K CB 1.574 34.008 32.500 -0.110 0.000 0.975 400 K HN 0.632 nan 8.250 nan 0.000 0.471 401 V N -1.382 118.563 119.914 0.052 0.000 3.040 401 V HA 0.420 4.540 4.120 -0.000 0.000 0.312 401 V C 0.339 176.253 176.094 -0.300 0.000 1.115 401 V CA -0.633 61.612 62.300 -0.092 0.000 0.998 401 V CB 1.961 33.715 31.823 -0.116 0.000 1.042 401 V HN 0.841 nan 8.190 nan 0.000 0.433 402 S N 0.114 115.611 115.700 -0.338 0.000 2.559 402 S HA 0.421 4.891 4.470 -0.000 0.000 0.226 402 S C 0.635 175.040 174.600 -0.325 0.000 1.030 402 S CA 0.370 58.318 58.200 -0.419 0.000 0.956 402 S CB -0.202 62.862 63.200 -0.226 0.000 0.900 402 S HN 1.697 nan 8.310 nan 0.000 0.510 403 S N -0.026 115.547 115.700 -0.212 0.000 2.671 403 S HA 0.615 5.085 4.470 -0.000 0.000 0.277 403 S C 0.398 174.957 174.600 -0.068 0.000 1.165 403 S CA -0.659 57.508 58.200 -0.056 0.000 0.822 403 S CB 1.144 64.301 63.200 -0.072 0.000 1.150 403 S HN -0.019 nan 8.310 nan 0.000 0.479 404 M N 1.070 120.654 119.600 -0.027 0.000 2.132 404 M HA 0.129 4.609 4.480 -0.000 0.000 0.263 404 M C 1.585 177.814 176.300 -0.118 0.000 1.065 404 M CA 1.923 57.189 55.300 -0.058 0.000 1.122 404 M CB -1.160 31.418 32.600 -0.036 0.000 1.365 404 M HN 0.826 nan 8.290 nan 0.000 0.411 405 E N -0.000 120.131 120.200 -0.115 0.000 2.070 405 E HA -0.287 4.063 4.350 -0.000 0.000 0.197 405 E C 2.014 178.485 176.600 -0.214 0.000 1.004 405 E CA 1.957 58.277 56.400 -0.133 0.000 0.805 405 E CB -0.513 29.125 29.700 -0.104 0.000 0.744 405 E HN 0.732 nan 8.360 nan 0.000 0.451 406 Q N -0.062 119.560 119.800 -0.296 0.000 2.079 406 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 406 Q C 2.098 177.649 176.000 -0.747 0.000 0.974 406 Q CA 1.517 56.998 55.803 -0.536 0.000 0.840 406 Q CB -0.192 28.192 28.738 -0.591 0.000 0.898 406 Q HN 0.292 nan 8.270 nan 0.000 0.430 407 A N 0.872 123.376 122.820 -0.527 0.000 1.908 407 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 407 A C 2.006 179.373 177.584 -0.361 0.000 1.181 407 A CA 1.502 53.254 52.037 -0.476 0.000 0.627 407 A CB -0.720 18.136 19.000 -0.239 0.000 0.818 407 A HN 0.513 nan 8.150 nan 0.000 0.445 408 I N -0.764 119.665 120.570 -0.236 0.000 2.315 408 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 408 I C 2.488 178.537 176.117 -0.114 0.000 1.117 408 I CA 1.569 62.782 61.300 -0.145 0.000 1.404 408 I CB -0.400 37.536 38.000 -0.107 0.000 1.071 408 I HN 0.413 nan 8.210 nan 0.000 0.419 409 E N 0.430 120.547 120.200 -0.139 0.000 2.051 409 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 409 E C 2.148 178.800 176.600 0.087 0.000 0.991 409 E CA 1.406 57.782 56.400 -0.040 0.000 0.799 409 E CB -0.080 29.586 29.700 -0.056 0.000 0.748 409 E HN 0.289 nan 8.360 nan 0.000 0.449 410 F N 0.564 120.371 119.950 -0.239 0.000 2.102 410 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 410 F C 2.464 178.119 175.800 -0.241 0.000 1.105 410 F CA 0.350 58.164 58.000 -0.310 0.000 1.239 410 F CB -1.290 37.290 39.000 -0.699 0.000 0.991 410 F HN 0.169 nan 8.300 nan 0.000 0.474 411 C N 0.583 119.830 119.300 -0.088 0.000 2.393 411 C HA -0.222 4.238 4.460 -0.000 0.000 0.276 411 C C 2.477 177.494 174.990 0.046 0.000 1.215 411 