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 2w6i_1_C DATA FIRST_RESID 19 DATA SEQUENCE ADTSVDLEET GRVLSIGDGI ARVHGLRNVQ AEEMVEFSSG LKGMSLNLEP DATA SEQUENCE DNVGVVVFGN DKLIKEGDIV KRTGAIVDVP VGEELLGRVV DALGNAIDGK DATA SEQUENCE GPIGSKARRR VGLKAPGIIP RISVREPMQT GIKAVDSLVP IGRGQRELII DATA SEQUENCE GDRQTGKTSI AIDTIINQKR FNDGTDEKKK LYCIYVAIGQ KRSTVAQLVK DATA SEQUENCE RLTDADAMKY TIVVSATASD AAPLQYLAPY SGCSMGEYFR DNGKHALIIY DATA SEQUENCE DDLSKQAVAY RQMSLLLRRP PGREAYPGDV FYLHSRLLER AAKMNDAFGG DATA SEQUENCE GSLTALPVIE TQAGDVSAYI PTNVISITDG QIFLETELFY KGIRPAINVG DATA SEQUENCE LSVSRVGSAA QTRAMKQVAG TMKLELAQYR EVAAFAQFGS DLDAATQQLL DATA SEQUENCE SRGVRLTELL KQGQYSPMAI EEQVAVIYAG VRGYLDKLEP SKITKFENAF DATA SEQUENCE LSHVISQHQA LLSKIRTDGK ISEESDAKLK EIVTNFLAGF EA 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 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.586 177.584 0.003 0.000 1.274 19 A CA 0.000 52.039 52.037 0.003 0.000 0.836 19 A CB 0.000 19.002 19.000 0.003 0.000 0.831 20 D N 2.370 122.772 120.400 0.004 0.000 2.412 20 D HA 0.214 4.854 4.640 -0.001 0.000 0.257 20 D C 1.021 177.324 176.300 0.004 0.000 1.217 20 D CA 1.471 55.473 54.000 0.004 0.000 0.897 20 D CB 0.768 41.571 40.800 0.005 0.000 1.132 20 D HN 0.519 nan 8.370 nan 0.000 0.493 21 T N -0.207 114.349 114.554 0.003 0.000 3.331 21 T HA 0.111 4.461 4.350 -0.001 0.000 0.282 21 T C 1.285 175.986 174.700 0.002 0.000 1.010 21 T CA -0.162 61.940 62.100 0.003 0.000 0.928 21 T CB -0.231 68.638 68.868 0.002 0.000 1.154 21 T HN 0.205 nan 8.240 nan 0.000 0.516 22 S N 0.307 116.009 115.700 0.002 0.000 2.470 22 S HA 0.121 4.590 4.470 -0.001 0.000 0.225 22 S C 0.913 175.513 174.600 0.000 0.000 1.006 22 S CA -0.083 58.118 58.200 0.001 0.000 0.934 22 S CB -0.185 63.016 63.200 0.002 0.000 0.778 22 S HN 0.354 nan 8.310 nan 0.000 0.517 23 V N 4.291 124.207 119.914 0.003 0.000 2.737 23 V HA 0.223 4.342 4.120 -0.001 0.000 0.320 23 V C -0.480 175.619 176.094 0.008 0.000 1.174 23 V CA -0.887 61.416 62.300 0.005 0.000 1.355 23 V CB -0.433 31.396 31.823 0.009 0.000 1.558 23 V HN 0.516 nan 8.190 nan 0.000 0.618 24 D N 0.619 121.021 120.400 0.004 0.000 2.362 24 D HA 0.085 4.724 4.640 -0.001 0.000 0.242 24 D C 0.786 177.087 176.300 0.001 0.000 1.132 24 D CA -0.510 53.493 54.000 0.004 0.000 0.907 24 D CB 1.885 42.684 40.800 -0.001 0.000 1.195 24 D HN 0.231 nan 8.370 nan 0.000 0.429 25 L N 0.572 121.797 121.223 0.003 0.000 2.718 25 L HA 0.057 4.396 4.340 -0.001 0.000 0.242 25 L C 1.435 178.284 176.870 -0.035 0.000 1.203 25 L CA 0.242 55.075 54.840 -0.012 0.000 1.011 25 L CB -0.465 41.590 42.059 -0.007 0.000 1.250 25 L HN 0.434 nan 8.230 nan 0.000 0.437 26 E N -0.393 119.791 120.200 -0.026 0.000 2.330 26 E HA -0.003 4.346 4.350 -0.001 0.000 0.200 26 E C 1.043 177.624 176.600 -0.032 0.000 0.922 26 E CA 0.249 56.630 56.400 -0.031 0.000 0.935 26 E CB 0.608 30.295 29.700 -0.022 0.000 0.917 26 E HN 0.341 nan 8.360 nan 0.000 0.491 27 E N 0.425 120.609 120.200 -0.028 0.000 2.562 27 E HA 0.064 4.413 4.350 -0.001 0.000 0.214 27 E C 0.360 176.937 176.600 -0.039 0.000 0.979 27 E CA 0.359 56.741 56.400 -0.031 0.000 1.002 27 E CB 1.457 31.143 29.700 -0.023 0.000 1.048 27 E HN 0.170 nan 8.360 nan 0.000 0.488 28 T N -2.501 112.031 114.554 -0.037 0.000 2.865 28 T HA 0.787 5.137 4.350 -0.001 0.000 0.294 28 T C 0.190 174.869 174.700 -0.035 0.000 1.119 28 T CA -0.563 61.513 62.100 -0.041 0.000 1.007 28 T CB 2.595 71.447 68.868 -0.025 0.000 1.225 28 T HN -0.008 nan 8.240 nan 0.000 0.515 29 G N 0.055 108.836 108.800 -0.033 0.000 2.721 29 G HA2 0.717 4.676 3.960 -0.001 0.000 0.296 29 G HA3 0.717 4.676 3.960 -0.001 0.000 0.296 29 G C -1.781 173.140 174.900 0.035 0.000 1.383 29 G CA -1.148 43.953 45.100 0.002 0.000 0.788 29 G HN 0.811 nan 8.290 nan 0.000 0.500 30 R N -0.619 119.937 120.500 0.093 0.000 2.621 30 R HA 0.488 4.827 4.340 -0.001 0.000 0.284 30 R C -0.876 175.488 176.300 0.107 0.000 0.998 30 R CA -0.755 55.397 56.100 0.086 0.000 0.895 30 R CB 2.693 33.036 30.300 0.073 0.000 1.195 30 R HN 0.339 nan 8.270 nan 0.000 0.450 31 V N 5.435 125.416 119.914 0.112 0.000 2.475 31 V HA -0.072 4.047 4.120 -0.001 0.000 0.292 31 V C 1.611 177.753 176.094 0.080 0.000 1.003 31 V CA 0.665 63.040 62.300 0.124 0.000 1.120 31 V CB 0.183 32.097 31.823 0.152 0.000 0.937 31 V HN 0.748 nan 8.190 nan 0.000 0.476 32 L N 3.982 125.251 121.223 0.078 0.000 2.131 32 L HA 0.080 4.420 4.340 -0.001 0.000 0.206 32 L C 0.967 177.855 176.870 0.029 0.000 1.087 32 L CA 1.079 55.945 54.840 0.044 0.000 0.767 32 L CB -0.021 42.069 42.059 0.052 0.000 0.917 32 L HN 0.878 nan 8.230 nan 0.000 0.441 33 S N -1.288 114.433 115.700 0.036 0.000 2.567 33 S HA 0.607 5.077 4.470 -0.001 0.000 0.270 33 S C -1.150 173.458 174.600 0.013 0.000 1.152 33 S CA -0.863 57.347 58.200 0.017 0.000 0.835 33 S CB 2.489 65.694 63.200 0.009 0.000 1.115 33 S HN -0.008 nan 8.310 nan 0.000 0.459 34 I N 0.070 120.636 120.570 -0.007 0.000 2.656 34 I HA 0.899 5.068 4.170 -0.001 0.000 0.292 34 I C -0.480 175.614 176.117 -0.038 0.000 1.144 34 I CA 0.195 61.476 61.300 -0.031 0.000 1.038 34 I CB 1.648 39.615 38.000 -0.054 0.000 1.244 34 I HN 1.384 nan 8.210 nan 0.000 0.420 35 G N 4.424 113.197 108.800 -0.046 0.000 2.691 35 G HA2 0.443 4.402 3.960 -0.001 0.000 0.298 35 G HA3 0.443 4.402 3.960 -0.001 0.000 0.298 35 G C -1.195 173.677 174.900 -0.047 0.000 1.471 35 G CA -0.492 44.583 45.100 -0.042 0.000 0.912 35 G HN 0.693 nan 8.290 nan 0.000 0.553 36 D N -0.045 120.329 120.400 -0.044 0.000 2.811 36 D HA -0.179 4.460 4.640 -0.001 0.000 0.231 36 D C 1.657 177.925 176.300 -0.052 0.000 1.157 36 D CA 2.885 56.859 54.000 -0.042 0.000 0.716 36 D CB -1.108 39.670 40.800 -0.037 0.000 1.077 36 D HN 2.215 nan 8.370 nan 0.000 0.428 37 G N -1.109 107.650 108.800 -0.069 0.000 2.148 37 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.254 37 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.254 37 G C 0.152 174.993 174.900 -0.098 0.000 0.981 37 G CA 0.310 45.357 45.100 -0.089 0.000 0.670 37 G HN 0.475 nan 8.290 nan 0.000 0.528 38 I N 0.870 121.392 120.570 -0.080 0.000 2.418 38 I HA 0.675 4.844 4.170 -0.001 0.000 0.287 38 I C 0.475 176.567 176.117 -0.043 0.000 1.008 38 I CA -1.069 60.194 61.300 -0.063 0.000 1.104 38 I CB 1.260 39.230 38.000 -0.050 0.000 1.264 38 I HN 0.306 nan 8.210 nan 0.000 0.438 39 A N 7.664 130.477 122.820 -0.010 0.000 2.301 39 A HA 0.695 5.014 4.320 -0.001 0.000 0.312 39 A C 0.026 177.652 177.584 0.069 0.000 1.182 39 A CA -0.684 51.382 52.037 0.048 0.000 0.826 39 A CB 0.773 19.881 19.000 0.179 0.000 1.134 39 A HN 0.576 nan 8.150 nan 0.000 0.501 40 R N 2.661 123.199 120.500 0.062 0.000 2.471 40 R HA 0.301 4.640 4.340 -0.001 0.000 0.292 40 R C -0.860 175.490 176.300 0.083 0.000 1.192 40 R CA -0.289 55.845 56.100 0.057 0.000 1.257 40 R CB 0.561 30.884 30.300 0.038 0.000 1.130 40 R HN 0.507 nan 8.270 nan 0.000 0.558 41 V N 3.040 123.007 119.914 0.088 0.000 2.555 41 V HA 0.039 4.159 4.120 -0.001 0.000 0.286 41 V C 0.601 176.745 176.094 0.083 0.000 1.044 41 V CA -0.386 61.967 62.300 0.087 0.000 1.026 41 V CB 0.627 32.474 31.823 0.040 0.000 0.981 41 V HN 0.583 nan 8.190 nan 0.000 0.480 42 H N 2.837 121.913 119.070 0.010 0.000 2.483 42 H HA 0.672 5.227 4.556 -0.001 0.000 0.338 42 H C 0.544 175.869 175.328 -0.006 0.000 1.152 42 H CA 0.964 57.014 56.048 0.003 0.000 1.264 42 H CB 1.325 31.091 29.762 0.006 0.000 1.510 42 H HN 1.007 nan 8.280 nan 0.000 0.530 43 G N 2.447 110.873 108.800 -0.624 0.000 2.520 43 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.248 43 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.248 43 G C 0.012 174.812 174.900 -0.166 0.000 1.161 43 G CA -0.319 44.607 45.100 -0.291 0.000 0.946 43 G HN 1.200 nan 8.290 nan 0.000 0.565 44 L N -0.198 120.966 121.223 -0.098 0.000 3.829 44 L HA -0.226 4.113 4.340 -0.001 0.000 0.440 44 L C 2.290 179.115 176.870 -0.074 0.000 1.192 44 L CA 0.815 55.608 54.840 -0.078 0.000 0.848 44 L CB -0.667 41.347 42.059 -0.074 0.000 1.744 44 L HN 0.614 nan 8.230 nan 0.000 0.920 45 R N 0.406 120.859 120.500 -0.077 0.000 2.159 45 R HA -0.073 4.266 4.340 -0.001 0.000 0.237 45 R C 1.290 177.564 176.300 -0.044 0.000 1.131 45 R CA 1.291 57.352 56.100 -0.064 0.000 0.982 45 R CB -0.288 29.976 30.300 -0.060 0.000 0.868 45 R HN 0.597 nan 8.270 nan 0.000 0.453 46 N N 0.196 118.873 118.700 -0.038 0.000 2.214 46 N HA 0.033 4.773 4.740 -0.001 0.000 0.214 46 N C -0.005 175.490 175.510 -0.025 0.000 1.132 46 N CA -0.010 53.024 53.050 -0.027 0.000 0.856 46 N CB 0.676 39.150 38.487 -0.022 0.000 1.020 46 N HN -0.048 nan 8.380 nan 0.000 0.509 47 V N -0.261 119.635 119.914 -0.030 0.000 3.051 47 V HA 0.161 4.280 4.120 -0.001 0.000 0.306 47 V C 0.446 176.531 176.094 -0.015 0.000 1.083 47 V CA -0.628 61.657 62.300 -0.025 0.000 1.104 47 V CB 0.576 32.381 31.823 -0.030 0.000 1.027 47 V HN 0.067 nan 8.190 nan 0.000 0.483 48 Q N 1.588 121.384 119.800 -0.007 0.000 2.257 48 Q HA 0.705 5.044 4.340 -0.001 0.000 0.262 48 Q C -0.027 175.975 176.000 0.005 0.000 0.997 48 Q CA -0.699 55.103 55.803 -0.000 0.000 0.873 48 Q CB 1.808 30.548 28.738 0.004 0.000 1.312 48 Q HN 1.066 nan 8.270 nan 0.000 0.450 49 A N 1.629 124.453 122.820 0.008 0.000 2.531 49 A HA -0.001 4.318 4.320 -0.001 0.000 0.236 49 A C 0.262 177.858 177.584 0.021 0.000 1.062 49 A CA 0.457 52.502 52.037 0.013 0.000 0.760 49 A CB -0.240 18.770 19.000 0.016 0.000 0.995 49 A HN 0.987 nan 8.150 nan 0.000 0.501 50 E N -1.006 119.211 120.200 0.028 0.000 3.413 50 E HA -0.199 4.150 4.350 -0.001 0.000 0.300 50 E C 0.217 176.848 176.600 0.052 0.000 0.891 50 E CA 1.274 57.700 56.400 0.044 0.000 1.050 50 E CB -1.211 28.509 29.700 0.035 0.000 1.534 50 E HN 0.900 nan 8.360 nan 0.000 0.436 51 E N 0.397 120.621 120.200 0.039 0.000 2.318 51 E HA 0.413 4.762 4.350 -0.001 0.000 0.265 51 E C -0.192 176.444 176.600 0.061 0.000 1.069 51 E CA -0.468 55.957 56.400 0.041 0.000 0.893 51 E CB 0.916 30.627 29.700 0.018 0.000 1.076 51 E HN 0.121 nan 8.360 nan 0.000 0.414 52 M N 3.886 123.530 119.600 0.072 0.000 2.249 52 M HA 0.267 4.747 4.480 -0.001 0.000 0.351 52 M C -0.863 175.461 176.300 0.040 0.000 1.180 52 M CA -0.543 54.818 55.300 0.103 0.000 1.127 52 M CB 1.066 33.746 32.600 0.135 0.000 1.546 52 M HN 0.407 nan 8.290 nan 0.000 0.461 53 V N 1.363 121.286 119.914 0.016 0.000 3.046 53 V HA 0.728 4.847 4.120 -0.001 0.000 0.316 53 V C -1.122 174.906 176.094 -0.110 0.000 1.104 53 V CA -0.788 61.458 62.300 -0.091 0.000 1.006 53 V CB 2.068 33.773 31.823 -0.196 0.000 1.058 53 V HN 0.914 nan 8.190 nan 0.000 0.440 54 E N 1.024 121.110 120.200 -0.191 0.000 2.238 54 E HA 0.603 4.952 4.350 -0.001 0.000 0.267 54 E C -1.799 174.615 176.600 -0.310 0.000 0.887 54 E CA -0.463 55.864 56.400 -0.122 0.000 0.769 54 E CB 2.588 32.273 29.700 -0.024 0.000 1.187 54 E HN 0.609 nan 8.360 nan 0.000 0.416 55 F N 0.708 120.677 119.950 0.031 0.000 2.399 55 F HA 0.113 4.640 4.527 -0.001 0.000 0.328 55 F C 1.657 177.471 175.800 0.023 0.000 1.084 55 F CA -0.275 57.739 58.000 0.024 0.000 1.053 55 F CB 1.601 40.614 39.000 0.022 0.000 1.209 55 F HN 0.466 nan 8.300 nan 0.000 0.502 56 S N -0.082 115.731 115.700 0.189 0.000 2.389 56 S HA -0.258 4.211 4.470 -0.001 0.000 0.231 56 S C 1.690 176.356 174.600 0.110 0.000 1.052 56 S CA 1.767 60.035 58.200 0.113 0.000 1.053 56 S CB -0.788 62.471 63.200 0.098 0.000 0.886 56 S HN 0.682 nan 8.310 nan 0.000 0.456 57 S N 0.873 116.656 115.700 0.139 0.000 2.803 57 S HA 0.397 4.866 4.470 -0.001 0.000 0.226 57 S C 1.517 176.180 174.600 0.104 0.000 0.962 57 S CA 0.352 58.612 58.200 0.101 0.000 0.968 57 S CB -0.681 62.564 63.200 0.075 0.000 0.786 57 S HN 0.974 nan 8.310 nan 0.000 0.527 58 G N 0.175 109.047 108.800 0.119 0.000 2.189 58 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.267 58 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.267 58 G C -0.099 174.883 174.900 0.137 0.000 0.975 58 G CA 0.290 45.453 45.100 0.105 0.000 0.644 58 G HN 0.528 nan 8.290 nan 0.000 0.537 59 L N 0.946 122.282 121.223 0.188 0.000 2.319 59 L HA 0.581 4.920 4.340 -0.001 0.000 0.280 59 L C 0.672 177.762 