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 2am1_1_A DATA FIRST_RESID 2 DATA SEQUENCE KLTIHEIAQV VGAKNDISIF EDTQLEKAEF DSRLIGTGDL FVPLKGARDG DATA SEQUENCE HDFIETAFEN GAAVTLSEKE VSNHPYILVD DVLTAFQSLA SYYLEKTTVD DATA SEQUENCE VFAVTGSNGK TTTKDXLAHL LSTRYKTYKT QGNYNNEIGL PYTVLHXPEG DATA SEQUENCE TEKLVLEXGQ DHLGDIHLLS ELARPKTAIV TLVGEAHLAF FKDRSEIAKG DATA SEQUENCE KXQIADGXAS GSLLLAPADP IVEDYLPIDK KVVRFGQGAE LEITDLVERK DATA SEQUENCE DSLTFKANFL EQALDLPVTG KYNATNAXIA SYVALQEGVS EEQIRLAFQH DATA SEQUENCE LELTRNRTEW KKAANGADIL SDVYNANPTA XKLILETFSA IPANEGGKKI DATA SEQUENCE AVLADXKELG DQSVQLHNQX ILSLSPDVLD IVIFYGEDIA QLAQLASQXF DATA SEQUENCE PIGHVYYFKK TEDQDQFEDL VKQVKESLGA HDQILLKGSN SXNLAKLVES DATA SEQUENCE LEN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.736 176.600 0.226 0.000 0.988 2 K CA 0.000 56.403 56.287 0.193 0.000 0.838 2 K CB 0.000 32.620 32.500 0.200 0.000 1.064 3 L N 0.631 121.929 121.223 0.124 0.000 2.568 3 L HA 0.582 4.921 4.340 -0.001 0.000 0.257 3 L C -0.595 176.320 176.870 0.075 0.000 1.024 3 L CA -0.881 54.033 54.840 0.124 0.000 0.854 3 L CB 2.485 44.605 42.059 0.102 0.000 1.460 3 L HN 0.421 nan 8.230 nan 0.000 0.409 4 T N -2.243 112.358 114.554 0.077 0.000 2.893 4 T HA 0.387 4.736 4.350 -0.001 0.000 0.291 4 T C 0.793 175.538 174.700 0.074 0.000 1.028 4 T CA -0.579 61.563 62.100 0.071 0.000 0.995 4 T CB 1.599 70.513 68.868 0.076 0.000 1.051 4 T HN 0.613 nan 8.240 nan 0.000 0.470 5 I N 0.316 120.933 120.570 0.078 0.000 2.315 5 I HA -0.190 3.979 4.170 -0.001 0.000 0.251 5 I C 2.042 178.223 176.117 0.107 0.000 1.125 5 I CA 1.788 63.131 61.300 0.071 0.000 1.392 5 I CB -0.677 37.359 38.000 0.060 0.000 1.065 5 I HN 0.969 nan 8.210 nan 0.000 0.424 6 H N -0.139 118.942 119.070 0.018 0.000 2.436 6 H HA -0.085 4.470 4.556 -0.001 0.000 0.294 6 H C 2.213 177.531 175.328 -0.017 0.000 1.048 6 H CA 1.015 57.068 56.048 0.009 0.000 1.353 6 H CB 0.190 29.966 29.762 0.023 0.000 1.414 6 H HN 0.598 nan 8.280 nan 0.000 0.536 7 E N 0.831 121.086 120.200 0.092 0.000 2.017 7 E HA -0.179 4.171 4.350 -0.001 0.000 0.193 7 E C 2.188 178.744 176.600 -0.074 0.000 0.997 7 E CA 1.570 57.956 56.400 -0.024 0.000 0.804 7 E CB -0.011 29.699 29.700 0.015 0.000 0.757 7 E HN 0.529 nan 8.360 nan 0.000 0.448 8 I N 1.068 121.619 120.570 -0.031 0.000 2.151 8 I HA -0.324 3.845 4.170 -0.001 0.000 0.243 8 I C 2.653 178.746 176.117 -0.040 0.000 1.080 8 I CA 1.169 62.437 61.300 -0.053 0.000 1.339 8 I CB -0.526 37.473 38.000 -0.002 0.000 1.039 8 I HN 0.225 nan 8.210 nan 0.000 0.409 9 A N 0.413 123.242 122.820 0.014 0.000 1.908 9 A HA -0.312 4.007 4.320 -0.001 0.000 0.218 9 A C 2.242 179.841 177.584 0.025 0.000 1.181 9 A CA 2.228 54.277 52.037 0.020 0.000 0.627 9 A CB -0.685 18.331 19.000 0.026 0.000 0.818 9 A HN 0.478 nan 8.150 nan 0.000 0.445 10 Q N 0.191 120.022 119.800 0.052 0.000 2.050 10 Q HA -0.108 4.232 4.340 -0.001 0.000 0.202 10 Q C 1.811 177.770 176.000 -0.069 0.000 0.980 10 Q CA 2.518 58.328 55.803 0.012 0.000 0.840 10 Q CB -0.944 27.783 28.738 -0.019 0.000 0.898 10 Q HN 0.298 nan 8.270 nan 0.000 0.424 11 V N -0.067 119.742 119.914 -0.174 0.000 2.407 11 V HA -0.182 3.938 4.120 -0.001 0.000 0.248 11 V C 2.122 178.152 176.094 -0.106 0.000 1.055 11 V CA 1.653 63.806 62.300 -0.246 0.000 1.049 11 V CB -0.294 31.205 31.823 -0.540 0.000 0.662 11 V HN 0.314 nan 8.190 nan 0.000 0.455 12 V N -0.170 119.707 119.914 -0.062 0.000 3.608 12 V HA 0.357 4.477 4.120 -0.001 0.000 0.269 12 V C 1.583 177.681 176.094 0.006 0.000 1.245 12 V CA 0.913 63.206 62.300 -0.011 0.000 1.138 12 V CB -0.448 31.381 31.823 0.009 0.000 0.841 12 V HN 0.715 nan 8.190 nan 0.000 0.451 13 G N 1.122 109.924 108.800 0.002 0.000 2.248 13 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.263 13 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.263 13 G C 0.260 175.172 174.900 0.020 0.000 1.082 13 G CA 0.099 45.207 45.100 0.014 0.000 0.863 13 G HN 1.098 nan 8.290 nan 0.000 0.495 14 A N -0.570 122.258 122.820 0.013 0.000 2.608 14 A HA 0.337 4.656 4.320 -0.001 0.000 0.239 14 A C 1.421 179.014 177.584 0.015 0.000 1.018 14 A CA 1.579 53.620 52.037 0.006 0.000 0.766 14 A CB 0.178 19.163 19.000 -0.024 0.000 0.928 14 A HN 0.675 nan 8.150 nan 0.000 0.512 15 K N 1.538 121.957 120.400 0.031 0.000 2.314 15 K HA -0.064 4.256 4.320 -0.001 0.000 0.198 15 K C 1.201 177.826 176.600 0.042 0.000 1.045 15 K CA 0.856 57.169 56.287 0.043 0.000 0.988 15 K CB -0.036 32.502 32.500 0.062 0.000 0.783 15 K HN 0.922 nan 8.250 nan 0.000 0.484 16 N N 1.411 120.125 118.700 0.024 0.000 2.370 16 N HA -0.078 4.661 4.740 -0.001 0.000 0.265 16 N C 0.808 176.306 175.510 -0.020 0.000 1.338 16 N CA 0.995 54.051 53.050 0.009 0.000 0.913 16 N CB -0.279 38.149 38.487 -0.099 0.000 1.094 16 N HN 0.017 nan 8.380 nan 0.000 0.438 17 D N -1.984 118.385 120.400 -0.051 0.000 3.081 17 D HA 0.117 4.757 4.640 -0.001 0.000 0.243 17 D C 1.068 177.304 176.300 -0.107 0.000 1.388 17 D CA 0.072 54.040 54.000 -0.054 0.000 1.245 17 D CB 0.673 41.452 40.800 -0.035 0.000 1.319 17 D HN 0.333 nan 8.370 nan 0.000 0.377 18 I N 0.273 120.813 120.570 -0.049 0.000 2.878 18 I HA -0.313 3.857 4.170 -0.001 0.000 0.253 18 I C 1.979 178.058 176.117 -0.063 0.000 0.434 18 I CA 1.234 62.522 61.300 -0.020 0.000 0.813 18 I CB -2.018 35.842 38.000 -0.233 0.000 4.068 18 I HN 0.309 nan 8.210 nan 0.000 1.112 19 S N 1.634 117.233 115.700 -0.169 0.000 2.407 19 S HA -0.123 4.346 4.470 -0.001 0.000 0.235 19 S C 1.788 176.322 174.600 -0.110 0.000 1.036 19 S CA 1.902 60.023 58.200 -0.132 0.000 1.013 19 S CB -0.725 62.422 63.200 -0.088 0.000 0.820 19 S HN 0.650 nan 8.310 nan 0.000 0.476 20 I N 0.012 120.481 120.570 -0.168 0.000 2.614 20 I HA 0.015 4.185 4.170 -0.001 0.000 0.258 20 I C 0.244 176.029 176.117 -0.553 0.000 1.189 20 I CA 0.648 61.722 61.300 -0.377 0.000 1.462 20 I CB -0.241 37.434 38.000 -0.543 0.000 1.092 20 I HN 0.200 nan 8.210 nan 0.000 0.442 21 F N 0.039 119.955 119.950 -0.058 0.000 2.470 21 F HA 0.195 4.721 4.527 -0.001 0.000 0.329 21 F C 1.626 177.421 175.800 -0.009 0.000 1.072 21 F CA -0.698 57.288 58.000 -0.024 0.000 0.989 21 F CB 0.638 39.627 39.000 -0.019 0.000 1.193 21 F HN -0.168 nan 8.300 nan 0.000 0.481 22 E N 0.945 121.267 120.200 0.202 0.000 2.164 22 E HA -0.405 3.945 4.350 -0.001 0.000 0.206 22 E C 0.140 176.813 176.600 0.122 0.000 1.032 22 E CA 1.971 58.449 56.400 0.131 0.000 0.832 22 E CB -0.034 29.745 29.700 0.132 0.000 0.742 22 E HN 0.732 nan 8.360 nan 0.000 0.460 23 D N 0.206 120.692 120.400 0.143 0.000 2.897 23 D HA -0.134 4.505 4.640 -0.001 0.000 0.250 23 D C -1.101 175.264 176.300 0.109 0.000 1.086 23 D CA 1.141 55.221 54.000 0.134 0.000 0.799 23 D CB -1.426 39.465 40.800 0.152 0.000 1.043 23 D HN 0.245 nan 8.370 nan 0.000 0.427 24 T N 0.739 115.353 114.554 0.101 0.000 2.907 24 T HA 0.336 4.685 4.350 -0.001 0.000 0.284 24 T C 0.019 174.760 174.700 0.069 0.000 1.004 24 T CA -0.355 61.794 62.100 0.081 0.000 1.063 24 T CB 1.585 70.503 68.868 0.083 0.000 0.992 24 T HN 0.289 nan 8.240 nan 0.000 0.483 25 Q N 3.550 123.384 119.800 0.056 0.000 2.311 25 Q HA 0.255 4.595 4.340 -0.001 0.000 0.272 25 Q C -0.523 175.498 176.000 0.035 0.000 1.012 25 Q CA -0.123 55.707 55.803 0.046 0.000 0.891 25 Q CB 0.393 29.154 28.738 0.039 0.000 1.201 25 Q HN 0.624 nan 8.270 nan 0.000 0.391 26 L N 2.714 123.952 121.223 0.025 0.000 2.439 26 L HA 0.167 4.506 4.340 -0.001 0.000 0.259 26 L C 1.002 177.860 176.870 -0.019 0.000 1.129 26 L CA -0.469 54.374 54.840 0.005 0.000 0.803 26 L CB 0.660 42.716 42.059 -0.004 0.000 1.161 26 L HN 0.711 nan 8.230 nan 0.000 0.462 27 E N 0.721 120.900 120.200 -0.035 0.000 2.052 27 E HA 0.082 4.431 4.350 -0.001 0.000 0.192 27 E C -0.510 176.020 176.600 -0.117 0.000 0.958 27 E CA 0.913 57.279 56.400 -0.058 0.000 0.835 27 E CB 0.483 30.158 29.700 -0.041 0.000 0.811 27 E HN 0.554 nan 8.360 nan 0.000 0.462 28 K N -1.866 118.453 120.400 -0.134 0.000 2.578 28 K HA 0.764 5.083 4.320 -0.001 0.000 0.287 28 K C -1.500 175.002 176.600 -0.164 0.000 1.010 28 K CA -0.868 55.272 56.287 -0.246 0.000 0.889 28 K CB 1.451 33.735 32.500 -0.360 0.000 1.514 28 K HN 0.037 nan 8.250 nan 0.000 0.424 29 A N 1.350 124.055 122.820 -0.192 0.000 2.305 29 A HA 0.594 4.914 4.320 -0.001 0.000 0.322 29 A C -0.969 176.733 177.584 0.197 0.000 1.187 29 A CA -0.476 51.580 52.037 0.031 0.000 0.825 29 A CB 0.664 19.760 19.000 0.160 0.000 1.164 29 A HN 0.613 nan 8.150 nan 0.000 0.498 30 E N 1.634 121.917 120.200 0.138 0.000 2.321 30 E HA 0.309 4.658 4.350 -0.001 0.000 0.278 30 E C -0.839 175.700 176.600 -0.102 0.000 0.902 30 E CA -0.303 56.162 56.400 0.108 0.000 0.758 30 E CB 1.475 31.231 29.700 0.093 0.000 1.213 30 E HN 0.658 nan 8.360 nan 0.000 0.426 31 F N -1.052 118.853 119.950 -0.075 0.000 2.695 31 F HA 0.350 4.877 4.527 -0.001 0.000 0.303 31 F C 0.514 176.215 175.800 -0.164 0.000 1.091 31 F CA -0.530 57.256 58.000 -0.356 0.000 1.300 31 F CB 0.633 39.385 39.000 -0.413 0.000 1.071 31 F HN 0.133 nan 8.300 nan 0.000 0.578 32 D N 1.435 121.655 120.400 -0.300 0.000 2.485 32 D HA 0.124 4.764 4.640 -0.001 0.000 0.229 32 D C 1.375 177.695 176.300 0.033 0.000 1.101 32 D CA 0.158 54.080 54.000 -0.131 0.000 0.906 32 D CB 1.210 41.839 40.800 -0.284 0.000 1.019 32 D HN 0.186 nan 8.370 nan 0.000 0.516 33 S N 4.059 119.869 115.700 0.183 0.000 2.399 33 S HA -0.359 4.111 4.470 -0.001 0.000 0.235 33 S C 1.840 176.443 174.600 0.005 0.000 1.063 33 S CA 1.204 59.450 58.200 0.077 0.000 1.070 33 S CB -0.390 62.822 63.200 0.021 0.000 0.904 33 S HN 0.611 nan 8.310 nan 0.000 0.456 34 R N 0.073 120.572 120.500 -0.001 0.000 2.377 34 R HA 0.066 4.405 4.340 -0.001 0.000 0.207 34 R C 1.146 177.441 176.300 -0.008 0.000 1.075 34 R CA 0.784 56.883 56.100 -0.001 0.000 1.035 34 R CB -0.182 30.116 30.300 -0.005 0.000 0.857 34 R HN 0.439 nan 8.270 nan 0.000 0.475 35 L N 0.179 121.395 121.223 -0.012 0.000 2.701 35 L HA 0.250 4.590 4.340 -0.001 0.000 0.238 35 L C 0.155 177.035 176.870 0.017 0.000 1.106 35 L CA 0.024 54.862 54.840 -0.004 0.000 0.898 35 L CB 0.259 42.298 42.059 -0.032 0.000 1.188 35 L HN 0.017 nan 8.230 nan 0.000 0.508 36 I N 0.233 120.812 120.570 0.015 0.000 2.872 36 I HA 0.183 4.352 4.170 -0.001 0.000 0.291 36 I C 1.005 177.117 176.117 -0.008 0.000 1.216 36 I CA 0.633 61.937 61.300 0.006 0.000 1.424 36 I CB -0.072 37.904 38.000 -0.040 0.000 1.351 36 I HN 0.196 nan 8.210 nan 0.000 0.592 37 G N 3.440 112.235 108.800 -0.008 0.000 2.816 37 G HA2 0.519 4.479 3.960 -0.001 0.000 0.288 37 G HA3 0.519 4.479 3.960 -0.001 0.000 0.288 37 G C -0.553 174.342 174.900 -0.008 0.000 1.334 37 G CA -0.468 44.629 45.100 -0.005 0.000 0.978 37 G HN 0.628 nan 8.290 nan 0.000 0.493 38 T N -2.071 112.485 114.554 0.004 0.000 2.817 38 T HA 0.419 4.769 4.350 -0.001 0.000 0.295 38 T C 1.412 176.120 174.700 0.013 0.000 0.958 38 T CA 1.026 63.135 62.100 0.015 0.000 1.157 38 T CB 0.653 69.535 68.868 0.023 0.000 0.898 38 T HN 2.381 nan 8.240 nan 0.000 0.536 39 G N 2.788 111.602 108.800 0.022 0.000 2.176 39 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.253 39 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.253 39 G C -0.174 174.727 174.900 0.001 0.000 0.979 39 G CA -0.032 45.082 45.100 0.024 0.000 0.641 39 G HN 0.831 nan 8.290 nan 0.000 0.530 40 D N -0.402 119.987 120.400 -0.018 0.000 2.360 40 D HA 0.506 5.146 4.640 -0.001 0.000 0.242 40 D C 0.570 176.853 176.300 -0.029 0.000 1.184 40 D CA -0.177 53.806 54.000 -0.028 0.000 0.930 40 D CB 1.149 41.937 40.800 -0.020 0.000 1.161 40 D HN 0.406 nan 8.370 nan 0.000 0.447 41 L N 1.533 122.747 121.223 -0.015 0.000 2.282 41 L HA 0.431 4.770 4.340 -0.001 0.000 0.288 41 L C -1.246 175.642 176.870 0.029 0.000 1.033 41 L CA -0.596 54.243 54.840 -0.001 0.000 0.807 41 L CB 0.699 42.761 42.059 0.005 0.000 1.209 41 L HN 0.125 nan 8.230 nan 0.000 0.423 42 F N 5.537 125.385 119.950 -0.169 0.000 2.404 42 F HA 0.549 5.075 4.527 -0.001 0.000 0.345 42 F C -0.481 175.241 175.800 -0.131 0.000 1.110 42 F CA -0.466 57.428 58.000 -0.176 0.000 1.130 42 F CB 1.613 40.444 39.000 -0.282 0.000 1.129 42 F HN 0.296 nan 8.300 nan 0.000 0.500 43 V N 9.203 128.556 119.914 -0.935 0.000 2.327 43 V HA 0.458 4.577 4.120 -0.001 0.000 0.272 43 V C -2.427 173.062 176.094 -1.009 0.000 1.019 43 V CA -2.268 59.565 62.300 -0.779 0.000 0.814 43 V CB 1.081 32.498 31.823 -0.677 0.000 1.040 43 V HN 0.654 nan 8.190 nan 0.000 0.440 44 P HA 0.240 nan 4.420 nan 0.000 0.274 44 P C -0.688 176.327 177.300 -0.476 0.000 1.291 44 P CA 0.211 62.902 63.100 -0.681 0.000 0.815 44 P CB 0.726 32.038 31.700 -0.647 0.000 0.897 45 L N 3.466 124.487 121.223 -0.338 0.000 2.313 45 L HA 0.467 4.806 4.340 -0.001 0.000 0.268 45 L C 0.939 177.729 176.870 -0.133 0.000 1.010 45 L CA -1.268 53.425 54.840 -0.246 0.000 0.814 45 L CB 1.626 43.487 42.059 -0.331 0.000 1.304 45 L HN 0.126 nan 8.230 nan 0.000 0.441 46 K N 1.146 121.494 120.400 -0.088 0.000 2.278 46 K HA 0.316 4.635 4.320 -0.001 0.000 0.289 46 K C 0.100 176.660 176.600 -0.067 0.000 1.080 46 K CA -0.140 56.127 56.287 -0.033 0.000 0.934 46 K CB 0.763 33.256 32.500 -0.012 0.000 1.093 46 K HN 0.798 nan 8.250 nan 0.000 0.459 47 G N 0.996 109.766 108.800 -0.049 0.000 3.286 47 G HA2 0.344 4.304 3.960 -0.001 0.000 0.166 47 G HA3 0.344 4.304 3.960 -0.001 0.000 0.166 47 G C 0.777 175.666 174.900 -0.018 0.000 1.155 47 G CA 0.064 45.124 45.100 -0.067 0.000 0.871 47 G HN 0.453 nan 8.290 nan 0.000 0.637 48 A N -0.760 122.051 122.820 -0.016 0.000 1.940 48 A HA 0.181 4.501 4.320 -0.001 0.000 0.219 48 A C 1.536 179.152 177.584 0.053 0.000 1.176 48 A CA 1.199 53.246 52.037 0.016 0.000 0.631 48 A CB -0.195 18.810 19.000 0.008 0.000 0.814 48 A HN 0.426 nan 8.150 nan 0.000 0.446 49 R N -1.016 119.529 120.500 0.074 0.000 2.867 49 R HA 0.297 4.636 4.340 -0.001 0.000 0.268 49 R C -1.305 175.085 176.300 0.151 0.000 1.014 49 R CA -0.861 55.327 56.100 0.146 0.000 0.946 49 R CB 1.070 31.532 30.300 0.270 0.000 1.208 49 R HN 0.345 nan 8.270 nan 0.000 0.477 50 D N 0.377 120.887 120.400 0.182 0.000 2.424 50 D HA 0.002 4.641 4.640 -0.001 0.000 0.244 50 D C 0.840 177.303 176.300 0.272 0.000 1.134 50 D CA 0.343 54.456 54.000 0.188 0.000 0.881 50 D CB 1.579 42.503 40.800 0.208 0.000 1.191 50 D HN 0.716 nan 8.370 nan 0.000 0.445 51 G N 3.195 112.089 108.800 0.156 0.000 2.443 51 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.219 51 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.219 51 G C 1.368 176.478 174.900 0.350 0.000 1.131 51 G CA 0.434 45.653 45.100 0.198 0.000 0.775 51 G HN 0.678 nan 8.290 nan 0.000 0.547 52 H N 0.996 120.226 119.070 0.267 0.000 2.422 52 H HA -0.084 4.471 4.556 -0.001 0.000 0.298 52 H C 2.102 177.553 175.328 0.204 0.000 1.098 52 H CA 1.474 57.662 56.048 0.233 0.000 1.315 52 H CB 0.050 29.890 29.762 0.130 0.000 1.382 52 H HN 0.294 nan 8.280 nan 0.000 0.523 53 D N 0.671 121.252 120.400 0.303 0.000 2.104 53 D HA -0.142 4.497 4.640 -0.001 