C CA 1.270 60.298 59.018 0.017 0.000 1.743 411 C CB -1.254 26.478 27.740 -0.014 0.000 2.044 411 C HN 0.443 nan 8.230 nan 0.000 0.464 412 N N 0.751 119.467 118.700 0.027 0.000 2.520 412 N HA -0.058 4.682 4.740 -0.000 0.000 0.185 412 N C 0.351 175.901 175.510 0.067 0.000 1.068 412 N CA 0.840 53.916 53.050 0.044 0.000 0.911 412 N CB -0.560 37.947 38.487 0.033 0.000 0.961 412 N HN 0.562 nan 8.380 nan 0.000 0.446 413 D N 0.633 121.082 120.400 0.082 0.000 2.545 413 D HA 0.148 4.788 4.640 -0.000 0.000 0.227 413 D C -0.833 175.529 176.300 0.103 0.000 1.150 413 D CA 0.127 54.192 54.000 0.109 0.000 1.046 413 D CB -0.229 40.656 40.800 0.142 0.000 1.098 413 D HN -0.095 nan 8.370 nan 0.000 0.502 414 S N 1.725 117.484 115.700 0.099 0.000 2.552 414 S HA 0.246 4.716 4.470 -0.000 0.000 0.272 414 S C 0.705 175.322 174.600 0.028 0.000 1.150 414 S CA -0.826 57.431 58.200 0.095 0.000 0.849 414 S CB 0.455 63.724 63.200 0.115 0.000 1.113 414 S HN 0.298 nan 8.310 nan 0.000 0.458 415 I N 0.439 120.950 120.570 -0.098 0.000 3.578 415 I HA 0.372 4.542 4.170 -0.000 0.000 0.295 415 I C -0.222 175.684 176.117 -0.353 0.000 1.280 415 I CA 0.000 61.139 61.300 -0.268 0.000 1.347 415 I CB -0.268 37.483 38.000 -0.414 0.000 1.051 415 I HN 0.416 nan 8.210 nan 0.000 0.460 416 Y N 1.252 121.585 120.300 0.055 0.000 2.488 416 Y HA 0.706 5.256 4.550 -0.000 0.000 0.325 416 Y C 0.973 176.900 175.900 0.044 0.000 1.204 416 Y CA -0.795 57.333 58.100 0.046 0.000 1.229 416 Y CB 1.761 40.243 38.460 0.036 0.000 1.274 416 Y HN -0.064 nan 8.280 nan 0.000 0.493 417 G N 0.983 109.916 108.800 0.220 0.000 4.973 417 G HA2 0.208 4.168 3.960 -0.000 0.000 0.211 417 G HA3 0.208 4.168 3.960 -0.000 0.000 0.211 417 G C -0.410 174.477 174.900 -0.022 0.000 0.784 417 G CA -0.146 45.013 45.100 0.097 0.000 0.657 417 G HN 0.522 nan 8.290 nan 0.000 0.480 418 L N 0.048 121.251 121.223 -0.034 0.000 2.185 418 L HA 0.594 4.934 4.340 -0.000 0.000 0.198 418 L C 0.683 177.439 176.870 -0.189 0.000 1.079 418 L CA 1.288 56.052 54.840 -0.127 0.000 0.780 418 L CB 0.243 42.252 42.059 -0.084 0.000 0.955 418 L HN 0.102 nan 8.230 nan 0.000 0.462 419 S N -1.026 114.592 115.700 -0.136 0.000 2.546 419 S HA 0.862 5.332 4.470 -0.000 0.000 0.274 419 S C -1.135 173.323 174.600 -0.237 0.000 1.121 419 S CA -0.221 57.875 58.200 -0.173 0.000 0.887 419 S CB 1.945 65.061 63.200 -0.141 0.000 1.094 419 S HN 0.477 nan 8.310 nan 0.000 0.474 420 A N 1.904 124.517 122.820 -0.345 0.000 2.488 420 A HA 0.788 5.108 4.320 -0.000 0.000 0.298 420 A C -2.152 175.213 177.584 -0.364 0.000 1.044 420 A CA -0.628 51.247 52.037 -0.269 0.000 0.693 420 A CB 0.916 19.845 19.000 -0.118 0.000 1.272 420 A HN 0.699 nan 8.150 nan 0.000 0.402 421 Y N 0.756 121.091 120.300 0.058 0.000 2.364 421 Y HA 0.579 5.129 4.550 -0.000 0.000 0.340 421 Y C -0.086 175.844 175.900 0.051 0.000 0.975 421 Y CA -0.885 57.248 58.100 0.056 0.000 1.089 421 Y CB 2.301 40.765 38.460 0.005 0.000 1.192 421 Y HN 0.404 nan 8.280 nan 0.000 0.454 422 V N 3.522 123.518 119.914 0.136 0.000 2.483 422 V HA 0.284 4.404 4.120 -0.000 0.000 0.297 422 V C -0.609 175.485 176.094 -0.001 0.000 1.027 422 V CA -0.896 61.451 62.300 0.079 