176.870 0.365 0.000 1.099 59 L CA -0.109 54.861 54.840 0.215 0.000 0.828 59 L CB 0.928 43.061 42.059 0.123 0.000 1.150 59 L HN 0.195 nan 8.230 nan 0.000 0.442 60 K N 1.981 122.576 120.400 0.325 0.000 2.118 60 K HA 0.739 5.058 4.320 -0.001 0.000 0.267 60 K C -0.007 176.862 176.600 0.449 0.000 0.991 60 K CA -0.309 56.201 56.287 0.372 0.000 0.916 60 K CB 1.370 34.068 32.500 0.330 0.000 1.041 60 K HN 0.809 nan 8.250 nan 0.000 0.455 61 G N 0.899 109.918 108.800 0.364 0.000 2.766 61 G HA2 0.630 4.590 3.960 -0.001 0.000 0.288 61 G HA3 0.630 4.590 3.960 -0.001 0.000 0.288 61 G C -1.738 173.172 174.900 0.015 0.000 1.408 61 G CA -0.711 44.448 45.100 0.099 0.000 0.852 61 G HN 0.518 nan 8.290 nan 0.000 0.487 62 M N 0.638 120.140 119.600 -0.163 0.000 2.326 62 M HA 0.517 4.996 4.480 -0.001 0.000 0.292 62 M C -0.775 175.516 176.300 -0.015 0.000 1.081 62 M CA -0.571 54.727 55.300 -0.004 0.000 0.919 62 M CB 2.166 34.803 32.600 0.062 0.000 1.634 62 M HN 0.415 nan 8.290 nan 0.000 0.451 63 S N 4.115 119.824 115.700 0.015 0.000 2.686 63 S HA 0.173 4.643 4.470 -0.001 0.000 0.324 63 S C 0.734 175.339 174.600 0.008 0.000 1.172 63 S CA -0.434 57.769 58.200 0.004 0.000 1.127 63 S CB -0.088 63.113 63.200 0.002 0.000 1.338 63 S HN 0.609 nan 8.310 nan 0.000 0.547 64 L N 3.869 125.090 121.223 -0.003 0.000 2.200 64 L HA 0.346 4.685 4.340 -0.001 0.000 0.200 64 L C 0.523 177.395 176.870 0.003 0.000 1.072 64 L CA 1.193 56.034 54.840 0.001 0.000 0.787 64 L CB -0.731 41.319 42.059 -0.015 0.000 0.957 64 L HN 0.368 nan 8.230 nan 0.000 0.459 65 N N 0.231 118.930 118.700 -0.003 0.000 2.457 65 N HA 0.384 5.123 4.740 -0.001 0.000 0.250 65 N C -0.967 174.542 175.510 -0.002 0.000 0.982 65 N CA 0.049 53.098 53.050 -0.000 0.000 0.941 65 N CB 0.804 39.288 38.487 -0.004 0.000 1.120 65 N HN -0.025 nan 8.380 nan 0.000 0.505 66 L N 1.965 123.187 121.223 -0.001 0.000 2.287 66 L HA 0.391 4.730 4.340 -0.001 0.000 0.280 66 L C 0.478 177.344 176.870 -0.007 0.000 1.055 66 L CA -0.416 54.420 54.840 -0.007 0.000 0.863 66 L CB 0.420 42.474 42.059 -0.007 0.000 1.245 66 L HN 0.343 nan 8.230 nan 0.000 0.432 67 E N 3.226 123.422 120.200 -0.008 0.000 2.250 67 E HA 0.263 4.612 4.350 -0.001 0.000 0.265 67 E C -1.506 175.087 176.600 -0.011 0.000 1.033 67 E CA -1.707 54.690 56.400 -0.006 0.000 0.888 67 E CB 1.235 30.934 29.700 -0.001 0.000 1.151 67 E HN 0.247 nan 8.360 nan 0.000 0.412 68 P HA -0.226 nan 4.420 nan 0.000 0.215 68 P C 0.529 177.820 177.300 -0.014 0.000 1.163 68 P CA 1.578 64.672 63.100 -0.009 0.000 0.894 68 P CB 0.112 31.811 31.700 -0.002 0.000 0.791 69 D N -1.975 118.424 120.400 -0.003 0.000 2.395 69 D HA 0.042 4.681 4.640 -0.001 0.000 0.213 69 D C 0.095 176.399 176.300 0.006 0.000 1.110 69 D CA -0.127 53.876 54.000 0.006 0.000 0.835 69 D CB -0.451 40.372 40.800 0.038 0.000 0.965 69 D HN 0.385 nan 8.370 nan 0.000 0.505 70 N N -1.599 117.097 118.700 -0.007 0.000 3.046 70 N HA 0.363 5.102 4.740 -0.001 0.000 0.243 70 N C -1.965 173.539 175.510 -0.011 0.000 1.452 70 N CA -0.969 52.081 53.050 0.001 0.000 0.882 70 N CB 1.664 40.173 38.487 0.037 0.000 1.425 70 N HN -0.214 nan 8.380 nan 0.000 0.517 71 V N -0.074 119.837 119.914 -0.005 0.000 2.409 71 V HA 0.748 4.868 4.120 -0.001 0.000 0.291 71 V C 0.526 176.625 176.094 0.009 0.000 1.020 71 V CA -0.655 61.641 62.300 -0.007 0.000 0.848 71 V CB 1.213 33.025 31.823 -0.019 0.000 0.990 71 V HN 0.887 nan 8.190 nan 0.000 0.430 72 G N 3.804 112.606 108.800 0.004 0.000 2.356 72 G HA2 0.494 4.453 3.960 -0.001 0.000 0.300 72 G HA3 0.494 4.453 3.960 -0.001 0.000 0.300 72 G C -0.602 174.300 174.900 0.004 0.000 1.107 72 G CA -0.159 44.944 45.100 0.004 0.000 0.960 72 G HN 0.534 nan 8.290 nan 0.000 0.418 73 V N 3.818 123.748 119.914 0.027 0.000 2.398 73 V HA 0.237 4.357 4.120 -0.001 0.000 0.286 73 V C 0.292 176.379 176.094 -0.012 0.000 1.026 73 V CA -0.746 61.576 62.300 0.036 0.000 0.868 73 V CB 1.657 33.570 31.823 0.150 0.000 0.982 73 V HN 0.476 nan 8.190 nan 0.000 0.443 74 V N 6.010 125.865 119.914 -0.099 0.000 2.498 74 V HA 0.286 4.405 4.120 -0.001 0.000 0.279 74 V C 0.065 175.971 176.094 -0.313 0.000 1.048 74 V CA -0.214 61.967 62.300 -0.198 0.000 0.967 74 V CB 1.838 33.528 31.823 -0.221 0.000 0.988 74 V HN 0.634 nan 8.190 nan 0.000 0.473 75 V N 6.033 125.785 119.914 -0.271 0.000 2.370 75 V HA 0.332 4.451 4.120 -0.001 0.000 0.279 75 V C -0.095 175.875 176.094 -0.208 0.000 1.029 75 V CA -0.462 61.684 62.300 -0.257 0.000 0.870 75 V CB 1.132 32.803 31.823 -0.253 0.000 0.984 75 V HN 0.694 nan 8.190 nan 0.000 0.451 76 F N 4.494 124.487 119.950 0.071 0.000 2.666 76 F HA 0.606 5.133 4.527 -0.001 0.000 0.362 76 F C 1.170 176.995 175.800 0.042 0.000 1.190 76 F CA 0.118 58.160 58.000 0.071 0.000 1.328 76 F CB -0.264 38.791 39.000 0.091 0.000 1.682 76 F HN 0.725 nan 8.300 nan 0.000 0.623 77 G N 0.241 109.124 108.800 0.138 0.000 2.343 77 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.289 77 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.289 77 G C -1.468 173.438 174.900 0.011 0.000 1.295 77 G CA -1.279 43.869 45.100 0.080 0.000 0.869 77 G HN 0.048 nan 8.290 nan 0.000 0.522 78 N N 1.544 120.245 118.700 0.002 0.000 2.427 78 N HA 0.064 4.803 4.740 -0.001 0.000 0.269 78 N C 1.189 176.660 175.510 -0.065 0.000 1.235 78 N CA 0.507 53.544 53.050 -0.022 0.000 0.934 78 N CB 0.730 39.212 38.487 -0.009 0.000 1.121 78 N HN 0.602 nan 8.380 nan 0.000 0.480 79 D N 3.320 123.666 120.400 -0.089 0.000 2.392 79 D HA -0.179 4.460 4.640 -0.001 0.000 0.228 79 D C 1.107 177.346 176.300 -0.102 0.000 1.003 79 D CA 0.384 54.300 54.000 -0.139 0.000 0.917 79 D CB 0.090 40.803 40.800 -0.146 0.000 0.890 79 D HN 0.705 nan 8.370 nan 0.000 0.532 80 K N 1.104 121.466 120.400 -0.064 0.000 2.211 80 K HA -0.108 4.211 4.320 -0.001 0.000 0.203 80 K C 1.856 178.430 176.600 -0.043 0.000 1.050 80 K CA 0.612 56.872 56.287 -0.044 0.000 0.945 80 K CB -0.354 32.130 32.500 -0.026 0.000 0.732 80 K HN 0.197 nan 8.250 nan 0.000 0.451 81 L N 1.234 122.426 121.223 -0.051 0.000 2.591 81 L HA 0.252 4.591 4.340 -0.001 0.000 0.228 81 L C 0.461 177.303 176.870 -0.046 0.000 1.133 81 L CA -0.101 54.718 54.840 -0.035 0.000 0.880 81 L CB -0.097 41.949 42.059 -0.021 0.000 1.033 81 L HN 0.108 nan 8.230 nan 0.000 0.450 82 I N 0.177 120.693 120.570 -0.090 0.000 2.377 82 I HA 0.287 4.456 4.170 -0.001 0.000 0.293 82 I C -0.140 175.949 176.117 -0.047 0.000 0.987 82 I CA -0.257 60.985 61.300 -0.097 0.000 1.185 82 I CB 1.392 39.231 38.000 -0.269 0.000 1.341 82 I HN 0.020 nan 8.210 nan 0.000 0.455 83 K N 4.425 124.824 120.400 -0.001 0.000 2.444 83 K HA 0.405 4.724 4.320 -0.001 0.000 0.252 83 K C -0.824 175.791 176.600 0.026 0.000 0.993 83 K CA -1.015 55.276 56.287 0.005 0.000 0.847 83 K CB 2.014 34.519 32.500 0.009 0.000 1.340 83 K HN 0.519 nan 8.250 nan 0.000 0.446 84 E N 0.212 120.422 120.200 0.017 0.000 2.442 84 E HA -0.015 4.334 4.350 -0.001 0.000 0.262 84 E C 0.533 177.151 176.600 0.030 0.000 1.004 84 E CA 1.436 57.850 56.400 0.024 0.000 0.928 84 E CB 0.119 29.825 29.700 0.010 0.000 0.937 84 E HN 0.752 nan 8.360 nan 0.000 0.446 85 G N 3.893 112.716 108.800 0.039 0.000 2.284 85 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.230 85 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.230 85 G C -0.062 174.871 174.900 0.054 0.000 1.021 85 G CA 0.098 45.219 45.100 0.035 0.000 0.619 85 G HN 0.687 nan 8.290 nan 0.000 0.510 86 D N 0.630 121.076 120.400 0.077 0.000 2.474 86 D HA 0.327 4.966 4.640 -0.001 0.000 0.232 86 D C 0.665 177.019 176.300 0.091 0.000 1.177 86 D CA 0.249 54.309 54.000 0.100 0.000 0.876 86 D CB 0.510 41.408 40.800 0.162 0.000 1.208 86 D HN 0.286 nan 8.370 nan 0.000 0.464 87 I N 1.411 122.021 120.570 0.066 0.000 2.428 87 I HA 0.134 4.304 4.170 -0.001 0.000 0.289 87 I C -0.392 175.711 176.117 -0.024 0.000 1.019 87 I CA -0.184 61.130 61.300 0.023 0.000 1.351 87 I CB 1.279 39.287 38.000 0.013 0.000 1.412 87 I HN 0.016 nan 8.210 nan 0.000 0.513 88 V N 6.774 126.627 119.914 -0.101 0.000 2.540 88 V HA 0.502 4.622 4.120 -0.001 0.000 0.302 88 V C -0.294 175.686 176.094 -0.190 0.000 1.035 88 V CA -1.017 61.112 62.300 -0.286 0.000 0.873 88 V CB 1.616 33.178 31.823 -0.435 0.000 0.992 88 V HN 0.554 nan 8.190 nan 0.000 0.428 89 K N 3.675 123.958 120.400 -0.195 0.000 2.270 89 K HA 0.627 4.946 4.320 -0.001 0.000 0.255 89 K C -0.266 176.269 176.600 -0.109 0.000 0.936 89 K CA -0.870 55.349 56.287 -0.114 0.000 0.809 89 K CB 2.610 35.066 32.500 -0.072 0.000 1.131 89 K HN 0.590 nan 8.250 nan 0.000 0.427 90 R N 0.229 120.684 120.500 -0.075 0.000 2.893 90 R HA 0.072 4.411 4.340 -0.001 0.000 0.279 90 R C 0.633 176.911 176.300 -0.037 0.000 1.076 90 R CA 0.146 56.212 56.100 -0.056 0.000 1.203 90 R CB 0.223 30.500 30.300 -0.039 0.000 1.137 90 R HN 0.568 nan 8.270 nan 0.000 0.541 91 T N -0.996 113.546 114.554 -0.020 0.000 2.969 91 T HA 0.170 4.519 4.350 -0.001 0.000 0.258 91 T C 1.011 175.710 174.700 -0.001 0.000 0.962 91 T CA 0.397 62.494 62.100 -0.006 0.000 0.903 91 T CB 0.705 69.578 68.868 0.008 0.000 1.177 91 T HN 0.895 nan 8.240 nan 0.000 0.511 92 G N 1.889 110.687 108.800 -0.004 0.000 2.189 92 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.267 92 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.267 92 G C 0.204 175.107 174.900 0.006 0.000 0.975 92 G CA 0.244 45.343 45.100 -0.001 0.000 0.644 92 G HN 0.958 nan 8.290 nan 0.000 0.537 93 A N 0.694 123.521 122.820 0.011 0.000 2.318 93 A HA 0.751 5.071 4.320 -0.001 0.000 0.324 93 A C 0.422 178.022 177.584 0.026 0.000 1.170 93 A CA -0.722 51.325 52.037 0.017 0.000 0.810 93 A CB 0.824 19.834 19.000 0.016 0.000 1.198 93 A HN 0.512 nan 8.150 nan 0.000 0.484 94 I N 2.630 123.214 120.570 0.024 0.000 2.648 94 I HA 0.023 4.192 4.170 -0.001 0.000 0.284 94 I C 0.611 176.750 176.117 0.036 0.000 1.153 94 I CA 0.093 61.411 61.300 0.031 0.000 1.426 94 I CB 0.763 38.776 38.000 0.023 0.000 1.381 94 I HN 0.382 nan 8.210 nan 0.000 0.571 95 V N 6.804 126.750 119.914 0.055 0.000 2.678 95 V HA -0.139 3.980 4.120 -0.001 0.000 0.304 95 V C 0.282 176.387 176.094 0.017 0.000 1.086 95 V CA 0.624 62.956 62.300 0.052 0.000 1.246 95 V CB -0.542 31.334 31.823 0.090 0.000 0.861 95 V HN 0.973 nan 8.190 nan 0.000 0.491 96 D N 3.512 123.912 120.400 0.001 0.000 2.812 96 D HA 0.794 5.433 4.640 -0.001 0.000 0.318 96 D C -0.644 175.641 176.300 -0.024 0.000 1.234 96 D CA -0.343 53.654 54.000 -0.006 0.000 0.989 96 D CB 2.061 42.862 40.800 0.002 0.000 1.442 96 D HN 0.667 nan 8.370 nan 0.000 0.537 97 V N -6.113 113.789 119.914 -0.019 0.000 3.225 97 V HA 0.627 4.746 4.120 -0.001 0.000 0.293 97 V C -3.009 173.067 176.094 -0.030 0.000 1.405 97 V CA -2.010 60.273 62.300 -0.030 0.000 1.038 97 V CB 1.361 33.165 31.823 -0.032 0.000 1.123 97 V HN 0.575 nan 8.190 nan 0.000 0.447 98 P HA 0.270 nan 4.420 nan 0.000 0.266 98 P C -0.608 176.646 177.300 -0.078 0.000 1.186 98 P CA 0.402 63.467 63.100 -0.058 0.000 0.767 98 P CB 0.787 32.453 31.700 -0.057 0.000 0.820 99 V N 1.198 121.031 119.914 -0.135 0.000 3.147 99 V HA 0.826 4.945 4.120 -0.001 0.000 0.306 99 V C 0.150 175.942 176.094 -0.502 0.000 1.209 99 V CA 0.451 62.622 62.300 -0.215 0.000 1.023 99 V CB 2.125 33.887 31.823 -0.101 0.000 1.059 99 V HN 1.038 nan 8.190 nan 0.000 0.435 100 G N 2.555 110.802 108.800 -0.921 0.000 2.423 100 G HA2 -0.050 3.909 3.960 -0.001 0.000 0.684 100 G HA3 -0.050 3.909 3.960 -0.001 0.000 0.684 100 G C 0.040 174.465 174.900 -0.792 0.000 1.309 100 G CA 0.160 44.337 45.100 -1.538 0.000 0.950 100 G HN 0.769 nan 8.290 nan 0.000 0.587 101 E N -0.248 119.571 120.200 -0.635 0.000 2.267 101 E HA -0.085 4.264 4.350 -0.001 0.000 0.197 101 E C 2.138 178.673 176.600 -0.109 0.000 0.998 101 E CA 1.783 58.053 56.400 -0.217 0.000 0.830 101 E CB 0.023 29.650 29.700 -0.122 0.000 0.751 101 E HN 0.550 nan 8.360 nan 0.000 0.491 102 E N -0.087 120.022 120.200 -0.152 0.000 2.153 102 E HA -0.165 4.184 4.350 -0.001 0.000 0.194 102 E C 1.700 178.271 176.600 -0.047 0.000 0.988 102 E CA 0.720 57.070 56.400 -0.083 0.000 0.811 102 E CB -0.052 29.594 29.700 -0.090 0.000 0.746 102 E HN 0.277 nan 8.360 nan 0.000 0.466 