0.000 0.194 53 D C 1.679 177.925 176.300 -0.091 0.000 0.994 53 D CA 0.973 55.002 54.000 0.048 0.000 0.830 53 D CB -0.554 40.185 40.800 -0.101 0.000 0.959 53 D HN 0.322 nan 8.370 nan 0.000 0.452 54 F N 0.748 120.747 119.950 0.083 0.000 2.802 54 F HA 0.139 4.665 4.527 -0.001 0.000 0.300 54 F C 2.134 177.786 175.800 -0.247 0.000 1.168 54 F CA -0.251 57.730 58.000 -0.031 0.000 1.433 54 F CB -0.624 38.389 39.000 0.022 0.000 1.115 54 F HN -0.068 nan 8.300 nan 0.000 0.582 55 I N -0.025 120.555 120.570 0.017 0.000 2.118 55 I HA -0.316 3.853 4.170 -0.001 0.000 0.241 55 I C 2.456 178.479 176.117 -0.156 0.000 1.070 55 I CA 1.381 62.600 61.300 -0.134 0.000 1.327 55 I CB -0.250 37.846 38.000 0.160 0.000 1.034 55 I HN 0.071 nan 8.210 nan 0.000 0.405 56 E N 0.363 120.546 120.200 -0.027 0.000 2.085 56 E HA -0.197 4.152 4.350 -0.001 0.000 0.194 56 E C 2.180 178.757 176.600 -0.039 0.000 0.994 56 E CA 1.805 58.214 56.400 0.014 0.000 0.801 56 E CB -0.644 29.066 29.700 0.017 0.000 0.743 56 E HN 0.462 nan 8.360 nan 0.000 0.453 57 T N 1.126 115.623 114.554 -0.095 0.000 2.929 57 T HA -0.055 4.294 4.350 -0.001 0.000 0.271 57 T C 1.765 176.364 174.700 -0.167 0.000 1.085 57 T CA 0.993 63.046 62.100 -0.080 0.000 1.125 57 T CB -0.076 68.782 68.868 -0.016 0.000 0.874 57 T HN 0.262 nan 8.240 nan 0.000 0.494 58 A N 1.135 123.726 122.820 -0.381 0.000 1.840 58 A HA 0.079 4.399 4.320 -0.001 0.000 0.214 58 A C 1.877 179.223 177.584 -0.397 0.000 1.198 58 A CA 1.054 52.729 52.037 -0.603 0.000 0.608 58 A CB -1.039 17.172 19.000 -1.314 0.000 0.839 58 A HN 0.463 nan 8.150 nan 0.000 0.443 59 F N 0.572 120.351 119.950 -0.285 0.000 2.161 59 F HA -0.180 4.346 4.527 -0.001 0.000 0.300 59 F C 2.406 178.157 175.800 -0.082 0.000 1.089 59 F CA 1.718 59.603 58.000 -0.192 0.000 1.282 59 F CB -0.326 38.458 39.000 -0.359 0.000 1.010 59 F HN 0.322 nan 8.300 nan 0.000 0.485 60 E N -0.167 120.087 120.200 0.090 0.000 2.209 60 E HA -0.194 4.155 4.350 -0.001 0.000 0.196 60 E C 1.445 178.063 176.600 0.030 0.000 0.993 60 E CA 0.971 57.410 56.400 0.065 0.000 0.819 60 E CB -0.223 29.498 29.700 0.035 0.000 0.745 60 E HN 0.431 nan 8.360 nan 0.000 0.477 61 N N -1.086 117.605 118.700 -0.016 0.000 2.353 61 N HA 0.016 4.755 4.740 -0.001 0.000 0.185 61 N C 1.036 176.538 175.510 -0.015 0.000 1.098 61 N CA 0.926 53.963 53.050 -0.022 0.000 0.872 61 N CB 1.628 40.086 38.487 -0.049 0.000 0.970 61 N HN 0.296 nan 8.380 nan 0.000 0.467 62 G N -0.107 108.690 108.800 -0.005 0.000 2.551 62 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.186 62 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.186 62 G C 0.217 175.113 174.900 -0.006 0.000 1.002 62 G CA -0.107 45.002 45.100 0.014 0.000 0.723 62 G HN 0.464 nan 8.290 nan 0.000 0.481 63 A N 0.602 123.335 122.820 -0.145 0.000 2.608 63 A HA 0.507 4.827 4.320 -0.001 0.000 0.239 63 A C 1.603 179.162 177.584 -0.042 0.000 1.018 63 A CA 1.655 53.511 52.037 -0.302 0.000 0.766 63 A CB 0.361 18.794 19.000 -0.944 0.000 0.928 63 A HN 1.854 nan 8.150 nan 0.000 0.512 64 A N 2.103 124.940 122.820 0.030 0.000 2.252 64 A HA 0.521 4.840 4.320 -0.001 0.000 0.213 64 A C 0.711 178.457 177.584 0.270 0.000 1.188 64 A CA 0.924 53.074 52.037 0.188 0.000 0.863 64 A CB 0.023 19.088 19.000 0.108 0.000 0.893 64 A HN 2.032 nan 8.150 nan 0.000 0.495 65 V N -2.200 117.809 119.914 0.159 0.000 3.300 65 V HA 0.637 4.756 4.120 -0.001 0.000 0.289 65 V C -1.667 174.461 176.094 0.057 0.000 1.533 65 V CA 0.316 62.729 62.300 0.189 0.000 1.059 65 V CB 1.775 33.640 31.823 0.071 0.000 1.161 65 V HN 0.303 nan 8.190 nan 0.000 0.462 66 T N 2.665 117.314 114.554 0.159 0.000 2.982 66 T HA 0.579 4.928 4.350 -0.001 0.000 0.321 66 T C -1.128 173.663 174.700 0.153 0.000 1.229 66 T CA -0.340 61.846 62.100 0.144 0.000 1.044 66 T CB 1.194 70.199 68.868 0.229 0.000 1.184 66 T HN 0.749 nan 8.240 nan 0.000 0.477 67 L N 2.940 124.209 121.223 0.078 0.000 2.466 67 L HA 0.738 5.077 4.340 -0.001 0.000 0.257 67 L C 0.351 177.307 176.870 0.144 0.000 1.189 67 L CA -0.138 54.748 54.840 0.077 0.000 0.813 67 L CB 1.461 43.520 42.059 -0.001 0.000 1.118 67 L HN 0.736 nan 8.230 nan 0.000 0.471 68 S N -0.316 115.513 115.700 0.215 0.000 2.608 68 S HA 0.167 4.637 4.470 -0.001 0.000 0.285 68 S C -0.412 174.382 174.600 0.324 0.000 1.108 68 S CA -0.704 57.719 58.200 0.372 0.000 0.858 68 S CB 1.235 64.649 63.200 0.356 0.000 1.077 68 S HN 0.714 nan 8.310 nan 0.000 0.450 69 E N 1.673 122.075 120.200 0.336 0.000 2.474 69 E HA 0.174 4.524 4.350 -0.001 0.000 0.195 69 E C 0.042 176.646 176.600 0.007 0.000 1.039 69 E CA 0.061 56.523 56.400 0.104 0.000 0.881 69 E CB 0.221 29.942 29.700 0.036 0.000 0.970 69 E HN 0.606 nan 8.360 nan 0.000 0.486 70 K N 0.388 120.789 120.400 0.002 0.000 2.556 70 K HA 0.293 4.613 4.320 -0.001 0.000 0.274 70 K C -0.724 175.814 176.600 -0.103 0.000 0.966 70 K CA -0.919 55.341 56.287 -0.045 0.000 0.865 70 K CB 1.544 33.971 32.500 -0.121 0.000 1.444 70 K HN -0.304 nan 8.250 nan 0.000 0.433 71 E N 1.422 121.530 120.200 -0.153 0.000 2.529 71 E HA -0.043 4.307 4.350 -0.001 0.000 0.259 71 E C 0.469 176.757 176.600 -0.520 0.000 0.966 71 E CA 0.179 56.325 56.400 -0.424 0.000 0.937 71 E CB 1.025 30.624 29.700 -0.168 0.000 0.923 71 E HN 0.471 nan 8.360 nan 0.000 0.468 72 V N 1.495 120.836 119.914 -0.954 0.000 3.085 72 V HA -0.088 4.031 4.120 -0.001 0.000 0.245 72 V C 0.330 176.314 176.094 -0.183 0.000 1.114 72 V CA 0.853 62.911 62.300 -0.404 0.000 1.108 72 V CB -0.312 31.369 31.823 -0.236 0.000 0.798 72 V HN 0.960 nan 8.190 nan 0.000 0.471 73 S N 1.706 117.307 115.700 -0.165 0.000 3.278 73 S HA -0.247 4.222 4.470 -0.001 0.000 0.857 73 S C 0.191 174.800 174.600 0.015 0.000 1.108 73 S CA 0.165 58.371 58.200 0.011 0.000 1.109 73 S CB -1.440 61.743 63.200 -0.027 0.000 0.774 73 S HN 0.766 nan 8.310 nan 0.000 0.261 74 N N 1.048 119.763 118.700 0.025 0.000 2.681 74 N HA -0.199 4.540 4.740 -0.001 0.000 0.250 74 N C -0.268 175.038 175.510 -0.340 0.000 1.133 74 N CA 2.017 54.989 53.050 -0.130 0.000 0.732 74 N CB -1.488 36.865 38.487 -0.224 0.000 1.107 74 N HN 0.956 nan 8.380 nan 0.000 0.559 75 H N -1.797 117.296 119.070 0.039 0.000 3.085 75 H HA 0.308 4.863 4.556 -0.001 0.000 0.356 75 H C -2.605 172.679 175.328 -0.074 0.000 1.178 75 H CA -1.358 54.557 56.048 -0.220 0.000 1.214 75 H CB 2.118 31.465 29.762 -0.692 0.000 1.881 75 H HN -0.215 nan 8.280 nan 0.000 0.538 76 P HA 0.067 nan 4.420 nan 0.000 0.266 76 P C -1.055 176.037 177.300 -0.346 0.000 1.215 76 P CA 0.278 62.889 63.100 -0.815 0.000 0.763 76 P CB -0.235 31.363 31.700 -0.169 0.000 0.806 77 Y N 2.046 121.907 120.300 -0.732 0.000 2.504 77 Y HA 0.670 5.219 4.550 -0.001 0.000 0.344 77 Y C -1.370 174.435 175.900 -0.157 0.000 1.023 77 Y CA -1.685 56.289 58.100 -0.211 0.000 1.020 77 Y CB 1.065 39.505 38.460 -0.033 0.000 1.282 77 Y HN 0.109 nan 8.280 nan 0.000 0.454 78 I N 5.270 125.794 120.570 -0.077 0.000 2.330 78 I HA 0.262 4.431 4.170 -0.001 0.000 0.289 78 I C -0.960 175.204 176.117 0.079 0.000 1.001 78 I CA -0.855 60.389 61.300 -0.094 0.000 1.193 78 I CB 1.501 39.483 38.000 -0.030 0.000 1.345 78 I HN 0.587 nan 8.210 nan 0.000 0.461 79 L N 9.845 131.110 121.223 0.069 0.000 2.260 79 L HA 0.552 4.892 4.340 -0.001 0.000 0.289 79 L C -0.187 176.753 176.870 0.116 0.000 1.057 79 L CA -0.004 54.953 54.840 0.194 0.000 0.811 79 L CB 0.993 43.216 42.059 0.274 0.000 1.184 79 L HN 0.454 nan 8.230 nan 0.000 0.429 80 V N 1.456 121.443 119.914 0.121 0.000 3.141 80 V HA 0.590 4.710 4.120 -0.001 0.000 0.312 80 V C 0.429 176.573 176.094 0.084 0.000 1.157 80 V CA -0.654 61.698 62.300 0.088 0.000 1.041 80 V CB 1.805 33.675 31.823 0.078 0.000 1.071 80 V HN 0.660 nan 8.190 nan 0.000 0.441 81 D N 0.621 121.060 120.400 0.065 0.000 2.178 81 D HA 0.028 4.667 4.640 -0.001 0.000 0.202 81 D C 0.047 176.383 176.300 0.060 0.000 0.974 81 D CA 2.349 56.382 54.000 0.056 0.000 0.841 81 D CB 0.432 41.258 40.800 0.043 0.000 0.953 81 D HN 0.898 nan 8.370 nan 0.000 0.478 82 D N -1.300 119.139 120.400 0.067 0.000 2.966 82 D HA 0.096 4.736 4.640 -0.001 0.000 0.222 82 D C 0.776 177.117 176.300 0.070 0.000 1.292 82 D CA -0.454 53.586 54.000 0.067 0.000 0.907 82 D CB 1.883 42.713 40.800 0.050 0.000 1.621 82 D HN -0.352 nan 8.370 nan 0.000 0.557 83 V N 3.286 123.239 119.914 0.066 0.000 2.427 83 V HA -0.127 3.992 4.120 -0.001 0.000 0.248 83 V C 2.207 178.322 176.094 0.036 0.000 1.051 83 V CA 1.198 63.514 62.300 0.027 0.000 1.048 83 V CB -0.556 31.230 31.823 -0.063 0.000 0.666 83 V HN 0.622 nan 8.190 nan 0.000 0.456 84 L N 0.206 121.445 121.223 0.026 0.000 2.046 84 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 84 L C 2.452 179.401 176.870 0.131 0.000 1.077 84 L CA 2.412 57.297 54.840 0.075 0.000 0.747 84 L CB -1.042 41.030 42.059 0.023 0.000 0.896 84 L HN 0.337 nan 8.230 nan 0.000 0.432 85 T N -0.100 114.505 114.554 0.085 0.000 2.746 85 T HA -0.157 4.192 4.350 -0.001 0.000 0.267 85 T C 1.911 176.666 174.700 0.093 0.000 1.039 85 T CA 1.355 63.501 62.100 0.077 0.000 1.142 85 T CB -0.547 68.355 68.868 0.056 0.000 0.866 85 T HN 0.522 nan 8.240 nan 0.000 0.444 86 A N 1.020 123.901 122.820 0.103 0.000 1.933 86 A HA -0.040 4.279 4.320 -0.001 0.000 0.218 86 A C 1.999 179.680 177.584 0.161 0.000 1.175 86 A CA 1.270 53.371 52.037 0.106 0.000 0.628 86 A CB -0.929 18.128 19.000 0.094 0.000 0.814 86 A HN 0.452 nan 8.150 nan 0.000 0.444 87 F N 0.705 120.660 119.950 0.008 0.000 2.134 87 F HA -0.154 4.373 4.527 -0.001 0.000 0.299 87 F C 2.422 178.245 175.800 0.038 0.000 1.097 87 F CA 1.987 59.997 58.000 0.017 0.000 1.264 87 F CB -0.513 38.492 39.000 0.008 0.000 1.001 87 F HN 0.336 nan 8.300 nan 0.000 0.479 88 Q N -0.746 119.087 119.800 0.056 0.000 2.083 88 Q HA -0.139 4.200 4.340 -0.001 0.000 0.198 88 Q C 2.386 178.377 176.000 -0.015 0.000 0.969 88 Q CA 1.792 57.574 55.803 -0.035 0.000 0.838 88 Q CB -0.340 28.413 28.738 0.025 0.000 0.900 88 Q HN 0.272 nan 8.270 nan 0.000 0.436 89 S N 1.052 116.771 115.700 0.031 0.000 2.382 89 S HA -0.141 4.328 4.470 -0.001 0.000 0.228 89 S C 1.808 176.451 174.600 0.070 0.000 1.027 89 S CA 0.920 59.149 58.200 0.048 0.000 0.991 89 S CB -0.227 63.002 63.200 0.048 0.000 0.823 89 S HN 0.240 nan 8.310 nan 0.000 0.469 90 L N 1.699 122.950 121.223 0.047 0.000 2.093 90 L HA 0.070 4.409 4.340 -0.001 0.000 0.208 90 L C 2.270 179.192 176.870 0.087 0.000 1.085 90 L CA 1.681 56.565 54.840 0.073 0.000 0.755 90 L CB -0.873 41.212 42.059 0.043 0.000 0.904 90 L HN 0.237 nan 8.230 nan 0.000 0.435 91 A N -1.729 121.060 122.820 -0.051 0.000 1.930 91 A HA -0.174 4.145 4.320 -0.001 0.000 0.217 91 A C 2.496 180.117 177.584 0.062 0.000 1.175 91 A CA 1.644 53.650 52.037 -0.051 0.000 0.627 91 A CB -0.989 17.895 19.000 -0.194 0.000 0.815 91 A HN 0.503 nan 8.150 nan 0.000 0.443 92 S N -1.666 114.065 115.700 0.052 0.000 2.356 92 S HA -0.220 4.250 4.470 -0.001 0.000 0.223 92 S C 1.921 176.576 174.600 0.091 0.000 1.032 92 S CA 1.738 59.971 58.200 0.056 0.000 1.005 92 S CB -0.560 62.670 63.200 0.050 0.000 0.867 92 S HN 0.699 nan 8.310 nan 0.000 0.449 93 Y N 0.335 120.655 120.300 0.034 0.000 2.224 93 Y HA -0.146 4.404 4.550 -0.001 0.000 0.289 93 Y C 2.084 178.031 175.900 0.079 0.000 1.146 93 Y CA 1.950 60.077 58.100 0.045 0.000 1.182 93 Y CB -0.742 37.750 38.460 0.052 0.000 0.983 93 Y HN 0.434 nan 8.280 nan 0.000 0.524 94 Y N 0.313 120.588 120.300 -0.041 0.000 2.352 94 Y HA -0.184 4.365 4.550 -0.001 0.000 0.292 94 Y C 1.984 177.783 175.900 -0.168 0.000 1.136 94 Y CA 1.415 59.437 58.100 -0.129 0.000 1.227 94 Y CB -0.344 38.107 38.460 -0.015 0.000 0.991 94 Y HN 0.204 nan 8.280 nan 0.000 0.545 95 L N -0.589 120.591 121.223 -0.071 0.000 2.109 95 L HA -0.163 4.176 4.340 -0.001 0.000 0.207 95 L C 2.106 178.860 176.870 -0.193 0.000 1.086 95 L CA 1.410 56.177 54.840 -0.122 0.000 0.760 95 L CB -0.334 41.696 42.059 -0.047 0.000 0.910 95 L HN 0.208 nan 8.230 nan 0.000 0.437 96 E N -0.041 120.029 120.200 -0.217 0.000 2.152 96 E HA -0.229 4.120 4.350 -0.001 0.000 0.192 96 E C 2.006 178.420 176.600 -0.309 0.000 0.983 96 E CA 0.745 57.010 56.400 -0.225 0.000 0.818 96 E CB 0.073 29.661 29.700 -0.186 0.000 0.758 96 E HN 0.323 nan 8.360 nan 0.000 0.467 97 K N 0.607 120.720 120.400 -0.477 0.000 2.103 97 K HA -0.055 4.264 4.320 -0.001 0.000 0.204 97 K C 1.830 178.215 176.600 -0.357 0.000 1.052 97 K CA 1.299 57.314 56.287 -0.454 0.000 0.945 97 K CB 0.187 32.330 32.500 -0.594 0.000 0.722 97 K HN -0.045 nan 8.250 nan 0.000 0.443 98 T N 0.107 114.410 114.554 -0.418 0.000 2.978 98 T HA -0.092 4.258 4.350 -0.001 0.000 0.262 98 T C 0.699 175.270 174.700 -0.215 0.000 1.063 98 T CA 1.446 63.336 62.100 -0.351 0.000 1.140 98 T CB -0.274 68.325 68.868 -0.449 0.000 0.886 98 T HN 0.644 nan 8.240 nan 0.000 0.470 99 T N 0.101 114.541 114.554 -0.192 0.000 4.210 99 T HA -0.215 4.134 4.350 -0.001 0.000 0.329 99 T C 0.203 174.836 174.700 -0.113 0.000 0.793 99 T CA 0.408 62.426 62.100 -0.136 0.000 1.935 99 T CB -2.743 66.057 68.868 -0.112 0.000 1.918 99 T HN 0.372 nan 8.240 nan 0.000 0.875 100 V N 0.820 120.666 119.914 -0.114 0.000 2.843 100 V HA 0.376 4.495 4.120 -0.001 0.000 0.305 100 V C 0.422 176.475 176.094 -0.068 0.000 1.065 100 V CA -0.136 62.121 62.300 -0.071 0.000 1.116 100 V CB 0.817 32.614 31.823 -0.043 0.000 0.968 100 V HN 0.547 nan 8.190 nan 0.000 0.487 101 D N 4.419 124.793 120.400 -0.044 0.000 2.312 101 D HA 0.326 4.966 4.640 -0.001 0.000 0.252 101 D C -0.339 175.907 176.300 -0.091 0.000 1.150 101 D CA 0.232 54.168 54.000 -0.107 0.000 0.870 101 D CB 1.544 42.314 40.800 -0.050 0.000 1.153 101 D HN 0.384 nan 8.370 nan 0.000 0.457 102 V N 3.376 123.129 119.914 -0.268 0.000 2.472 102 V HA 0.392 4.511 4.120 -0.001 0.000 0.290 102 V C -0.358 175.464 176.094 -0.453 0.000 1.037 102 V CA -0.679 61.515 62.300 -0.176 0.000 0.908 102 V CB 0.888 32.647 31.823 -0.106 0.000 0.985 102 V HN 0.301 nan 8.190 nan 0.000 0.454 103 F N 2.928 122.872 119.950 -0.010 0.000 2.445 103 F HA 0.719 5.246 4.527 -0.001 0.000 0.348 103 F C 0.456 176.261 175.800 0.008 0.000 1.125 103 F CA -0.582 57.417 58.000 -0.002 0.000 0.983 103 F CB 1.590 40.588 39.000 -0.003 0.000 1.198 103 F HN 0.529 nan 8.300 nan 0.000 0.436 104 A N 3.298 126.176 122.820 0.096 0.000 2.290 104 A HA 0.819 5.138 4.320 -0.001 0.000 0.310 104 A C -0.878 176.763 177.584 0.094 0.000 1.202 104 A CA -0.571 51.513 52.037 0.078 0.000 0.837 104 A CB 0.799 19.819 19.000 0.033 0.000 1.139 104 A HN 0.544 nan 8.150 nan 0.000 0.509 105 V N 1.674 121.640 119.914 0.086 0.000 2.656 105 V HA 0.665 4.785 4.120 -0.001 0.000 0.307 105 V C 0.031 176.164 176.094 0.066 0.000 1.051 105 V CA -0.348 62.000 62.300 0.080 0.000 0.893 105 V CB 2.144 34.014 31.823 0.077 0.000 0.999 105 V HN 0.955 nan 8.190 nan 0.000 0.426 106 T N 2.734 117.327 114.554 0.065 0.000 2.840 106 T HA 0.713 5.062 4.350 -0.001 0.000 0.287 106 T C -0.274 174.458 174.700 0.053 0.000 0.991 106 T CA 0.369 62.502 62.100 0.055 0.000 0.964 