0.000 0.855 422 V CB 1.261 33.099 31.823 0.026 0.000 0.995 422 V HN 0.738 nan 8.190 nan 0.000 0.424 423 H N 2.938 122.042 119.070 0.057 0.000 2.597 423 H HA 0.631 5.187 4.556 -0.000 0.000 0.303 423 H C -0.267 175.076 175.328 0.025 0.000 1.057 423 H CA 0.176 56.249 56.048 0.043 0.000 1.261 423 H CB 1.776 31.556 29.762 0.029 0.000 1.397 423 H HN 0.694 nan 8.280 nan 0.000 0.461 424 T N 2.724 117.330 114.554 0.087 0.000 3.225 424 T HA 0.056 4.406 4.350 -0.000 0.000 0.356 424 T C 0.392 175.123 174.700 0.053 0.000 1.460 424 T CA -0.566 61.569 62.100 0.059 0.000 1.126 424 T CB 1.452 70.339 68.868 0.032 0.000 1.321 424 T HN 0.654 nan 8.240 nan 0.000 0.478 425 Q N 1.241 121.072 119.800 0.052 0.000 2.425 425 Q HA 0.162 4.502 4.340 -0.000 0.000 0.204 425 Q C 0.624 176.664 176.000 0.066 0.000 0.933 425 Q CA 0.044 55.880 55.803 0.055 0.000 0.939 425 Q CB 0.459 29.224 28.738 0.045 0.000 1.044 425 Q HN 0.510 nan 8.270 nan 0.000 0.513 426 S N -0.263 115.473 115.700 0.059 0.000 2.465 426 S HA 0.104 4.574 4.470 -0.000 0.000 0.279 426 S C 0.418 175.087 174.600 0.116 0.000 1.201 426 S CA -0.594 57.652 58.200 0.076 0.000 1.053 426 S CB 0.354 63.575 63.200 0.034 0.000 0.953 426 S HN 0.379 nan 8.310 nan 0.000 0.488 427 F N 5.251 125.196 119.950 -0.008 0.000 2.186 427 F HA 0.036 4.563 4.527 -0.000 0.000 0.299 427 F C 2.171 177.965 175.800 -0.011 0.000 1.090 427 F CA 1.408 59.403 58.000 -0.009 0.000 1.307 427 F CB -0.367 38.629 39.000 -0.007 0.000 1.019 427 F HN 0.769 nan 8.300 nan 0.000 0.489 428 A N 0.797 123.574 122.820 -0.071 0.000 1.883 428 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 428 A C 1.945 179.440 177.584 -0.148 0.000 1.186 428 A CA 2.142 54.089 52.037 -0.150 0.000 0.624 428 A CB -0.966 18.009 19.000 -0.042 0.000 0.822 428 A HN 0.490 nan 8.150 nan 0.000 0.444 429 N N -0.097 118.555 118.700 -0.081 0.000 2.188 429 N HA -0.038 4.702 4.740 -0.000 0.000 0.184 429 N C 1.600 177.061 175.510 -0.083 0.000 1.018 429 N CA 1.305 54.316 53.050 -0.065 0.000 0.858 429 N CB -0.458 38.012 38.487 -0.028 0.000 0.989 429 N HN 0.571 nan 8.380 nan 0.000 0.426 430 I N 1.234 121.751 120.570 -0.088 0.000 2.142 430 I HA -0.270 3.900 4.170 -0.000 0.000 0.240 430 I C 1.699 177.726 176.117 -0.150 0.000 1.078 430 I CA 0.982 62.229 61.300 -0.089 0.000 1.343 430 I CB -0.246 37.737 38.000 -0.029 0.000 1.046 430 I HN 0.120 nan 8.210 nan 0.000 0.405 431 N N 0.401 118.941 118.700 -0.267 0.000 2.166 431 N HA -0.236 4.504 4.740 -0.000 0.000 0.186 431 N C 1.810 177.219 175.510 -0.169 0.000 1.019 431 N CA 1.176 54.065 53.050 -0.268 0.000 0.856 431 N CB -0.376 37.853 38.487 -0.429 0.000 0.993 431 N HN 0.479 nan 8.380 nan 0.000 0.426 432 Q N 0.526 120.236 119.800 -0.149 0.000 2.050 432 Q HA -0.055 4.285 4.340 -0.000 0.000 0.202 432 Q C 1.931 177.877 176.000 -0.090 0.000 0.980 432 Q CA 1.538 57.279 55.803 -0.105 0.000 0.840 432 Q CB -0.049 28.634 28.738 -0.091 0.000 0.898 432 Q HN 0.360 nan 8.270 nan 0.000 0.424 433 A N 0.762 123.529 122.820 -0.090 0.000 1.883 433 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 433 A C 1.974 179.502 177.584 -0.094 0.000 1.186 433 A CA 1.414 53.401 52.037 -0.083 