103 L N 0.262 121.454 121.223 -0.053 0.000 2.217 103 L HA -0.029 4.310 4.340 -0.001 0.000 0.211 103 L C 0.534 177.422 176.870 0.031 0.000 1.107 103 L CA 0.077 54.911 54.840 -0.009 0.000 0.783 103 L CB -0.501 41.553 42.059 -0.008 0.000 0.919 103 L HN 0.075 nan 8.230 nan 0.000 0.442 104 L N 0.525 121.786 121.223 0.064 0.000 2.573 104 L HA -0.003 4.336 4.340 -0.001 0.000 0.290 104 L C 1.531 178.428 176.870 0.046 0.000 1.247 104 L CA 0.761 55.653 54.840 0.086 0.000 0.876 104 L CB -0.515 41.628 42.059 0.139 0.000 1.123 104 L HN 0.388 nan 8.230 nan 0.000 0.505 105 G N 1.724 110.537 108.800 0.022 0.000 2.168 105 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.263 105 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.263 105 G C 0.362 175.259 174.900 -0.004 0.000 0.977 105 G CA 0.018 45.115 45.100 -0.005 0.000 0.659 105 G HN 0.602 nan 8.290 nan 0.000 0.533 106 R N -0.800 119.704 120.500 0.006 0.000 2.778 106 R HA 0.603 4.942 4.340 -0.001 0.000 0.277 106 R C -0.627 175.678 176.300 0.009 0.000 0.977 106 R CA -0.801 55.302 56.100 0.004 0.000 0.950 106 R CB 2.279 32.581 30.300 0.003 0.000 1.165 106 R HN 0.102 nan 8.270 nan 0.000 0.474 107 V N 3.301 123.221 119.914 0.009 0.000 2.311 107 V HA 0.225 4.344 4.120 -0.001 0.000 0.275 107 V C 0.324 176.428 176.094 0.016 0.000 1.022 107 V CA -0.671 61.640 62.300 0.017 0.000 0.830 107 V CB 0.988 32.821 31.823 0.017 0.000 1.012 107 V HN 0.546 nan 8.190 nan 0.000 0.452 108 V N 1.520 121.445 119.914 0.018 0.000 2.975 108 V HA 0.789 4.908 4.120 -0.001 0.000 0.318 108 V C -0.013 176.087 176.094 0.011 0.000 1.077 108 V CA -0.818 61.488 62.300 0.010 0.000 1.000 108 V CB 1.961 33.785 31.823 0.003 0.000 1.066 108 V HN 0.751 nan 8.190 nan 0.000 0.452 109 D N 2.010 122.412 120.400 0.004 0.000 2.478 109 D HA 0.431 5.070 4.640 -0.001 0.000 0.274 109 D C 1.114 177.407 176.300 -0.013 0.000 1.234 109 D CA -0.045 53.957 54.000 0.003 0.000 1.069 109 D CB 0.904 41.707 40.800 0.005 0.000 1.113 109 D HN 0.793 nan 8.370 nan 0.000 0.571 110 A N -0.952 121.855 122.820 -0.021 0.000 2.216 110 A HA 0.030 4.349 4.320 -0.001 0.000 0.214 110 A C 2.012 179.536 177.584 -0.100 0.000 1.160 110 A CA 0.687 52.694 52.037 -0.049 0.000 0.725 110 A CB -0.763 18.215 19.000 -0.038 0.000 0.784 110 A HN 0.502 nan 8.150 nan 0.000 0.472 111 L N -2.668 118.493 121.223 -0.103 0.000 2.664 111 L HA 0.328 4.667 4.340 -0.001 0.000 0.233 111 L C 1.665 178.491 176.870 -0.073 0.000 1.113 111 L CA 0.609 55.372 54.840 -0.130 0.000 0.896 111 L CB 0.455 42.414 42.059 -0.167 0.000 1.163 111 L HN 0.498 nan 8.230 nan 0.000 0.497 112 G N -0.733 108.040 108.800 -0.046 0.000 2.352 112 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.204 112 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.204 112 G C 0.186 175.073 174.900 -0.022 0.000 1.004 112 G CA -0.576 44.505 45.100 -0.032 0.000 0.648 112 G HN 0.244 nan 8.290 nan 0.000 0.491 113 N N 1.975 120.664 118.700 -0.020 0.000 2.356 113 N HA 0.420 5.159 4.740 -0.001 0.000 0.252 113 N C 0.742 176.249 175.510 -0.004 0.000 1.241 113 N CA 0.919 53.964 53.050 -0.009 0.000 0.861 113 N CB 0.957 39.442 38.487 -0.004 0.000 1.075 113 N HN 0.866 nan 8.380 nan 0.000 0.461 114 A N 1.919 124.737 122.820 -0.003 0.000 2.386 114 A HA 0.326 4.646 4.320 -0.001 0.000 0.248 114 A C 1.323 178.910 177.584 0.005 0.000 1.082 114 A CA -0.307 51.731 52.037 0.001 0.000 0.789 114 A CB -0.084 18.915 19.000 -0.001 0.000 1.025 114 A HN 0.827 nan 8.150 nan 0.000 0.490 115 I N -1.948 118.627 120.570 0.008 0.000 4.310 115 I HA 0.258 4.427 4.170 -0.001 0.000 0.328 115 I C -0.095 176.028 176.117 0.009 0.000 1.406 115 I CA -0.025 61.282 61.300 0.011 0.000 1.174 115 I CB 0.481 38.491 38.000 0.016 0.000 1.279 115 I HN 0.437 nan 8.210 nan 0.000 0.471 116 D N 1.141 121.544 120.400 0.006 0.000 2.342 116 D HA 0.150 4.789 4.640 -0.001 0.000 0.221 116 D C 1.575 177.876 176.300 0.002 0.000 1.101 116 D CA 0.218 54.220 54.000 0.003 0.000 0.837 116 D CB -0.095 40.705 40.800 0.000 0.000 0.938 116 D HN 0.382 nan 8.370 nan 0.000 0.508 117 G N 1.194 109.997 108.800 0.004 0.000 2.449 117 G HA2 -0.390 3.569 3.960 -0.001 0.000 0.304 117 G HA3 -0.390 3.569 3.960 -0.001 0.000 0.304 117 G C 0.616 175.517 174.900 0.001 0.000 0.962 117 G CA 0.561 45.663 45.100 0.003 0.000 0.943 117 G HN 0.461 nan 8.290 nan 0.000 0.514 118 K N -0.043 120.357 120.400 0.000 0.000 2.576 118 K HA 0.469 4.788 4.320 -0.001 0.000 0.209 118 K C 1.193 177.792 176.600 -0.001 0.000 1.049 118 K CA 0.330 56.617 56.287 -0.001 0.000 1.140 118 K CB 0.176 32.675 32.500 -0.002 0.000 0.871 118 K HN 1.305 nan 8.250 nan 0.000 0.479 119 G N 2.112 110.912 108.800 -0.001 0.000 2.699 119 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.686 119 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.686 119 G C -2.883 172.015 174.900 -0.004 0.000 1.301 119 G CA -1.333 43.766 45.100 -0.002 0.000 0.816 119 G HN 0.008 nan 8.290 nan 0.000 0.595 120 P HA 0.429 nan 4.420 nan 0.000 0.270 120 P C 0.450 177.743 177.300 -0.012 0.000 1.223 120 P CA -0.456 62.640 63.100 -0.008 0.000 0.785 120 P CB 0.404 32.100 31.700 -0.008 0.000 0.923 121 I N 0.845 121.405 120.570 -0.017 0.000 2.474 121 I HA 0.165 4.335 4.170 -0.001 0.000 0.287 121 I C 1.491 177.590 176.117 -0.031 0.000 1.048 121 I CA 0.005 61.290 61.300 -0.025 0.000 1.383 121 I CB 0.379 38.360 38.000 -0.032 0.000 1.412 121 I HN 0.461 nan 8.210 nan 0.000 0.531 122 G N 4.652 113.431 108.800 -0.035 0.000 3.541 122 G HA2 0.164 4.123 3.960 -0.001 0.000 0.253 122 G HA3 0.164 4.123 3.960 -0.001 0.000 0.253 122 G C 0.346 175.215 174.900 -0.052 0.000 1.017 122 G CA -0.208 44.871 45.100 -0.036 0.000 1.832 122 G HN 0.556 nan 8.290 nan 0.000 0.649 123 S N -0.108 115.558 115.700 -0.058 0.000 2.531 123 S HA 0.188 4.657 4.470 -0.001 0.000 0.279 123 S C 1.077 175.640 174.600 -0.063 0.000 1.305 123 S CA -0.157 57.997 58.200 -0.078 0.000 1.058 123 S CB 1.405 64.557 63.200 -0.080 0.000 0.899 123 S HN 0.582 nan 8.310 nan 0.000 0.493 124 K N 1.228 121.584 120.400 -0.073 0.000 2.391 124 K HA 0.336 4.655 4.320 -0.001 0.000 0.197 124 K C 0.333 176.908 176.600 -0.042 0.000 1.087 124 K CA 0.006 56.264 56.287 -0.048 0.000 1.012 124 K CB 0.699 33.176 32.500 -0.038 0.000 0.925 124 K HN 0.546 nan 8.250 nan 0.000 0.547 125 A N 1.541 124.321 122.820 -0.066 0.000 2.356 125 A HA 0.712 5.031 4.320 -0.001 0.000 0.323 125 A C -0.775 176.781 177.584 -0.047 0.000 1.119 125 A CA -0.689 51.323 52.037 -0.041 0.000 0.790 125 A CB 1.113 20.095 19.000 -0.030 0.000 1.273 125 A HN 0.074 nan 8.150 nan 0.000 0.452 126 R N -0.627 119.863 120.500 -0.018 0.000 2.867 126 R HA 0.793 5.132 4.340 -0.001 0.000 0.268 126 R C -1.025 175.278 176.300 0.006 0.000 1.014 126 R CA -0.907 55.184 56.100 -0.015 0.000 0.946 126 R CB 2.355 32.648 30.300 -0.011 0.000 1.208 126 R HN 0.749 nan 8.270 nan 0.000 0.477 127 R N 0.390 120.894 120.500 0.008 0.000 2.561 127 R HA 0.262 4.601 4.340 -0.001 0.000 0.266 127 R C -1.355 174.956 176.300 0.018 0.000 1.091 127 R CA -0.638 55.475 56.100 0.023 0.000 0.927 127 R CB 1.429 31.752 30.300 0.038 0.000 1.240 127 R HN 0.486 nan 8.270 nan 0.000 0.449 128 R N 2.433 122.945 120.500 0.020 0.000 2.489 128 R HA 0.048 4.387 4.340 -0.001 0.000 0.287 128 R C 1.332 177.644 176.300 0.019 0.000 1.053 128 R CA 0.443 56.553 56.100 0.016 0.000 1.036 128 R CB 0.738 31.047 30.300 0.015 0.000 0.966 128 R HN 0.618 nan 8.270 nan 0.000 0.432 129 V N 1.261 121.181 119.914 0.011 0.000 2.515 129 V HA -0.006 4.113 4.120 -0.001 0.000 0.250 129 V C 1.033 177.144 176.094 0.028 0.000 1.058 129 V CA 1.587 63.904 62.300 0.028 0.000 1.064 129 V CB -0.380 31.451 31.823 0.013 0.000 0.675 129 V HN 0.774 nan 8.190 nan 0.000 0.461 130 G N 1.267 110.050 108.800 -0.027 0.000 3.288 130 G HA2 0.634 4.593 3.960 -0.001 0.000 0.337 130 G HA3 0.634 4.593 3.960 -0.001 0.000 0.337 130 G C -0.720 174.169 174.900 -0.018 0.000 1.142 130 G CA -0.414 44.648 45.100 -0.063 0.000 1.304 130 G HN 0.369 nan 8.290 nan 0.000 0.475 131 L N 1.042 122.273 121.223 0.014 0.000 2.346 131 L HA 0.474 4.814 4.340 -0.001 0.000 0.276 131 L C 0.562 177.447 176.870 0.025 0.000 1.006 131 L CA -1.034 53.818 54.840 0.020 0.000 0.817 131 L CB 2.417 44.493 42.059 0.029 0.000 1.272 131 L HN 0.248 nan 8.230 nan 0.000 0.421 132 K N 1.579 121.994 120.400 0.025 0.000 2.380 132 K HA 0.369 4.689 4.320 -0.001 0.000 0.267 132 K C -0.023 176.590 176.600 0.022 0.000 0.990 132 K CA -0.212 56.093 56.287 0.031 0.000 0.946 132 K CB 0.831 33.352 32.500 0.035 0.000 0.937 132 K HN 0.697 nan 8.250 nan 0.000 0.491 133 A N 4.809 127.640 122.820 0.019 0.000 2.407 133 A HA 0.267 4.586 4.320 -0.001 0.000 0.248 133 A C -2.110 175.466 177.584 -0.014 0.000 1.082 133 A CA -1.285 50.755 52.037 0.005 0.000 0.785 133 A CB -0.339 18.664 19.000 0.005 0.000 1.020 133 A HN 0.605 nan 8.150 nan 0.000 0.489 134 P HA 0.080 nan 4.420 nan 0.000 0.264 134 P C 0.728 177.981 177.300 -0.077 0.000 1.183 134 P CA 0.606 63.656 63.100 -0.083 0.000 0.763 134 P CB 0.246 31.862 31.700 -0.141 0.000 0.807 135 G N 1.849 110.600 108.800 -0.081 0.000 2.479 135 G HA2 0.089 4.048 3.960 -0.001 0.000 0.275 135 G HA3 0.089 4.048 3.960 -0.001 0.000 0.275 135 G C 1.234 176.092 174.900 -0.071 0.000 1.421 135 G CA -0.610 44.455 45.100 -0.058 0.000 1.059 135 G HN 0.434 nan 8.290 nan 0.000 0.535 136 I N -0.213 120.330 120.570 -0.045 0.000 2.142 136 I HA -0.138 4.031 4.170 -0.001 0.000 0.240 136 I C 2.653 178.741 176.117 -0.048 0.000 1.078 136 I CA 0.707 61.985 61.300 -0.036 0.000 1.343 136 I CB -0.186 37.806 38.000 -0.014 0.000 1.046 136 I HN 0.239 nan 8.210 nan 0.000 0.405 137 I N 1.184 121.728 120.570 -0.043 0.000 2.163 137 I HA -0.164 4.005 4.170 -0.001 0.000 0.243 137 I C -0.316 175.753 176.117 -0.080 0.000 1.085 137 I CA 1.760 63.047 61.300 -0.022 0.000 1.347 137 I CB -2.721 35.296 38.000 0.029 0.000 1.044 137 I HN 0.191 nan 8.210 nan 0.000 0.408 138 P HA -0.033 nan 4.420 nan 0.000 0.239 138 P C 0.068 177.130 177.300 -0.395 0.000 1.184 138 P CA 0.770 63.419 63.100 -0.751 0.000 0.760 138 P CB 0.039 31.002 31.700 -1.228 0.000 0.884 139 R N -0.595 119.803 120.500 -0.170 0.000 2.923 139 R HA 0.757 5.096 4.340 -0.001 0.000 0.252 139 R C -0.771 175.515 176.300 -0.023 0.000 1.130 139 R CA -1.103 54.944 56.100 -0.088 0.000 1.043 139 R CB 1.151 31.407 30.300 -0.074 0.000 1.205 139 R HN -0.155 nan 8.270 nan 0.000 0.495 140 I N -0.507 120.059 120.570 -0.006 0.000 2.686 140 I HA 0.239 4.408 4.170 -0.001 0.000 0.295 140 I C -0.673 175.443 176.117 -0.002 0.000 1.114 140 I CA -0.244 61.061 61.300 0.008 0.000 1.038 140 I CB 2.543 40.559 38.000 0.026 0.000 1.238 140 I HN 0.598 nan 8.210 nan 0.000 0.420 141 S N 3.994 119.693 115.700 -0.002 0.000 2.571 141 S HA 0.106 4.576 4.470 -0.001 0.000 0.298 141 S C -0.130 174.462 174.600 -0.013 0.000 1.280 141 S CA -0.390 57.806 58.200 -0.007 0.000 1.052 141 S CB 0.109 63.307 63.200 -0.005 0.000 0.799 141 S HN 0.462 nan 8.310 nan 0.000 0.501 142 V N 4.916 124.818 119.914 -0.020 0.000 2.493 142 V HA 0.065 4.184 4.120 -0.001 0.000 0.292 142 V C 1.110 177.183 176.094 -0.034 0.000 1.016 142 V CA 0.813 63.093 62.300 -0.033 0.000 1.097 142 V CB 0.347 32.149 31.823 -0.035 0.000 0.947 142 V HN 0.839 nan 8.190 nan 0.000 0.479 143 R N 1.806 122.280 120.500 -0.044 0.000 2.576 143 R HA 0.209 4.548 4.340 -0.001 0.000 0.237 143 R C 0.035 176.301 176.300 -0.057 0.000 0.917 143 R CA -0.209 55.867 56.100 -0.040 0.000 1.002 143 R CB 0.633 30.917 30.300 -0.026 0.000 1.428 143 R HN 0.729 nan 8.270 nan 0.000 0.603 144 E N 3.174 123.323 120.200 -0.085 0.000 2.259 144 E HA 0.211 4.560 4.350 -0.001 0.000 0.281 144 E C -2.458 174.062 176.600 -0.132 0.000 1.027 144 E CA -2.334 53.998 56.400 -0.114 0.000 0.838 144 E CB 0.691 30.294 29.700 -0.163 0.000 1.066 144 E HN -0.111 nan 8.360 nan 0.000 0.401 145 P HA -0.025 nan 4.420 nan 0.000 0.270 145 P C -0.533 176.665 177.300 -0.170 0.000 1.223 145 P CA -0.098 62.932 63.100 -0.116 0.000 0.785 145 P CB 0.445 32.090 31.700 -0.092 0.000 0.923 146 M N 2.076 121.594 119.600 -0.137 0.000 1.980 146 M HA 0.154 4.633 4.480 -0.001 0.000 0.282 146 M C -1.072 175.180 176.300 -0.080 0.000 0.878 146 M CA -0.586 54.627 55.300 -0.145 0.000 0.900 146 M CB 0.630 33.158 32.600 -0.120 0.000 1.577 146 M HN 0.270 nan 8.290 nan 0.000 0.396 147 Q N 2.315 122.075 119.800 -0.066 0.000 2.296 147 Q HA 0.242 4.582 4.340 -0.001 0.000 0.262 147 Q C 1.184 177.219 176.000 0.059 0.000 0.981 147 Q CA 0.152 55.971 55.803 0.025 0.000 0.905 147 Q CB 0.834 29.638 28.738 0.109 0.000 1.186 147 Q HN 0.787 nan 8.270 nan 0.000 0.399 148 T N -1.149 113.427 114.554 0.037 0.000 2.894 148 T HA 0.134 4.483 4.350 -0.001 0.000 0.258 148 T C 1.229 175.953 174.700 0.041 0.000 1.043 148 T CA 0.814 62.935 62.100 0.034 0.000 1.141 148 T CB 0.075 68.952 68.868 0.015 0.000 0.873 148 T HN 0.820 nan 8.240 nan 0.000 0.449 149 G N 1.303 110.125 108.800 0.037 0.000 2.192 149 G HA2 -0.104 3.855 3.960 -0.001 0.000 0.193 149 G HA3 -0.104 3.855 3.960 -0.001 0.000 0.193 149 G C -0.008 174.898 174.900 0.009 0.000 0.999 149 G CA -0.168 44.947 45.100 0.025 0.000 0.659 149 G HN 0.647 nan 8.290 nan 0.000 0.503 150 I N 1.744 122.318 120.570 0.007 0.000 2.328 150 I HA 0.277 4.446 4.170 -0.001 0.000 0.287 150 I C 1.537 177.656 176.117 0.005 0.000 1.012 150 I CA -0.878 60.421 61.300 -0.002 0.000 1.195 150 I CB 1.326 39.321 38.000 -0.009 0.000 1.350 150 I HN 0.001 nan 8.210 nan 0.000 0.464 151 K N 4.550 124.953 120.400 0.005 0.000 2.000 151 K HA -0.268 4.051 4.320 -0.001 0.000 0.218 151 K C 2.159 178.765 176.600 0.011 0.000 1.053 151 K CA 1.964 58.258 56.287 0.011 0.000 0.946 151 K CB -0.387 32.120 32.500 0.013 0.000 0.723 151 K HN 0.779 nan 8.250 nan 0.000 0.446 152 A N 1.181 124.006 122.820 0.007 0.000 1.915 152 A HA -0.226 4.093 4.320 -0.001 0.000 0.220 152 A C 2.492 180.084 177.584 0.013 0.000 1.198 152 A CA 2.299 54.342 52.037 0.010 0.000 0.647 152 A CB -0.977 18.026 19.000 0.005 0.000 0.825 152 A HN 0.149 nan 8.150 nan 0.000 0.456 153 V N 0.082 120.003 119.914 0.010 0.000 2.256 153 V HA -0.155 3.964 4.120 -0.001 0.000 0.240 153 V C 2.067 178.167 176.094 0.011 0.000 1.036 153 V CA 2.062 64.369 62.300 0.012 0.000 1.008 153 V CB -0.792 31.036 31.823 0.009 0.000 0.648 153 V HN 0.506 nan 8.190 nan 0.000 0.453 154 D N 0.447 120.853 120.400 0.011 0.000 2.311 154 D HA -0.114 4.526 4.640 -0.001 0.000 0.212 154 D C 2.262 178.569 176.300 0.012 0.000 0.972 154 D CA 1.676 55.682 54.000 0.010 0.000 0.887 154 D CB -0.048 40.761 40.800 0.015 0.000 0.915 154 D HN 0.622 nan 8.370 nan 0.000 0.497 155 S N -0.948 114.761 115.700 0.014 0.000 2.460 155 S HA 0.102 4.572 4.470 -0.001 0.000 0.226 155 S C 2.006 176.614 174.600 0.014 0.000 1.057 155 S CA -0.088 58.121 58.200 0.015 0.000 0.948 155 S CB -0.107 63.103 63.200 0.017 0.000 0.822 155 S HN 0.158 nan 8.310 nan 0.000 0.512 156 L N 1.463 122.696 121.223 0.016 0.000 2.316 156 L HA 0.337 4.676 4.340 -0.001 0.000 0.207 156 L C 0.357 177.239 176.870 0.019 0.000 1.070 156 L CA 0.169 55.020 54.840 0.019 0.000 0.820 156 L CB 0.315 42.389 42.059 0.025 0.000 0.992 156 L HN 0.333 nan 8.230 nan 0.000 0.466 157 V N -2.528 117.397 119.914 0.018 0.000 2.384 157 V HA 0.427 4.546 4.120 -0.001 0.000 0.257 157 V C -2.695 173.405 176.094 0.009 0.000 0.969 157 V CA -2.053 60.257 62.300 0.017 0.000 0.910 157 V CB -0.178 31.660 31.823 0.025 0.000 1.150 157 V HN -0.102 nan 8.190 nan 0.000 0.481 158 P HA 0.246 nan 4.420 nan 0.000 0.265 158 P C -0.369 176.925 177.300 -0.011 0.000 1.187 158 P CA 0.660 63.758 63.100 -0.004 0.000 0.766 158 P CB 0.941 32.637 31.700 -0.006 0.000 0.820 159 I N 1.845 122.403 120.570 -0.020 0.000 2.436 159 I HA 0.481 4.651 4.170 -0.001 0.000 0.289 159 I C 0.979 177.066 176.117 -0.049 0.000 1.010 159 I CA -0.454 60.828 61.300 -0.029 0.000 1.098 159 I CB 2.107 40.090 38.000 -0.028 0.000 1.266 159 I HN 0.296 nan 8.210 nan 0.000 0.434 160 G N 4.745 113.513 108.800 -0.055 0.000 2.491 160 G HA2 0.598 4.557 3.960 -0.001 0.000 0.327 160 G HA3 0.598 4.557 3.960 -0.001 0.000 0.327 160 G C -0.560 174.282 174.900 -0.096 0.000 1.189 160 G CA -0.837 44.217 45.100 -0.076 0.000 0.956 160 G HN 0.513 nan 8.290 nan 0.000 0.491 161 R N -0.505 119.913 120.500 -0.136 0.000 2.340 161 R HA 0.459 4.799 4.340 -0.001 0.000 0.300 161 R C 1.039 177.273 176.300 -0.110 0.000 1.069 161 R CA 0.846 56.848 56.100 -0.164 0.000 0.984 161 R CB 1.111 31.227 30.300 -0.306 0.000 1.003 161 R HN 1.057 nan 8.270 nan 0.000 0.459 162 G N 1.467 110.221 108.800 -0.076 0.000 2.195 162 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.224 162 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.224 162 G C 0.133 175.015 174.900 -0.030 0.000 0.990 162 G CA -0.246 44.830 45.100 -0.040 0.000 0.639 162 G HN 0.562 nan 8.290 nan 0.000 0.514 163 Q N 0.156 119.933 119.800 -0.038 0.000 2.259 163 Q HA 0.659 4.998 4.340 -0.001 0.000 0.246 163 Q C -0.015 175.973 176.000 -0.020 0.000 0.920 163 Q CA -0.587 55.200 55.803 -0.027 0.000 0.895 163 Q CB 0.491 29.210 28.738 -0.031 0.000 1.220 163 Q HN 0.381 nan 8.270 nan 0.000 0.439 164 R N 2.202 122.697 120.500 -0.008 0.000 2.310 164 R HA 0.263 4.602 4.340 -0.001 0.000 0.324 164 R C -1.286 175.013 176.300 -0.000 0.000 0.955 164 R CA -0.430 55.669 56.100 -0.000 0.000 0.830 164 R CB 1.426 31.732 30.300 0.011 0.000 1.154 164 R HN 0.466 nan 8.270 nan 0.000 0.458 165 E N 3.201 123.399 120.200 -0.003 0.000 2.199 165 E HA 0.286 4.636 4.350 -0.001 0.000 0.265 165 E C -1.537 175.067 176.600 0.007 0.000 0.882 165 E CA -0.898 55.504 56.400 0.003 0.000 0.759 165 E CB 1.188 30.888 29.700 -0.000 0.000 1.148 165 E HN 0.352 nan 8.360 nan 0.000 0.412 166 L N 5.352 126.584 121.223 0.014 0.000 2.326 166 L HA 0.508 4.847 4.340 -0.001 0.000 0.278 166 L C -0.973 175.917 176.870 0.033 0.000 1.092 166 L CA -0.118 54.732 54.840 0.017 0.000 0.810 166 L CB 0.763 42.831 42.059 0.014 0.000 1.153 166 L HN 0.672 nan 8.230 nan 0.000 0.439 167 I N 6.794 127.383 120.570 0.031 0.000 2.307 167 I HA 0.395 4.564 4.170 -0.001 0.000 0.289 167 I C -0.371 175.784 176.117 0.063 0.000 1.021 167 I CA -0.151 61.176 61.300 0.045 0.000 1.224 167 I CB 1.152 39.171 38.000 0.031 0.000 1.376 167 I HN 0.549 nan 8.210 nan 0.000 0.470 168 I N 5.353 125.990 120.570 0.111 0.000 2.647 168 I HA 0.902 5.071 4.170 -0.001 0.000 0.295 168 I C -0.366 175.877 176.117 0.210 0.000 1.078 168 I CA -0.074 61.315 61.300 0.148 0.000 1.048 168 I CB 2.126 40.222 38.000 0.160 0.000 1.239 168 I HN 0.684 nan 8.210 nan 0.000 0.421 169 G N 5.188 114.084 108.800 0.161 0.000 2.328 169 G HA2 0.158 4.117 3.960 -0.001 0.000 0.295 169 G HA3 0.158 4.117 3.960 -0.001 0.000 0.295 169 G C -1.879 173.056 174.900 0.058 0.000 1.413 169 G CA -0.754 44.403 45.100 0.094 0.000 0.817 169 G HN 0.530 nan 8.290 nan 0.000 0.546 170 D N 0.052 120.463 120.400 0.018 0.000 2.393 170 D HA 0.270 4.909 4.640 -0.001 0.000 0.246 170 D C 1.053 177.341 176.300 -0.021 0.000 1.275 170 D CA -0.053 53.956 54.000 0.016 0.000 0.979 170 D CB 0.552 41.359 40.800 0.011 0.000 1.101 170 D HN 0.673 nan 8.370 nan 0.000 0.505 171 R N 0.169 120.662 120.500 -0.012 0.000 2.640 171 R HA -0.027 4.312 4.340 -0.001 0.000 0.270 171 R C 0.004 176.254 176.300 -0.083 0.000 1.024 171 R CA -0.164 55.920 56.100 -0.026 0.000 1.085 171 R CB 0.169 30.465 30.300 -0.005 0.000 0.963 171 R HN 0.230 nan 8.270 nan 0.000 0.426 172 Q N -0.275 119.466 119.800 -0.098 0.000 2.480 172 Q HA -0.166 4.173 4.340 -0.001 0.000 0.265 172 Q C 0.378 176.151 176.000 -0.379 0.000 1.072 172 Q CA 1.880 57.570 55.803 -0.188 0.000 1.018 172 Q CB -2.012 26.622 28.738 -0.174 0.000 1.433 172 Q HN 1.009 nan 8.270 nan 0.000 0.513 173 T N -4.711 109.666 114.554 -0.295 0.000 3.086 173 T HA 0.421 4.770 4.350 -0.001 0.000 0.250 173 T C 1.250 175.844 174.700 -0.177 0.000 1.074 173 T CA 0.811 62.675 62.100 -0.394 0.000 0.988 173 T CB 0.894 69.623 68.868 -0.232 0.000 0.988 173 T HN 0.788 nan 8.240 nan 0.000 0.530 174 G N 1.653 110.397 108.800 -0.094 0.000 2.143 174 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.175 174 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.175 174 G C 0.714 175.620 174.900 0.011 0.000 1.004 174 G CA 0.128 45.243 45.100 0.025 0.000 0.671 174 G HN 0.501 nan 8.290 nan 0.000 0.512 175 K N -0.125 120.275 120.400 -0.001 0.000 2.032 175 K HA -0.075 4.244 4.320 -0.001 0.000 0.209 175 K C 2.559 179.178 176.600 0.031 0.000 1.048 175 K CA 2.005 58.301 56.287 0.015 0.000 0.927 175 K CB -0.383 32.128 32.500 0.019 0.000 0.712 175 K HN 0.305 nan 8.250 nan 0.000 0.441 176 T N 0.918 115.498 114.554 0.044 0.000 2.788 176 T HA -0.123 4.226 4.350 -0.001 0.000 0.268 176 T C 2.049 176.771 174.700 0.037 0.000 1.044 176 T CA 1.553 63.697 62.100 0.073 0.000 1.139 176 T CB -0.240 68.680 68.868 0.088 0.000 0.867 176 T HN 0.179 nan 8.240 nan 0.000 0.454 177 S N 1.516 117.218 115.700 0.003 0.000 2.365 177 S HA -0.108 4.361 4.470 -0.001 0.000 0.225 177 S C 2.046 176.618 174.600 -0.048 0.000 1.039 177 S CA 0.975 59.143 58.200 -0.054 0.000 1.033 177 S CB -0.471 62.678 63.200 -0.085 0.000 0.887 177 S HN 0.344 nan 8.310 nan 0.000 0.447 178 I N 2.187 122.745 120.570 -0.020 0.000 2.145 178 I HA -0.277 3.892 4.170 -0.001 0.000 0.244 178 I C 2.742 178.861 176.117 0.004 0.000 1.075 178 I CA 1.709 63.002 61.300 -0.012 0.000 1.332 178 I CB -1.825 36.176 38.000 0.003 0.000 1.033 178 I HN 0.284 nan 8.210 nan 0.000 0.410 179 A N 1.002 123.839 122.820 0.029 0.000 1.902 179 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 179 A C 2.237 179.846 177.584 0.042 0.000 1.181 179 A CA 1.314 53.384 52.037 0.056 0.000 0.623 179 A CB -0.516 18.559 19.000 0.124 0.000 0.818 179 A HN 0.279 nan 8.150 nan 0.000 0.443 180 I N 0.513 121.091 120.570 0.012 0.000 2.113 180 I HA -0.202 3.967 4.170 -0.001 0.000 0.238 180 I C 1.961 178.087 176.117 0.016 0.000 1.070 180 I CA 1.739 63.035 61.300 -0.006 0.000 1.332 180 I CB -1.809 36.191 38.000 0.001 0.000 1.044 180 I HN 0.254 nan 8.210 nan 0.000 0.402 181 D N 0.638 121.029 120.400 -0.016 0.000 2.172 181 D HA -0.184 4.455 4.640 -0.001 0.000 0.196 181 D C 2.193 178.510 176.300 0.027 0.000 0.999 181 D CA 1.796 55.791 54.000 -0.008 0.000 0.856 181 D CB -0.196 40.569 40.800 -0.057 0.000 0.934 181 D HN 0.268 nan 8.370 nan 0.000 0.453 182 T N 0.162 114.734 114.554 0.030 0.000 2.708 182 T HA -0.070 4.280 4.350 -0.001 0.000 0.266 182 T C 2.108 176.857 174.700 0.082 0.000 1.037 182 T CA 0.617 62.746 62.100 0.048 0.000 1.146 182 T CB -0.184 68.705 68.868 0.035 0.000 0.865 182 T HN 0.178 nan 8.240 nan 0.000 0.435 183 I N 0.395 121.015 120.570 0.084 0.000 2.226 183 I HA -0.137 4.032 4.170 -0.001 0.000 0.245 183 I C 2.266 178.504 176.117 0.201 0.000 1.100 183 I CA 1.390 62.770 61.300 0.134 0.000 1.374 183 I CB -0.401 37.636 38.000 0.062 0.000 1.057 183 I HN 0.225 nan 8.210 nan 0.000 0.413 184 I N 0.926 121.572 120.570 0.126 0.000 2.315 184 I HA -0.295 3.875 4.170 -0.001 0.000 0.248 184 I C 2.233 178.416 176.117 0.111 0.000 1.117 184 I CA 1.365 62.744 61.300 0.131 0.000 1.404 184 I CB -0.340 37.719 38.000 0.097 0.000 1.071 184 I HN 0.284 nan 8.210 nan 0.000 0.419 185 N N 0.475 119.223 118.700 0.079 0.000 2.364 185 N HA -0.209 4.530 4.740 -0.001 0.000 0.183 185 N C 1.671 177.181 175.510 0.000 0.000 1.022 185 N CA 0.974 54.043 53.050 0.031 0.000 0.883 185 N CB 0.108 38.630 38.487 0.059 0.000 0.965 185 N HN 0.192 nan 8.380 nan 0.000 0.438 186 Q N 0.210 120.056 119.800 0.078 0.000 2.488 186 Q HA -0.046 4.294 4.340 -0.001 0.000 0.211 186 Q C 1.490 177.332 176.000 -0.263 0.000 0.967 186 Q CA 0.457 56.284 55.803 0.040 0.000 0.926 186 Q CB -0.085 28.656 28.738 0.005 0.000 0.992 186 Q HN 0.514 nan 8.270 nan 0.000 0.506 187 K N 1.106 121.377 120.400 -0.216 0.000 2.057 187 K HA -0.116 4.203 4.320 -0.001 0.000 0.207 187 K C 1.845 178.249 176.600 -0.327 0.000 1.049 187 K CA 0.762 56.903 56.287 -0.244 0.000 0.931 187 K CB 0.142 32.623 32.500 -0.032 0.000 0.714 187 K HN 0.094 nan 8.250 nan 0.000 0.440 188 R N -0.355 119.865 120.500 -0.468 0.000 2.191 188 R HA -0.229 4.110 4.340 -0.001 0.000 0.248 188 R C 2.248 178.182 176.300 -0.610 0.000 1.127 188 R CA 2.574 58.279 56.100 -0.658 0.000 0.943 188 R CB -0.722 28.822 30.300 -1.261 0.000 0.891 188 R HN 0.260 