106 T CB 0.735 69.632 68.868 0.050 0.000 0.954 106 T HN 1.747 nan 8.240 nan 0.000 0.438 107 G N 3.302 112.130 108.800 0.047 0.000 2.949 107 G HA2 0.068 4.028 3.960 -0.001 0.000 0.658 107 G HA3 0.068 4.028 3.960 -0.001 0.000 0.658 107 G C 0.072 175.001 174.900 0.048 0.000 1.194 107 G CA -0.016 45.110 45.100 0.043 0.000 1.204 107 G HN 0.939 nan 8.290 nan 0.000 0.524 108 S N 1.287 117.014 115.700 0.046 0.000 2.183 108 S HA 0.510 4.979 4.470 -0.001 0.000 0.189 108 S C 1.410 176.040 174.600 0.051 0.000 1.420 108 S CA 2.258 60.488 58.200 0.050 0.000 1.591 108 S CB 0.564 63.795 63.200 0.051 0.000 0.525 108 S HN 2.085 nan 8.310 nan 0.000 0.388 109 N N -3.120 115.608 118.700 0.047 0.000 2.620 109 N HA 0.198 4.938 4.740 -0.001 0.000 0.360 109 N C 0.129 175.655 175.510 0.027 0.000 0.630 109 N CA 1.126 54.195 53.050 0.033 0.000 1.799 109 N CB -0.686 37.859 38.487 0.097 0.000 1.383 109 N HN 0.746 nan 8.380 nan 0.000 1.887 110 G N 0.083 108.933 108.800 0.084 0.000 3.178 110 G HA2 0.117 4.076 3.960 -0.001 0.000 0.134 110 G HA3 0.117 4.076 3.960 -0.001 0.000 0.134 110 G C -0.028 174.942 174.900 0.117 0.000 1.143 110 G CA 0.504 45.659 45.100 0.091 0.000 1.487 110 G HN 0.230 nan 8.290 nan 0.000 0.711 111 K N 0.346 120.846 120.400 0.168 0.000 1.991 111 K HA 0.024 4.343 4.320 -0.001 0.000 0.212 111 K C 0.476 177.124 176.600 0.080 0.000 1.049 111 K CA 1.897 58.255 56.287 0.118 0.000 0.932 111 K CB -0.335 32.237 32.500 0.120 0.000 0.717 111 K HN 0.505 nan 8.250 nan 0.000 0.441 112 T N 0.049 114.656 114.554 0.088 0.000 3.089 112 T HA 0.148 4.497 4.350 -0.001 0.000 0.340 112 T C -0.280 174.464 174.700 0.074 0.000 1.008 112 T CA -1.000 61.135 62.100 0.057 0.000 1.096 112 T CB 1.030 69.922 68.868 0.040 0.000 1.024 112 T HN 0.202 nan 8.240 nan 0.000 0.477 113 T N 0.794 115.386 114.554 0.065 0.000 2.932 113 T HA 0.133 4.482 4.350 -0.001 0.000 0.312 113 T C 1.603 176.337 174.700 0.057 0.000 1.071 113 T CA 0.091 62.230 62.100 0.065 0.000 1.128 113 T CB 0.508 69.405 68.868 0.049 0.000 0.984 113 T HN 0.471 nan 8.240 nan 0.000 0.549 114 T N 1.577 116.165 114.554 0.057 0.000 2.737 114 T HA -0.152 4.198 4.350 -0.001 0.000 0.269 114 T C 1.836 176.563 174.700 0.046 0.000 1.040 114 T CA 1.585 63.715 62.100 0.050 0.000 1.142 114 T CB -0.297 68.590 68.868 0.032 0.000 0.861 114 T HN 0.763 nan 8.240 nan 0.000 0.456 115 K N 1.052 121.475 120.400 0.040 0.000 2.032 115 K HA -0.121 4.198 4.320 -0.001 0.000 0.209 115 K C 0.603 177.209 176.600 0.011 0.000 1.048 115 K CA 1.309 57.613 56.287 0.028 0.000 0.927 115 K CB -0.194 32.321 32.500 0.025 0.000 0.712 115 K HN 0.322 nan 8.250 nan 0.000 0.441 119 A N -0.501 122.288 122.820 -0.051 0.000 1.969 119 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 119 A C 2.074 179.641 177.584 -0.028 0.000 1.169 119 A CA 2.027 54.031 52.037 -0.055 0.000 0.635 119 A CB -0.907 18.074 19.000 -0.032 0.000 0.810 119 A HN 0.766 nan 8.150 nan 0.000 0.445 120 H N 0.003 119.001 119.070 -0.119 0.000 2.357 120 H HA 0.058 4.613 4.556 -0.001 0.000 0.301 120 H C 1.714 176.930 175.328 -0.187 0.000 1.082 120 H CA 1.814 57.775 56.048 -0.145 0.000 1.342 120 H CB -0.188 29.462 29.762 -0.187 0.000 1.389 120 H HN 0.359 nan 8.280 nan 0.000 0.511 121 L N -0.269 120.805 121.223 -0.248 0.000 2.093 121 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 121 L C 2.317 179.069 176.870 -0.196 0.000 1.085 121 L CA 0.835 55.498 54.840 -0.295 0.000 0.755 121 L CB -0.370 41.555 42.059 -0.223 0.000 0.904 121 L HN 0.314 nan 8.230 nan 0.000 0.435 122 L N -1.003 120.133 121.223 -0.144 0.000 2.217 122 L HA -0.120 4.219 4.340 -0.001 0.000 0.211 122 L C 2.557 179.427 176.870 -0.000 0.000 1.107 122 L CA 0.594 55.404 54.840 -0.050 0.000 0.783 122 L CB -0.376 41.595 42.059 -0.148 0.000 0.919 122 L HN 0.167 nan 8.230 nan 0.000 0.442 123 S N -0.636 115.015 115.700 -0.083 0.000 2.469 123 S HA -0.147 4.323 4.470 -0.001 0.000 0.238 123 S C 2.071 176.607 174.600 -0.108 0.000 0.998 123 S CA 1.581 59.741 58.200 -0.068 0.000 0.957 123 S CB -0.284 62.865 63.200 -0.086 0.000 0.764 123 S HN 0.650 nan 8.310 nan 0.000 0.514 124 T N -0.180 114.276 114.554 -0.163 0.000 2.951 124 T HA 0.058 4.407 4.350 -0.001 0.000 0.268 124 T C 1.638 176.232 174.700 -0.177 0.000 1.073 124 T CA 0.680 62.680 62.100 -0.165 0.000 1.134 124 T CB -0.050 68.709 68.868 -0.182 0.000 0.884 124 T HN 0.340 nan 8.240 nan 0.000 0.479 125 R N -1.354 119.002 120.500 -0.239 0.000 2.342 125 R HA 0.328 4.667 4.340 -0.001 0.000 0.204 125 R C -0.406 175.559 176.300 -0.559 0.000 0.882 125 R CA -0.002 55.812 56.100 -0.478 0.000 1.041 125 R CB 0.712 30.524 30.300 -0.813 0.000 1.188 125 R HN 0.391 nan 8.270 nan 0.000 0.598 126 Y N 0.601 120.868 120.300 -0.054 0.000 2.598 126 Y HA 0.369 4.919 4.550 -0.001 0.000 0.340 126 Y C -0.234 175.652 175.900 -0.023 0.000 1.038 126 Y CA -1.238 56.843 58.100 -0.033 0.000 1.100 126 Y CB 1.008 39.451 38.460 -0.028 0.000 1.281 126 Y HN -0.414 nan 8.280 nan 0.000 0.488 127 K N 2.000 122.508 120.400 0.181 0.000 2.315 127 K HA 0.247 4.567 4.320 -0.001 0.000 0.291 127 K C -0.461 176.214 176.600 0.124 0.000 1.074 127 K CA -0.167 56.186 56.287 0.109 0.000 0.936 127 K CB 0.051 32.599 32.500 0.079 0.000 1.049 127 K HN 0.729 nan 8.250 nan 0.000 0.471 128 T N 0.221 114.845 114.554 0.117 0.000 2.841 128 T HA 0.338 4.688 4.350 -0.001 0.000 0.283 128 T C -1.082 173.728 174.700 0.184 0.000 1.000 128 T CA -0.792 61.378 62.100 0.117 0.000 0.977 128 T CB 0.880 69.779 68.868 0.052 0.000 0.979 128 T HN 0.381 nan 8.240 nan 0.000 0.446 129 Y N 2.088 122.412 120.300 0.039 0.000 2.549 129 Y HA 0.730 5.279 4.550 -0.001 0.000 0.339 129 Y C -0.288 175.643 175.900 0.052 0.000 1.053 129 Y CA -1.224 56.904 58.100 0.046 0.000 1.105 129 Y CB 1.793 40.287 38.460 0.056 0.000 1.258 129 Y HN 1.074 nan 8.280 nan 0.000 0.478 130 K N 0.187 120.192 120.400 -0.658 0.000 2.499 130 K HA 0.502 4.822 4.320 -0.001 0.000 0.277 130 K C -1.413 174.877 176.600 -0.518 0.000 1.025 130 K CA -1.002 55.043 56.287 -0.404 0.000 0.900 130 K CB 1.199 33.577 32.500 -0.204 0.000 1.494 130 K HN 0.487 nan 8.250 nan 0.000 0.442 131 T N 2.510 116.936 114.554 -0.212 0.000 2.867 131 T HA 0.039 4.388 4.350 -0.001 0.000 0.297 131 T C -0.385 174.225 174.700 -0.151 0.000 0.989 131 T CA -0.156 61.878 62.100 -0.110 0.000 1.159 131 T CB 0.349 69.221 68.868 0.006 0.000 0.928 131 T HN 0.263 nan 8.240 nan 0.000 0.538 132 Q N 2.166 121.868 119.800 -0.163 0.000 2.243 132 Q HA 0.484 4.823 4.340 -0.001 0.000 0.252 132 Q C 1.218 177.119 176.000 -0.166 0.000 0.909 132 Q CA 0.155 55.838 55.803 -0.200 0.000 0.922 132 Q CB 1.286 29.875 28.738 -0.249 0.000 1.215 132 Q HN 0.980 nan 8.270 nan 0.000 0.427 133 G N 3.714 112.427 108.800 -0.145 0.000 2.622 133 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.307 133 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.307 133 G C 0.277 175.193 174.900 0.026 0.000 1.226 133 G CA 0.571 45.617 45.100 -0.090 0.000 0.997 133 G HN 0.807 nan 8.290 nan 0.000 0.551 134 N N 0.054 118.834 118.700 0.134 0.000 2.401 134 N HA 0.175 4.914 4.740 -0.001 0.000 0.264 134 N C 0.031 175.671 175.510 0.216 0.000 1.238 134 N CA -0.283 52.854 53.050 0.145 0.000 0.889 134 N CB -0.099 38.455 38.487 0.112 0.000 1.196 134 N HN 0.680 nan 8.380 nan 0.000 0.511 135 Y N 1.905 122.208 120.300 0.005 0.000 2.889 135 Y HA 0.036 4.585 4.550 -0.001 0.000 0.367 135 Y C 0.876 176.799 175.900 0.040 0.000 1.197 135 Y CA -0.610 57.504 58.100 0.024 0.000 1.993 135 Y CB -0.305 38.185 38.460 0.049 0.000 2.112 135 Y HN 0.284 nan 8.280 nan 0.000 0.413 136 N N -0.730 118.035 118.700 0.109 0.000 2.275 136 N HA -0.005 4.734 4.740 -0.001 0.000 0.236 136 N C -0.556 174.979 175.510 0.041 0.000 1.154 136 N CA -0.264 52.833 53.050 0.078 0.000 0.866 136 N CB -0.304 38.225 38.487 0.070 0.000 1.093 136 N HN 0.370 nan 8.380 nan 0.000 0.515 137 N N 0.044 118.749 118.700 0.007 0.000 3.061 137 N HA 0.103 4.843 4.740 -0.001 0.000 0.346 137 N C 0.866 176.373 175.510 -0.004 0.000 1.392 137 N CA -0.501 52.544 53.050 -0.008 0.000 0.762 137 N CB 0.074 38.535 38.487 -0.043 0.000 1.367 137 N HN 0.028 nan 8.380 nan 0.000 0.607 138 E N -0.549 119.644 120.200 -0.012 0.000 2.401 138 E HA -0.116 4.234 4.350 -0.001 0.000 0.199 138 E C 0.693 177.306 176.600 0.021 0.000 1.023 138 E CA 1.033 57.436 56.400 0.005 0.000 0.859 138 E CB -0.317 29.384 29.700 0.003 0.000 0.780 138 E HN 0.588 nan 8.360 nan 0.000 0.523 139 I N 0.699 121.249 120.570 -0.033 0.000 3.194 139 I HA 0.134 4.303 4.170 -0.001 0.000 0.271 139 I C 2.462 178.622 176.117 0.072 0.000 1.150 139 I CA 1.050 62.333 61.300 -0.028 0.000 1.440 139 I CB -0.555 37.238 38.000 -0.345 0.000 1.276 139 I HN 0.160 nan 8.210 nan 0.000 0.457 140 G N 0.763 109.528 108.800 -0.057 0.000 2.421 140 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.216 140 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.216 140 G C 1.763 176.828 174.900 0.274 0.000 1.171 140 G CA 0.893 46.029 45.100 0.060 0.000 0.775 140 G HN 0.300 nan 8.290 nan 0.000 0.543 141 L N 1.164 122.481 121.223 0.157 0.000 1.989 141 L HA -0.012 4.327 4.340 -0.001 0.000 0.211 141 L C 0.108 177.053 176.870 0.125 0.000 1.071 141 L CA 1.653 56.576 54.840 0.138 0.000 0.749 141 L CB -0.636 41.468 42.059 0.075 0.000 0.890 141 L HN 0.149 nan 8.230 nan 0.000 0.431 142 P HA -0.257 nan 4.420 nan 0.000 0.216 142 P C 1.108 178.343 177.300 -0.109 0.000 1.153 142 P CA 1.677 64.679 63.100 -0.162 0.000 0.858 142 P CB -0.226 31.253 31.700 -0.368 0.000 0.789 143 Y N 0.367 120.734 120.300 0.111 0.000 2.114 143 Y HA -0.241 4.308 4.550 -0.001 0.000 0.284 143 Y C 2.226 178.318 175.900 0.319 0.000 1.143 143 Y CA 2.329 60.662 58.100 0.388 0.000 1.135 143 Y CB -1.155 37.669 38.460 0.607 0.000 0.980 143 Y HN -0.099 nan 8.280 nan 0.000 0.499 144 T N -0.079 114.749 114.554 0.457 0.000 2.665 144 T HA -0.241 4.109 4.350 -0.001 0.000 0.268 144 T C 2.019 176.903 174.700 0.307 0.000 1.035 144 T CA 1.852 64.173 62.100 0.368 0.000 1.151 144 T CB -0.925 68.105 68.868 0.269 0.000 0.862 144 T HN 0.224 nan 8.240 nan 0.000 0.438 145 V N 1.705 121.736 119.914 0.194 0.000 2.231 145 V HA -0.187 3.932 4.120 -0.001 0.000 0.248 145 V C 2.498 178.675 176.094 0.137 0.000 1.054 145 V CA 1.782 64.183 62.300 0.168 0.000 1.015 145 V CB -0.789 31.089 31.823 0.092 0.000 0.638 145 V HN 0.454 nan 8.190 nan 0.000 0.444 146 L N -1.484 119.724 121.223 -0.025 0.000 2.353 146 L HA -0.091 4.248 4.340 -0.001 0.000 0.220 146 L C 1.469 178.194 176.870 -0.243 0.000 1.133 146 L CA 0.864 55.559 54.840 -0.241 0.000 0.798 146 L CB -0.611 41.290 42.059 -0.263 0.000 0.922 146 L HN 0.472 nan 8.230 nan 0.000 0.445 150 E N 0.864 121.031 120.200 -0.055 0.000 2.452 150 E HA 0.395 4.745 4.350 -0.001 0.000 0.261 150 E C 1.181 177.766 176.600 -0.026 0.000 0.987 150 E CA 1.855 58.240 56.400 -0.024 0.000 0.926 150 E CB -0.118 29.573 29.700 -0.016 0.000 0.934 150 E HN 0.801 nan 8.360 nan 0.000 0.452 151 G N 3.090 111.874 108.800 -0.025 0.000 2.157 151 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.248 151 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.248 151 G C 0.350 175.251 174.900 0.001 0.000 0.979 151 G CA 0.224 45.315 45.100 -0.014 0.000 0.650 151 G HN 0.683 nan 8.290 nan 0.000 0.529 152 T N 0.569 115.123 114.554 0.000 0.000 2.928 152 T HA 0.350 4.700 4.350 -0.001 0.000 0.305 152 T C 1.318 176.036 174.700 0.030 0.000 1.035 152 T CA 1.039 63.160 62.100 0.034 0.000 1.145 152 T CB 1.244 70.146 68.868 0.056 0.000 0.963 152 T HN 0.468 nan 8.240 nan 0.000 0.545 153 E N 1.106 121.337 120.200 0.052 0.000 2.290 153 E HA 0.077 4.426 4.350 -0.001 0.000 0.199 153 E C 0.118 176.715 176.600 -0.004 0.000 0.912 153 E CA 0.265 56.675 56.400 0.017 0.000 0.924 153 E CB 0.429 30.163 29.700 0.057 0.000 0.901 153 E HN 0.275 nan 8.360 nan 0.000 0.487 154 K N 1.298 121.719 120.400 0.035 0.000 2.426 154 K HA 0.379 4.699 4.320 -0.001 0.000 0.254 154 K C -1.227 175.459 176.600 0.143 0.000 0.936 154 K CA -0.798 55.542 56.287 0.087 0.000 0.801 154 K CB 2.490 34.937 32.500 -0.088 0.000 1.139 154 K HN -0.055 nan 8.250 nan 0.000 0.424 155 L N 3.153 124.514 121.223 0.230 0.000 2.316 155 L HA 0.358 4.697 4.340 -0.001 0.000 0.280 155 L C -1.200 175.812 176.870 0.237 0.000 1.006 155 L CA -0.707 54.255 54.840 0.203 0.000 0.836 155 L CB 1.636 43.798 42.059 0.172 0.000 1.221 155 L HN 0.322 nan 8.230 nan 0.000 0.418 156 V N 6.903 126.900 119.914 0.138 0.000 2.333 156 V HA 0.383 4.502 4.120 -0.001 0.000 0.274 156 V C 0.060 176.200 176.094 0.076 0.000 1.028 156 V CA -0.394 61.985 62.300 0.131 0.000 0.851 156 V CB 1.040 32.886 31.823 0.038 0.000 1.000 156 V HN 0.572 nan 8.190 nan 0.000 0.456 157 L N 4.873 126.156 121.223 0.100 0.000 2.280 157 L HA 0.554 4.893 4.340 -0.001 0.000 0.287 157 L C 0.416 177.326 176.870 0.067 0.000 1.023 157 L CA -0.223 54.660 54.840 0.071 0.000 0.819 157 L CB 1.654 43.756 42.059 0.072 0.000 1.212 157 L HN 0.671 nan 8.230 nan 0.000 0.420 161 Q N -0.700 119.153 119.800 0.087 0.000 2.320 161 Q HA 0.598 4.937 4.340 -0.001 0.000 0.272 161 Q C -1.444 174.672 176.000 0.193 0.000 1.023 161 Q CA -0.919 54.971 55.803 0.143 0.000 0.855 161 Q CB 2.723 31.593 28.738 0.219 0.000 1.367 161 Q HN 0.311 nan 8.270 nan 0.000 0.406 162 D N -0.003 120.431 120.400 0.056 0.000 2.463 162 D HA 0.107 4.747 4.640 -0.001 0.000 0.237 162 D C -0.228 175.825 176.300 -0.412 0.000 1.013 162 D CA 0.773 54.684 54.000 -0.148 0.000 0.910 162 D CB 0.705 41.217 40.800 -0.481 0.000 1.080 162 D HN 0.490 nan 8.370 nan 0.000 0.498 163 H N 0.152 119.130 119.070 -0.153 0.000 2.747 163 H HA 0.265 4.821 4.556 -0.001 0.000 0.371 163 H C -0.432 174.706 175.328 -0.316 0.000 1.161 163 H CA -0.965 54.816 56.048 -0.445 0.000 1.167 163 H CB 2.111 31.678 29.762 -0.325 0.000 1.732 163 H HN -0.061 nan 8.280 nan 0.000 0.544 164 L N 1.186 122.195 121.223 -0.357 0.000 2.540 164 L HA 0.219 4.558 4.340 -0.001 0.000 0.276 164 L C 1.235 178.123 176.870 0.029 0.000 1.212 164 L CA 1.875 56.700 54.840 -0.023 0.000 0.893 164 L CB -0.186 41.846 42.059 -0.045 0.000 1.138 164 L HN 1.054 nan 8.230 nan 0.000 0.491 165 G N 2.524 111.380 108.800 0.094 0.000 2.213 165 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.226 165 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.226 165 G C 0.840 175.818 174.900 0.130 0.000 0.992 165 G CA 0.274 45.429 45.100 0.093 0.000 0.632 165 G HN 0.642 nan 8.290 nan 0.000 0.511 166 D N 0.547 121.019 120.400 0.119 0.000 2.117 166 D HA 0.039 4.678 4.640 -0.001 0.000 0.198 166 D C 2.619 178.976 176.300 0.095 0.000 0.982 166 D CA 1.051 55.110 54.000 0.099 0.000 0.828 166 D CB -0.082 40.772 40.800 0.090 0.000 0.967 166 D HN 0.530 nan 8.370 nan 0.000 0.464 167 I N 0.249 120.885 120.570 0.112 0.000 2.439 167 I HA -0.232 3.937 4.170 -0.001 0.000 0.251 167 I C 2.336 178.494 176.117 0.068 0.000 1.139 167 I CA 0.707 62.056 61.300 0.082 0.000 1.438 167 I CB -0.245 37.805 38.000 0.082 