0.000 0.624 433 A CB -0.718 18.240 19.000 -0.069 0.000 0.822 433 A HN 0.463 nan 8.150 nan 0.000 0.444 434 I N -0.590 119.922 120.570 -0.097 0.000 2.286 434 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 434 I C 2.863 178.932 176.117 -0.080 0.000 1.115 434 I CA 1.515 62.757 61.300 -0.097 0.000 1.392 434 I CB -0.169 37.779 38.000 -0.088 0.000 1.065 434 I HN 0.459 nan 8.210 nan 0.000 0.418 435 S N 0.393 116.051 115.700 -0.071 0.000 2.371 435 S HA -0.168 4.302 4.470 -0.000 0.000 0.224 435 S C 1.548 176.132 174.600 -0.027 0.000 1.029 435 S CA 1.747 59.921 58.200 -0.043 0.000 0.978 435 S CB -0.055 63.115 63.200 -0.050 0.000 0.833 435 S HN 0.368 nan 8.310 nan 0.000 0.466 436 D N 0.255 120.629 120.400 -0.044 0.000 2.423 436 D HA 0.285 4.925 4.640 -0.000 0.000 0.208 436 D C 0.011 176.289 176.300 -0.036 0.000 1.068 436 D CA -0.015 53.968 54.000 -0.028 0.000 0.860 436 D CB 0.035 40.811 40.800 -0.039 0.000 0.992 436 D HN 0.355 nan 8.370 nan 0.000 0.504 437 L N 1.715 122.891 121.223 -0.078 0.000 2.410 437 L HA 0.132 4.472 4.340 -0.000 0.000 0.273 437 L C 0.506 177.277 176.870 -0.165 0.000 1.144 437 L CA 0.192 54.967 54.840 -0.108 0.000 0.863 437 L CB 0.663 42.642 42.059 -0.134 0.000 1.140 437 L HN -0.226 nan 8.230 nan 0.000 0.463 438 E N 3.647 123.788 120.200 -0.098 0.000 2.232 438 E HA 0.180 4.530 4.350 -0.000 0.000 0.296 438 E C -0.697 175.747 176.600 -0.260 0.000 1.372 438 E CA -0.250 56.126 56.400 -0.041 0.000 1.527 438 E CB 0.328 30.146 29.700 0.196 0.000 1.424 438 E HN 0.416 nan 8.360 nan 0.000 0.485 439 V N -3.165 116.316 119.914 -0.723 0.000 3.040 439 V HA 0.654 4.774 4.120 -0.000 0.000 0.312 439 V C 1.038 176.298 176.094 -1.390 0.000 1.115 439 V CA -0.818 61.022 62.300 -0.766 0.000 0.998 439 V CB 1.620 33.202 31.823 -0.403 0.000 1.042 439 V HN 0.216 nan 8.190 nan 0.000 0.433 440 G N 0.533 108.651 108.800 -1.137 0.000 2.650 440 G HA2 0.188 4.148 3.960 -0.000 0.000 0.214 440 G HA3 0.188 4.148 3.960 -0.000 0.000 0.214 440 G C 0.357 174.956 174.900 -0.502 0.000 1.136 440 G CA 0.328 44.880 45.100 -0.914 0.000 0.789 440 G HN 0.810 nan 8.290 nan 0.000 0.536 441 E N -0.264 119.673 120.200 -0.438 0.000 2.281 441 E HA 0.410 4.760 4.350 -0.000 0.000 0.266 441 E C -1.504 174.907 176.600 -0.315 0.000 0.893 441 E CA -0.509 55.685 56.400 -0.342 0.000 0.798 441 E CB 2.869 32.447 29.700 -0.203 0.000 1.245 441 E HN -0.071 nan 8.360 nan 0.000 0.410 442 V N 3.614 123.320 119.914 -0.347 0.000 2.435 442 V HA 0.380 4.500 4.120 -0.000 0.000 0.290 442 V C -1.001 174.930 176.094 -0.272 0.000 1.030 442 V CA -0.610 61.546 62.300 -0.239 0.000 0.881 442 V CB 0.652 32.354 31.823 -0.201 0.000 0.983 442 V HN 0.582 nan 8.190 nan 0.000 0.445 443 Y N 4.391 124.562 120.300 -0.217 0.000 2.328 443 Y HA 0.563 5.113 4.550 -0.000 0.000 0.336 443 Y C -0.015 175.853 175.900 -0.054 0.000 0.960 443 Y CA -1.035 57.009 58.100 -0.093 0.000 1.134 443 Y CB 1.699 40.161 38.460 0.004 0.000 1.166 443 Y HN 0.350 nan 8.280 nan 0.000 0.464 444 I N 4.477 125.086 120.570 0.065 0.000 2.312 444 I HA 0.144 4.314 4.170 -0.000 0.000 0.290 444 I C -0.076 176.009 176.117 -0.053 0.000 1.008 444 I CA -0.636 60.660 61.300 -0.007 