nan 8.270 nan 0.000 0.439 189 F N 0.045 119.906 119.950 -0.150 0.000 2.335 189 F HA 0.053 4.580 4.527 -0.001 0.000 0.296 189 F C 2.065 177.751 175.800 -0.189 0.000 1.091 189 F CA 0.295 58.206 58.000 -0.149 0.000 1.399 189 F CB -0.495 38.417 39.000 -0.147 0.000 1.067 189 F HN -0.065 nan 8.300 nan 0.000 0.520 190 N N 0.370 118.982 118.700 -0.148 0.000 2.309 190 N HA -0.135 4.605 4.740 -0.001 0.000 0.182 190 N C 1.064 176.497 175.510 -0.129 0.000 1.018 190 N CA 1.224 54.133 53.050 -0.236 0.000 0.876 190 N CB -0.427 37.721 38.487 -0.564 0.000 0.972 190 N HN 0.228 nan 8.380 nan 0.000 0.434 191 D N -0.108 120.217 120.400 -0.124 0.000 2.347 191 D HA 0.076 4.716 4.640 -0.001 0.000 0.213 191 D C 1.151 177.422 176.300 -0.047 0.000 0.985 191 D CA 0.194 54.154 54.000 -0.065 0.000 0.879 191 D CB -0.135 40.625 40.800 -0.066 0.000 0.919 191 D HN 0.142 nan 8.370 nan 0.000 0.526 192 G N -0.649 108.121 108.800 -0.050 0.000 2.588 192 G HA2 0.202 4.162 3.960 -0.001 0.000 0.278 192 G HA3 0.202 4.162 3.960 -0.001 0.000 0.278 192 G C 1.045 175.944 174.900 -0.002 0.000 1.307 192 G CA -0.038 45.049 45.100 -0.022 0.000 1.016 192 G HN 0.008 nan 8.290 nan 0.000 0.503 193 T N -0.315 114.243 114.554 0.007 0.000 2.781 193 T HA 0.001 4.350 4.350 -0.001 0.000 0.252 193 T C 0.954 175.665 174.700 0.018 0.000 1.039 193 T CA 0.694 62.801 62.100 0.012 0.000 1.147 193 T CB -0.264 68.609 68.868 0.009 0.000 0.865 193 T HN 0.489 nan 8.240 nan 0.000 0.423 194 D N 1.664 122.077 120.400 0.022 0.000 2.520 194 D HA -0.029 4.610 4.640 -0.001 0.000 0.243 194 D C 0.652 176.962 176.300 0.018 0.000 1.160 194 D CA 0.332 54.345 54.000 0.022 0.000 0.877 194 D CB 0.941 41.758 40.800 0.029 0.000 1.150 194 D HN 0.191 nan 8.370 nan 0.000 0.494 195 E N 2.342 122.550 120.200 0.014 0.000 2.385 195 E HA -0.008 4.341 4.350 -0.001 0.000 0.194 195 E C 1.439 178.031 176.600 -0.014 0.000 1.013 195 E CA 0.516 56.923 56.400 0.012 0.000 0.866 195 E CB 0.307 30.026 29.700 0.031 0.000 0.832 195 E HN 0.437 nan 8.360 nan 0.000 0.500 196 K N 0.047 120.443 120.400 -0.007 0.000 2.228 196 K HA 0.031 4.350 4.320 -0.001 0.000 0.202 196 K C 1.582 178.236 176.600 0.090 0.000 1.051 196 K CA 0.662 56.954 56.287 0.009 0.000 0.960 196 K CB 0.182 32.705 32.500 0.038 0.000 0.743 196 K HN -0.068 nan 8.250 nan 0.000 0.458 197 K N 1.132 121.540 120.400 0.013 0.000 2.400 197 K HA 0.040 4.359 4.320 -0.001 0.000 0.194 197 K C 0.097 176.629 176.600 -0.114 0.000 1.033 197 K CA 0.285 56.525 56.287 -0.078 0.000 1.021 197 K CB 0.294 32.753 32.500 -0.069 0.000 0.808 197 K HN 0.074 nan 8.250 nan 0.000 0.505 198 K N 1.227 121.586 120.400 -0.068 0.000 2.355 198 K HA 0.109 4.429 4.320 -0.001 0.000 0.270 198 K C -0.598 175.843 176.600 -0.266 0.000 1.003 198 K CA -0.173 55.998 56.287 -0.194 0.000 0.957 198 K CB 0.589 32.921 32.500 -0.281 0.000 0.939 198 K HN -0.163 nan 8.250 nan 0.000 0.482 199 L N 3.813 124.801 121.223 -0.391 0.000 2.446 199 L HA 0.288 4.628 4.340 -0.001 0.000 0.268 199 L C -1.637 174.996 176.870 -0.395 0.000 0.975 199 L CA -0.475 54.179 54.840 -0.309 0.000 0.848 199 L CB 0.725 42.685 42.059 -0.164 0.000 1.225 199 L HN 0.429 nan 8.230 nan 0.000 0.410 200 Y N 3.137 123.357 120.300 -0.133 0.000 2.319 200 Y HA 0.442 4.991 4.550 -0.001 0.000 0.328 200 Y C 0.653 176.447 175.900 -0.177 0.000 1.133 200 Y CA -0.043 57.929 58.100 -0.213 0.000 1.265 200 Y CB 0.850 38.871 38.460 -0.731 0.000 1.218 200 Y HN 0.502 nan 8.280 nan 0.000 0.508 201 C N 4.455 123.815 119.300 0.099 0.000 2.454 201 C HA 0.736 5.196 4.460 -0.001 0.000 0.336 201 C C -0.037 174.962 174.990 0.015 0.000 1.189 201 C CA -1.114 57.932 59.018 0.048 0.000 1.877 201 C CB 0.469 28.278 27.740 0.116 0.000 2.348 201 C HN 0.655 nan 8.230 nan 0.000 0.508 202 I N 1.579 122.148 120.570 -0.001 0.000 2.533 202 I HA 0.319 4.488 4.170 -0.001 0.000 0.290 202 I C -1.287 174.843 176.117 0.021 0.000 1.056 202 I CA -0.504 60.801 61.300 0.009 0.000 1.057 202 I CB 1.527 39.519 38.000 -0.013 0.000 1.240 202 I HN 0.631 nan 8.210 nan 0.000 0.423 203 Y N 6.604 126.866 120.300 -0.064 0.000 2.376 203 Y HA 0.572 5.121 4.550 -0.001 0.000 0.326 203 Y C -1.100 174.778 175.900 -0.037 0.000 0.970 203 Y CA -0.744 57.318 58.100 -0.063 0.000 1.248 203 Y CB 1.314 39.746 38.460 -0.046 0.000 1.117 203 Y HN 0.250 nan 8.280 nan 0.000 0.476 204 V N 6.403 126.033 119.914 -0.474 0.000 2.348 204 V HA 0.623 4.742 4.120 -0.001 0.000 0.270 204 V C 0.263 176.109 176.094 -0.413 0.000 1.037 204 V CA -0.559 61.567 62.300 -0.290 0.000 0.872 204 V CB 0.624 32.377 31.823 -0.115 0.000 1.002 204 V HN 0.907 nan 8.190 nan 0.000 0.464 205 A N 7.108 129.807 122.820 -0.201 0.000 2.328 205 A HA 0.839 5.158 4.320 -0.001 0.000 0.284 205 A C -0.422 177.141 177.584 -0.035 0.000 1.160 205 A CA -0.298 51.687 52.037 -0.087 0.000 0.818 205 A CB 0.165 19.226 19.000 0.101 0.000 1.087 205 A HN 0.806 nan 8.150 nan 0.000 0.504 206 I N 1.842 122.400 120.570 -0.021 0.000 2.478 206 I HA 0.527 4.697 4.170 -0.001 0.000 0.287 206 I C 1.080 177.220 176.117 0.039 0.000 1.042 206 I CA 0.018 61.325 61.300 0.012 0.000 1.067 206 I CB 1.842 39.842 38.000 -0.000 0.000 1.233 206 I HN 0.987 nan 8.210 nan 0.000 0.431 207 G N 3.907 112.740 108.800 0.055 0.000 2.212 207 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.266 207 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.266 207 G C 0.371 175.304 174.900 0.056 0.000 0.978 207 G CA 0.598 45.735 45.100 0.062 0.000 0.632 207 G HN 0.648 nan 8.290 nan 0.000 0.537 208 Q N 0.251 120.085 119.800 0.056 0.000 2.841 208 Q HA 0.516 4.855 4.340 -0.001 0.000 0.198 208 Q C 0.597 176.631 176.000 0.057 0.000 1.135 208 Q CA 0.318 56.157 55.803 0.061 0.000 1.167 208 Q CB 0.259 29.043 28.738 0.077 0.000 1.288 208 Q HN 0.364 nan 8.270 nan 0.000 0.670 209 K N 0.415 120.848 120.400 0.055 0.000 2.206 209 K HA 0.203 4.522 4.320 -0.001 0.000 0.264 209 K C 0.596 177.224 176.600 0.046 0.000 0.967 209 K CA -0.363 55.952 56.287 0.046 0.000 0.844 209 K CB 0.796 33.320 32.500 0.041 0.000 1.099 209 K HN 0.555 nan 8.250 nan 0.000 0.441 210 R N 0.584 121.108 120.500 0.041 0.000 2.103 210 R HA -0.175 4.164 4.340 -0.001 0.000 0.242 210 R C 1.873 178.191 176.300 0.031 0.000 1.142 210 R CA 2.445 58.567 56.100 0.037 0.000 0.960 210 R CB -0.131 30.188 30.300 0.031 0.000 0.858 210 R HN 0.740 nan 8.270 nan 0.000 0.439 211 S N -0.693 115.024 115.700 0.028 0.000 2.402 211 S HA -0.095 4.375 4.470 -0.001 0.000 0.229 211 S C 1.892 176.505 174.600 0.023 0.000 1.021 211 S CA 1.564 59.777 58.200 0.022 0.000 0.974 211 S CB -0.289 62.923 63.200 0.019 0.000 0.800 211 S HN 0.227 nan 8.310 nan 0.000 0.484 212 T N 2.397 116.969 114.554 0.031 0.000 2.777 212 T HA 0.011 4.360 4.350 -0.001 0.000 0.266 212 T C 1.944 176.663 174.700 0.032 0.000 1.040 212 T CA 1.302 63.423 62.100 0.035 0.000 1.141 212 T CB -0.491 68.407 68.868 0.049 0.000 0.868 212 T HN 0.274 nan 8.240 nan 0.000 0.444 213 V N 1.867 121.809 119.914 0.047 0.000 2.261 213 V HA -0.160 3.959 4.120 -0.001 0.000 0.246 213 V C 2.931 179.032 176.094 0.012 0.000 1.047 213 V CA 1.715 64.045 62.300 0.050 0.000 1.015 213 V CB -1.294 30.577 31.823 0.080 0.000 0.642 213 V HN 0.515 nan 8.190 nan 0.000 0.446 214 A N -0.633 122.195 122.820 0.013 0.000 1.948 214 A HA -0.290 4.029 4.320 -0.001 0.000 0.220 214 A C 2.180 179.755 177.584 -0.014 0.000 1.177 214 A CA 1.903 53.940 52.037 -0.001 0.000 0.636 214 A CB -0.470 18.533 19.000 0.004 0.000 0.815 214 A HN 0.579 nan 8.150 nan 0.000 0.449 215 Q N -0.706 119.088 119.800 -0.011 0.000 2.079 215 Q HA -0.093 4.246 4.340 -0.001 0.000 0.200 215 Q C 2.191 178.168 176.000 -0.039 0.000 0.974 215 Q CA 0.984 56.776 55.803 -0.018 0.000 0.840 215 Q CB -0.666 28.069 28.738 -0.004 0.000 0.898 215 Q HN 0.637 nan 8.270 nan 0.000 0.430 216 L N 1.037 122.230 121.223 -0.051 0.000 2.017 216 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 216 L C 2.353 179.146 176.870 -0.128 0.000 1.073 216 L CA 1.834 56.608 54.840 -0.110 0.000 0.745 216 L CB -0.796 41.164 42.059 -0.166 0.000 0.894 216 L HN 0.197 nan 8.230 nan 0.000 0.432 217 V N -1.289 118.567 119.914 -0.096 0.000 2.809 217 V HA -0.207 3.912 4.120 -0.001 0.000 0.256 217 V C 2.519 178.567 176.094 -0.077 0.000 1.080 217 V CA 1.738 63.985 62.300 -0.089 0.000 1.102 217 V CB -0.509 31.279 31.823 -0.058 0.000 0.705 217 V HN 0.473 nan 8.190 nan 0.000 0.475 218 K N 0.475 120.836 120.400 -0.065 0.000 1.973 218 K HA -0.208 4.111 4.320 -0.001 0.000 0.210 218 K C 2.508 179.061 176.600 -0.078 0.000 1.045 218 K CA 1.719 57.969 56.287 -0.061 0.000 0.937 218 K CB -0.357 32.113 32.500 -0.050 0.000 0.721 218 K HN 0.452 nan 8.250 nan 0.000 0.438 219 R N 0.753 121.201 120.500 -0.087 0.000 2.113 219 R HA -0.160 4.179 4.340 -0.001 0.000 0.244 219 R C 2.420 178.662 176.300 -0.097 0.000 1.142 219 R CA 1.780 57.817 56.100 -0.105 0.000 0.953 219 R CB -0.349 29.895 30.300 -0.093 0.000 0.860 219 R HN 0.262 nan 8.270 nan 0.000 0.438 220 L N -0.591 120.570 121.223 -0.103 0.000 2.017 220 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 220 L C 2.388 179.191 176.870 -0.112 0.000 1.073 220 L CA 1.897 56.665 54.840 -0.119 0.000 0.745 220 L CB -0.715 41.250 42.059 -0.157 0.000 0.894 220 L HN 0.352 nan 8.230 nan 0.000 0.432 221 T N -1.065 113.432 114.554 -0.096 0.000 2.708 221 T HA -0.195 4.154 4.350 -0.001 0.000 0.266 221 T C 1.417 176.077 174.700 -0.066 0.000 1.037 221 T CA 1.559 63.612 62.100 -0.078 0.000 1.146 221 T CB -0.315 68.516 68.868 -0.061 0.000 0.865 221 T HN 0.265 nan 8.240 nan 0.000 0.435 222 D N 1.181 121.539 120.400 -0.070 0.000 2.311 222 D HA 0.022 4.661 4.640 -0.001 0.000 0.212 222 D C 1.784 178.047 176.300 -0.062 0.000 0.972 222 D CA 0.745 54.704 54.000 -0.068 0.000 0.887 222 D CB -0.204 40.543 40.800 -0.088 0.000 0.915 222 D HN 0.461 nan 8.370 nan 0.000 0.497 223 A N -0.155 122.629 122.820 -0.059 0.000 2.348 223 A HA 0.103 4.422 4.320 -0.001 0.000 0.224 223 A C 0.462 178.039 177.584 -0.011 0.000 1.227 223 A CA 0.207 52.224 52.037 -0.033 0.000 0.885 223 A CB 0.330 19.317 19.000 -0.022 0.000 0.933 223 A HN 0.002 nan 8.150 nan 0.000 0.506 224 D N -2.325 118.058 120.400 -0.029 0.000 2.746 224 D HA -0.188 4.452 4.640 -0.001 0.000 0.236 224 D C 0.663 176.962 176.300 -0.003 0.000 1.129 224 D CA 1.003 54.999 54.000 -0.008 0.000 0.691 224 D CB -1.280 39.535 40.800 0.023 0.000 1.077 224 D HN 0.527 nan 8.370 nan 0.000 0.432 225 A N -0.452 122.277 122.820 -0.152 0.000 2.259 225 A HA 0.165 4.485 4.320 -0.001 0.000 0.213 225 A C 2.110 179.264 177.584 -0.716 0.000 1.209 225 A CA 0.267 51.988 52.037 -0.526 0.000 0.910 225 A CB 0.058 18.861 19.000 -0.329 0.000 0.946 225 A HN 0.274 nan 8.150 nan 0.000 0.497 226 M N 1.361 120.762 119.600 -0.332 0.000 2.149 226 M HA -0.191 4.289 4.480 -0.001 0.000 0.261 226 M C 2.046 178.225 176.300 -0.203 0.000 1.064 226 M CA 2.036 57.191 55.300 -0.241 0.000 1.102 226 M CB -0.989 31.536 32.600 -0.126 0.000 1.369 226 M HN 0.685 nan 8.290 nan 0.000 0.408 227 K N 0.705 121.022 120.400 -0.139 0.000 2.089 227 K HA -0.215 4.105 4.320 -0.001 0.000 0.210 227 K C 1.189 177.850 176.600 0.101 0.000 1.048 227 K CA 2.209 58.508 56.287 0.019 0.000 0.926 227 K CB -1.054 31.513 32.500 0.110 0.000 0.714 227 K HN 0.538 nan 8.250 nan 0.000 0.448 228 Y N 0.266 120.615 120.300 0.082 0.000 2.607 228 Y HA 0.456 5.005 4.550 -0.001 0.000 0.266 228 Y C -0.424 175.536 175.900 0.101 0.000 1.178 228 Y CA -0.971 57.212 58.100 0.139 0.000 1.226 228 Y CB -0.045 38.472 38.460 0.096 0.000 1.144 228 Y HN -0.197 nan 8.280 nan 0.000 0.528 229 T N 2.162 116.653 114.554 -0.105 0.000 2.887 229 T HA 0.642 4.991 4.350 -0.001 0.000 0.288 229 T C -0.504 174.194 174.700 -0.002 0.000 1.021 229 T CA -0.527 61.537 62.100 -0.061 0.000 1.000 229 T CB 2.098 70.870 68.868 -0.161 0.000 1.034 229 T HN 0.125 nan 8.240 nan 0.000 0.467 230 I N 1.526 122.116 120.570 0.033 0.000 2.530 230 I HA 0.599 4.768 4.170 -0.001 0.000 0.297 230 I C -0.796 175.356 176.117 0.058 0.000 1.011 230 I CA -1.184 60.145 61.300 0.048 0.000 1.107 230 I CB 2.044 40.088 38.000 0.073 0.000 1.285 230 I HN 0.222 nan 8.210 nan 0.000 0.436 231 V N 6.254 