0.000 1.085 167 I HN 0.054 nan 8.210 nan 0.000 0.427 168 H N 1.467 120.559 119.070 0.037 0.000 2.352 168 H HA -0.229 4.326 4.556 -0.001 0.000 0.299 168 H C 2.154 177.496 175.328 0.024 0.000 1.097 168 H CA 1.946 58.011 56.048 0.029 0.000 1.311 168 H CB -0.124 29.654 29.762 0.027 0.000 1.377 168 H HN 0.260 nan 8.280 nan 0.000 0.504 169 L N -0.336 120.893 121.223 0.009 0.000 2.046 169 L HA -0.119 4.221 4.340 -0.001 0.000 0.208 169 L C 2.137 178.969 176.870 -0.064 0.000 1.077 169 L CA 1.265 56.090 54.840 -0.025 0.000 0.747 169 L CB -0.239 41.854 42.059 0.056 0.000 0.896 169 L HN 0.360 nan 8.230 nan 0.000 0.432 170 L N -1.148 120.058 121.223 -0.029 0.000 2.046 170 L HA -0.211 4.128 4.340 -0.001 0.000 0.208 170 L C 2.786 179.627 176.870 -0.048 0.000 1.077 170 L CA 1.415 56.243 54.840 -0.021 0.000 0.747 170 L CB -0.754 41.310 42.059 0.009 0.000 0.896 170 L HN 0.314 nan 8.230 nan 0.000 0.432 171 S N -0.237 115.416 115.700 -0.078 0.000 2.356 171 S HA -0.228 4.242 4.470 -0.001 0.000 0.223 171 S C 1.905 176.435 174.600 -0.117 0.000 1.032 171 S CA 1.589 59.736 58.200 -0.088 0.000 1.005 171 S CB -0.057 63.086 63.200 -0.095 0.000 0.867 171 S HN 0.337 nan 8.310 nan 0.000 0.449 172 E N 1.024 121.110 120.200 -0.190 0.000 2.110 172 E HA -0.056 4.293 4.350 -0.001 0.000 0.193 172 E C 1.953 178.504 176.600 -0.082 0.000 0.988 172 E CA 1.001 57.304 56.400 -0.161 0.000 0.804 172 E CB -0.396 29.168 29.700 -0.226 0.000 0.745 172 E HN 0.574 nan 8.360 nan 0.000 0.458 173 L N -0.691 120.492 121.223 -0.065 0.000 2.027 173 L HA -0.101 4.238 4.340 -0.001 0.000 0.206 173 L C 2.026 178.879 176.870 -0.028 0.000 1.074 173 L CA 1.675 56.495 54.840 -0.033 0.000 0.745 173 L CB -0.238 41.807 42.059 -0.024 0.000 0.898 173 L HN 0.210 nan 8.230 nan 0.000 0.433 174 A N -0.806 121.994 122.820 -0.032 0.000 2.021 174 A HA 0.009 4.328 4.320 -0.001 0.000 0.216 174 A C 1.012 178.568 177.584 -0.047 0.000 1.163 174 A CA 0.148 52.168 52.037 -0.028 0.000 0.676 174 A CB -0.115 18.877 19.000 -0.015 0.000 0.818 174 A HN 0.538 nan 8.150 nan 0.000 0.453 175 R N -1.265 119.201 120.500 -0.057 0.000 3.127 175 R HA -0.119 4.220 4.340 -0.001 0.000 0.247 175 R C -2.527 173.720 176.300 -0.089 0.000 0.896 175 R CA 0.372 56.431 56.100 -0.067 0.000 0.624 175 R CB -2.082 28.181 30.300 -0.062 0.000 1.154 175 R HN 0.367 nan 8.270 nan 0.000 0.474 176 P HA -0.057 nan 4.420 nan 0.000 0.265 176 P C 0.606 177.798 177.300 -0.180 0.000 1.193 176 P CA 0.053 63.069 63.100 -0.139 0.000 0.765 176 P CB 0.747 32.392 31.700 -0.093 0.000 0.823 177 K N 1.278 121.495 120.400 -0.305 0.000 2.116 177 K HA 0.019 4.338 4.320 -0.001 0.000 0.203 177 K C -0.090 176.354 176.600 -0.260 0.000 1.052 177 K CA 1.087 57.191 56.287 -0.306 0.000 0.952 177 K CB 0.265 32.490 32.500 -0.458 0.000 0.729 177 K HN 0.437 nan 8.250 nan 0.000 0.446 178 T N -0.162 114.200 114.554 -0.320 0.000 2.900 178 T HA 0.653 5.002 4.350 -0.001 0.000 0.303 178 T C -1.732 172.946 174.700 -0.036 0.000 1.142 178 T CA -0.756 61.271 62.100 -0.122 0.000 1.007 178 T CB 1.931 70.789 68.868 -0.017 0.000 1.156 178 T HN 0.229 nan 8.240 nan 0.000 0.490 179 A N 1.987 124.832 122.820 0.042 0.000 2.539 179 A HA 0.927 5.247 4.320 -0.001 0.000 0.296 179 A C -1.509 176.135 177.584 0.101 0.000 1.073 179 A CA -0.712 51.365 52.037 0.067 0.000 0.700 179 A CB 1.155 20.179 19.000 0.040 0.000 1.296 179 A HN 0.793 nan 8.150 nan 0.000 0.405 180 I N 1.306 121.939 120.570 0.106 0.000 2.533 180 I HA 0.471 4.640 4.170 -0.001 0.000 0.290 180 I C -1.094 175.094 176.117 0.118 0.000 1.056 180 I CA -0.955 60.414 61.300 0.115 0.000 1.057 180 I CB 2.257 40.309 38.000 0.087 0.000 1.240 180 I HN 0.322 nan 8.210 nan 0.000 0.423 181 V N 4.397 124.414 119.914 0.171 0.000 2.409 181 V HA 0.255 4.374 4.120 -0.001 0.000 0.291 181 V C 0.796 177.052 176.094 0.271 0.000 1.020 181 V CA -0.270 62.129 62.300 0.165 0.000 0.848 181 V CB 1.571 33.473 31.823 0.132 0.000 0.990 181 V HN 0.958 nan 8.190 nan 0.000 0.430 182 T N 2.594 117.267 114.554 0.200 0.000 3.033 182 T HA 0.238 4.587 4.350 -0.001 0.000 0.248 182 T C 0.897 175.716 174.700 0.199 0.000 1.040 182 T CA 0.574 62.824 62.100 0.250 0.000 1.133 182 T CB 0.118 69.059 68.868 0.122 0.000 0.895 182 T HN 0.753 nan 8.240 nan 0.000 0.465 183 L N 0.401 121.686 121.223 0.104 0.000 0.640 183 L HA -0.089 4.250 4.340 -0.001 0.000 0.357 183 L C -0.673 176.213 176.870 0.028 0.000 1.037 183 L CA 0.486 55.352 54.840 0.043 0.000 1.221 183 L CB -0.251 41.824 42.059 0.027 0.000 0.028 183 L HN 0.773 nan 8.230 nan 0.000 0.112 184 V N 1.208 121.115 119.914 -0.013 0.000 2.811 184 V HA 0.561 4.680 4.120 -0.001 0.000 0.253 184 V C -0.068 175.992 176.094 -0.057 0.000 1.801 184 V CA -0.011 62.272 62.300 -0.028 0.000 0.886 184 V CB 1.136 32.941 31.823 -0.030 0.000 1.362 184 V HN 1.527 nan 8.190 nan 0.000 0.455 185 G N 3.674 112.438 108.800 -0.059 0.000 2.356 185 G HA2 0.642 4.601 3.960 -0.001 0.000 0.300 185 G HA3 0.642 4.601 3.960 -0.001 0.000 0.300 185 G C 0.011 174.857 174.900 -0.089 0.000 1.107 185 G CA 0.560 45.615 45.100 -0.075 0.000 0.960 185 G HN 1.675 nan 8.290 nan 0.000 0.418 186 E N 0.908 121.047 120.200 -0.100 0.000 2.418 186 E HA 0.516 4.865 4.350 -0.001 0.000 0.261 186 E C 1.184 177.694 176.600 -0.151 0.000 1.070 186 E CA 0.280 56.612 56.400 -0.114 0.000 0.931 186 E CB 0.759 30.422 29.700 -0.061 0.000 0.954 186 E HN 0.993 nan 8.360 nan 0.000 0.439 187 A N 0.590 123.237 122.820 -0.288 0.000 2.172 187 A HA 0.146 4.465 4.320 -0.001 0.000 0.215 187 A C 1.830 179.264 177.584 -0.251 0.000 1.610 187 A CA 1.338 53.180 52.037 -0.326 0.000 0.606 187 A CB -0.976 17.728 19.000 -0.494 0.000 1.182 187 A HN 1.150 nan 8.150 nan 0.000 0.499 188 H N 0.899 119.865 119.070 -0.173 0.000 2.561 188 H HA 0.160 4.715 4.556 -0.001 0.000 0.278 188 H C 0.453 175.734 175.328 -0.077 0.000 1.014 188 H CA 0.091 56.044 56.048 -0.159 0.000 1.211 188 H CB -1.829 27.770 29.762 -0.272 0.000 1.365 188 H HN 0.359 nan 8.280 nan 0.000 0.594 189 L N -0.714 120.634 121.223 0.209 0.000 4.421 189 L HA -0.145 4.194 4.340 -0.001 0.000 0.463 189 L C 0.584 177.594 176.870 0.232 0.000 1.120 189 L CA 0.201 55.179 54.840 0.230 0.000 0.782 189 L CB -2.507 39.628 42.059 0.127 0.000 1.179 189 L HN 0.464 nan 8.230 nan 0.000 0.674 190 A N 1.916 124.856 122.820 0.200 0.000 2.492 190 A HA 0.454 4.773 4.320 -0.001 0.000 0.236 190 A C 1.119 178.807 177.584 0.174 0.000 1.078 190 A CA 0.495 52.541 52.037 0.016 0.000 0.773 190 A CB -0.407 18.502 19.000 -0.153 0.000 1.023 190 A HN 0.852 nan 8.150 nan 0.000 0.504 191 F N -2.340 117.667 119.950 0.094 0.000 2.740 191 F HA -0.264 4.263 4.527 -0.001 0.000 0.493 191 F C 0.382 176.170 175.800 -0.019 0.000 0.542 191 F CA 2.021 60.055 58.000 0.056 0.000 0.830 191 F CB -1.956 37.026 39.000 -0.029 0.000 1.587 191 F HN 0.471 nan 8.300 nan 0.000 0.264 192 F N 0.347 120.429 119.950 0.219 0.000 2.432 192 F HA 0.392 4.918 4.527 -0.001 0.000 0.329 192 F C 1.372 177.224 175.800 0.087 0.000 1.076 192 F CA -0.751 57.331 58.000 0.137 0.000 1.018 192 F CB 1.256 40.316 39.000 0.101 0.000 1.201 192 F HN -0.312 nan 8.300 nan 0.000 0.489 193 K N 0.296 120.873 120.400 0.294 0.000 2.044 193 K HA 0.070 4.389 4.320 -0.001 0.000 0.204 193 K C -0.476 176.206 176.600 0.137 0.000 1.045 193 K CA 0.982 57.369 56.287 0.167 0.000 0.951 193 K CB 0.044 32.618 32.500 0.123 0.000 0.738 193 K HN 0.689 nan 8.250 nan 0.000 0.443 194 D N -1.945 118.542 120.400 0.145 0.000 2.692 194 D HA 0.111 4.751 4.640 -0.001 0.000 0.290 194 D C 0.199 176.523 176.300 0.040 0.000 1.281 194 D CA -0.685 53.359 54.000 0.074 0.000 0.804 194 D CB 0.689 41.523 40.800 0.058 0.000 1.331 194 D HN -0.205 nan 8.370 nan 0.000 0.432 195 R N 0.129 120.632 120.500 0.005 0.000 2.115 195 R HA -0.140 4.199 4.340 -0.001 0.000 0.239 195 R C 2.117 178.411 176.300 -0.010 0.000 1.133 195 R CA 2.210 58.295 56.100 -0.024 0.000 0.935 195 R CB -0.759 29.533 30.300 -0.015 0.000 0.853 195 R HN 0.401 nan 8.270 nan 0.000 0.433 196 S N 0.391 116.119 115.700 0.047 0.000 2.392 196 S HA -0.226 4.243 4.470 -0.001 0.000 0.232 196 S C 1.845 176.456 174.600 0.019 0.000 1.041 196 S CA 1.554 59.820 58.200 0.110 0.000 1.026 196 S CB -0.169 63.135 63.200 0.172 0.000 0.845 196 S HN 0.394 nan 8.310 nan 0.000 0.465 197 E N 0.280 120.500 120.200 0.034 0.000 2.107 197 E HA -0.063 4.286 4.350 -0.001 0.000 0.191 197 E C 1.968 178.552 176.600 -0.027 0.000 0.982 197 E CA 0.798 57.231 56.400 0.055 0.000 0.809 197 E CB -0.107 29.740 29.700 0.245 0.000 0.756 197 E HN 0.498 nan 8.360 nan 0.000 0.459 198 I N 0.986 121.424 120.570 -0.220 0.000 2.208 198 I HA -0.287 3.882 4.170 -0.001 0.000 0.245 198 I C 2.547 178.477 176.117 -0.311 0.000 1.097 198 I CA 1.120 62.072 61.300 -0.581 0.000 1.363 198 I CB -0.349 37.342 38.000 -0.514 0.000 1.051 198 I HN 0.171 nan 8.210 nan 0.000 0.413 199 A N 0.529 123.230 122.820 -0.198 0.000 1.933 199 A HA -0.252 4.068 4.320 -0.001 0.000 0.218 199 A C 2.385 179.806 177.584 -0.271 0.000 1.175 199 A CA 1.814 53.770 52.037 -0.136 0.000 0.628 199 A CB -0.486 18.514 19.000 -0.001 0.000 0.814 199 A HN 0.367 nan 8.150 nan 0.000 0.444 200 K N -0.637 119.424 120.400 -0.565 0.000 2.026 200 K HA -0.096 4.223 4.320 -0.001 0.000 0.208 200 K C 2.036 178.461 176.600 -0.292 0.000 1.048 200 K CA 1.403 57.158 56.287 -0.885 0.000 0.929 200 K CB -0.521 31.432 32.500 -0.912 0.000 0.713 200 K HN 0.372 nan 8.250 nan 0.000 0.439 201 G N 1.466 110.201 108.800 -0.108 0.000 2.408 201 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.217 201 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.217 201 G C 0.504 175.417 174.900 0.022 0.000 1.150 201 G CA 0.392 45.523 45.100 0.051 0.000 0.776 201 G HN 0.232 nan 8.290 nan 0.000 0.542 205 I N 1.461 122.063 120.570 0.053 0.000 2.657 205 I HA -0.214 3.955 4.170 -0.001 0.000 0.261 205 I C 1.823 177.955 176.117 0.025 0.000 1.212 205 I CA 1.517 62.838 61.300 0.035 0.000 1.453 205 I CB 0.210 38.236 38.000 0.043 0.000 1.092 205 I HN 0.306 nan 8.210 nan 0.000 0.452 206 A N -0.427 122.416 122.820 0.039 0.000 2.095 206 A HA -0.071 4.248 4.320 -0.001 0.000 0.212 206 A C 1.750 179.349 177.584 0.024 0.000 1.162 206 A CA 0.804 52.860 52.037 0.031 0.000 0.753 206 A CB -0.330 18.697 19.000 0.045 0.000 0.840 206 A HN 0.380 nan 8.150 nan 0.000 0.468 207 D N 0.957 121.380 120.400 0.039 0.000 2.149 207 D HA -0.089 4.550 4.640 -0.001 0.000 0.194 207 D C 1.333 177.623 176.300 -0.016 0.000 1.001 207 D CA 1.551 55.577 54.000 0.043 0.000 0.849 207 D CB -0.515 40.351 40.800 0.110 0.000 0.939 207 D HN 0.441 nan 8.370 nan 0.000 0.449 211 S N 0.501 116.196 115.700 -0.008 0.000 2.558 211 S HA 0.449 4.919 4.470 -0.001 0.000 0.288 211 S C 1.350 175.948 174.600 -0.004 0.000 1.318 211 S CA 0.927 59.126 58.200 -0.002 0.000 1.056 211 S CB 0.801 64.002 63.200 0.000 0.000 0.853 211 S HN 2.802 nan 8.310 nan 0.000 0.505 212 G N 1.942 110.743 108.800 0.002 0.000 2.179 212 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.260 212 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.260 212 G C 0.244 175.146 174.900 0.004 0.000 0.977 212 G CA 0.154 45.257 45.100 0.004 0.000 0.641 212 G HN 1.074 nan 8.290 nan 0.000 0.533 213 S N 0.151 115.849 115.700 -0.003 0.000 2.572 213 S HA 0.473 4.943 4.470 -0.001 0.000 0.279 213 S C 0.371 174.979 174.600 0.013 0.000 1.341 213 S CA -0.207 57.988 58.200 -0.009 0.000 1.043 213 S CB 1.503 64.686 63.200 -0.029 0.000 0.887 213 S HN 0.981 nan 8.310 nan 0.000 0.516 214 L N 3.844 125.083 121.223 0.026 0.000 2.367 214 L HA 0.552 4.892 4.340 -0.001 0.000 0.275 214 L C -0.784 176.125 176.870 0.065 0.000 1.129 214 L CA 0.047 54.926 54.840 0.065 0.000 0.839 214 L CB 0.378 42.504 42.059 0.111 0.000 1.133 214 L HN 0.554 nan 8.230 nan 0.000 0.453 215 L N 5.883 127.146 121.223 0.067 0.000 2.406 215 L HA 0.586 4.926 4.340 -0.001 0.000 0.272 215 L C -1.668 175.252 176.870 0.083 0.000 0.980 215 L CA -0.324 54.558 54.840 0.071 0.000 0.831 215 L CB 1.672 43.763 42.059 0.054 0.000 1.253 215 L HN 0.543 nan 8.230 nan 0.000 0.406 216 L N 5.352 126.647 121.223 0.120 0.000 2.282 216 L HA 0.907 5.247 4.340 -0.001 0.000 0.288 216 L C 0.060 177.097 176.870 0.278 0.000 1.033 216 L CA 0.117 55.068 54.840 0.184 0.000 0.807 216 L CB 1.534 43.696 42.059 0.171 0.000 1.209 216 L HN 0.835 nan 8.230 nan 0.000 0.423 217 A N 5.395 128.333 122.820 0.195 0.000 2.435 217 A HA 0.950 5.269 4.320 -0.001 0.000 0.304 217 A C -2.752 174.533 177.584 -0.499 0.000 1.064 217 A CA -1.599 50.459 52.037 0.034 0.000 0.727 217 A CB 1.594 20.586 19.000 -0.013 0.000 1.284 217 A HN 0.407 nan 8.150 nan 0.000 0.415 218 P HA 0.223 nan 4.420 nan 0.000 0.272 218 P C 0.751 177.686 177.300 -0.608 0.000 1.230 218 P CA 0.409 62.748 63.100 -1.268 0.000 0.788 218 P CB 1.153 32.482 31.700 -0.618 0.000 0.949 219 A N 1.352 123.862 122.820 -0.517 0.000 2.019 219 A HA -0.130 4.190 4.320 -0.001 0.000 0.219 219 A C 1.086 178.569 177.584 -0.168 0.000 1.164 219 A CA 0.970 52.853 52.037 -0.257 0.000 0.644 219 A CB -1.203 17.691 19.000 -0.176 0.000 0.805 219 A HN 0.597 nan 8.150 nan 0.000 0.449 220 D N -0.089 120.214 120.400 -0.162 0.000 2.658 220 D HA -0.009 4.630 4.640 -0.001 0.000 0.230 220 D C -1.641 174.613 176.300 -0.076 0.000 1.118 220 D CA -0.953 52.990 54.000 -0.094 0.000 0.848 220 D CB 0.747 41.500 40.800 -0.078 0.000 1.160 220 D HN 0.070 nan 8.370 nan 0.000 0.497 221 P HA -0.066 nan 4.420 nan 0.000 0.223 221 P C 1.518 178.802 177.300 -0.026 0.000 1.151 221 P CA 0.112 63.185 63.100 -0.044 0.000 0.787 221 P CB 0.126 31.803 31.700 -0.038 0.000 0.788 222 I N 0.217 120.783 120.570 -0.007 0.000 2.502 222 I HA -0.185 3.984 4.170 -0.001 0.000 0.258 222 I C 1.692 177.871 176.117 0.104 0.000 1.172 222 I CA 1.432 62.755 61.300 0.039 0.000 1.430 222 I CB -0.498 37.522 38.000 0.032 0.000 1.086 222 I HN -0.111 nan 8.210 nan 0.000 0.440 223 V N -3.389 116.566 119.914 0.068 0.000 3.650 223 V HA 0.119 4.239 4.120 -0.001 0.000 0.271 223 V C 1.991 178.109 176.094 0.040 0.000 1.281 223 V CA 0.336 62.719 62.300 0.140 0.000 1.120 223 V CB -0.420 31.448 31.823 0.076 0.000 0.856 223 V HN 0.231 nan 8.190 nan 0.000 0.443 224 E N 1.595 121.765 120.200 -0.050 0.000 2.086 224 E HA -0.269 4.080 4.350 -0.001 0.000 0.200 224 E C 1.677 178.169 176.600 -0.180 0.000 1.012 224 E CA 2.103 58.445 56.400 -0.097 0.000 0.812 224 E CB -0.420 29.224 29.700 -0.093 0.000 0.743 224 E HN 0.689 nan 8.360 nan 0.000 0.453 225 D N -0.631 119.546 120.400 -0.373 0.000 2.378 225 D HA -0.105 4.534 4.640 -0.001 0.000 0.222 225 D C 0.894 176.807 176.300 -0.646 0.000 0.980 225 D CA 0.673 54.341 54.000 -0.553 0.000 0.907 225 D CB -0.114 40.238 40.800 -0.746 0.000 0.899 225 D HN 0.351 nan 8.370 nan 0.000 0.527 226 Y N -0.204 120.098 120.300 0.003 0.000 2.481 226 Y HA 0.288 4.837 4.550 -0.001 0.000 0.247 226 Y C 0.909 176.816 175.900 0.012 0.000 1.151 226 Y CA -0.600 57.507 58.100 0.012 0.000 1.238 226 Y CB -0.076 38.395 38.460 0.018 