0.000 1.226 444 I CB 0.705 38.699 38.000 -0.012 0.000 1.371 444 I HN 0.795 nan 8.210 nan 0.000 0.468 445 N N 4.783 123.346 118.700 -0.228 0.000 2.754 445 N HA -0.245 4.495 4.740 -0.000 0.000 0.248 445 N C -0.178 175.164 175.510 -0.279 0.000 1.093 445 N CA 0.795 53.579 53.050 -0.443 0.000 0.699 445 N CB -0.700 37.695 38.487 -0.152 0.000 1.016 445 N HN 0.820 nan 8.380 nan 0.000 0.552 446 R N -2.918 117.485 120.500 -0.161 0.000 2.762 446 R HA 0.841 5.181 4.340 -0.000 0.000 0.271 446 R C 0.451 176.846 176.300 0.159 0.000 1.038 446 R CA -0.477 55.679 56.100 0.094 0.000 0.906 446 R CB 0.100 30.482 30.300 0.138 0.000 1.259 446 R HN -0.041 nan 8.270 nan 0.000 0.457 447 G N -0.195 108.657 108.800 0.086 0.000 2.890 447 G HA2 0.427 4.387 3.960 -0.000 0.000 0.189 447 G HA3 0.427 4.387 3.960 -0.000 0.000 0.189 447 G C -0.551 174.209 174.900 -0.234 0.000 1.342 447 G CA -1.229 43.759 45.100 -0.188 0.000 1.026 447 G HN 0.476 nan 8.290 nan 0.000 0.579 448 M N 0.777 120.147 119.600 -0.382 0.000 2.250 448 M HA 0.371 4.851 4.480 -0.000 0.000 0.337 448 M C 0.525 176.795 176.300 -0.050 0.000 1.161 448 M CA 1.612 56.786 55.300 -0.210 0.000 1.088 448 M CB 0.280 32.793 32.600 -0.146 0.000 1.639 448 M HN 0.924 nan 8.290 nan 0.000 0.447 449 G N 4.154 112.967 108.800 0.020 0.000 2.588 449 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.239 449 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.239 449 G C -0.879 174.143 174.900 0.203 0.000 1.275 449 G CA -0.826 44.318 45.100 0.074 0.000 1.181 449 G HN 0.760 nan 8.290 nan 0.000 0.595 450 E N 1.866 122.175 120.200 0.183 0.000 2.312 450 E HA 0.611 4.961 4.350 -0.000 0.000 0.259 450 E C -0.366 176.253 176.600 0.031 0.000 1.122 450 E CA -0.408 56.105 56.400 0.189 0.000 0.922 450 E CB 1.559 31.406 29.700 0.245 0.000 1.109 450 E HN 0.527 nan 8.360 nan 0.000 0.442 451 Q N -0.615 119.189 119.800 0.005 0.000 2.433 451 Q HA 0.243 4.583 4.340 -0.000 0.000 0.279 451 Q C 0.483 176.436 176.000 -0.078 0.000 1.105 451 Q CA -0.979 54.744 55.803 -0.133 0.000 0.815 451 Q CB 1.548 30.211 28.738 -0.125 0.000 1.403 451 Q HN 0.538 nan 8.270 nan 0.000 0.435 452 H N 0.910 119.798 119.070 -0.303 0.000 2.421 452 H HA -0.139 4.417 4.556 -0.000 0.000 0.298 452 H C 1.808 176.703 175.328 -0.721 0.000 1.087 452 H CA 1.489 57.249 56.048 -0.479 0.000 1.330 452 H CB 0.264 29.656 29.762 -0.616 0.000 1.388 452 H HN 0.568 nan 8.280 nan 0.000 0.526 453 Q N 1.063 120.624 119.800 -0.399 0.000 2.432 453 Q HA 0.074 4.414 4.340 -0.000 0.000 0.205 453 Q C 1.207 177.209 176.000 0.003 0.000 0.945 453 Q CA 0.639 56.320 55.803 -0.203 0.000 0.924 453 Q CB -0.141 28.602 28.738 0.010 0.000 1.016 453 Q HN 0.276 nan 8.270 nan 0.000 0.503 454 G N 1.006 109.826 108.800 0.033 0.000 2.516 454 G HA2 0.308 4.268 3.960 -0.000 0.000 0.276 454 G HA3 0.308 4.268 3.960 -0.000 0.000 0.276 454 G C -1.269 173.819 174.900 0.312 0.000 1.390 454 G CA -0.490 44.694 45.100 0.141 0.000 1.050 454 G HN 0.246 nan 8.290 nan 0.000 0.519 455 F N -0.289 119.738 119.950 0.128 0.000 2.659 455 F HA 0.380 4.907 4.527 -0.000 0.000 0.342 455 F C -0.698 175.200 175.800 0.163 0.000 1.168 455 F CA -1.429 56.679 58.000 