126.203 119.914 0.058 0.000 2.409 231 V HA 0.293 4.412 4.120 -0.001 0.000 0.290 231 V C -0.182 175.957 176.094 0.075 0.000 1.017 231 V CA -0.673 61.689 62.300 0.102 0.000 0.841 231 V CB 1.879 33.762 31.823 0.100 0.000 1.003 231 V HN 0.404 nan 8.190 nan 0.000 0.426 232 V N 3.922 123.871 119.914 0.059 0.000 2.406 232 V HA 0.427 4.546 4.120 -0.001 0.000 0.272 232 V C 0.452 176.565 176.094 0.033 0.000 1.043 232 V CA 0.033 62.351 62.300 0.030 0.000 0.915 232 V CB 1.568 33.397 31.823 0.010 0.000 0.988 232 V HN 0.815 nan 8.190 nan 0.000 0.466 233 S N 3.666 119.388 115.700 0.037 0.000 2.449 233 S HA 0.771 5.240 4.470 -0.001 0.000 0.310 233 S C -0.033 174.587 174.600 0.034 0.000 1.096 233 S CA -0.211 58.016 58.200 0.045 0.000 1.095 233 S CB 1.204 64.437 63.200 0.055 0.000 1.007 233 S HN 1.023 nan 8.310 nan 0.000 0.474 234 A N 3.984 126.825 122.820 0.034 0.000 3.082 234 A HA 0.538 4.858 4.320 -0.001 0.000 0.328 234 A C 0.285 177.900 177.584 0.052 0.000 1.089 234 A CA -0.717 51.345 52.037 0.043 0.000 0.802 234 A CB -0.104 18.922 19.000 0.042 0.000 1.138 234 A HN 0.752 nan 8.150 nan 0.000 0.474 235 T N -1.458 113.128 114.554 0.053 0.000 2.816 235 T HA 0.548 4.897 4.350 -0.001 0.000 0.282 235 T C 1.699 176.433 174.700 0.056 0.000 0.993 235 T CA 0.013 62.146 62.100 0.054 0.000 0.994 235 T CB 1.159 70.057 68.868 0.051 0.000 1.025 235 T HN 1.227 nan 8.240 nan 0.000 0.529 236 A N 1.329 124.181 122.820 0.053 0.000 1.969 236 A HA -0.214 4.105 4.320 -0.001 0.000 0.223 236 A C 2.423 180.036 177.584 0.048 0.000 1.218 236 A CA 2.822 54.889 52.037 0.051 0.000 0.667 236 A CB -1.626 17.401 19.000 0.045 0.000 0.826 236 A HN 1.196 nan 8.150 nan 0.000 0.472 237 S N -1.013 114.714 115.700 0.045 0.000 2.548 237 S HA 0.090 4.560 4.470 -0.001 0.000 0.215 237 S C 0.196 174.825 174.600 0.049 0.000 0.976 237 S CA -0.107 58.118 58.200 0.041 0.000 0.908 237 S CB -0.165 63.056 63.200 0.035 0.000 0.781 237 S HN 0.495 nan 8.310 nan 0.000 0.519 238 D N 2.882 123.317 120.400 0.059 0.000 2.399 238 D HA 0.425 5.064 4.640 -0.001 0.000 0.241 238 D C 0.518 176.869 176.300 0.085 0.000 1.133 238 D CA 0.331 54.374 54.000 0.072 0.000 0.890 238 D CB 0.994 41.841 40.800 0.078 0.000 1.201 238 D HN 0.424 nan 8.370 nan 0.000 0.432 239 A N 1.555 124.433 122.820 0.097 0.000 2.555 239 A HA 0.245 4.564 4.320 -0.001 0.000 0.233 239 A C 1.460 179.123 177.584 0.131 0.000 1.060 239 A CA 0.514 52.611 52.037 0.100 0.000 0.759 239 A CB 0.193 19.262 19.000 0.116 0.000 0.995 239 A HN 0.652 nan 8.150 nan 0.000 0.506 240 A N 2.906 125.791 122.820 0.109 0.000 1.903 240 A HA -0.104 4.215 4.320 -0.001 0.000 0.219 240 A C -0.072 177.646 177.584 0.225 0.000 1.191 240 A CA 2.193 54.313 52.037 0.138 0.000 0.638 240 A CB -1.763 17.290 19.000 0.087 0.000 0.823 240 A HN 0.663 nan 8.150 nan 0.000 0.451 241 P HA -0.091 nan 4.420 nan 0.000 0.220 241 P C 1.389 179.021 177.300 0.553 0.000 1.148 241 P CA 0.802 64.145 63.100 0.405 0.000 0.803 241 P CB -0.156 31.667 31.700 0.206 0.000 0.782 242 L N -0.791 120.670 121.223 0.398 0.000 2.044 242 L HA -0.158 4.182 4.340 -0.001 0.000 0.205 242 L C 2.755 179.741 176.870 0.193 0.000 1.075 242 L CA 1.494 56.491 54.840 0.262 0.000 0.747 242 L CB -1.165 41.000 42.059 0.177 0.000 0.903 242 L HN -0.057 nan 8.230 nan 0.000 0.435 243 Q N -0.878 119.038 119.800 0.193 0.000 2.135 243 Q HA -0.281 4.058 4.340 -0.001 0.000 0.204 243 Q C 2.124 178.234 176.000 0.183 0.000 0.981 243 Q CA 2.179 58.076 55.803 0.156 0.000 0.856 243 Q CB -0.394 28.437 28.738 0.155 0.000 0.902 243 Q HN 0.507 nan 8.270 nan 0.000 0.425 244 Y N 1.041 121.441 120.300 0.166 0.000 2.114 244 Y HA -0.250 4.299 4.550 -0.001 0.000 0.284 244 Y C 1.995 178.038 175.900 0.238 0.000 1.143 244 Y CA 1.365 59.587 58.100 0.203 0.000 1.135 244 Y CB -0.459 38.145 38.460 0.240 0.000 0.980 244 Y HN 0.061 nan 8.280 nan 0.000 0.499 245 L N 0.851 122.017 121.223 -0.096 0.000 2.056 245 L HA -0.053 4.286 4.340 -0.001 0.000 0.207 245 L C 2.652 179.497 176.870 -0.042 0.000 1.078 245 L CA 1.947 56.724 54.840 -0.106 0.000 0.749 245 L CB -1.385 40.678 42.059 0.005 0.000 0.901 245 L HN 0.376 nan 8.230 nan 0.000 0.433 246 A N 0.289 123.088 122.820 -0.035 0.000 1.935 246 A HA -0.304 4.015 4.320 -0.001 0.000 0.224 246 A C 0.008 177.536 177.584 -0.094 0.000 1.324 246 A CA 2.828 54.837 52.037 -0.046 0.000 0.686 246 A CB -2.463 16.527 19.000 -0.018 0.000 0.837 246 A HN 0.455 nan 8.150 nan 0.000 0.481 247 P HA -0.157 nan 4.420 nan 0.000 0.214 247 P C 1.107 178.179 177.300 -0.380 0.000 1.163 247 P CA 1.617 64.495 63.100 -0.369 0.000 0.883 247 P CB -0.337 30.917 31.700 -0.742 0.000 0.788 248 Y N -0.092 120.084 120.300 -0.208 0.000 2.165 248 Y HA -0.145 4.404 4.550 -0.001 0.000 0.286 248 Y C 2.743 178.596 175.900 -0.078 0.000 1.155 248 Y CA 1.456 59.461 58.100 -0.159 0.000 1.164 248 Y CB -1.564 36.765 38.460 -0.218 0.000 0.978 248 Y HN -0.081 nan 8.280 nan 0.000 0.513 249 S N -0.036 115.694 115.700 0.050 0.000 2.351 249 S HA -0.217 4.252 4.470 -0.001 0.000 0.220 249 S C 2.484 177.106 174.600 0.037 0.000 1.035 249 S CA 1.485 59.698 58.200 0.021 0.000 1.031 249 S CB -1.166 62.023 63.200 -0.018 0.000 0.928 249 S HN 0.666 nan 8.310 nan 0.000 0.433 250 G N -0.082 108.739 108.800 0.036 0.000 2.442 250 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.219 250 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.219 250 G C 1.731 176.688 174.900 0.096 0.000 1.141 250 G CA 1.155 46.290 45.100 0.059 0.000 0.763 250 G HN 0.591 nan 8.290 nan 0.000 0.554 251 C N 0.389 119.762 119.300 0.121 0.000 2.413 251 C HA -0.032 4.427 4.460 -0.001 0.000 0.276 251 C C 3.281 178.345 174.990 0.123 0.000 1.236 251 C CA 1.723 60.826 59.018 0.141 0.000 1.735 251 C CB -0.973 26.828 27.740 0.102 0.000 2.031 251 C HN 0.376 nan 8.230 nan 0.000 0.474 252 S N 0.376 116.138 115.700 0.103 0.000 2.383 252 S HA -0.171 4.298 4.470 -0.001 0.000 0.229 252 S C 1.691 176.364 174.600 0.122 0.000 1.030 252 S CA 2.008 60.267 58.200 0.098 0.000 1.002 252 S CB -0.348 62.893 63.200 0.069 0.000 0.829 252 S HN 0.665 nan 8.310 nan 0.000 0.467 253 M N 0.432 120.106 119.600 0.124 0.000 2.394 253 M HA 0.019 4.498 4.480 -0.001 0.000 0.264 253 M C 2.287 178.781 176.300 0.325 0.000 1.073 253 M CA 1.139 56.535 55.300 0.160 0.000 1.111 253 M CB -0.464 32.212 32.600 0.126 0.000 1.401 253 M HN 0.407 nan 8.290 nan 0.000 0.448 254 G N 0.330 109.296 108.800 0.277 0.000 2.494 254 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.216 254 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.216 254 G C 1.261 176.370 174.900 0.347 0.000 1.140 254 G CA 0.115 45.424 45.100 0.349 0.000 0.801 254 G HN 0.487 nan 8.290 nan 0.000 0.536 255 E N -0.416 119.922 120.200 0.230 0.000 2.208 255 E HA -0.097 4.252 4.350 -0.001 0.000 0.193 255 E C 1.850 178.531 176.600 0.134 0.000 0.988 255 E CA 0.421 56.917 56.400 0.161 0.000 0.828 255 E CB -0.233 29.532 29.700 0.107 0.000 0.763 255 E HN 0.580 nan 8.360 nan 0.000 0.478 256 Y N 1.025 121.337 120.300 0.020 0.000 2.081 256 Y HA -0.316 4.233 4.550 -0.001 0.000 0.280 256 Y C 1.723 177.518 175.900 -0.175 0.000 1.163 256 Y CA 1.771 59.782 58.100 -0.149 0.000 1.135 256 Y CB -0.398 37.873 38.460 -0.315 0.000 0.970 256 Y HN -0.076 nan 8.280 nan 0.000 0.498 257 F N 0.268 120.241 119.950 0.038 0.000 2.146 257 F HA -0.116 4.410 4.527 -0.001 0.000 0.298 257 F C 2.798 178.575 175.800 -0.038 0.000 1.096 257 F CA 1.794 59.775 58.000 -0.031 0.000 1.275 257 F CB -0.676 38.411 39.000 0.147 0.000 1.008 257 F HN -0.031 nan 8.300 nan 0.000 0.480 258 R N 0.640 121.266 120.500 0.210 0.000 2.081 258 R HA -0.156 4.184 4.340 -0.001 0.000 0.235 258 R C 1.213 177.550 176.300 0.061 0.000 1.131 258 R CA 1.902 58.089 56.100 0.144 0.000 0.960 258 R CB -0.425 29.955 30.300 0.133 0.000 0.856 258 R HN 0.155 nan 8.270 nan 0.000 0.436 259 D N 0.092 120.490 120.400 -0.003 0.000 2.363 259 D HA -0.027 4.613 4.640 -0.001 0.000 0.220 259 D C -0.005 176.247 176.300 -0.080 0.000 0.994 259 D CA 0.750 54.738 54.000 -0.020 0.000 0.890 259 D CB -0.030 40.751 40.800 -0.031 0.000 0.906 259 D HN 0.395 nan 8.370 nan 0.000 0.530 260 N N -0.505 118.099 118.700 -0.161 0.000 2.535 260 N HA 0.246 4.986 4.740 -0.001 0.000 0.294 260 N C 0.729 176.173 175.510 -0.110 0.000 1.408 260 N CA -0.157 52.776 53.050 -0.196 0.000 0.927 260 N CB 1.272 39.508 38.487 -0.418 0.000 1.276 260 N HN -0.061 nan 8.380 nan 0.000 0.505 261 G N 0.894 109.665 108.800 -0.049 0.000 2.244 261 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.274 261 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.274 261 G C 0.237 175.060 174.900 -0.129 0.000 1.002 261 G CA 0.959 46.026 45.100 -0.054 0.000 0.740 261 G HN 0.335 nan 8.290 nan 0.000 0.516 262 K N -0.969 119.393 120.400 -0.063 0.000 2.210 262 K HA 0.701 5.020 4.320 -0.001 0.000 0.236 262 K C -0.010 176.602 176.600 0.021 0.000 1.016 262 K CA -0.782 55.498 56.287 -0.012 0.000 0.913 262 K CB 0.899 33.571 32.500 0.286 0.000 1.141 262 K HN 0.456 nan 8.250 nan 0.000 0.462 263 H N -0.683 118.530 119.070 0.239 0.000 2.529 263 H HA 0.594 5.149 4.556 -0.001 0.000 0.348 263 H C -1.148 174.241 175.328 0.103 0.000 1.079 263 H CA -1.103 55.012 56.048 0.113 0.000 1.198 263 H CB 1.965 31.721 29.762 -0.010 0.000 1.521 263 H HN 0.584 nan 8.280 nan 0.000 0.514 264 A N 2.778 125.706 122.820 0.181 0.000 2.413 264 A HA 0.617 4.936 4.320 -0.001 0.000 0.307 264 A C -1.708 175.873 177.584 -0.006 0.000 1.087 264 A CA -0.652 51.400 52.037 0.025 0.000 0.750 264 A CB 1.506 20.532 19.000 0.042 0.000 1.296 264 A HN 0.500 nan 8.150 nan 0.000 0.423 265 L N 1.944 123.140 121.223 -0.045 0.000 2.376 265 L HA 0.764 5.104 4.340 -0.001 0.000 0.275 265 L C -1.187 175.625 176.870 -0.097 0.000 0.987 265 L CA -0.340 54.463 54.840 -0.060 0.000 0.828 265 L CB 1.218 43.253 42.059 -0.040 0.000 1.249 265 L HN 0.702 nan 8.230 nan 0.000 0.409 266 I N 5.105 125.567 120.570 -0.180 0.000 2.433 266 I HA 0.560 4.730 4.170 -0.001 0.000 0.292 266 I C -1.274 174.552 176.117 -0.486 0.000 1.001 266 I CA -0.693 60.410 61.300 -0.328 0.000 1.119 266 I CB 1.479 39.231 38.000 -0.413 0.000 1.289 266 I HN 0.596 nan 8.210 nan 0.000 0.438 267 I N 8.292 128.611 120.570 -0.418 0.000 2.339 267 I HA 0.237 4.406 4.170 -0.001 0.000 0.290 267 I C -1.030 174.781 176.117 -0.510 0.000 0.994 267 I CA -0.223 60.858 61.300 -0.366 0.000 1.191 267 I CB 0.924 38.861 38.000 -0.106 0.000 1.343 267 I HN 0.313 nan 8.210 nan 0.000 0.458 268 Y N 4.024 124.198 120.300 -0.211 0.000 2.700 268 Y HA 0.379 4.928 4.550 -0.001 0.000 0.333 268 Y C 0.089 175.843 175.900 -0.243 0.000 1.036 268 Y CA -0.929 57.019 58.100 -0.253 0.000 1.287 268 Y CB 0.250 38.564 38.460 -0.243 0.000 1.132 268 Y HN 0.406 nan 8.280 nan 0.000 0.510 269 D N 3.316 123.596 120.400 -0.199 0.000 2.473 269 D HA 0.219 4.858 4.640 -0.001 0.000 0.226 269 D C -1.096 175.154 176.300 -0.082 0.000 1.089 269 D CA -0.413 53.500 54.000 -0.144 0.000 0.883 269 D CB 0.380 41.031 40.800 -0.248 0.000 1.029 269 D HN 0.573 nan 8.370 nan 0.000 0.517 270 D N 0.980 121.362 120.400 -0.031 0.000 2.493 270 D HA 0.263 4.902 4.640 -0.001 0.000 0.239 270 D C 0.938 177.213 176.300 -0.042 0.000 1.049 270 D CA -0.747 53.237 54.000 -0.026 0.000 1.008 270 D CB 1.151 41.951 40.800 -0.001 0.000 1.398 270 D HN 0.116 nan 8.370 nan 0.000 0.513 271 L N 0.223 121.390 121.223 -0.093 0.000 2.591 271 L HA 0.066 4.405 4.340 -0.001 0.000 0.228 271 L C 1.467 178.336 176.870 -0.001 0.000 1.133 271 L CA 0.243 54.977 54.840 -0.177 0.000 0.880 271 L CB -0.151 41.586 42.059 -0.537 0.000 1.033 271 L HN 0.383 nan 8.230 nan 0.000 0.450 272 S N 0.083 115.804 115.700 0.036 0.000 2.356 272 S HA -0.069 4.401 4.470 -0.001 0.000 0.219 272 S C 1.871 176.558 174.600 0.146 0.000 1.036 272 S CA 0.918 59.179 58.200 0.102 0.000 0.965 272 S CB 0.150 63.397 63.200 0.078 0.000 0.864 272 S HN 0.358 nan 8.310 nan 0.000 0.471 273 K N 1.238 121.703 120.400 0.108 0.000 2.211 273 K HA -0.074 4.246 4.320 -0.001 0.000 0.203 273 K C 2.321 179.012 176.600 0.152 0.000 1.050 273 K CA 0.772 57.131 56.287 0.120 0.000 0.945 273 K CB -0.106 32.444 32.500 0.085 0.000 0.732 273 