0.000 1.179 226 Y HN -0.193 nan 8.280 nan 0.000 0.524 227 L N 4.189 125.455 121.223 0.072 0.000 2.514 227 L HA 0.038 4.377 4.340 -0.001 0.000 0.280 227 L C -1.581 175.321 176.870 0.052 0.000 1.223 227 L CA -1.385 53.486 54.840 0.051 0.000 0.864 227 L CB 0.144 42.208 42.059 0.008 0.000 1.118 227 L HN 0.021 nan 8.230 nan 0.000 0.494 228 P HA 0.111 nan 4.420 nan 0.000 0.274 228 P C 0.583 177.901 177.300 0.029 0.000 1.256 228 P CA -0.439 62.689 63.100 0.047 0.000 0.795 228 P CB 1.295 33.022 31.700 0.044 0.000 1.038 229 I N -0.283 120.303 120.570 0.026 0.000 3.172 229 I HA -0.031 4.138 4.170 -0.001 0.000 0.278 229 I C 1.233 177.359 176.117 0.014 0.000 1.174 229 I CA 1.081 62.390 61.300 0.016 0.000 1.445 229 I CB -1.088 36.920 38.000 0.015 0.000 1.175 229 I HN 0.560 nan 8.210 nan 0.000 0.447 230 D N -0.075 120.334 120.400 0.016 0.000 2.738 230 D HA 0.205 4.844 4.640 -0.001 0.000 0.246 230 D C 0.131 176.439 176.300 0.013 0.000 1.270 230 D CA -0.130 53.878 54.000 0.013 0.000 0.833 230 D CB 0.044 40.852 40.800 0.012 0.000 1.040 230 D HN 0.177 nan 8.370 nan 0.000 0.487 231 K N 0.002 120.411 120.400 0.016 0.000 2.350 231 K HA 0.390 4.709 4.320 -0.001 0.000 0.241 231 K C -0.491 176.121 176.600 0.019 0.000 0.994 231 K CA -0.829 55.468 56.287 0.017 0.000 0.839 231 K CB 2.111 34.624 32.500 0.021 0.000 1.244 231 K HN -0.133 nan 8.250 nan 0.000 0.443 232 K N 1.652 122.066 120.400 0.023 0.000 2.250 232 K HA 0.253 4.572 4.320 -0.001 0.000 0.285 232 K C -1.137 175.482 176.600 0.032 0.000 1.097 232 K CA -0.321 55.984 56.287 0.029 0.000 0.913 232 K CB 0.216 32.739 32.500 0.039 0.000 1.179 232 K HN 0.252 nan 8.250 nan 0.000 0.462 233 V N 5.145 125.072 119.914 0.021 0.000 2.394 233 V HA 0.286 4.405 4.120 -0.001 0.000 0.282 233 V C -0.362 175.730 176.094 -0.003 0.000 1.031 233 V CA -0.853 61.456 62.300 0.015 0.000 0.881 233 V CB 1.566 33.394 31.823 0.008 0.000 0.982 233 V HN 0.428 nan 8.190 nan 0.000 0.451 234 V N 6.028 125.934 119.914 -0.015 0.000 2.448 234 V HA 0.572 4.691 4.120 -0.001 0.000 0.295 234 V C -0.061 176.010 176.094 -0.038 0.000 1.025 234 V CA -0.923 61.338 62.300 -0.066 0.000 0.859 234 V CB 1.901 33.602 31.823 -0.203 0.000 0.988 234 V HN 0.745 nan 8.190 nan 0.000 0.431 235 R N 3.938 124.402 120.500 -0.060 0.000 2.428 235 R HA 0.620 4.959 4.340 -0.001 0.000 0.294 235 R C -0.729 175.547 176.300 -0.040 0.000 1.000 235 R CA -0.317 55.715 56.100 -0.112 0.000 0.960 235 R CB 1.368 31.591 30.300 -0.127 0.000 1.076 235 R HN 0.680 nan 8.270 nan 0.000 0.475 236 F N -1.685 118.235 119.950 -0.050 0.000 2.577 236 F HA 0.857 5.383 4.527 -0.001 0.000 0.318 236 F C 0.258 176.051 175.800 -0.012 0.000 1.065 236 F CA -0.911 57.071 58.000 -0.030 0.000 0.929 236 F CB 2.081 41.064 39.000 -0.028 0.000 1.237 236 F HN 0.762 nan 8.300 nan 0.000 0.468 237 G N 1.193 110.105 108.800 0.186 0.000 2.353 237 G HA2 0.092 4.051 3.960 -0.001 0.000 0.424 237 G HA3 0.092 4.051 3.960 -0.001 0.000 0.424 237 G C -1.855 173.076 174.900 0.052 0.000 1.320 237 G CA -1.020 44.136 45.100 0.093 0.000 0.995 237 G HN 1.063 nan 8.290 nan 0.000 0.580 238 Q N 0.206 120.025 119.800 0.031 0.000 2.274 238 Q HA 0.399 4.739 4.340 -0.001 0.000 0.280 238 Q C 1.520 177.527 176.000 0.011 0.000 1.047 238 Q CA 1.896 57.713 55.803 0.024 0.000 0.907 238 Q CB 0.015 28.762 28.738 0.015 0.000 1.171 238 Q HN 2.528 nan 8.270 nan 0.000 0.381 239 G N 2.231 111.043 108.800 0.019 0.000 2.268 239 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.240 239 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.240 239 G C 0.209 175.116 174.900 0.010 0.000 1.010 239 G CA 0.019 45.125 45.100 0.011 0.000 0.618 239 G HN 0.987 nan 8.290 nan 0.000 0.516 240 A N 0.108 122.934 122.820 0.010 0.000 2.259 240 A HA 0.744 5.063 4.320 -0.001 0.000 0.278 240 A C 1.238 178.842 177.584 0.033 0.000 1.107 240 A CA 1.106 53.145 52.037 0.003 0.000 0.828 240 A CB 0.324 19.308 19.000 -0.027 0.000 1.111 240 A HN 0.448 nan 8.150 nan 0.000 0.498 241 E N -0.953 119.259 120.200 0.020 0.000 2.114 241 E HA -0.165 4.184 4.350 -0.001 0.000 0.199 241 E C -0.233 176.416 176.600 0.082 0.000 1.008 241 E CA 1.024 57.444 56.400 0.033 0.000 0.810 241 E CB -0.152 29.541 29.700 -0.012 0.000 0.739 241 E HN 0.537 nan 8.360 nan 0.000 0.456 242 L N 0.924 122.204 121.223 0.095 0.000 2.322 242 L HA 0.428 4.767 4.340 -0.001 0.000 0.281 242 L C -0.402 176.598 176.870 0.218 0.000 1.014 242 L CA -0.579 54.394 54.840 0.221 0.000 0.815 242 L CB 1.642 43.803 42.059 0.171 0.000 1.247 242 L HN 0.095 nan 8.230 nan 0.000 0.421 243 E N 2.985 123.316 120.200 0.218 0.000 2.390 243 E HA 0.465 4.815 4.350 -0.001 0.000 0.280 243 E C -1.508 175.155 176.600 0.104 0.000 0.992 243 E CA -0.897 55.587 56.400 0.141 0.000 0.790 243 E CB 2.010 31.769 29.700 0.099 0.000 1.248 243 E HN 0.448 nan 8.360 nan 0.000 0.447 244 I N 2.721 123.329 120.570 0.063 0.000 2.337 244 I HA 0.107 4.276 4.170 -0.001 0.000 0.291 244 I C 1.256 177.408 176.117 0.058 0.000 1.046 244 I CA -0.115 61.218 61.300 0.055 0.000 1.324 244 I CB 1.298 39.280 38.000 -0.030 0.000 1.409 244 I HN 0.819 nan 8.210 nan 0.000 0.494 245 T N 0.176 114.770 114.554 0.066 0.000 3.051 245 T HA 0.138 4.487 4.350 -0.001 0.000 0.255 245 T C 0.410 175.133 174.700 0.038 0.000 1.085 245 T CA 0.161 62.287 62.100 0.043 0.000 1.109 245 T CB 0.282 69.168 68.868 0.032 0.000 0.921 245 T HN 0.457 nan 8.240 nan 0.000 0.488 246 D N -0.149 120.284 120.400 0.056 0.000 2.837 246 D HA 0.599 5.238 4.640 -0.001 0.000 0.220 246 D C -1.997 174.348 176.300 0.075 0.000 1.236 246 D CA -0.580 53.447 54.000 0.044 0.000 0.838 246 D CB 2.685 43.496 40.800 0.018 0.000 1.647 246 D HN 0.204 nan 8.370 nan 0.000 0.486 247 L N 2.402 123.656 121.223 0.050 0.000 2.472 247 L HA 0.699 5.038 4.340 -0.001 0.000 0.260 247 L C -1.942 174.945 176.870 0.028 0.000 0.963 247 L CA -0.495 54.380 54.840 0.059 0.000 0.829 247 L CB 2.065 44.146 42.059 0.035 0.000 1.348 247 L HN 0.211 nan 8.230 nan 0.000 0.408 248 V N 3.510 123.440 119.914 0.026 0.000 2.686 248 V HA 0.568 4.687 4.120 -0.001 0.000 0.306 248 V C -1.014 175.081 176.094 0.003 0.000 1.065 248 V CA -0.556 61.748 62.300 0.008 0.000 0.894 248 V CB 2.197 34.019 31.823 -0.001 0.000 1.004 248 V HN 0.797 nan 8.190 nan 0.000 0.424 249 E N 4.554 124.752 120.200 -0.003 0.000 2.191 249 E HA 0.556 4.905 4.350 -0.001 0.000 0.263 249 E C -0.725 175.872 176.600 -0.005 0.000 0.881 249 E CA -0.917 55.478 56.400 -0.008 0.000 0.757 249 E CB 2.284 31.977 29.700 -0.012 0.000 1.147 249 E HN 0.455 nan 8.360 nan 0.000 0.414 250 R N 1.772 122.269 120.500 -0.006 0.000 2.562 250 R HA 0.313 4.652 4.340 -0.001 0.000 0.217 250 R C 1.210 177.509 176.300 -0.001 0.000 1.234 250 R CA -0.451 55.647 56.100 -0.003 0.000 1.027 250 R CB -0.014 30.284 30.300 -0.004 0.000 1.525 250 R HN 0.392 nan 8.270 nan 0.000 0.527 251 K N 0.431 120.832 120.400 0.001 0.000 2.076 251 K HA -0.060 4.260 4.320 -0.001 0.000 0.204 251 K C 0.146 176.749 176.600 0.005 0.000 1.051 251 K CA 1.508 57.798 56.287 0.004 0.000 0.949 251 K CB 0.092 32.595 32.500 0.005 0.000 0.726 251 K HN 0.378 nan 8.250 nan 0.000 0.443 252 D N -0.460 119.942 120.400 0.003 0.000 2.636 252 D HA 0.170 4.810 4.640 -0.001 0.000 0.270 252 D C -1.057 175.243 176.300 -0.000 0.000 1.430 252 D CA -0.008 53.995 54.000 0.004 0.000 0.796 252 D CB 1.011 41.816 40.800 0.008 0.000 1.117 252 D HN -0.109 nan 8.370 nan 0.000 0.480 253 S N -0.140 115.557 115.700 -0.005 0.000 2.697 253 S HA 0.762 5.231 4.470 -0.001 0.000 0.289 253 S C -1.426 173.165 174.600 -0.016 0.000 1.149 253 S CA -0.774 57.421 58.200 -0.008 0.000 0.850 253 S CB 2.266 65.463 63.200 -0.005 0.000 1.151 253 S HN 0.154 nan 8.310 nan 0.000 0.491 254 L N 0.895 122.107 121.223 -0.017 0.000 2.549 254 L HA 0.665 5.004 4.340 -0.001 0.000 0.259 254 L C -1.865 175.002 176.870 -0.005 0.000 0.934 254 L CA -0.067 54.765 54.840 -0.012 0.000 0.865 254 L CB 2.116 44.158 42.059 -0.028 0.000 1.352 254 L HN 0.704 nan 8.230 nan 0.000 0.410 255 T N 4.787 119.343 114.554 0.004 0.000 2.879 255 T HA 0.677 5.026 4.350 -0.001 0.000 0.290 255 T C -1.044 173.670 174.700 0.023 0.000 0.993 255 T CA -0.295 61.783 62.100 -0.036 0.000 0.975 255 T CB 1.068 69.903 68.868 -0.056 0.000 0.981 255 T HN 0.482 nan 8.240 nan 0.000 0.439 256 F N 0.704 120.580 119.950 -0.124 0.000 2.643 256 F HA 0.934 5.460 4.527 -0.001 0.000 0.314 256 F C -1.310 174.414 175.800 -0.128 0.000 1.096 256 F CA -1.407 56.521 58.000 -0.120 0.000 0.953 256 F CB 1.657 40.574 39.000 -0.139 0.000 1.345 256 F HN 0.297 nan 8.300 nan 0.000 0.468 257 K N 2.260 122.658 120.400 -0.003 0.000 2.376 257 K HA 0.811 5.131 4.320 -0.001 0.000 0.257 257 K C -1.557 175.096 176.600 0.089 0.000 0.939 257 K CA -0.600 55.614 56.287 -0.123 0.000 0.809 257 K CB 1.684 34.136 32.500 -0.080 0.000 1.121 257 K HN 1.052 nan 8.250 nan 0.000 0.425 258 A N 3.777 126.567 122.820 -0.049 0.000 2.304 258 A HA 0.272 4.591 4.320 -0.001 0.000 0.323 258 A C 0.690 178.155 177.584 -0.198 0.000 1.195 258 A CA -0.422 51.566 52.037 -0.082 0.000 0.826 258 A CB 0.098 18.926 19.000 -0.287 0.000 1.184 258 A HN 1.053 nan 8.150 nan 0.000 0.496 259 N N 1.534 120.205 118.700 -0.050 0.000 2.091 259 N HA -0.309 4.431 4.740 -0.001 0.000 0.193 259 N C 1.210 176.748 175.510 0.046 0.000 1.021 259 N CA 2.163 55.225 53.050 0.020 0.000 0.862 259 N CB -0.637 37.910 38.487 0.099 0.000 1.018 259 N HN 0.791 nan 8.380 nan 0.000 0.429 260 F N 0.236 120.252 119.950 0.112 0.000 2.748 260 F HA 0.384 4.910 4.527 -0.001 0.000 0.299 260 F C 0.266 176.123 175.800 0.096 0.000 1.154 260 F CA -0.350 57.722 58.000 0.121 0.000 1.446 260 F CB -0.158 38.958 39.000 0.194 0.000 1.112 260 F HN -0.089 nan 8.300 nan 0.000 0.584 261 L N 2.106 123.130 121.223 -0.332 0.000 2.309 261 L HA 0.265 4.604 4.340 -0.001 0.000 0.282 261 L C 1.324 178.127 176.870 -0.112 0.000 1.036 261 L CA -0.515 54.200 54.840 -0.208 0.000 0.806 261 L CB 1.853 43.695 42.059 -0.360 0.000 1.220 261 L HN 0.218 nan 8.230 nan 0.000 0.429 262 E N 1.109 121.280 120.200 -0.049 0.000 2.299 262 E HA -0.082 4.268 4.350 -0.001 0.000 0.193 262 E C 0.332 176.893 176.600 -0.065 0.000 0.998 262 E CA 0.232 56.608 56.400 -0.039 0.000 0.851 262 E CB 0.421 30.115 29.700 -0.010 0.000 0.795 262 E HN 0.485 nan 8.360 nan 0.000 0.492 263 Q N 0.644 120.391 119.800 -0.089 0.000 2.252 263 Q HA 0.581 4.920 4.340 -0.001 0.000 0.256 263 Q C -0.860 175.035 176.000 -0.176 0.000 1.020 263 Q CA -0.413 55.327 55.803 -0.105 0.000 0.913 263 Q CB 1.741 30.430 28.738 -0.083 0.000 1.286 263 Q HN 0.234 nan 8.270 nan 0.000 0.480 264 A N 0.894 123.600 122.820 -0.190 0.000 2.257 264 A HA 0.758 5.078 4.320 -0.001 0.000 0.290 264 A C -1.040 176.318 177.584 -0.376 0.000 1.201 264 A CA -0.338 51.522 52.037 -0.295 0.000 0.863 264 A CB 0.417 19.284 19.000 -0.221 0.000 1.256 264 A HN 0.618 nan 8.150 nan 0.000 0.506 265 L N -0.666 120.213 121.223 -0.573 0.000 2.434 265 L HA 0.431 4.770 4.340 -0.001 0.000 0.260 265 L C -1.645 174.970 176.870 -0.424 0.000 0.983 265 L CA -0.598 53.907 54.840 -0.558 0.000 0.820 265 L CB 2.565 44.079 42.059 -0.908 0.000 1.361 265 L HN 0.745 nan 8.230 nan 0.000 0.410 266 D N 1.710 121.974 120.400 -0.227 0.000 2.498 266 D HA 0.734 5.373 4.640 -0.001 0.000 0.247 266 D C -1.367 174.891 176.300 -0.070 0.000 1.070 266 D CA -0.214 53.714 54.000 -0.120 0.000 0.842 266 D CB 2.295 43.059 40.800 -0.059 0.000 1.361 266 D HN 0.020 nan 8.370 nan 0.000 0.484 267 L N 3.246 124.439 121.223 -0.049 0.000 2.401 267 L HA 0.445 4.784 4.340 -0.001 0.000 0.266 267 L C -2.102 174.768 176.870 -0.000 0.000 0.991 267 L CA -1.806 53.026 54.840 -0.014 0.000 0.818 267 L CB 2.176 44.196 42.059 -0.064 0.000 1.321 267 L HN 0.289 nan 8.230 nan 0.000 0.413 268 P HA 0.104 nan 4.420 nan 0.000 0.249 268 P C -0.580 176.721 177.300 0.002 0.000 1.593 268 P CA 0.239 63.347 63.100 0.013 0.000 0.896 268 P CB 0.192 31.907 31.700 0.025 0.000 1.581 269 V N -3.740 116.164 119.914 -0.016 0.000 3.159 269 V HA 0.798 4.918 4.120 -0.001 0.000 0.308 269 V C -0.680 175.378 176.094 -0.060 0.000 1.190 269 V CA -0.978 61.303 62.300 -0.031 0.000 1.037 269 V CB 1.759 33.558 31.823 -0.040 0.000 1.060 269 V HN 0.095 nan 8.190 nan 0.000 0.437 270 T N -1.041 113.474 114.554 -0.065 0.000 2.792 270 T HA 0.919 5.268 4.350 -0.001 0.000 0.280 270 T C -0.015 174.587 174.700 -0.164 0.000 0.990 270 T CA -0.078 61.972 62.100 -0.083 0.000 0.960 270 T CB 0.748 69.600 68.868 -0.026 0.000 0.939 270 T HN 2.424 nan 8.240 nan 0.000 0.439 271 G N 2.111 110.752 108.800 -0.264 0.000 2.270 271 G HA2 0.333 4.292 3.960 -0.001 0.000 0.295 271 G HA3 0.333 4.292 3.960 -0.001 0.000 0.295 271 G C 0.008 174.628 174.900 -0.466 0.000 1.732 271 G CA -0.382 44.430 45.100 -0.480 0.000 0.909 271 G HN 0.761 nan 8.290 nan 0.000 0.730 272 K N 1.313 121.598 120.400 -0.193 0.000 2.097 272 K HA -0.129 4.190 4.320 -0.001 0.000 0.206 272 K C 2.019 178.527 176.600 -0.154 0.000 1.049 272 K CA 2.888 59.103 56.287 -0.120 0.000 0.933 272 K CB -0.505 32.004 32.500 0.015 0.000 0.717 272 K HN 0.831 nan 8.250 nan 0.000 0.442 273 Y N -1.246 119.013 120.300 -0.069 0.000 2.314 273 Y HA 0.140 4.690 4.550 -0.001 0.000 0.293 273 Y C 1.363 177.207 175.900 -0.095 0.000 1.129 273 Y CA 1.160 59.222 58.100 -0.063 0.000 1.201 273 Y CB -0.898 37.548 38.460 -0.024 0.000 0.999 273 Y HN 0.045 nan 8.280 nan 0.000 0.541 274 N N 1.096 119.301 118.700 -0.825 0.000 2.188 274 N HA -0.086 4.653 4.740 -0.001 0.000 0.184 274 N C 2.042 177.326 175.510 -0.375 0.000 1.018 274 N CA 1.377 54.137 53.050 -0.484 0.000 0.858 274 N CB -0.320 37.854 38.487 -0.521 0.000 0.989 274 N HN 0.526 nan 8.380 nan 0.000 0.426 275 A N 0.288 122.822 122.820 -0.478 0.000 1.877 275 A HA -0.146 4.173 4.320 -0.001 0.000 0.216 275 A C 2.262 179.384 177.584 -0.770 0.000 1.186 275 A CA 1.867 53.446 52.037 -0.763 0.000 0.620 275 A CB -1.124 17.404 19.000 -0.787 0.000 0.822 275 A HN 0.232 nan 8.150 nan 0.000 0.443 276 T N 0.421 114.706 114.554 -0.448 0.000 2.708 276 T HA -0.156 4.193 4.350 -0.001 0.000 0.266 276 T C 1.766 176.303 174.700 -0.272 0.000 1.037 276 T CA 1.661 63.579 62.100 -0.304 0.000 1.146 276 T CB -0.582 68.216 68.868 -0.116 0.000 0.865 276 T HN 0.670 nan 8.240 nan 0.000 0.435 277 N N 1.144 119.731 118.700 -0.188 0.000 2.043 277 N HA -0.005 4.734 4.740 -0.001 0.000 0.193 277 N C 1.162 176.641 175.510 -0.051 0.000 1.037 277 N CA 0.521 53.506 53.050 -0.108 0.000 0.851 277 N CB -0.202 38.272 38.487 -0.021 0.000 1.027 277 N HN 0.376 nan 8.380 nan 0.000 0.422 281 A N 1.811 124.706 122.820 0.126 0.000 1.930 281 A HA -0.011 4.308 4.320 -0.001 0.000 0.217 281 A C 2.300 180.016 177.584 0.219 0.000 1.175 281 A CA 2.487 54.618 52.037 0.157 0.000 0.627 281 A CB -0.729 18.378 19.000 0.178 0.000 0.815 281 A HN 0.543 nan 8.150 nan 0.000 0.443 282 S N -1.557 114.350 115.700 0.346 0.000 2.356 282 S HA -0.183 4.287 4.470 -0.001 0.000 0.223 282 S C 1.820 176.626 174.600 0.344 0.000 1.032 282 