0.180 0.000 1.003 455 F CB 1.385 40.514 39.000 0.216 0.000 1.267 455 F HN 0.481 nan 8.300 nan 0.000 0.463 456 H N 4.662 123.679 119.070 -0.090 0.000 3.008 456 H HA 0.326 4.882 4.556 -0.000 0.000 0.268 456 H C -0.745 174.344 175.328 -0.399 0.000 1.323 456 H CA 0.212 56.163 56.048 -0.162 0.000 1.401 456 H CB 0.127 29.891 29.762 0.003 0.000 1.556 456 H HN 0.496 nan 8.280 nan 0.000 0.502 457 N N 3.345 121.669 118.700 -0.627 0.000 2.664 457 N HA 0.224 4.964 4.740 -0.000 0.000 0.257 457 N C -0.477 174.872 175.510 -0.268 0.000 1.108 457 N CA -0.446 52.251 53.050 -0.588 0.000 0.822 457 N CB 0.855 38.763 38.487 -0.967 0.000 1.199 457 N HN 0.634 nan 8.380 nan 0.000 0.529 458 G N 1.748 110.428 108.800 -0.201 0.000 2.343 458 G HA2 0.154 4.114 3.960 -0.000 0.000 0.254 458 G HA3 0.154 4.114 3.960 -0.000 0.000 0.254 458 G C -0.320 174.678 174.900 0.164 0.000 1.277 458 G CA -0.204 44.863 45.100 -0.054 0.000 0.909 458 G HN 0.391 nan 8.290 nan 0.000 0.502 459 W N 1.444 122.683 121.300 -0.100 0.000 2.166 459 W HA 0.512 5.172 4.660 -0.000 0.000 0.364 459 W C 1.158 177.659 176.519 -0.030 0.000 1.344 459 W CA -1.148 56.153 57.345 -0.074 0.000 1.471 459 W CB 0.449 29.869 29.460 -0.068 0.000 1.220 459 W HN 0.798 nan 8.180 nan 0.000 0.666 460 K N -0.526 119.981 120.400 0.179 0.000 1.791 460 K HA -0.313 4.007 4.320 -0.000 0.000 0.140 460 K C 0.930 177.568 176.600 0.065 0.000 1.312 460 K CA 1.663 58.005 56.287 0.091 0.000 0.382 460 K CB -1.167 31.393 32.500 0.101 0.000 0.635 460 K HN 0.430 nan 8.250 nan 0.000 0.838 461 Q N 0.624 120.445 119.800 0.036 0.000 2.365 461 Q HA 0.108 4.448 4.340 -0.000 0.000 0.203 461 Q C 1.109 177.220 176.000 0.186 0.000 0.929 461 Q CA 0.574 56.399 55.803 0.037 0.000 0.948 461 Q CB 0.601 29.265 28.738 -0.125 0.000 1.043 461 Q HN 0.342 nan 8.270 nan 0.000 0.505 462 S N -0.239 115.592 115.700 0.218 0.000 2.528 462 S HA 0.241 4.711 4.470 -0.000 0.000 0.219 462 S C 0.733 175.405 174.600 0.119 0.000 0.985 462 S CA 0.485 58.808 58.200 0.205 0.000 0.914 462 S CB 0.587 63.884 63.200 0.163 0.000 0.776 462 S HN 0.553 nan 8.310 nan 0.000 0.526 463 G N 0.328 109.202 108.800 0.123 0.000 2.324 463 G HA2 0.435 4.395 3.960 -0.000 0.000 0.293 463 G HA3 0.435 4.395 3.960 -0.000 0.000 0.293 463 G C -2.254 172.757 174.900 0.185 0.000 1.297 463 G CA -0.861 44.318 45.100 0.130 0.000 0.853 463 G HN 0.106 nan 8.290 nan 0.000 0.535 464 F N -0.073 119.909 119.950 0.053 0.000 2.596 464 F HA 0.567 5.094 4.527 -0.000 0.000 0.311 464 F C 0.964 176.815 175.800 0.084 0.000 1.116 464 F CA 1.071 59.115 58.000 0.073 0.000 0.957 464 F CB 1.963 41.047 39.000 0.140 0.000 1.250 464 F HN 1.980 nan 8.300 nan 0.000 0.444 465 G N 2.664 111.257 108.800 -0.346 0.000 2.900 465 G HA2 0.189 4.149 3.960 -0.000 0.000 0.223 465 G HA3 0.189 4.149 3.960 -0.000 0.000 0.223 465 G C 0.864 175.813 174.900 0.082 0.000 1.293 465 G CA 0.389 45.453 45.100 -0.059 0.000 0.792 465 G HN 2.401 nan 8.290 nan 0.000 0.527 466 G N -0.324 108.481 108.800 0.009 0.000 2.721 466 G HA2 0.383 4.343 3.960 -0.000 0.000 0.686 466 G HA3 0.383 4.343 3.960 -0.000 0.000 0.686 466 G C -0.680 174.325 174.900 0.175 0.000 1.236 466 G CA 0.954 45.945 