K HN 0.351 nan 8.250 nan 0.000 0.451 274 Q N 0.919 120.807 119.800 0.147 0.000 2.046 274 Q HA -0.134 4.206 4.340 -0.001 0.000 0.200 274 Q C 2.131 178.307 176.000 0.293 0.000 0.975 274 Q CA 1.394 57.312 55.803 0.192 0.000 0.836 274 Q CB -0.085 28.731 28.738 0.130 0.000 0.896 274 Q HN 0.316 nan 8.270 nan 0.000 0.428 275 A N 0.257 123.261 122.820 0.307 0.000 1.917 275 A HA -0.166 4.153 4.320 -0.001 0.000 0.219 275 A C 2.250 180.109 177.584 0.459 0.000 1.182 275 A CA 1.692 53.940 52.037 0.352 0.000 0.633 275 A CB -0.868 18.245 19.000 0.188 0.000 0.819 275 A HN 0.307 nan 8.150 nan 0.000 0.448 276 V N -0.247 119.886 119.914 0.366 0.000 2.287 276 V HA -0.279 3.840 4.120 -0.001 0.000 0.248 276 V C 3.080 179.285 176.094 0.184 0.000 1.053 276 V CA 2.060 64.506 62.300 0.243 0.000 1.027 276 V CB -1.264 30.661 31.823 0.169 0.000 0.646 276 V HN 0.650 nan 8.190 nan 0.000 0.447 277 A N -0.824 122.124 122.820 0.214 0.000 1.883 277 A HA -0.306 4.014 4.320 -0.001 0.000 0.217 277 A C 2.190 179.916 177.584 0.236 0.000 1.186 277 A CA 2.351 54.513 52.037 0.208 0.000 0.624 277 A CB -0.874 18.279 19.000 0.256 0.000 0.822 277 A HN 0.640 nan 8.150 nan 0.000 0.444 278 Y N 0.605 121.016 120.300 0.184 0.000 2.097 278 Y HA -0.249 4.300 4.550 -0.001 0.000 0.282 278 Y C 2.499 178.430 175.900 0.052 0.000 1.152 278 Y CA 2.164 60.329 58.100 0.108 0.000 1.136 278 Y CB -0.679 37.898 38.460 0.195 0.000 0.975 278 Y HN 0.364 nan 8.280 nan 0.000 0.498 279 R N 0.319 120.815 120.500 -0.006 0.000 2.096 279 R HA -0.302 4.038 4.340 -0.001 0.000 0.240 279 R C 2.511 178.710 176.300 -0.168 0.000 1.139 279 R CA 2.257 58.268 56.100 -0.148 0.000 0.952 279 R CB -0.528 29.697 30.300 -0.125 0.000 0.854 279 R HN 0.653 nan 8.270 nan 0.000 0.436 280 Q N 0.297 120.049 119.800 -0.081 0.000 1.993 280 Q HA -0.259 4.080 4.340 -0.001 0.000 0.202 280 Q C 2.252 178.194 176.000 -0.095 0.000 0.984 280 Q CA 2.146 57.907 55.803 -0.070 0.000 0.837 280 Q CB -0.255 28.473 28.738 -0.017 0.000 0.902 280 Q HN 0.502 nan 8.270 nan 0.000 0.423 281 M N -0.039 119.509 119.600 -0.086 0.000 2.082 281 M HA -0.221 4.258 4.480 -0.001 0.000 0.258 281 M C 2.287 178.486 176.300 -0.168 0.000 1.069 281 M CA 2.194 57.425 55.300 -0.115 0.000 1.102 281 M CB -0.256 32.269 32.600 -0.124 0.000 1.336 281 M HN 0.283 nan 8.290 nan 0.000 0.404 282 S N 0.402 115.938 115.700 -0.274 0.000 2.368 282 S HA -0.091 4.378 4.470 -0.001 0.000 0.225 282 S C 1.741 176.225 174.600 -0.193 0.000 1.030 282 S CA 1.318 59.336 58.200 -0.304 0.000 0.999 282 S CB -0.360 62.463 63.200 -0.628 0.000 0.844 282 S HN 0.561 nan 8.310 nan 0.000 0.459 283 L N 0.832 121.953 121.223 -0.169 0.000 2.056 283 L HA -0.007 4.332 4.340 -0.001 0.000 0.207 283 L C 2.069 178.886 176.870 -0.089 0.000 1.078 283 L CA 0.859 55.629 54.840 -0.117 0.000 0.749 283 L CB -0.449 41.544 42.059 -0.109 0.000 0.901 283 L HN 0.304 nan 8.230 nan 0.000 0.433 284 L N -0.523 120.647 121.223 -0.088 0.000 2.450 284 L HA -0.178 4.161 4.340 -0.001 0.000 0.224 284 L C 1.958 178.790 176.870 -0.064 0.000 1.149 284 L CA 0.737 55.536 54.840 -0.068 0.000 0.816 284 L CB -0.256 41.765 42.059 -0.064 0.000 0.932 284 L HN 0.300 nan 8.230 nan 0.000 0.449 285 L N -0.303 120.875 121.223 -0.075 0.000 2.592 285 L HA 0.139 4.479 4.340 -0.001 0.000 0.227 285 L C 0.525 177.367 176.870 -0.048 0.000 1.127 285 L CA -0.123 54.681 54.840 -0.059 0.000 0.884 285 L CB 0.108 42.127 42.059 -0.065 0.000 1.065 285 L HN 0.255 nan 8.230 nan 0.000 0.457 286 R N -0.551 119.918 120.500 -0.052 0.000 3.774 286 R HA -0.162 4.177 4.340 -0.001 0.000 0.320 286 R C -0.116 176.159 176.300 -0.041 0.000 1.175 286 R CA 0.446 56.521 56.100 -0.042 0.000 0.849 286 R CB -2.412 27.870 30.300 -0.030 0.000 1.365 286 R HN 0.338 nan 8.270 nan 0.000 0.502 287 R N 1.826 122.294 120.500 -0.054 0.000 2.267 287 R HA 0.244 4.583 4.340 -0.001 0.000 0.319 287 R C -1.938 174.335 176.300 -0.044 0.000 1.067 287 R CA -1.673 54.401 56.100 -0.044 0.000 0.936 287 R CB 0.632 30.898 30.300 -0.056 0.000 1.006 287 R HN -0.139 nan 8.270 nan 0.000 0.452 288 P HA -0.040 nan 4.420 nan 0.000 0.261 288 P C -2.281 175.004 177.300 -0.025 0.000 1.173 288 P CA -0.664 62.422 63.100 -0.024 0.000 0.760 288 P CB -0.023 31.670 31.700 -0.012 0.000 0.783 289 P HA 0.197 nan 4.420 nan 0.000 0.272 289 P C 0.266 177.565 177.300 -0.002 0.000 1.230 289 P CA 0.137 63.218 63.100 -0.031 0.000 0.788 289 P CB 0.871 32.542 31.700 -0.048 0.000 0.949 290 G N 0.510 109.327 108.800 0.028 0.000 3.257 290 G HA2 0.415 4.374 3.960 -0.001 0.000 0.205 290 G HA3 0.415 4.374 3.960 -0.001 0.000 0.205 290 G C -0.674 174.251 174.900 0.041 0.000 1.234 290 G CA -0.948 44.178 45.100 0.042 0.000 0.918 290 G HN 0.556 nan 8.290 nan 0.000 0.602 291 R N 0.394 120.907 120.500 0.020 0.000 2.566 291 R HA 0.047 4.386 4.340 -0.001 0.000 0.273 291 R C 0.398 176.740 176.300 0.068 0.000 0.981 291 R CA 1.318 57.375 56.100 -0.071 0.000 1.091 291 R CB -0.234 29.856 30.300 -0.349 0.000 0.924 291 R HN 0.721 nan 8.270 nan 0.000 0.411 292 E N 2.382 122.603 120.200 0.035 0.000 2.971 292 E HA -0.380 3.969 4.350 -0.001 0.000 0.271 292 E C 0.413 177.026 176.600 0.022 0.000 1.053 292 E CA 0.636 57.107 56.400 0.118 0.000 0.817 292 E CB -1.019 28.880 29.700 0.332 0.000 1.410 292 E HN 0.880 nan 8.360 nan 0.000 0.445 293 A N -2.819 119.991 122.820 -0.017 0.000 3.663 293 A HA -0.287 4.032 4.320 -0.001 0.000 0.254 293 A C 0.166 177.661 177.584 -0.149 0.000 1.037 293 A CA 1.485 53.451 52.037 -0.119 0.000 1.450 293 A CB -1.689 17.192 19.000 -0.198 0.000 1.014 293 A HN 0.355 nan 8.150 nan 0.000 0.865 294 Y N 0.356 120.690 120.300 0.056 0.000 2.314 294 Y HA 0.472 5.021 4.550 -0.001 0.000 0.334 294 Y C -1.666 174.254 175.900 0.032 0.000 1.266 294 Y CA -1.470 56.662 58.100 0.053 0.000 1.391 294 Y CB -0.036 38.513 38.460 0.148 0.000 1.306 294 Y HN 0.126 nan 8.280 nan 0.000 0.558 295 P HA -0.034 nan 4.420 nan 0.000 0.268 295 P C 0.627 178.046 177.300 0.198 0.000 1.208 295 P CA 0.555 63.702 63.100 0.078 0.000 0.777 295 P CB 0.597 32.263 31.700 -0.057 0.000 0.875 296 G N 1.594 110.488 108.800 0.157 0.000 2.559 296 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.216 296 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.216 296 G C 0.420 175.458 174.900 0.230 0.000 1.126 296 G CA 0.387 45.592 45.100 0.175 0.000 0.778 296 G HN 0.617 nan 8.290 nan 0.000 0.543 297 D N 0.576 121.144 120.400 0.279 0.000 2.643 297 D HA 0.071 4.710 4.640 -0.001 0.000 0.244 297 D C 1.803 178.293 176.300 0.317 0.000 1.257 297 D CA -0.199 53.996 54.000 0.326 0.000 0.831 297 D CB -0.084 40.930 40.800 0.356 0.000 1.043 297 D HN 0.184 nan 8.370 nan 0.000 0.488 298 V N -1.534 118.543 119.914 0.271 0.000 2.515 298 V HA -0.138 3.981 4.120 -0.001 0.000 0.250 298 V C 2.228 178.293 176.094 -0.049 0.000 1.058 298 V CA 0.893 63.241 62.300 0.080 0.000 1.064 298 V CB -1.343 30.434 31.823 -0.075 0.000 0.675 298 V HN 0.196 nan 8.190 nan 0.000 0.461 299 F N 1.230 121.153 119.950 -0.046 0.000 2.046 299 F HA -0.235 4.291 4.527 -0.001 0.000 0.297 299 F C 2.411 178.237 175.800 0.045 0.000 1.123 299 F CA 1.999 59.979 58.000 -0.033 0.000 1.199 299 F CB -0.854 38.165 39.000 0.030 0.000 0.972 299 F HN 0.184 nan 8.300 nan 0.000 0.474 300 Y N 1.039 121.310 120.300 -0.049 0.000 2.139 300 Y HA -0.281 4.268 4.550 -0.001 0.000 0.282 300 Y C 2.339 178.103 175.900 -0.227 0.000 1.179 300 Y CA 1.882 59.866 58.100 -0.194 0.000 1.161 300 Y CB -1.226 37.237 38.460 0.005 0.000 0.970 300 Y HN 0.307 nan 8.280 nan 0.000 0.511 301 L N -0.277 120.765 121.223 -0.301 0.000 2.021 301 L HA -0.301 4.038 4.340 -0.001 0.000 0.215 301 L C 2.201 178.889 176.870 -0.303 0.000 1.074 301 L CA 2.586 57.167 54.840 -0.432 0.000 0.760 301 L CB -0.829 40.910 42.059 -0.534 0.000 0.889 301 L HN 0.396 nan 8.230 nan 0.000 0.433 302 H N -1.599 117.296 119.070 -0.291 0.000 2.465 302 H HA -0.007 4.548 4.556 -0.001 0.000 0.289 302 H C 2.392 177.506 175.328 -0.357 0.000 1.022 302 H CA 0.678 56.532 56.048 -0.323 0.000 1.340 302 H CB 0.074 29.679 29.762 -0.261 0.000 1.437 302 H HN 0.576 nan 8.280 nan 0.000 0.539 303 S N 1.298 116.781 115.700 -0.361 0.000 2.348 303 S HA -0.244 4.225 4.470 -0.001 0.000 0.221 303 S C 2.065 176.554 174.600 -0.186 0.000 1.033 303 S CA 1.069 59.046 58.200 -0.371 0.000 1.010 303 S CB -0.338 62.456 63.200 -0.676 0.000 0.891 303 S HN 0.295 nan 8.310 nan 0.000 0.442 304 R N 0.555 120.947 120.500 -0.180 0.000 2.134 304 R HA -0.158 4.182 4.340 -0.001 0.000 0.248 304 R C 2.427 178.683 176.300 -0.073 0.000 1.143 304 R CA 1.891 57.915 56.100 -0.127 0.000 0.957 304 R CB -0.624 29.448 30.300 -0.379 0.000 0.867 304 R HN 0.546 nan 8.270 nan 0.000 0.441 305 L N 0.399 121.552 121.223 -0.117 0.000 1.993 305 L HA -0.084 4.255 4.340 -0.001 0.000 0.206 305 L C 1.933 178.707 176.870 -0.160 0.000 1.074 305 L CA 1.622 56.345 54.840 -0.195 0.000 0.746 305 L CB -0.331 41.423 42.059 -0.508 0.000 0.896 305 L HN 0.181 nan 8.230 nan 0.000 0.435 306 L N -0.333 120.790 121.223 -0.166 0.000 2.362 306 L HA -0.111 4.228 4.340 -0.001 0.000 0.219 306 L C 2.422 179.277 176.870 -0.026 0.000 1.134 306 L CA 0.565 55.364 54.840 -0.067 0.000 0.807 306 L CB -0.700 41.312 42.059 -0.078 0.000 0.927 306 L HN 0.375 nan 8.230 nan 0.000 0.447 307 E N 0.491 120.670 120.200 -0.035 0.000 2.268 307 E HA -0.152 4.197 4.350 -0.001 0.000 0.195 307 E C 2.212 178.813 176.600 0.001 0.000 0.995 307 E CA 0.672 57.065 56.400 -0.011 0.000 0.836 307 E CB 0.076 29.773 29.700 -0.005 0.000 0.763 307 E HN 0.491 nan 8.360 nan 0.000 0.491 308 R N 0.658 121.163 120.500 0.008 0.000 2.148 308 R HA 0.002 4.342 4.340 -0.001 0.000 0.227 308 R C 1.042 177.363 176.300 0.035 0.000 1.103 308 R CA 0.638 56.753 56.100 0.025 0.000 0.983 308 R CB -0.131 30.192 30.300 0.038 0.000 0.874 308 R HN -0.060 nan 8.270 nan 0.000 0.451 309 A N 1.064 123.909 122.820 0.042 0.000 2.492 309 A HA 0.525 4.844 4.320 -0.001 0.000 0.254 309 A C -0.134 177.460 177.584 0.016 0.000 1.091 309 A CA 0.358 52.418 52.037 0.037 0.000 0.768 309 A CB 0.211 19.234 19.000 0.039 0.000 1.028 309 A HN 0.350 nan 8.150 nan 0.000 0.498 310 A N 2.300 125.127 122.820 0.012 0.000 2.586 310 A HA 0.692 5.012 4.320 -0.001 0.000 0.291 310 A C -0.875 176.709 177.584 0.000 0.000 1.062 310 A CA -0.741 51.295 52.037 -0.002 0.000 0.666 310 A CB 0.957 19.949 19.000 -0.013 0.000 1.281 310 A HN 0.907 nan 8.150 nan 0.000 0.421 311 K N 1.665 122.058 120.400 -0.011 0.000 2.316 311 K HA 0.598 4.917 4.320 -0.001 0.000 0.267 311 K C -0.566 176.034 176.600 0.000 0.000 1.025 311 K CA -0.308 55.979 56.287 -0.001 0.000 0.896 311 K CB 0.394 32.885 32.500 -0.014 0.000 1.124 311 K HN 0.620 nan 8.250 nan 0.000 0.451 312 M N 2.992 122.608 119.600 0.026 0.000 2.274 312 M HA 0.212 4.692 4.480 -0.001 0.000 0.344 312 M C 0.322 176.671 176.300 0.082 0.000 1.161 312 M CA -0.738 54.574 55.300 0.019 0.000 1.126 312 M CB 0.448 33.084 32.600 0.061 0.000 1.522 312 M HN 0.717 nan 8.290 nan 0.000 0.461 313 N N 1.051 119.821 118.700 0.117 0.000 2.381 313 N HA 0.057 4.797 4.740 -0.001 0.000 0.254 313 N C 0.128 175.749 175.510 0.186 0.000 1.264 313 N CA -0.239 52.903 53.050 0.152 0.000 0.942 313 N CB 0.427 39.016 38.487 0.169 0.000 1.190 313 N HN 0.426 nan 8.380 nan 0.000 0.495 314 D N -0.335 120.136 120.400 0.119 0.000 2.182 314 D HA -0.154 4.485 4.640 -0.001 0.000 0.201 314 D C 1.576 177.913 176.300 0.062 0.000 0.986 314 D CA 1.639 55.686 54.000 0.079 0.000 0.847 314 D CB -0.499 40.329 40.800 0.045 0.000 0.942 314 D HN 0.732 nan 8.370 nan 0.000 0.467 315 A N -0.140 122.731 122.820 0.086 0.000 2.070 315 A HA -0.136 4.184 4.320 -0.001 0.000 0.220 315 A C 1.231 178.644 177.584 -0.286 0.000 1.159 315 A CA 0.889 52.875 52.037 -0.085 0.000 0.656 315 A CB -0.470 18.480 19.000 -0.084 0.000 0.800 315 A HN 0.170 nan 8.150 nan 0.000 0.453 316 F N -1.689 118.261 119.950 0.000 0.000 2.698 316 F HA 0.452 4.978 4.527 -0.001 0.000 0.304 316 F C 1.580 177.375 175.800 -0.009 0.000 1.108 316 F CA 0.214 58.212 58.000 -0.004 0.000 1.263 316 F CB 0.544 39.545 39.000 0.001 0.000 1.013 316 F HN 0.287 nan 8.300 nan 0.000 0.532 317 G N -0.501 108.365 