S CA 1.498 59.932 58.200 0.389 0.000 1.005 282 S CB -0.610 62.895 63.200 0.508 0.000 0.867 282 S HN 0.678 nan 8.310 nan 0.000 0.449 283 Y N 2.330 122.774 120.300 0.241 0.000 2.114 283 Y HA -0.221 4.329 4.550 -0.001 0.000 0.282 283 Y C 2.276 178.163 175.900 -0.021 0.000 1.165 283 Y CA 1.445 59.500 58.100 -0.075 0.000 1.148 283 Y CB -0.520 37.751 38.460 -0.315 0.000 0.972 283 Y HN 0.030 nan 8.280 nan 0.000 0.504 284 V N 0.067 120.083 119.914 0.170 0.000 2.427 284 V HA -0.304 3.816 4.120 -0.001 0.000 0.248 284 V C 2.604 178.704 176.094 0.010 0.000 1.051 284 V CA 1.629 63.994 62.300 0.108 0.000 1.048 284 V CB -1.469 30.455 31.823 0.169 0.000 0.666 284 V HN 0.569 nan 8.190 nan 0.000 0.456 285 A N -0.160 122.666 122.820 0.009 0.000 1.902 285 A HA -0.152 4.168 4.320 -0.001 0.000 0.217 285 A C 2.220 179.799 177.584 -0.008 0.000 1.181 285 A CA 1.709 53.734 52.037 -0.019 0.000 0.623 285 A CB -0.504 18.494 19.000 -0.004 0.000 0.818 285 A HN 0.493 nan 8.150 nan 0.000 0.443 286 L N -0.564 120.647 121.223 -0.021 0.000 1.989 286 L HA -0.243 4.097 4.340 -0.001 0.000 0.211 286 L C 2.756 179.568 176.870 -0.096 0.000 1.071 286 L CA 1.369 56.177 54.840 -0.053 0.000 0.749 286 L CB -0.657 41.353 42.059 -0.082 0.000 0.890 286 L HN 0.414 nan 8.230 nan 0.000 0.431 287 Q N -0.095 119.600 119.800 -0.175 0.000 2.368 287 Q HA -0.171 4.168 4.340 -0.001 0.000 0.210 287 Q C 1.483 177.476 176.000 -0.011 0.000 0.982 287 Q CA 1.015 56.742 55.803 -0.126 0.000 0.884 287 Q CB -0.209 28.450 28.738 -0.132 0.000 0.933 287 Q HN 0.530 nan 8.270 nan 0.000 0.460 288 E N -0.760 119.456 120.200 0.027 0.000 2.463 288 E HA 0.157 4.507 4.350 -0.001 0.000 0.193 288 E C 0.783 177.484 176.600 0.168 0.000 1.041 288 E CA 0.413 56.867 56.400 0.091 0.000 0.879 288 E CB 0.713 30.450 29.700 0.061 0.000 0.997 288 E HN 0.464 nan 8.360 nan 0.000 0.478 289 G N 0.642 109.496 108.800 0.091 0.000 2.159 289 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.227 289 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.227 289 G C 0.334 175.250 174.900 0.027 0.000 0.986 289 G CA 0.169 45.314 45.100 0.075 0.000 0.651 289 G HN 0.146 nan 8.290 nan 0.000 0.523 290 V N 2.132 122.063 119.914 0.027 0.000 2.546 290 V HA 0.632 4.751 4.120 -0.001 0.000 0.284 290 V C 1.179 177.267 176.094 -0.009 0.000 1.050 290 V CA 0.113 62.404 62.300 -0.015 0.000 0.981 290 V CB 1.559 33.372 31.823 -0.017 0.000 0.990 290 V HN 0.919 nan 8.190 nan 0.000 0.474 291 S N 2.551 118.238 115.700 -0.021 0.000 2.617 291 S HA 0.222 4.691 4.470 -0.001 0.000 0.269 291 S C 0.957 175.563 174.600 0.011 0.000 1.292 291 S CA -0.219 57.978 58.200 -0.005 0.000 1.010 291 S CB 1.142 64.333 63.200 -0.015 0.000 0.944 291 S HN 0.828 nan 8.310 nan 0.000 0.536 292 E N 0.458 120.674 120.200 0.026 0.000 2.204 292 E HA -0.204 4.146 4.350 -0.001 0.000 0.195 292 E C 1.766 178.379 176.600 0.021 0.000 0.990 292 E CA 1.225 57.648 56.400 0.039 0.000 0.821 292 E CB -0.052 29.668 29.700 0.033 0.000 0.750 292 E HN 0.874 nan 8.360 nan 0.000 0.477 293 E N 0.192 120.396 120.200 0.005 0.000 2.028 293 E HA -0.218 4.131 4.350 -0.001 0.000 0.190 293 E C 2.143 178.739 176.600 -0.006 0.000 0.984 293 E CA 1.026 57.425 56.400 -0.001 0.000 0.800 293 E CB 0.060 29.755 29.700 -0.008 0.000 0.758 293 E HN 0.293 nan 8.360 nan 0.000 0.448 294 Q N 0.296 120.083 119.800 -0.022 0.000 2.077 294 Q HA -0.209 4.130 4.340 -0.001 0.000 0.206 294 Q C 2.322 178.286 176.000 -0.061 0.000 0.989 294 Q CA 1.856 57.631 55.803 -0.047 0.000 0.853 294 Q CB -0.195 28.503 28.738 -0.068 0.000 0.907 294 Q HN 0.413 nan 8.270 nan 0.000 0.418 295 I N 0.030 120.579 120.570 -0.037 0.000 2.179 295 I HA -0.298 3.872 4.170 -0.001 0.000 0.242 295 I C 2.607 178.756 176.117 0.054 0.000 1.088 295 I CA 1.149 62.429 61.300 -0.033 0.000 1.357 295 I CB -0.265 37.781 38.000 0.076 0.000 1.051 295 I HN 0.143 nan 8.210 nan 0.000 0.409 296 R N 1.032 121.584 120.500 0.088 0.000 2.091 296 R HA -0.161 4.179 4.340 -0.001 0.000 0.238 296 R C 2.305 178.656 176.300 0.085 0.000 1.136 296 R CA 1.426 57.590 56.100 0.108 0.000 0.959 296 R CB -0.155 30.166 30.300 0.035 0.000 0.856 296 R HN 0.325 nan 8.270 nan 0.000 0.437 297 L N -0.393 120.852 121.223 0.036 0.000 2.056 297 L HA -0.092 4.248 4.340 -0.001 0.000 0.207 297 L C 2.658 179.541 176.870 0.021 0.000 1.078 297 L CA 1.170 56.038 54.840 0.047 0.000 0.749 297 L CB -0.622 41.461 42.059 0.040 0.000 0.901 297 L HN 0.307 nan 8.230 nan 0.000 0.433 298 A N 0.110 122.871 122.820 -0.100 0.000 1.883 298 A HA -0.221 4.099 4.320 -0.001 0.000 0.217 298 A C 1.955 179.375 177.584 -0.274 0.000 1.186 298 A CA 1.511 53.359 52.037 -0.315 0.000 0.624 298 A CB -0.862 17.860 19.000 -0.463 0.000 0.822 298 A HN 0.315 nan 8.150 nan 0.000 0.444 299 F N 0.117 120.033 119.950 -0.056 0.000 2.494 299 F HA -0.101 4.426 4.527 -0.001 0.000 0.298 299 F C 2.407 178.166 175.800 -0.068 0.000 1.106 299 F CA 1.274 59.248 58.000 -0.043 0.000 1.452 299 F CB -0.434 38.558 39.000 -0.014 0.000 1.085 299 F HN 0.362 nan 8.300 nan 0.000 0.569 300 Q N -0.571 119.282 119.800 0.087 0.000 2.167 300 Q HA -0.166 4.174 4.340 -0.001 0.000 0.202 300 Q C 0.179 176.253 176.000 0.123 0.000 0.970 300 Q CA 1.381 57.247 55.803 0.106 0.000 0.855 300 Q CB -0.034 28.790 28.738 0.144 0.000 0.911 300 Q HN 0.652 nan 8.270 nan 0.000 0.438 301 H N -2.429 116.703 119.070 0.105 0.000 2.439 301 H HA 0.196 4.751 4.556 -0.001 0.000 0.230 301 H C 0.269 175.599 175.328 0.002 0.000 1.420 301 H CA -0.682 55.403 56.048 0.062 0.000 1.305 301 H CB 0.066 29.868 29.762 0.066 0.000 1.667 301 H HN 0.021 nan 8.280 nan 0.000 0.515 302 L N 1.387 122.515 121.223 -0.159 0.000 1.900 302 L HA 0.191 4.531 4.340 -0.001 0.000 0.230 302 L C 0.592 177.247 176.870 -0.359 0.000 1.089 302 L CA 2.607 57.234 54.840 -0.355 0.000 0.807 302 L CB -0.926 41.077 42.059 -0.092 0.000 0.895 302 L HN 0.982 nan 8.230 nan 0.000 0.430 303 E N -2.839 117.269 120.200 -0.154 0.000 6.570 303 E HA 0.447 4.797 4.350 -0.001 0.000 0.284 303 E C -0.737 175.825 176.600 -0.063 0.000 0.956 303 E CA 0.264 56.607 56.400 -0.095 0.000 1.375 303 E CB -2.208 27.417 29.700 -0.125 0.000 0.943 303 E HN 1.259 nan 8.360 nan 0.000 0.491 304 L N 1.133 122.342 121.223 -0.023 0.000 2.452 304 L HA 0.951 5.291 4.340 -0.001 0.000 0.267 304 L C 1.403 178.270 176.870 -0.005 0.000 1.188 304 L CA 0.281 55.119 54.840 -0.003 0.000 0.821 304 L CB 0.981 43.049 42.059 0.014 0.000 1.102 304 L HN 1.863 nan 8.230 nan 0.000 0.470 305 T N -0.484 114.075 114.554 0.009 0.000 3.053 305 T HA 0.574 4.923 4.350 -0.001 0.000 0.363 305 T C 0.500 175.220 174.700 0.033 0.000 1.239 305 T CA 0.226 62.327 62.100 0.001 0.000 1.071 305 T CB 0.026 68.891 68.868 -0.004 0.000 1.089 305 T HN 2.155 nan 8.240 nan 0.000 0.527 306 R N 3.645 124.173 120.500 0.047 0.000 4.508 306 R HA -0.212 4.128 4.340 -0.001 0.000 0.117 306 R C 1.304 177.709 176.300 0.175 0.000 0.253 306 R CA 1.329 57.512 56.100 0.138 0.000 0.827 306 R CB -2.489 27.951 30.300 0.233 0.000 1.086 306 R HN 0.926 nan 8.270 nan 0.000 0.271 307 N N -0.257 118.512 118.700 0.116 0.000 3.184 307 N HA -0.368 4.371 4.740 -0.001 0.000 0.180 307 N C 0.958 176.522 175.510 0.090 0.000 0.185 307 N CA 4.756 57.861 53.050 0.092 0.000 2.294 307 N CB -1.188 37.342 38.487 0.072 0.000 1.188 307 N HN 2.359 nan 8.380 nan 0.000 0.409 308 R N -0.109 120.462 120.500 0.118 0.000 1.712 308 R HA 0.031 4.370 4.340 -0.001 0.000 0.399 308 R C 0.550 176.887 176.300 0.062 0.000 1.166 308 R CA 1.720 57.879 56.100 0.098 0.000 0.748 308 R CB -2.848 27.495 30.300 0.072 0.000 2.558 308 R HN 1.362 nan 8.270 nan 0.000 0.492 309 T N -0.156 114.431 114.554 0.054 0.000 2.517 309 T HA 0.265 4.614 4.350 -0.001 0.000 0.229 309 T C 0.366 175.049 174.700 -0.027 0.000 1.039 309 T CA 1.041 63.131 62.100 -0.016 0.000 1.186 309 T CB -0.210 68.642 68.868 -0.026 0.000 1.016 309 T HN 2.195 nan 8.240 nan 0.000 0.475 310 E N 1.822 121.980 120.200 -0.069 0.000 2.435 310 E HA 0.454 4.803 4.350 -0.001 0.000 0.277 310 E C -1.260 175.289 176.600 -0.085 0.000 1.106 310 E CA -1.495 54.889 56.400 -0.027 0.000 0.868 310 E CB 0.273 30.010 29.700 0.062 0.000 1.454 310 E HN 0.551 nan 8.360 nan 0.000 0.452 311 W N 0.795 122.137 121.300 0.071 0.000 2.129 311 W HA 0.520 5.179 4.660 -0.001 0.000 0.349 311 W C 0.575 177.119 176.519 0.040 0.000 1.279 311 W CA 0.157 57.550 57.345 0.081 0.000 1.306 311 W CB 0.719 30.263 29.460 0.141 0.000 1.140 311 W HN 0.427 nan 8.180 nan 0.000 0.613 312 K N 0.287 120.875 120.400 0.314 0.000 2.395 312 K HA 0.476 4.795 4.320 -0.001 0.000 0.272 312 K C -1.291 175.416 176.600 0.178 0.000 0.984 312 K CA -1.175 55.215 56.287 0.172 0.000 0.816 312 K CB 1.969 34.521 32.500 0.087 0.000 1.504 312 K HN 0.181 nan 8.250 nan 0.000 0.375 313 K N 0.304 120.767 120.400 0.104 0.000 2.542 313 K HA 0.546 4.865 4.320 -0.001 0.000 0.259 313 K C -1.572 175.056 176.600 0.046 0.000 0.932 313 K CA -0.798 55.540 56.287 0.084 0.000 0.820 313 K CB 2.340 34.877 32.500 0.062 0.000 1.345 313 K HN 0.668 nan 8.250 nan 0.000 0.432 314 A N 1.115 123.955 122.820 0.034 0.000 2.303 314 A HA 0.630 4.950 4.320 -0.001 0.000 0.317 314 A C 0.058 177.640 177.584 -0.003 0.000 1.149 314 A CA -0.472 51.571 52.037 0.010 0.000 0.822 314 A CB 0.781 19.782 19.000 0.001 0.000 1.131 314 A HN 0.778 nan 8.150 nan 0.000 0.493 315 A N 1.908 124.722 122.820 -0.009 0.000 2.701 315 A HA 0.308 4.627 4.320 -0.001 0.000 0.290 315 A C 0.701 178.269 177.584 -0.027 0.000 1.534 315 A CA 1.211 53.238 52.037 -0.016 0.000 1.137 315 A CB -1.008 17.982 19.000 -0.017 0.000 1.032 315 A HN 1.174 nan 8.150 nan 0.000 0.580 316 N N 0.010 118.690 118.700 -0.034 0.000 2.146 316 N HA 0.000 4.739 4.740 -0.001 0.000 0.302 316 N C 0.673 176.134 175.510 -0.082 0.000 1.273 316 N CA 1.414 54.431 53.050 -0.055 0.000 1.214 316 N CB -0.645 37.813 38.487 -0.047 0.000 1.768 316 N HN 1.414 nan 8.380 nan 0.000 0.835 317 G N 0.366 109.131 108.800 -0.057 0.000 2.136 317 G HA2 -0.006 3.954 3.960 -0.001 0.000 0.242 317 G HA3 -0.006 3.954 3.960 -0.001 0.000 0.242 317 G C 0.335 175.204 174.900 -0.052 0.000 0.989 317 G CA 0.765 45.824 45.100 -0.068 0.000 0.682 317 G HN 0.840 nan 8.290 nan 0.000 0.522 318 A N -0.507 122.305 122.820 -0.013 0.000 2.287 318 A HA 0.627 4.947 4.320 -0.001 0.000 0.273 318 A C 0.038 177.688 177.584 0.111 0.000 1.091 318 A CA 0.072 52.132 52.037 0.038 0.000 0.817 318 A CB 0.497 19.522 19.000 0.042 0.000 1.069 318 A HN 0.204 nan 8.150 nan 0.000 0.492 319 D N 1.194 121.710 120.400 0.194 0.000 2.505 319 D HA 0.362 5.001 4.640 -0.001 0.000 0.242 319 D C -0.480 176.168 176.300 0.580 0.000 1.136 319 D CA 0.276 54.502 54.000 0.376 0.000 0.954 319 D CB 0.274 41.219 40.800 0.241 0.000 1.002 319 D HN 0.379 nan 8.370 nan 0.000 0.512 320 I N 1.764 122.553 120.570 0.365 0.000 2.436 320 I HA 0.061 4.231 4.170 -0.001 0.000 0.289 320 I C -0.069 176.037 176.117 -0.019 0.000 1.083 320 I CA -0.541 60.855 61.300 0.160 0.000 1.372 320 I CB 0.776 38.813 38.000 0.062 0.000 1.408 320 I HN 0.109 nan 8.210 nan 0.000 0.516 321 L N 7.310 128.330 121.223 -0.338 0.000 2.426 321 L HA 0.303 4.643 4.340 -0.001 0.000 0.255 321 L C 0.027 176.604 176.870 -0.488 0.000 1.080 321 L CA 0.207 54.582 54.840 -0.775 0.000 0.960 321 L CB 0.887 42.150 42.059 -1.326 0.000 1.326 321 L HN 0.465 nan 8.230 nan 0.000 0.441 322 S N 2.869 118.377 115.700 -0.320 0.000 2.409 322 S HA 0.188 4.658 4.470 -0.001 0.000 0.308 322 S C -0.223 174.248 174.600 -0.214 0.000 1.080 322 S CA -0.613 57.446 58.200 -0.236 0.000 1.081 322 S CB -0.142 62.963 63.200 -0.158 0.000 1.009 322 S HN 0.626 nan 8.310 nan 0.000 0.502 323 D N 5.252 125.522 120.400 -0.217 0.000 2.344 323 D HA 0.081 4.720 4.640 -0.001 0.000 0.253 323 D C 1.319 177.527 176.300 -0.154 0.000 1.255 323 D CA -0.197 53.707 54.000 -0.160 0.000 0.894 323 D CB 0.964 41.678 40.800 -0.143 0.000 1.067 323 D HN 0.348 nan 8.370 nan 0.000 0.492 324 V N 4.978 124.794 119.914 -0.163 0.000 2.221 324 V HA -0.144 3.975 4.120 -0.001 0.000 0.242 324 V C 0.802 176.622 176.094 -0.457 0.000 1.041 324 V CA 1.181 63.279 62.300 -0.335 0.000 0.995 324 V CB -0.794 30.796 31.823 -0.389 0.000 0.635 324 V HN 0.472 nan 8.190 nan 0.000 0.448 325 Y N -0.952 119.338 120.300 -0.017 0.000 2.565 325 Y HA 0.499 5.048 4.550 -0.001 0.000 0.325 325 Y C 0.886 176.789 175.900 0.005 0.000 1.221 325 Y CA -1.029 57.069 58.100 -0.002 0.000 1.316 325 Y CB 0.192 38.657 38.460 0.007 0.000 1.404 325 Y HN 0.154 nan 8.280 nan 0.000 0.527 326 N N -0.763 118.060 118.700 0.205 0.000 2.846 326 N HA -0.132 4.607 4.740 -0.001 0.000 0.249 326 N C -1.087 174.457 175.510 0.057 0.000 1.090 326 N CA 0.298 53.423 53.050 0.125 0.000 0.674 326 N CB -1.247 37.304 38.487 0.106 0.000 0.938 326 N HN 0.757 nan 8.380 nan 0.000 0.559 327 A N 0.971 123.821 122.820 0.050 0.000 3.063 327 A HA 0.423 4.742 4.320 -0.001 0.000 0.263 327 A C 0.619 178.205 177.584 0.003 0.000 1.736 327 A CA 0.181 52.226 52.037 0.013 0.000 1.408 327 A CB -0.741 18.267 19.000 0.014 0.000 1.108 327 A HN 0.620 nan 8.150 nan 0.000 0.621 328 N N -1.043 117.652 118.700 -0.009 0.000 2.455 328 N HA 0.607 5.346 4.740 -0.001 0.000 0.278 328 N C -2.077 173.402 175.510 -0.052 0.000 1.291 328 N CA -1.724 51.310 53.050 -0.026 0.000 0.780 328 N CB 1.312 39.798 38.487 -0.003 0.000 1.520 328 N HN -0.088 nan 8.380 nan 0.000 0.486 329 P HA -0.179 nan 4.420 nan 0.000 0.216 329 P C 0.733 178.008 177.300 -0.043 0.000 1.150 329 P CA 1.554 64.611 63.100 -0.071 0.000 0.843 329 P CB -0.042 31.622 31.700 -0.061 0.000 0.787 330 T N 0.097 114.624 114.554 -0.044 0.000 2.737 330 T HA 0.066 4.415 4.350 -0.001 0.000 0.265 330 T C 1.378 176.052 174.700 -0.043 0.000 1.038 330 T CA 1.046 63.116 62.100 -0.049 0.000 1.144 330 T CB -0.746 68.073 68.868 -0.082 0.000 0.866 330 T HN 0.242 nan 8.240 nan 0.000 0.434 334 L N 1.797 123.038 121.223 0.029 0.000 2.056 334 L HA -0.041 4.298 4.340 -0.001 0.000 0.207 334 L C 2.363 179.278 176.870 0.075 0.000 1.078 334 L CA 0.767 55.633 54.840 0.042 0.000 0.749 334 L CB -0.240 41.818 42.059 -0.001 0.000 0.901 334 L HN 0.320 nan 8.230 nan 0.000 0.433 335 I N 0.131 120.729 120.570 0.047 0.000 2.454 335 I HA -0.250 3.919 4.170 -0.001 0.000 0.254 335 I C 2.302 178.481 176.117 0.104 0.000 1.156 335 I CA 1.547 62.876 61.300 0.049 0.000 1.433 335 I CB -0.399 37.589 38.000 -0.020 0.000 1.082 335 I HN 0.248 nan 8.210 nan 0.000 0.432 336 L N -0.098 121.190 121.223 0.107 0.000 2.044 336 L HA -0.171 4.169 4.340 -0.001 0.000 0.205 336 L C 2.299 179.289 176.870 0.199 0.000 1.075 336 L CA 1.088 56.027 54.840 0.164 0.000 0.747 336 L CB -0.464 41.677 42.059 0.136 0.000 0.903 336 L HN 0.186 nan 8.230 nan 0.000 0.435 337 E N -0.727 119.580 120.200 0.178 0.000 2.209 337 E HA -0.181 4.168 4.350 -0.001 0.000 0.196 337 E C 1.918 178.683 176.600 0.275 0.000 0.993 337 E CA 1.573 58.102 56.400 0.215 0.000 0.819 337 E CB -0.011 29.818 29.700 0.214 0.000 0.745 337 E HN 0.475 nan 8.360 nan 0.000 