45.100 -0.181 0.000 0.786 466 G HN 1.497 nan 8.290 nan 0.000 0.616 467 E N 0.863 121.139 120.200 0.128 0.000 2.336 467 E HA 0.609 4.959 4.350 -0.000 0.000 0.267 467 E C -0.370 176.485 176.600 0.425 0.000 0.906 467 E CA -0.193 56.395 56.400 0.314 0.000 0.781 467 E CB 1.414 31.241 29.700 0.212 0.000 1.261 467 E HN 0.814 nan 8.360 nan 0.000 0.436 468 D N 0.265 120.911 120.400 0.410 0.000 10.757 468 D HA -0.048 4.592 4.640 -0.000 0.000 0.352 468 D C 0.285 176.827 176.300 0.405 0.000 3.129 468 D CA 1.551 55.770 54.000 0.364 0.000 2.630 468 D CB -1.013 39.969 40.800 0.303 0.000 1.214 468 D HN 0.980 nan 8.370 nan 0.000 0.943 469 G N 0.260 109.200 108.800 0.233 0.000 2.645 469 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.239 469 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.239 469 G C 0.806 175.865 174.900 0.266 0.000 1.331 469 G CA 1.054 46.292 45.100 0.230 0.000 0.890 469 G HN 0.856 nan 8.290 nan 0.000 0.572 470 K N -0.598 119.829 120.400 0.046 0.000 2.057 470 K HA 0.039 4.359 4.320 -0.000 0.000 0.207 470 K C 2.402 178.819 176.600 -0.304 0.000 1.049 470 K CA 2.306 58.475 56.287 -0.197 0.000 0.931 470 K CB -0.240 31.985 32.500 -0.458 0.000 0.714 470 K HN 0.459 nan 8.250 nan 0.000 0.440 471 F N 0.134 119.956 119.950 -0.212 0.000 2.293 471 F HA 0.065 4.591 4.527 -0.000 0.000 0.297 471 F C 2.445 178.181 175.800 -0.106 0.000 1.089 471 F CA 0.784 58.536 58.000 -0.413 0.000 1.377 471 F CB -0.452 37.821 39.000 -1.211 0.000 1.051 471 F HN 0.185 nan 8.300 nan 0.000 0.511 472 G N 0.327 109.309 108.800 0.303 0.000 2.404 472 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.215 472 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.215 472 G C 1.603 176.750 174.900 0.412 0.000 1.174 472 G CA 0.708 46.077 45.100 0.448 0.000 0.780 472 G HN 0.253 nan 8.290 nan 0.000 0.537 473 L N 0.716 122.159 121.223 0.367 0.000 2.043 473 L HA -0.065 4.275 4.340 -0.000 0.000 0.212 473 L C 2.628 179.690 176.870 0.320 0.000 1.075 473 L CA 2.444 57.502 54.840 0.364 0.000 0.752 473 L CB -0.453 41.730 42.059 0.207 0.000 0.891 473 L HN 0.287 nan 8.230 nan 0.000 0.432 474 E N -0.424 119.884 120.200 0.181 0.000 2.160 474 E HA -0.268 4.082 4.350 -0.000 0.000 0.195 474 E C 2.165 178.847 176.600 0.138 0.000 0.991 474 E CA 1.407 57.884 56.400 0.129 0.000 0.810 474 E CB -0.197 29.549 29.700 0.077 0.000 0.742 474 E HN 0.640 nan 8.360 nan 0.000 0.466 475 Q N -1.392 118.480 119.800 0.120 0.000 2.439 475 Q HA -0.139 4.201 4.340 -0.000 0.000 0.211 475 Q C 0.911 176.849 176.000 -0.104 0.000 0.978 475 Q CA 0.888 56.688 55.803 -0.005 0.000 0.897 475 Q CB -0.044 28.654 28.738 -0.067 0.000 0.956 475 Q HN 0.458 nan 8.270 nan 0.000 0.483 476 Y N -0.574 119.788 120.300 0.103 0.000 2.490 476 Y HA 0.149 4.699 4.550 -0.000 0.000 0.281 476 Y C 0.279 176.227 175.900 0.080 0.000 1.174 476 Y CA 0.153 58.309 58.100 0.092 0.000 1.295 476 Y CB 0.586 39.104 38.460 0.096 0.000 1.062 476 Y HN -0.021 nan 8.280 nan 0.000 0.522 477 L N 0.383 121.720 121.223 0.190 0.000 2.329 477 L HA 0.388 4.728 4.340 -0.000 0.000 0.279 477 L C -0.184 176.746 176.870 0.099 0.000 1.014 477 L CA -0.938 53.984 54.840 0.137 0.000 0.814 477 L CB 1.767 43.897 42.059 0.117 0.000 1.257 477 L HN -0.125 nan 8.230 nan 0.000 0.424 478 E N 2.489 122.743 120.200 0.089 0.000 2.280 478 E HA 0.438 4.788 4.350 -0.000 0.000 0.264 478 E C -1.209 175.436 176.600 0.076 0.000 1.064 478 E CA -0.469 55.976 56.400 0.075 0.000 0.900 478 E CB 1.161 30.902 29.700 0.069 0.000 1.123 478 E HN 0.200 nan 8.360 nan 0.000 0.418 479 K N 1.212 121.655 120.400 0.073 0.000 2.208 479 K HA 0.475 4.795 4.320 -0.000 0.000 0.247 479 K C -0.969 175.683 176.600 0.086 0.000 0.953 479 K CA -0.661 55.673 56.287 0.078 0.000 0.837 479 K CB 1.632 34.172 32.500 0.067 0.000 1.131 479 K HN 0.297 nan 8.250 nan 0.000 0.431 480 K N 1.138 121.605 120.400 0.111 0.000 2.507 480 K HA 0.383 4.703 4.320 -0.000 0.000 0.252 480 K C -1.126 175.567 176.600 0.155 0.000 0.943 480 K CA -0.387 55.974 56.287 0.122 0.000 0.808 480 K CB 1.360 33.923 32.500 0.105 0.000 1.142 480 K HN 0.602 nan 8.250 nan 0.000 0.426 481 T N 2.592 117.225 114.554 0.132 0.000 2.845 481 T HA 0.330 4.680 4.350 -0.000 0.000 0.288 481 T C -0.628 174.170 174.700 0.164 0.000 0.980 481 T CA -0.506 61.661 62.100 0.113 0.000 1.071 481 T CB 1.182 70.111 68.868 0.102 0.000 0.941 481 T HN 0.259 nan 8.240 nan 0.000 0.487 482 V N 3.912 123.909 119.914 0.139 0.000 2.443 482 V HA 0.346 4.466 4.120 -0.000 0.000 0.293 482 V C -1.286 174.894 176.094 0.143 0.000 1.021 482 V CA -1.053 61.372 62.300 0.208 0.000 0.848 482 V CB 0.891 32.867 31.823 0.254 0.000 0.998 482 V HN 0.806 nan 8.190 nan 0.000 0.424 483 Y N 4.841 125.229 120.300 0.147 0.000 2.353 483 Y HA 0.607 5.156 4.550 -0.000 0.000 0.340 483 Y C 0.269 176.247 175.900 0.130 0.000 0.972 483 Y CA -0.573 57.599 58.100 0.121 0.000 1.157 483 Y CB 1.352 39.853 38.460 0.069 0.000 1.157 483 Y HN 0.481 nan 8.280 nan 0.000 0.495 484 I N 3.980 124.714 120.570 0.274 0.000 2.354 484 I HA 0.174 4.344 4.170 -0.000 0.000 0.286 484 I C -0.179 176.035 176.117 0.161 0.000 1.007 484 I CA -0.509 60.919 61.300 0.213 0.000 1.167 484 I CB 1.052 39.198 38.000 0.243 0.000 1.320 484 I HN 0.638 nan 8.210 nan 0.000 0.458 485 N N 6.019 124.793 118.700 0.123 0.000 2.420 485 N HA 0.089 4.829 4.740 -0.000 0.000 0.262 485 N C 0.374 175.927 175.510 0.072 0.000 1.144 485 N CA -0.124 52.978 53.050 0.088 0.000 0.952 485 N CB 0.855 39.382 38.487 0.068 0.000 1.081 485 N HN 0.624 nan 8.380 nan 0.000 0.480 486 E N 1.934 122.174 120.200 0.065 0.000 2.474 486 E HA 0.110 4.460 4.350 -0.000 0.000 0.195 486 E C 0.026 176.649 176.600 0.038 0.000 1.039 486 E CA -0.327 56.105 56.400 0.054 0.000 0.881 486 E CB 0.639 30.374 29.700 0.057 0.000 0.970 486 E HN 0.561 nan 8.360 nan 0.000 0.486 487 A N 2.415 125.256 122.820 0.035 0.000 2.440 487 A HA 0.184 4.504 4.320 -0.000 0.000 0.251 487 A C 0.275 177.873 177.584 0.024 0.000 1.089 487 A CA -0.303 51.749 52.037 0.026 0.000 0.779 487 A CB 0.138 19.152 19.000 0.024 0.000 1.022 487 A HN 0.209 nan 8.150 nan 0.000 0.492 488 E N 0.000 120.211 120.200 0.019 0.000 2.725 488 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 488 E CA 0.000 56.410 56.400 0.016 0.000 0.976 488 E CB 0.000 29.709 29.700 0.015 0.000 0.812 488 E HN 0.000 nan 8.360 nan 0.000 0.440