0.477 338 T N 0.436 115.158 114.554 0.280 0.000 2.866 338 T HA -0.068 4.281 4.350 -0.001 0.000 0.250 338 T C 1.413 176.198 174.700 0.142 0.000 1.033 338 T CA 0.403 62.676 62.100 0.288 0.000 1.145 338 T CB -0.356 68.701 68.868 0.316 0.000 0.866 338 T HN 0.141 nan 8.240 nan 0.000 0.434 339 F N 3.195 123.173 119.950 0.047 0.000 2.192 339 F HA -0.150 4.377 4.527 -0.001 0.000 0.301 339 F C 2.131 177.942 175.800 0.017 0.000 1.079 339 F CA 1.483 59.506 58.000 0.037 0.000 1.303 339 F CB -0.381 38.628 39.000 0.014 0.000 1.024 339 F HN 0.173 nan 8.300 nan 0.000 0.494 340 S N -0.888 114.816 115.700 0.007 0.000 2.660 340 S HA 0.457 4.926 4.470 -0.001 0.000 0.227 340 S C 1.375 175.882 174.600 -0.155 0.000 0.948 340 S CA 0.065 58.206 58.200 -0.100 0.000 0.948 340 S CB -0.122 63.109 63.200 0.053 0.000 0.779 340 S HN 0.359 nan 8.310 nan 0.000 0.487 341 A N 1.319 123.990 122.820 -0.247 0.000 2.055 341 A HA 0.496 4.816 4.320 -0.001 0.000 0.205 341 A C 0.745 178.111 177.584 -0.363 0.000 1.235 341 A CA -0.210 51.580 52.037 -0.412 0.000 0.822 341 A CB -0.131 18.282 19.000 -0.978 0.000 0.903 341 A HN 0.559 nan 8.150 nan 0.000 0.473 342 I N 2.415 122.793 120.570 -0.322 0.000 2.578 342 I HA 0.109 4.278 4.170 -0.001 0.000 0.286 342 I C -2.370 173.590 176.117 -0.261 0.000 1.126 342 I CA -1.494 59.638 61.300 -0.280 0.000 1.380 342 I CB 0.658 38.451 38.000 -0.345 0.000 1.408 342 I HN 0.081 nan 8.210 nan 0.000 0.532 343 P HA 0.067 nan 4.420 nan 0.000 0.269 343 P C -0.237 176.974 177.300 -0.149 0.000 1.215 343 P CA -0.198 62.814 63.100 -0.146 0.000 0.780 343 P CB 0.648 32.289 31.700 -0.097 0.000 0.898 344 A N 2.681 125.427 122.820 -0.124 0.000 2.448 344 A HA 0.077 4.396 4.320 -0.001 0.000 0.239 344 A C 0.898 178.440 177.584 -0.070 0.000 1.080 344 A CA 0.014 51.992 52.037 -0.099 0.000 0.779 344 A CB -0.249 18.711 19.000 -0.065 0.000 1.026 344 A HN 0.538 nan 8.150 nan 0.000 0.499 345 N N 0.144 118.817 118.700 -0.045 0.000 2.254 345 N HA 0.007 4.746 4.740 -0.001 0.000 0.272 345 N C 1.153 176.639 175.510 -0.040 0.000 1.295 345 N CA 0.227 53.261 53.050 -0.026 0.000 0.934 345 N CB -0.414 38.088 38.487 0.025 0.000 1.033 345 N HN 0.699 nan 8.380 nan 0.000 0.467 346 E N 0.731 120.896 120.200 -0.058 0.000 2.002 346 E HA -0.143 4.206 4.350 -0.001 0.000 0.213 346 E C 1.854 178.370 176.600 -0.140 0.000 1.024 346 E CA 1.856 58.160 56.400 -0.160 0.000 0.876 346 E CB -1.180 28.272 29.700 -0.413 0.000 0.799 346 E HN 0.710 nan 8.360 nan 0.000 0.497 347 G N -0.823 107.888 108.800 -0.148 0.000 2.514 347 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.217 347 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.217 347 G C 0.812 175.694 174.900 -0.030 0.000 1.198 347 G CA 1.269 46.329 45.100 -0.066 0.000 0.780 347 G HN 0.778 nan 8.290 nan 0.000 0.565 348 G N -1.158 107.637 108.800 -0.009 0.000 2.618 348 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.180 348 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.180 348 G C -0.256 174.645 174.900 0.002 0.000 1.092 348 G CA 0.276 45.368 45.100 -0.013 0.000 0.856 348 G HN 0.699 nan 8.290 nan 0.000 0.496 349 K N 0.483 120.896 120.400 0.021 0.000 2.376 349 K HA 0.577 4.896 4.320 -0.001 0.000 0.257 349 K C -0.395 176.232 176.600 0.045 0.000 0.939 349 K CA -1.007 55.300 56.287 0.032 0.000 0.809 349 K CB 0.886 33.412 32.500 0.043 0.000 1.121 349 K HN 0.004 nan 8.250 nan 0.000 0.425 350 K N 5.158 125.586 120.400 0.048 0.000 2.265 350 K HA 0.465 4.784 4.320 -0.001 0.000 0.267 350 K C -0.471 176.233 176.600 0.174 0.000 0.994 350 K CA -0.518 55.816 56.287 0.079 0.000 0.860 350 K CB 1.302 33.800 32.500 -0.002 0.000 1.099 350 K HN 0.581 nan 8.250 nan 0.000 0.448 351 I N 1.333 122.068 120.570 0.275 0.000 2.608 351 I HA 0.471 4.641 4.170 -0.001 0.000 0.295 351 I C -0.681 175.572 176.117 0.228 0.000 1.049 351 I CA -1.048 60.378 61.300 0.211 0.000 1.063 351 I CB 2.252 40.323 38.000 0.118 0.000 1.248 351 I HN 0.544 nan 8.210 nan 0.000 0.424 352 A N 5.588 128.457 122.820 0.081 0.000 2.359 352 A HA 0.765 5.084 4.320 -0.001 0.000 0.303 352 A C -1.127 176.353 177.584 -0.172 0.000 1.066 352 A CA -0.499 51.486 52.037 -0.085 0.000 0.730 352 A CB 1.521 20.508 19.000 -0.023 0.000 1.211 352 A HN 0.397 nan 8.150 nan 0.000 0.439 353 V N 4.183 123.983 119.914 -0.191 0.000 2.328 353 V HA 0.395 4.514 4.120 -0.001 0.000 0.278 353 V C -0.363 175.644 176.094 -0.145 0.000 1.021 353 V CA -0.128 62.076 62.300 -0.159 0.000 0.838 353 V CB 0.774 32.537 31.823 -0.101 0.000 0.999 353 V HN 0.735 nan 8.190 nan 0.000 0.447 354 L N 4.686 125.809 121.223 -0.167 0.000 2.322 354 L HA 0.936 5.275 4.340 -0.001 0.000 0.281 354 L C 0.214 177.169 176.870 0.142 0.000 1.014 354 L CA -0.373 54.448 54.840 -0.031 0.000 0.815 354 L CB 1.761 43.805 42.059 -0.025 0.000 1.247 354 L HN 0.691 nan 8.230 nan 0.000 0.421 355 A N 1.614 124.522 122.820 0.147 0.000 2.435 355 A HA 0.661 4.980 4.320 -0.001 0.000 0.296 355 A C -0.871 176.820 177.584 0.178 0.000 1.147 355 A CA -0.709 51.433 52.037 0.175 0.000 0.775 355 A CB 1.118 20.199 19.000 0.136 0.000 1.340 355 A HN 0.627 nan 8.150 nan 0.000 0.427 359 E N 0.840 121.070 120.200 0.050 0.000 2.476 359 E HA -0.240 4.109 4.350 -0.001 0.000 0.251 359 E C 0.317 176.947 176.600 0.050 0.000 1.130 359 E CA 0.344 56.769 56.400 0.043 0.000 0.736 359 E CB -1.245 28.474 29.700 0.031 0.000 1.298 359 E HN 0.415 nan 8.360 nan 0.000 0.400 360 L N -0.740 120.526 121.223 0.072 0.000 2.509 360 L HA 0.154 4.493 4.340 -0.001 0.000 0.222 360 L C 1.340 178.258 176.870 0.079 0.000 1.123 360 L CA 0.764 55.648 54.840 0.074 0.000 0.856 360 L CB -0.160 41.962 42.059 0.106 0.000 0.985 360 L HN 0.503 nan 8.230 nan 0.000 0.456 361 G N 1.167 110.010 108.800 0.071 0.000 2.549 361 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.404 361 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.404 361 G C -0.047 174.893 174.900 0.067 0.000 1.292 361 G CA -0.059 45.081 45.100 0.067 0.000 0.935 361 G HN 0.369 nan 8.290 nan 0.000 0.512 362 D N -0.900 119.534 120.400 0.058 0.000 2.392 362 D HA 0.074 4.714 4.640 -0.001 0.000 0.228 362 D C 1.674 178.009 176.300 0.057 0.000 1.003 362 D CA 1.522 55.550 54.000 0.046 0.000 0.917 362 D CB 0.193 41.013 40.800 0.033 0.000 0.890 362 D HN 0.387 nan 8.370 nan 0.000 0.532 363 Q N -0.288 119.564 119.800 0.086 0.000 2.282 363 Q HA 0.200 4.539 4.340 -0.001 0.000 0.206 363 Q C 1.592 177.668 176.000 0.125 0.000 0.878 363 Q CA 0.009 55.873 55.803 0.103 0.000 0.944 363 Q CB -0.005 28.819 28.738 0.144 0.000 1.100 363 Q HN 0.213 nan 8.270 nan 0.000 0.509 364 S N -1.056 114.721 115.700 0.127 0.000 2.401 364 S HA -0.233 4.236 4.470 -0.001 0.000 0.236 364 S C 1.758 176.521 174.600 0.272 0.000 1.058 364 S CA 2.059 60.376 58.200 0.194 0.000 1.151 364 S CB -0.472 62.811 63.200 0.139 0.000 1.049 364 S HN 0.307 nan 8.310 nan 0.000 0.432 365 V N 2.114 122.092 119.914 0.107 0.000 2.282 365 V HA -0.233 3.887 4.120 -0.001 0.000 0.249 365 V C 2.757 178.918 176.094 0.112 0.000 1.057 365 V CA 2.523 64.852 62.300 0.048 0.000 1.032 365 V CB -0.954 30.858 31.823 -0.019 0.000 0.645 365 V HN 0.641 nan 8.190 nan 0.000 0.447 366 Q N -0.542 119.317 119.800 0.098 0.000 2.124 366 Q HA -0.199 4.140 4.340 -0.001 0.000 0.202 366 Q C 2.233 178.305 176.000 0.119 0.000 0.977 366 Q CA 1.716 57.572 55.803 0.089 0.000 0.850 366 Q CB -0.130 28.652 28.738 0.073 0.000 0.901 366 Q HN 0.644 nan 8.270 nan 0.000 0.429 367 L N -0.524 120.789 121.223 0.150 0.000 2.141 367 L HA -0.187 4.153 4.340 -0.001 0.000 0.209 367 L C 2.118 179.037 176.870 0.081 0.000 1.094 367 L CA 1.148 56.056 54.840 0.113 0.000 0.763 367 L CB -0.424 41.691 42.059 0.092 0.000 0.908 367 L HN 0.294 nan 8.230 nan 0.000 0.437 368 H N -0.364 118.736 119.070 0.049 0.000 2.395 368 H HA -0.061 4.494 4.556 -0.001 0.000 0.299 368 H C 2.139 177.493 175.328 0.043 0.000 1.070 368 H CA 1.218 57.297 56.048 0.052 0.000 1.356 368 H CB -0.055 29.732 29.762 0.042 0.000 1.401 368 H HN 0.272 nan 8.280 nan 0.000 0.524 369 N N 0.684 119.472 118.700 0.147 0.000 2.244 369 N HA -0.101 4.639 4.740 -0.001 0.000 0.183 369 N C 1.173 176.730 175.510 0.078 0.000 1.016 369 N CA 0.472 53.569 53.050 0.077 0.000 0.866 369 N CB -0.246 38.267 38.487 0.044 0.000 0.980 369 N HN 0.393 nan 8.380 nan 0.000 0.430 373 L N 0.514 121.803 121.223 0.109 0.000 2.465 373 L HA 0.072 4.411 4.340 -0.001 0.000 0.224 373 L C 1.230 178.161 176.870 0.103 0.000 1.145 373 L CA 1.230 56.125 54.840 0.093 0.000 0.834 373 L CB -0.467 41.635 42.059 0.072 0.000 0.944 373 L HN 0.158 nan 8.230 nan 0.000 0.451 374 S N -0.378 115.397 115.700 0.125 0.000 2.554 374 S HA 0.324 4.793 4.470 -0.001 0.000 0.226 374 S C 0.412 175.116 174.600 0.174 0.000 0.980 374 S CA -0.225 58.054 58.200 0.131 0.000 0.939 374 S CB 0.262 63.533 63.200 0.119 0.000 0.832 374 S HN 0.138 nan 8.310 nan 0.000 0.486 375 L N 1.703 123.058 121.223 0.219 0.000 2.298 375 L HA 0.526 4.865 4.340 -0.001 0.000 0.284 375 L C -0.078 176.957 176.870 0.275 0.000 1.013 375 L CA -0.316 54.724 54.840 0.334 0.000 0.824 375 L CB 1.693 44.035 42.059 0.472 0.000 1.221 375 L HN -0.002 nan 8.230 nan 0.000 0.418 376 S N 3.591 119.400 115.700 0.182 0.000 2.454 376 S HA 0.478 4.947 4.470 -0.001 0.000 0.306 376 S C -1.866 172.579 174.600 -0.258 0.000 1.100 376 S CA -1.529 56.644 58.200 -0.044 0.000 1.087 376 S CB 1.702 64.898 63.200 -0.008 0.000 1.019 376 S HN 0.306 nan 8.310 nan 0.000 0.480 377 P HA -0.084 nan 4.420 nan 0.000 0.216 377 P C 0.921 178.076 177.300 -0.241 0.000 1.153 377 P CA 0.980 63.551 63.100 -0.883 0.000 0.848 377 P CB 0.104 31.334 31.700 -0.783 0.000 0.787 378 D N -0.893 119.408 120.400 -0.165 0.000 2.123 378 D HA -0.145 4.494 4.640 -0.001 0.000 0.196 378 D C 1.595 177.887 176.300 -0.014 0.000 0.992 378 D CA 1.264 55.227 54.000 -0.062 0.000 0.833 378 D CB -0.384 40.382 40.800 -0.057 0.000 0.954 378 D HN -0.101 nan 8.370 nan 0.000 0.455 379 V N 0.029 119.940 119.914 -0.004 0.000 2.599 379 V HA 0.090 4.209 4.120 -0.001 0.000 0.245 379 V C 1.128 177.261 176.094 0.064 0.000 1.046 379 V CA 0.495 62.803 62.300 0.013 0.000 1.065 379 V CB -0.175 31.649 31.823 0.002 0.000 0.703 379 V HN 0.178 nan 8.190 nan 0.000 0.464 380 L N 0.932 122.249 121.223 0.156 0.000 2.289 380 L HA 0.348 4.687 4.340 -0.001 0.000 0.285 380 L C 0.697 177.759 176.870 0.320 0.000 1.049 380 L CA -0.270 54.728 54.840 0.264 0.000 0.804 380 L CB 1.243 43.543 42.059 0.402 0.000 1.195 380 L HN 0.175 nan 8.230 nan 0.000 0.428 381 D N 3.280 123.815 120.400 0.226 0.000 2.355 381 D HA 0.276 4.915 4.640 -0.001 0.000 0.206 381 D C 0.258 176.624 176.300 0.109 0.000 1.010 381 D CA 0.950 55.049 54.000 0.164 0.000 0.875 381 D CB 1.348 42.178 40.800 0.050 0.000 0.966 381 D HN 0.286 nan 8.370 nan 0.000 0.512 382 I N 0.862 121.527 120.570 0.158 0.000 2.685 382 I HA 0.134 4.303 4.170 -0.001 0.000 0.289 382 I C -1.388 174.779 176.117 0.083 0.000 1.292 382 I CA -0.700 60.678 61.300 0.131 0.000 1.050 382 I CB 3.077 41.147 38.000 0.116 0.000 1.301 382 I HN -0.402 nan 8.210 nan 0.000 0.425 383 V N 6.694 126.600 119.914 -0.013 0.000 2.444 383 V HA 0.529 4.648 4.120 -0.001 0.000 0.294 383 V C -0.161 175.783 176.094 -0.249 0.000 1.022 383 V CA -0.430 61.737 62.300 -0.221 0.000 0.850 383 V CB 1.984 33.568 31.823 -0.398 0.000 0.992 383 V HN 0.456 nan 8.190 nan 0.000 0.426 384 I N 4.931 125.336 120.570 -0.275 0.000 2.377 384 I HA 0.539 4.709 4.170 -0.001 0.000 0.293 384 I C -0.929 175.033 176.117 -0.259 0.000 0.987 384 I CA -0.263 61.005 61.300 -0.053 0.000 1.185 384 I CB 1.594 39.665 38.000 0.119 0.000 1.341 384 I HN 0.418 nan 8.210 nan 0.000 0.455 385 F N 5.692 125.805 119.950 0.271 0.000 2.480 385 F HA 0.454 4.981 4.527 -0.001 0.000 0.329 385 F C -0.521 175.495 175.800 0.359 0.000 1.091 385 F CA -0.744 57.435 58.000 0.299 0.000 0.972 385 F CB 1.464 40.666 39.000 0.337 0.000 1.150 385 F HN 0.278 nan 8.300 nan 0.000 0.467 386 Y N 1.807 122.288 120.300 0.302 0.000 2.354 386 Y HA 0.732 5.281 4.550 -0.001 0.000 0.330 386 Y C -0.269 175.725 175.900 0.157 0.000 1.011 386 Y CA -0.939 57.257 58.100 0.160 0.000 1.099 386 Y CB 1.412 39.947 38.460 0.125 0.000 1.179 386 Y HN 0.786 nan 8.280 nan 0.000 0.442 387 G N 4.607 113.326 108.800 -0.135 0.000 2.403 387 G HA2 0.042 4.001 3.960 -0.001 0.000 0.223 387 G HA3 0.042 4.001 3.960 -0.001 0.000 0.223 387 G C -0.641 174.286 174.900 0.045 0.000 1.287 387 G CA 0.145 45.137 45.100 -0.180 0.000 0.982 387 G HN 0.570 nan 8.290 nan 0.000 0.471 388 E N -1.665 118.544 120.200 0.015 0.000 3.596 388 E HA 0.102 4.452 4.350 -0.001 0.000 0.188 388 E C 1.169 177.736 176.600 -0.054 0.000 1.232 388 E CA 0.275 56.693 56.400 0.029 0.000 1.460 388 E CB 0.329 30.018 29.700 -0.018 0.000 1.513 388 E HN 0.246 nan 8.360 nan 0.000 0.530 389 D N 1.287 121.589 120.400 -0.163 0.000 2.263 389 D HA -0.123 4.517 4.640 -0.001 0.000 0.208 389 D C 1.660 177.714 176.300 -0.411 0.000 0.971 389 D CA 0.721 54.533 54.000 -0.312 0.000 0.867 389 D CB 0.085 40.604 40.800 -0.469 0.000 0.929 389 D HN 0.248 nan 8.370 nan 0.000 0.492 390 I N 0.099 120.507 120.570 -0.269 0.000 3.684 390 I HA 0.010 4.179 4.170 -0.001 0.000 0.304 390 I C 1.851 177.908 176.117 -0.100 0.000 1.278 390 I CA -0.033 61.218 61.300 -0.080 0.000 1.272 390 I CB 0.163 38.294 38.000 0.218 0.000 1.029 390 I HN -0.173 nan 8.210 nan 0.000 0.458 391 A N 0.175 122.893 122.820 -0.170 0.000 1.902 391 A HA -0.253 4.067 4.320 -0.001 0.000 0.217 391 A C 2.186 179.524 177.584 -0.409 0.000 1.181 391 A CA 1.506 53.273 52.037 -0.449 0.000 0.623 391 A CB -0.457 18.266 19.000 -0.461 0.000 0.818 391 A HN 0.553 nan 8.150 nan 0.000 0.443 392 Q N -1.297 118.347 119.800 -0.260 0.000 2.226 392 Q HA -0.122 4.217 4.340 -0.001 0.000 0.204 392 Q C 1.943 177.814 176.000 -0.216 0.000 0.975 392 Q CA 1.278 56.959 55.803 -0.204 0.000 0.866 392 Q CB -0.178 28.486 28.738 -0.123 0.000 0.915 392 Q HN 0.626 nan 8.270 nan 0.000 0.440 393 L N -0.193 120.883 121.223 -0.244 0.000 2.072 393 L HA 0.011 4.350 4.340 -0.001 0.000 0.205 393 L C 2.019 178.535 176.870 -0.590 0.000 1.079 393 L CA 1.873 56.548 54.840 -0.274 0.000 0.752 393 L CB -0.696 41.279 42.059 -0.140 0.000 0.906 393 L HN 0.089 nan 8.230 nan 0.000 0.436 394 A N -0.652 121.626 122.820 -0.903 0.000 1.902 394 A HA -0.273 4.046 4.320 -0.001 0.000 0.217 394 A C 2.264 179.552 177.584 -0.494 0.000 1.181 394 A CA 1.782 53.166 52.037 -1.089 0.000 0.623 394 A CB -0.775 17.784 19.000 -0.735 0.000 0.818 394 A HN 0.590 nan 8.150 nan 0.000 0.443 395 Q N 0.192 119.765 119.800 -0.378 0.000 2.084 395 Q HA -0.092 4.248 4.340 -0.001 0.000 0.202 395 Q C 1.798 177.706 176.000 -0.154 0.000 0.978 395 Q CA 1.911 57.576 55.803 -0.231 0.000 0.844 395 Q CB -0.644 27.969 28.738 -0.208 0.000 0.898 395 Q HN 0.636 nan 8.270 nan 0.000 0.426 396 L N -0.194 120.938 121.223 -0.152 0.000 2.046 396 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 396 L C 2.418 179.288 176.870 -0.001 0.000 1.077 396 L CA 1.088 55.892 54.840 -0.061 0.000 0.747 396 L CB -0.749 41.285 42.059 -0.042 0.000 0.896 396 L HN 0.334 nan 8.230 nan 0.000 0.432 397 A N 0.099 122.882 122.820 -0.061 0.000 1.902 397 A HA -0.224 4.095 4.320 -0.001 0.000 0.217 397 A C 2.524 180.151 177.584 0.070 0.000 1.181 397 A CA 1.947 54.000 52.037 0.026 0.000 0.623 397 A CB -0.767 18.173 19.000 -0.101 0.000 0.818 397 A HN 0.522 nan 8.150 nan 0.000 0.443 398 S N -0.194 115.492 115.700 -0.023 0.000 2.400 398 S HA -0.153 4.316 4.470 -0.001 0.000 0.232 398 S C 1.131 175.760 174.600 0.047 0.000 1.025 398 S CA 0.960 59.162 58.200 0.004 0.000 0.993 398 S CB -0.474 62.694 63.200 -0.054 0.000 0.808 398 S HN 0.710 nan 8.310 nan 0.000 0.478 402 P HA 0.218 nan 4.420 nan 0.000 0.270 402 P C -0.409 176.778 177.300 -0.188 0.000 1.223 402 P CA -0.314 62.624 63.100 -0.271 0.000 0.785 402 P CB 0.361 31.629 31.700 -0.720 0.000 0.923 403 I N 1.273 121.770 120.570 -0.121 0.000 2.752 403 I HA 0.006 4.175 4.170 -0.001 0.000 0.289 403 I C 1.786 177.919 176.117 0.028 0.000 1.197 403 I CA 1.344 62.621 61.300 -0.037 0.000 1.432 403 I CB -1.026 36.963 38.000 -0.019 0.000 1.359 403 I HN 0.823 nan 8.210 nan 0.000 0.571 404 G N 5.554 114.370 108.800 0.026 0.000 2.179 404 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.260 404 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.260 404 G C 0.701 175.679 174.900 0.131 0.000 0.977 404 G CA 0.221 45.343 45.100 0.038 0.000 0.641 404 G HN 0.698 nan 8.290 nan 0.000 0.533 405 H N -0.574 118.485 119.070 -0.018 0.000 2.533 405 H HA 0.545 5.100 4.556 -0.001 0.000 0.271 405 H C 0.794 176.110 175.328 -0.019 0.000 1.000 405 H CA 0.551 56.639 56.048 0.066 0.000 1.149 405 H CB 0.352 30.254 29.762 0.233 0.000 1.375 405 H HN 0.355 nan 8.280 nan 0.000 0.582 406 V N 0.164 120.031 119.914 -0.079 0.000 2.876 406 V HA 0.350 4.470 4.120 -0.001 0.000 0.312 406 V C -1.118 174.793 176.094 -0.303 0.000 1.085 406 V CA -1.002 61.251 62.300 -0.078 0.000 0.945 406 V CB 2.368 34.180 31.823 -0.018 0.000 1.017 406 V HN 0.054 nan 8.190 nan 0.000 0.428 407 Y N 2.283 122.655 120.300 0.121 0.000 2.553 407 Y HA 0.682 5.231 4.550 -0.001 0.000 0.347 407 Y C -1.049 174.906 175.900 0.091 0.000 1.019 407 Y CA -0.785 57.321 58.100 0.011 0.000 1.032 407 Y CB 2.250 40.709 38.460 -0.002 0.000 1.284 407 Y HN 0.643 nan 8.280 nan 0.000 0.466 408 Y N 2.613 122.804 120.300 -0.182 0.000 2.421 408 Y HA 0.695 5.245 4.550 -0.001 0.000 0.339 408 Y C -2.303 173.352 175.900 -0.407 0.000 0.996 408 Y CA -1.967 56.075 58.100 -0.097 0.000 1.046 408 Y CB 1.043 39.486 38.460 -0.029 0.000 1.226 408 Y HN 0.483 nan 8.280 nan 0.000 0.445 409 F N 5.049 124.593 119.950 -0.676 0.000 2.518 409 F HA 0.471 4.997 4.527 -0.001 0.000 0.323 409 F C 0.030 175.475 175.800 -0.591 0.000 1.129 409 F CA -1.044 56.681 58.000 -0.459 0.000 0.920 409 F CB 1.867 40.784 39.000 -0.139 0.000 1.160 409 F HN 0.350 nan 8.300 nan 0.000 0.440 410 K N 2.582 122.856 120.400 -0.211 0.000 2.319 410 K HA 0.255 4.574 4.320 -0.001 0.000 0.265 410 K C -0.501 176.191 176.600 0.154 0.000 1.000 410 K CA -0.182 56.104 56.287 -0.001 0.000 0.943 410 K CB 0.655 33.236 32.500 0.134 0.000 0.950 410 K HN 0.702 nan 8.250 nan 0.000 0.485 411 K N 2.622 123.055 120.400 0.055 0.000 2.767 411 K HA 0.101 4.421 4.320 -0.001 0.000 0.286 411 K C -1.468 175.112 176.600 -0.033 0.000 1.177 411 K CA -0.309 55.965 56.287 -0.021 0.000 1.078 411 K CB 0.710 32.956 32.500 -0.424 0.000 1.358 411 K HN 0.841 nan 8.250 nan 0.000 0.531 412 T N -1.370 113.194 114.554 0.017 0.000 2.742 412 T HA 0.252 4.601 4.350 -0.001 0.000 0.282 412 T C 0.959 175.666 174.700 0.012 0.000 1.025 412 T CA -0.553 61.553 62.100 0.009 0.000 1.020 412 T CB 1.270 70.154 68.868 0.027 0.000 1.317 412 T HN 0.469 nan 8.240 nan 0.000 0.538 413 E N -0.018 120.187 120.200 0.009 0.000 2.478 413 E HA -0.050 4.299 4.350 -0.001 0.000 0.198 413 E C 0.425 177.036 176.600 0.019 0.000 1.046 413 E CA 0.783 57.189 56.400 0.010 0.000 0.870 413 E CB -0.120 29.583 29.700 0.005 0.000 0.818 413 E HN 0.570 nan 8.360 nan 0.000 0.527 414 D N 0.944 121.360 120.400 0.026 0.000 2.414 414 D HA -0.038 4.602 4.640 -0.001 0.000 0.237 414 D C 0.899 177.224 176.300 0.042 0.000 0.975 414 D CA 0.788 54.806 54.000 0.031 0.000 0.917 414 D CB 0.156 40.975 40.800 0.031 0.000 1.061 414 D HN 0.271 nan 8.370 nan 0.000 0.480 415 Q N 0.576 120.409 119.800 0.054 0.000 2.451 415 Q HA 0.510 4.849 4.340 -0.001 0.000 0.281 415 Q C -1.393 174.664 176.000 0.095 0.000 1.099 415 Q CA -0.610 55.236 55.803 0.071 0.000 0.806 415 Q CB 2.884 31.668 28.738 0.076 0.000 1.419 415 Q HN -0.092 nan 8.270 nan 0.000 0.427 416 D N 1.015 121.489 120.400 0.123 0.000 2.470 416 D HA 0.105 4.744 4.640 -0.001 0.000 0.233 416 D C -0.868 175.556 176.300 0.206 0.000 1.372 416 D CA -0.128 53.987 54.000 0.191 0.000 0.994 416 D CB 1.343 42.252 40.800 0.182 0.000 1.377 416 D HN 0.584 nan 8.370 nan 0.000 0.586 417 Q N 3.176 123.116 119.800 0.233 0.000 2.294 417 Q HA 0.081 4.420 4.340 -0.001 0.000 0.256 417 Q C 1.009 177.004 176.000 -0.008 0.000 0.907 417 Q CA -0.432 55.457 55.803 0.143 0.000 0.954 417 Q CB 0.044 28.916 28.738 0.223 0.000 1.102 417 Q HN 0.476 nan 8.270 nan 0.000 0.429 418 F N 1.805 121.689 119.950 -0.110 0.000 2.161 418 F HA -0.238 4.288 4.527 -0.001 0.000 0.300 418 F C 1.944 177.546 175.800 -0.331 0.000 1.089 418 F CA 1.779 59.585 58.000 -0.325 0.000 1.282 418 F CB 0.176 39.102 39.000 -0.123 0.000 1.010 418 F HN 0.164 nan 8.300 nan 0.000 0.485 419 E N 0.646 120.610 120.200 -0.393 0.000 2.038 419 E HA -0.220 4.130 4.350 -0.001 0.000 0.195 419 E C 1.914 178.239 176.600 -0.459 0.000 1.000 419 E CA 2.177 58.316 56.400 -0.435 0.000 0.803 419 E CB -0.497 29.098 29.700 -0.176 0.000 0.750 419 E HN 0.452 nan 8.360 nan 0.000 0.448 420 D N -0.185 120.004 120.400 -0.351 0.000 2.178 420 D HA -0.127 4.513 4.640 -0.001 0.000 0.202 420 D C 2.020 177.825 176.300 -0.825 0.000 0.974 420 D CA 0.689 54.488 54.000 -0.335 0.000 0.841 420 D CB -0.256 40.555 40.800 0.017 0.000 0.953 420 D HN 0.207 nan 8.370 nan 0.000 0.478 421 L N 1.118 121.569 121.223 -1.288 0.000 1.976 421 L HA -0.170 4.169 4.340 -0.001 0.000 0.209 421 L C 2.277 178.582 176.870 -0.942 0.000 1.071 421 L CA 1.510 55.331 54.840 -1.698 0.000 0.746 421 L CB -0.748 40.508 42.059 -1.338 0.000 0.890 421 L HN -0.155 nan 8.230 nan 0.000 0.432 422 V N 0.219 119.650 119.914 -0.804 0.000 2.252 422 V HA -0.374 3.745 4.120 -0.001 0.000 0.249 422 V C 2.695 178.529 176.094 -0.434 0.000 1.056 422 V CA 2.374 64.326 62.300 -0.581 0.000 1.022 422 V CB -0.919 30.501 31.823 -0.672 0.000 0.641 422 V HN 0.579 nan 8.190 nan 0.000 0.445 423 K N -0.266 119.878 120.400 -0.427 0.000 2.020 423 K HA -0.333 3.986 4.320 -0.001 0.000 0.212 423 K C 2.332 178.777 176.600 -0.258 0.000 1.050 423 K CA 2.344 58.458 56.287 -0.288 0.000 0.929 423 K CB -0.201 32.155 32.500 -0.241 0.000 0.714 423 K HN 0.434 nan 8.250 nan 0.000 0.443 424 Q N 0.454 120.063 119.800 -0.319 0.000 2.046 424 Q HA -0.107 4.232 4.340 -0.001 0.000 0.200 424 Q C 1.857 177.690 176.000 -0.279 0.000 0.975 424 Q CA 1.849 57.489 55.803 -0.271 0.000 0.836 424 Q CB -0.170 28.458 28.738 -0.183 0.000 0.896 424 Q HN 0.221 nan 8.270 nan 0.000 0.428 425 V N 1.026 120.757 119.914 -0.304 0.000 2.255 425 V HA -0.298 3.821 4.120 -0.001 0.000 0.247 425 V C 2.680 178.673 176.094 -0.167 0.000 1.051 425 V CA 2.802 64.969 62.300 -0.222 0.000 1.018 425 V CB -1.610 30.076 31.823 -0.230 0.000 0.641 425 V HN 0.597 nan 8.190 nan 0.000 0.445 426 K N 0.041 120.334 120.400 -0.177 0.000 2.074 426 K HA -0.287 4.033 4.320 -0.001 0.000 0.209 426 K C 2.110 178.646 176.600 -0.107 0.000 1.048 426 K CA 2.152 58.360 56.287 -0.132 0.000 0.926 426 K CB -0.895 31.521 32.500 -0.140 0.000 0.713 426 K HN 0.687 nan 8.250 nan 0.000 0.444 427 E N 0.136 120.263 120.200 -0.121 0.000 2.051 427 E HA -0.140 4.209 4.350 -0.001 0.000 0.192 427 E C 2.273 178.828 176.600 -0.074 0.000 0.991 427 E CA 1.524 57.869 56.400 -0.092 0.000 0.799 427 E CB -0.029 29.613 29.700 -0.098 0.000 0.748 427 E HN 0.572 nan 8.360 nan 0.000 0.449 428 S N 0.433 116.075 115.700 -0.097 0.000 2.414 428 S HA -0.059 4.410 4.470 -0.001 0.000 0.227 428 S C 0.649 175.229 174.600 -0.033 0.000 1.022 428 S CA -0.118 58.045 58.200 -0.062 0.000 0.958 428 S CB -0.070 63.080 63.200 -0.085 0.000 0.797 428 S HN 0.204 nan 8.310 nan 0.000 0.493 429 L N 3.225 124.421 121.223 -0.045 0.000 2.638 429 L HA 0.319 4.658 4.340 -0.001 0.000 0.273 429 L C 0.601 177.461 176.870 -0.016 0.000 1.147 429 L CA -0.059 54.768 54.840 -0.022 0.000 0.941 429 L CB -0.597 41.441 42.059 -0.035 0.000 1.251 429 L HN 0.072 nan 8.230 nan 0.000 0.479 430 G N 3.303 112.106 108.800 0.004 0.000 2.451 430 G HA2 0.482 4.441 3.960 -0.001 0.000 0.303 430 G HA3 0.482 4.441 3.960 -0.001 0.000 0.303 430 G C 0.770 175.657 174.900 -0.021 0.000 1.166 430 G CA -0.183 44.919 45.100 0.003 0.000 0.884 430 G HN 0.965 nan 8.290 nan 0.000 0.514 431 A N 0.101 122.876 122.820 -0.076 0.000 2.076 431 A HA -0.058 4.261 4.320 -0.001 0.000 0.220 431 A C 1.354 178.732 177.584 -0.344 0.000 1.160 431 A CA 1.105 53.015 52.037 -0.212 0.000 0.653 431 A CB -0.327 18.497 19.000 -0.293 0.000 0.801 431 A HN 0.663 nan 8.150 nan 0.000 0.455 432 H N -0.200 118.878 119.070 0.012 0.000 2.475 432 H HA 0.200 4.756 4.556 -0.001 0.000 0.276 432 H C -0.864 174.475 175.328 0.019 0.000 1.126 432 H CA -0.554 55.499 56.048 0.010 0.000 1.023 432 H CB 0.138 29.899 29.762 -0.001 0.000 1.669 432 H HN 0.443 nan 8.280 nan 0.000 0.573 433 D N 0.905 121.364 120.400 0.100 0.000 2.385 433 D HA 0.247 4.886 4.640 -0.001 0.000 0.254 433 D C 0.351 176.738 176.300 0.146 0.000 1.053 433 D CA -0.415 53.649 54.000 0.106 0.000 0.992 433 D CB 1.654 42.507 40.800 0.089 0.000 1.145 433 D HN 0.168 nan 8.370 nan 0.000 0.523 434 Q N 0.671 120.592 119.800 0.201 0.000 2.339 434 Q HA 0.505 4.845 4.340 -0.001 0.000 0.268 434 Q C -0.644 175.655 176.000 0.500 0.000 1.027 434 Q CA -0.411 55.622 55.803 0.382 0.000 0.759 434 Q CB 2.395 31.329 28.738 0.326 0.000 1.244 434 Q HN 0.385 nan 8.270 nan 0.000 0.464 435 I N 3.686 124.470 120.570 0.356 0.000 2.339 435 I HA 0.353 4.522 4.170 -0.001 0.000 0.290 435 I C -1.202 174.832 176.117 -0.139 0.000 0.994 435 I CA -0.946 60.447 61.300 0.154 0.000 1.191 435 I CB 0.799 38.828 38.000 0.049 0.000 1.343 435 I HN 0.581 nan 8.210 nan 0.000 0.458 436 L N 8.420 129.292 121.223 -0.584 0.000 2.292 436 L HA 0.503 4.842 4.340 -0.001 0.000 0.284 436 L C -1.461 175.109 176.870 -0.500 0.000 1.065 436 L CA -0.674 53.559 54.840 -1.011 0.000 0.806 436 L CB 1.137 42.042 42.059 -1.922 0.000 1.175 436 L HN 0.638 nan 8.230 nan 0.000 0.431 437 L N 5.875 126.867 121.223 -0.384 0.000 2.342 437 L HA 0.496 4.836 4.340 -0.001 0.000 0.276 437 L C -0.814 175.932 176.870 -0.207 0.000 0.997 437 L CA -0.408 54.291 54.840 -0.235 0.000 0.838 437 L CB 1.651 43.607 42.059 -0.172 0.000 1.224 437 L HN 0.440 nan 8.230 nan 0.000 0.416 438 K N 2.420 122.727 120.400 -0.156 0.000 2.501 438 K HA 0.920 5.239 4.320 -0.001 0.000 0.252 438 K C -0.831 175.736 176.600 -0.055 0.000 0.934 438 K CA -0.335 55.882 56.287 -0.117 0.000 0.797 438 K CB 2.372 34.797 32.500 -0.124 0.000 1.270 438 K HN 0.617 nan 8.250 nan 0.000 0.431 439 G N 0.962 109.733 108.800 -0.047 0.000 2.358 439 G HA2 0.212 4.171 3.960 -0.001 0.000 0.301 439 G HA3 0.212 4.171 3.960 -0.001 0.000 0.301 439 G C -1.298 173.585 174.900 -0.028 0.000 1.539 439 G CA -0.834 44.261 45.100 -0.009 0.000 0.893 439 G HN 0.547 nan 8.290 nan 0.000 0.636 440 S N -0.187 115.509 115.700 -0.007 0.000 2.553 440 S HA 0.015 4.484 4.470 -0.001 0.000 0.293 440 S C 1.044 175.616 174.600 -0.048 0.000 1.296 440 S CA 0.237 58.425 58.200 -0.021 0.000 1.046 440 S CB 0.250 63.451 63.200 0.003 0.000 0.810 440 S HN 0.682 nan 8.310 nan 0.000 0.505 441 N N 0.409 119.064 118.700 -0.075 0.000 2.482 441 N HA 0.278 5.017 4.740 -0.001 0.000 0.260 441 N C -0.295 175.178 175.510 -0.063 0.000 1.236 441 N CA 0.027 53.020 53.050 -0.094 0.000 0.938 441 N CB 0.329 38.736 38.487 -0.133 0.000 1.128 441 N HN 0.715 nan 8.380 nan 0.000 0.448 445 L N 2.483 123.675 121.223 -0.051 0.000 2.081 445 L HA 0.069 4.408 4.340 -0.001 0.000 0.212 445 L C 2.074 178.931 176.870 -0.022 0.000 1.080 445 L CA 2.483 57.334 54.840 0.019 0.000 0.754 445 L CB -0.734 41.333 42.059 0.013 0.000 0.893 445 L HN 0.296 nan 8.230 nan 0.000 0.433 446 A N -0.995 121.788 122.820 -0.062 0.000 1.898 446 A HA -0.199 4.120 4.320 -0.001 0.000 0.216 446 A C 2.396 179.964 177.584 -0.026 0.000 1.181 446 A CA 1.724 53.729 52.037 -0.053 0.000 0.620 446 A CB -0.478 18.483 19.000 -0.064 0.000 0.819 446 A HN 0.473 nan 8.150 nan 0.000 0.442 447 K N -0.940 119.438 120.400 -0.037 0.000 2.097 447 K HA -0.109 4.210 4.320 -0.001 0.000 0.206 447 K C 1.929 178.621 176.600 0.153 0.000 1.049 447 K CA 1.344 57.664 56.287 0.056 0.000 0.933 447 K CB -0.312 32.219 32.500 0.051 0.000 0.717 447 K HN 0.405 nan 8.250 nan 0.000 0.442 448 L N 0.874 122.215 121.223 0.198 0.000 2.017 448 L HA -0.163 4.177 4.340 -0.001 0.000 0.208 448 L C 1.923 178.804 176.870 0.020 0.000 1.073 448 L CA 1.540 56.460 54.840 0.134 0.000 0.745 448 L CB -0.394 41.742 42.059 0.128 0.000 0.894 448 L HN -0.110 nan 8.230 nan 0.000 0.432 449 V N 0.039 119.956 119.914 0.004 0.000 2.594 449 V HA -0.276 3.843 4.120 -0.001 0.000 0.253 449 V C 2.594 178.680 176.094 -0.013 0.000 1.069 449 V CA 1.956 64.243 62.300 -0.021 0.000 1.082 449 V CB -0.779 31.023 31.823 -0.035 0.000 0.680 449 V HN 0.645 nan 8.190 nan 0.000 0.469 450 E N -0.012 120.189 120.200 0.001 0.000 2.158 450 E HA -0.146 4.204 4.350 -0.001 0.000 0.191 450 E C 2.233 178.830 176.600 -0.004 0.000 0.982 450 E CA 1.146 57.547 56.400 0.002 0.000 0.823 450 E CB 0.002 29.708 29.700 0.011 0.000 0.766 450 E HN 0.571 nan 8.360 nan 0.000 0.468 451 S N 0.728 116.424 115.700 -0.006 0.000 2.447 451 S HA -0.054 4.415 4.470 -0.001 0.000 0.233 451 S C 1.860 176.433 174.600 -0.045 0.000 1.006 451 S CA 0.617 58.797 58.200 -0.034 0.000 0.957 451 S CB -0.056 63.103 63.200 -0.067 0.000 0.773 451 S HN 0.270 nan 8.310 nan 0.000 0.507 452 L N 0.962 122.163 121.223 -0.038 0.000 2.049 452 L HA -0.005 4.335 4.340 -0.001 0.000 0.203 452 L C 2.466 179.323 176.870 -0.022 0.000 1.074 452 L CA 1.043 55.862 54.840 -0.036 0.000 0.749 452 L CB -0.679 41.360 42.059 -0.033 0.000 0.907 452 L HN 0.253 nan 8.230 nan 0.000 0.439 453 E N 0.553 120.745 120.200 -0.013 0.000 2.031 453 E HA -0.131 4.219 4.350 -0.001 0.000 0.193 453 E C 0.735 177.331 176.600 -0.008 0.000 0.994 453 E CA 0.494 56.891 56.400 -0.005 0.000 0.800 453 E CB -0.283 29.417 29.700 0.000 0.000 0.752 453 E HN 0.473 nan 8.360 nan 0.000 0.447 454 N N 0.000 118.694 118.700 -0.010 0.000 1.763 454 N HA 0.000 4.739 4.740 -0.001 0.000 0.220 454 N CA 0.000 53.043 53.050 -0.011 0.000 0.885 454 N CB 0.000 38.479 38.487 -0.013 0.000 1.341 454 N HN 0.000 nan 8.380 nan 0.000 0.667