108.800 0.111 0.000 2.218 317 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.216 317 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.216 317 G C 1.315 176.256 174.900 0.068 0.000 0.994 317 G CA -0.128 45.006 45.100 0.057 0.000 0.637 317 G HN 1.013 nan 8.290 nan 0.000 0.505 318 G N -0.232 108.636 108.800 0.113 0.000 2.186 318 G HA2 0.123 4.082 3.960 -0.001 0.000 0.266 318 G HA3 0.123 4.082 3.960 -0.001 0.000 0.266 318 G C 1.546 176.549 174.900 0.173 0.000 0.982 318 G CA 1.289 46.462 45.100 0.122 0.000 0.670 318 G HN 2.097 nan 8.290 nan 0.000 0.533 319 G N -0.629 108.252 108.800 0.135 0.000 2.653 319 G HA2 0.701 4.660 3.960 -0.001 0.000 0.265 319 G HA3 0.701 4.660 3.960 -0.001 0.000 0.265 319 G C 0.333 175.381 174.900 0.246 0.000 1.237 319 G CA 1.068 46.279 45.100 0.185 0.000 0.946 319 G HN 1.896 nan 8.290 nan 0.000 0.522 320 S N -1.904 113.984 115.700 0.313 0.000 2.615 320 S HA 0.603 5.072 4.470 -0.001 0.000 0.269 320 S C -1.758 172.923 174.600 0.135 0.000 1.161 320 S CA -0.797 57.495 58.200 0.154 0.000 0.817 320 S CB 1.848 65.067 63.200 0.031 0.000 1.131 320 S HN 1.178 nan 8.310 nan 0.000 0.467 321 L N 1.453 122.716 121.223 0.068 0.000 2.406 321 L HA 0.759 5.098 4.340 -0.001 0.000 0.272 321 L C -0.920 175.954 176.870 0.006 0.000 0.980 321 L CA 0.219 55.092 54.840 0.054 0.000 0.831 321 L CB 1.854 43.957 42.059 0.073 0.000 1.253 321 L HN 0.958 nan 8.230 nan 0.000 0.406 322 T N 4.235 118.776 114.554 -0.022 0.000 2.797 322 T HA 0.869 5.218 4.350 -0.001 0.000 0.279 322 T C -0.404 174.257 174.700 -0.065 0.000 0.991 322 T CA -0.310 61.763 62.100 -0.045 0.000 0.979 322 T CB 1.466 70.295 68.868 -0.065 0.000 0.943 322 T HN 0.794 nan 8.240 nan 0.000 0.444 323 A N 3.285 126.074 122.820 -0.051 0.000 2.350 323 A HA 0.813 5.132 4.320 -0.001 0.000 0.324 323 A C -0.616 176.924 177.584 -0.074 0.000 1.118 323 A CA -0.744 51.237 52.037 -0.094 0.000 0.783 323 A CB 0.773 19.791 19.000 0.031 0.000 1.236 323 A HN 0.863 nan 8.150 nan 0.000 0.457 324 L N 3.984 125.127 121.223 -0.133 0.000 2.445 324 L HA 0.321 4.660 4.340 -0.001 0.000 0.252 324 L C -2.435 174.400 176.870 -0.059 0.000 1.105 324 L CA -1.725 53.073 54.840 -0.070 0.000 0.943 324 L CB 1.638 43.662 42.059 -0.059 0.000 1.277 324 L HN 0.484 nan 8.230 nan 0.000 0.465 325 P HA 0.202 nan 4.420 nan 0.000 0.278 325 P C -0.541 176.761 177.300 0.004 0.000 1.238 325 P CA -0.195 62.952 63.100 0.079 0.000 0.794 325 P CB 1.988 33.717 31.700 0.049 0.000 0.955 326 V N 3.985 123.893 119.914 -0.010 0.000 2.581 326 V HA 0.484 4.604 4.120 -0.001 0.000 0.303 326 V C 0.241 176.322 176.094 -0.023 0.000 1.041 326 V CA -0.598 61.698 62.300 -0.007 0.000 0.907 326 V CB 1.859 33.684 31.823 0.004 0.000 0.994 326 V HN 0.421 nan 8.190 nan 0.000 0.442 327 I N 2.871 123.441 120.570 -0.001 0.000 2.619 327 I HA 0.407 4.576 4.170 -0.001 0.000 0.292 327 I C -0.243 175.898 176.117 0.039 0.000 1.100 327 I CA -0.426 60.876 61.300 0.004 0.000 1.043 327 I CB 2.244 40.241 38.000 -0.005 0.000 1.239 327 I HN 0.824 nan 8.210 nan 0.000 0.420 328 E N 4.754 124.982 120.200 0.047 0.000 2.115 328 E HA 0.403 4.752 4.350 -0.001 0.000 0.282 328 E C -0.386 176.260 176.600 0.076 0.000 0.987 328 E CA -0.387 56.049 56.400 0.060 0.000 0.797 328 E CB 1.066 30.798 29.700 0.055 0.000 1.086 328 E HN 0.697 nan 8.360 nan 0.000 0.397 329 T N 1.914 116.526 114.554 0.097 0.000 2.824 329 T HA 0.327 4.676 4.350 -0.001 0.000 0.277 329 T C -0.021 174.737 174.700 0.095 0.000 0.975 329 T CA -0.925 61.241 62.100 0.109 0.000 0.966 329 T CB 1.263 70.230 68.868 0.166 0.000 1.054 329 T HN 0.437 nan 8.240 nan 0.000 0.533 330 Q N -0.091 119.765 119.800 0.094 0.000 2.353 330 Q HA 0.552 4.891 4.340 -0.001 0.000 0.268 330 Q C -0.077 175.973 176.000 0.084 0.000 1.045 330 Q CA -0.723 55.128 55.803 0.080 0.000 0.811 330 Q CB 1.935 30.718 28.738 0.075 0.000 1.305 330 Q HN 1.277 nan 8.270 nan 0.000 0.447 331 A N 1.638 124.503 122.820 0.075 0.000 2.466 331 A HA -0.172 4.147 4.320 -0.001 0.000 0.295 331 A C 1.147 178.794 177.584 0.105 0.000 1.465 331 A CA 1.008 53.091 52.037 0.077 0.000 0.744 331 A CB -2.197 16.842 19.000 0.065 0.000 1.098 331 A HN 1.489 nan 8.150 nan 0.000 0.402 332 G N -0.236 108.643 108.800 0.132 0.000 2.453 332 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.313 332 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.313 332 G C 0.086 175.125 174.900 0.232 0.000 0.948 332 G CA 1.294 46.531 45.100 0.229 0.000 0.846 332 G HN 1.705 nan 8.290 nan 0.000 0.512 333 D N -0.280 120.203 120.400 0.138 0.000 2.422 333 D HA 0.380 5.020 4.640 -0.001 0.000 0.227 333 D C 1.639 177.956 176.300 0.027 0.000 1.190 333 D CA 0.064 54.109 54.000 0.076 0.000 0.905 333 D CB 0.711 41.550 40.800 0.065 0.000 1.034 333 D HN 0.274 nan 8.370 nan 0.000 0.507 334 V N 1.296 121.162 119.914 -0.081 0.000 3.041 334 V HA -0.045 4.074 4.120 -0.001 0.000 0.260 334 V C 1.748 177.775 176.094 -0.111 0.000 1.105 334 V CA 0.853 63.038 62.300 -0.191 0.000 1.125 334 V CB -0.439 31.070 31.823 -0.522 0.000 0.730 334 V HN 0.356 nan 8.190 nan 0.000 0.479 335 S N 1.093 116.756 115.700 -0.062 0.000 2.461 335 S HA 0.317 4.786 4.470 -0.001 0.000 0.228 335 S C 1.417 176.027 174.600 0.016 0.000 1.005 335 S CA 0.481 58.664 58.200 -0.027 0.000 0.942 335 S CB -0.439 62.753 63.200 -0.015 0.000 0.776 335 S HN 0.916 nan 8.310 nan 0.000 0.514 336 A N 1.550 124.390 122.820 0.034 0.000 2.616 336 A HA -0.014 4.305 4.320 -0.001 0.000 0.234 336 A C 0.948 178.596 177.584 0.107 0.000 1.024 336 A CA 0.112 52.198 52.037 0.082 0.000 0.758 336 A CB -0.413 18.634 19.000 0.077 0.000 0.939 336 A HN 0.439 nan 8.150 nan 0.000 0.510 337 Y N 2.974 123.286 120.300 0.020 0.000 2.030 337 Y HA -0.304 4.246 4.550 -0.001 0.000 0.272 337 Y C 1.683 177.589 175.900 0.009 0.000 1.185 337 Y CA 2.739 60.848 58.100 0.016 0.000 1.120 337 Y CB -0.523 37.955 38.460 0.030 0.000 0.955 337 Y HN 0.602 nan 8.280 nan 0.000 0.495 338 I N 0.218 120.672 120.570 -0.193 0.000 2.113 338 I HA -0.202 3.967 4.170 -0.001 0.000 0.238 338 I C -0.621 175.415 176.117 -0.135 0.000 1.070 338 I CA 1.722 62.842 61.300 -0.299 0.000 1.332 338 I CB -1.683 36.173 38.000 -0.240 0.000 1.044 338 I HN 0.166 nan 8.210 nan 0.000 0.402 339 P HA -0.229 nan 4.420 nan 0.000 0.217 339 P C 1.687 178.963 177.300 -0.040 0.000 1.162 339 P CA 2.783 65.866 63.100 -0.029 0.000 0.901 339 P CB -0.387 31.306 31.700 -0.012 0.000 0.793 340 T N -4.448 110.082 114.554 -0.040 0.000 2.904 340 T HA -0.081 4.269 4.350 -0.001 0.000 0.267 340 T C 1.703 176.389 174.700 -0.024 0.000 1.059 340 T CA 1.101 63.184 62.100 -0.029 0.000 1.137 340 T CB -1.088 67.773 68.868 -0.012 0.000 0.879 340 T HN -0.036 nan 8.240 nan 0.000 0.467 341 N N 1.565 120.219 118.700 -0.076 0.000 2.036 341 N HA -0.081 4.658 4.740 -0.001 0.000 0.195 341 N C 1.908 177.487 175.510 0.116 0.000 1.037 341 N CA 1.445 54.489 53.050 -0.010 0.000 0.855 341 N CB -0.804 37.617 38.487 -0.111 0.000 1.033 341 N HN 0.380 nan 8.380 nan 0.000 0.423 342 V N 1.063 121.008 119.914 0.051 0.000 2.453 342 V HA -0.059 4.060 4.120 -0.001 0.000 0.247 342 V C 2.159 178.272 176.094 0.032 0.000 1.048 342 V CA 0.886 63.213 62.300 0.044 0.000 1.049 342 V CB -0.377 31.435 31.823 -0.018 0.000 0.672 342 V HN 0.259 nan 8.190 nan 0.000 0.457 343 I N 1.598 122.178 120.570 0.015 0.000 2.567 343 I HA -0.170 3.999 4.170 -0.001 0.000 0.257 343 I C 2.194 178.331 176.117 0.033 0.000 1.184 343 I CA 1.733 63.039 61.300 0.009 0.000 1.451 343 I CB -0.282 37.708 38.000 -0.017 0.000 1.089 343 I HN 0.493 nan 8.210 nan 0.000 0.441 344 S N -0.562 115.177 115.700 0.066 0.000 2.671 344 S HA 0.222 4.691 4.470 -0.001 0.000 0.220 344 S C 1.265 175.957 174.600 0.154 0.000 0.951 344 S CA -0.072 58.183 58.200 0.092 0.000 0.932 344 S CB -0.153 63.092 63.200 0.075 0.000 0.777 344 S HN 0.415 nan 8.310 nan 0.000 0.508 345 I N 1.047 121.690 120.570 0.122 0.000 3.673 345 I HA 0.089 4.258 4.170 -0.001 0.000 0.281 345 I C 1.328 177.471 176.117 0.043 0.000 1.182 345 I CA 0.483 61.841 61.300 0.097 0.000 1.391 345 I CB 0.164 38.190 38.000 0.042 0.000 1.383 345 I HN 0.355 nan 8.210 nan 0.000 0.456 346 T N -1.553 113.017 114.554 0.027 0.000 2.754 346 T HA 0.084 4.433 4.350 -0.001 0.000 0.286 346 T C 0.283 174.993 174.700 0.018 0.000 0.997 346 T CA -0.357 61.752 62.100 0.015 0.000 0.982 346 T CB 0.616 69.489 68.868 0.008 0.000 1.027 346 T HN 0.027 nan 8.240 nan 0.000 0.529 347 D N 0.827 121.233 120.400 0.011 0.000 2.690 347 D HA 0.421 5.061 4.640 -0.001 0.000 0.236 347 D C 0.914 177.220 176.300 0.009 0.000 1.218 347 D CA 0.325 54.330 54.000 0.009 0.000 0.829 347 D CB -0.415 40.387 40.800 0.002 0.000 1.009 347 D HN 0.990 nan 8.370 nan 0.000 0.482 348 G N 0.712 109.520 108.800 0.012 0.000 2.347 348 G HA2 0.174 4.133 3.960 -0.001 0.000 0.477 348 G HA3 0.174 4.133 3.960 -0.001 0.000 0.477 348 G C -1.798 173.114 174.900 0.020 0.000 1.349 348 G CA -1.018 44.091 45.100 0.015 0.000 1.000 348 G HN 0.090 nan 8.290 nan 0.000 0.605 349 Q N -1.267 118.551 119.800 0.030 0.000 2.435 349 Q HA 0.746 5.085 4.340 -0.001 0.000 0.282 349 Q C -0.729 175.316 176.000 0.075 0.000 1.020 349 Q CA -0.624 55.208 55.803 0.048 0.000 0.820 349 Q CB 2.160 30.929 28.738 0.050 0.000 1.436 349 Q HN 0.730 nan 8.270 nan 0.000 0.395 350 I N 1.983 122.608 120.570 0.092 0.000 2.390 350 I HA 0.389 4.558 4.170 -0.001 0.000 0.283 350 I C -1.149 175.073 176.117 0.175 0.000 1.016 350 I CA -0.720 60.643 61.300 0.104 0.000 1.151 350 I CB 0.628 38.663 38.000 0.059 0.000 1.293 350 I HN 0.516 nan 8.210 nan 0.000 0.458 351 F N 8.120 128.081 119.950 0.017 0.000 2.404 351 F HA 0.553 5.079 4.527 -0.001 0.000 0.354 351 F C -0.845 174.971 175.800 0.026 0.000 1.122 351 F CA -0.750 57.262 58.000 0.020 0.000 1.080 351 F CB 0.741 39.754 39.000 0.020 0.000 1.131 351 F HN 0.196 nan 8.300 nan 0.000 0.471 352 L N 6.162 127.149 121.223 -0.393 0.000 2.275 352 L HA 0.445 4.785 4.340 -0.001 0.000 0.288 352 L C -0.293 176.228 176.870 -0.582 0.000 1.046 352 L CA -0.501 54.120 54.840 -0.364 0.000 0.805 352 L CB 1.388 43.357 42.059 -0.149 0.000 1.193 352 L HN 0.586 nan 8.230 nan 0.000 0.426 353 E N 0.260 120.206 120.200 -0.424 0.000 2.195 353 E HA 0.185 4.534 4.350 -0.001 0.000 0.271 353 E C 0.514 177.041 176.600 -0.121 0.000 0.923 353 E CA -0.287 55.915 56.400 -0.330 0.000 0.790 353 E CB 2.104 31.662 29.700 -0.238 0.000 1.155 353 E HN 0.699 nan 8.360 nan 0.000 0.402 354 T N -0.787 113.722 114.554 -0.075 0.000 2.951 354 T HA -0.150 4.199 4.350 -0.001 0.000 0.268 354 T C 1.503 176.291 174.700 0.147 0.000 1.073 354 T CA 1.035 63.121 62.100 -0.023 0.000 1.134 354 T CB 0.090 68.982 68.868 0.039 0.000 0.884 354 T HN 0.543 nan 8.240 nan 0.000 0.479 355 E N 1.072 121.345 120.200 0.121 0.000 2.031 355 E HA -0.121 4.228 4.350 -0.001 0.000 0.193 355 E C 2.201 178.884 176.600 0.139 0.000 0.994 355 E CA 1.195 57.687 56.400 0.153 0.000 0.800 355 E CB -0.336 29.421 29.700 0.096 0.000 0.752 355 E HN 0.588 nan 8.360 nan 0.000 0.447 356 L N 0.062 121.331 121.223 0.078 0.000 2.012 356 L HA -0.173 4.166 4.340 -0.001 0.000 0.210 356 L C 2.588 179.494 176.870 0.060 0.000 1.073 356 L CA 1.310 56.182 54.840 0.054 0.000 0.748 356 L CB -0.589 41.478 42.059 0.014 0.000 0.891 356 L HN 0.213 nan 8.230 nan 0.000 0.431 357 F N -0.052 119.825 119.950 -0.123 0.000 2.065 357 F HA -0.316 4.210 4.527 -0.001 0.000 0.298 357 F C 2.409 178.074 175.800 -0.226 0.000 1.112 357 F CA 1.709 59.575 58.000 -0.224 0.000 1.212 357 F CB -0.430 38.346 39.000 -0.373 0.000 0.975 357 F HN -0.062 nan 8.300 nan 0.000 0.476 358 Y N 0.290 120.770 120.300 0.300 0.000 2.242 358 Y HA -0.143 4.407 4.550 -0.001 0.000 0.291 358 Y C 2.375 178.318 175.900 0.072 0.000 1.137 358 Y CA 1.548 59.761 58.100 0.188 0.000 1.181 358 Y CB -0.847 37.702 38.460 0.149 0.000 0.989 358 Y HN -0.003 nan 8.280 nan 0.000 0.527 359 K N -0.837 119.672 120.400 0.181 0.000 2.442 359 K HA -0.035 4.284 4.320 -0.001 0.000 0.198 359 K C 1.486 178.109 176.600 0.038 0.000 1.044 359 K CA 0.926 57.273 56.287 0.100 0.000 0.948 359 K CB -0.311 32.237 32.500 0.081 0.000 0.762 359 K HN 0.525 nan 8.250 nan 0.000 0.472 360 G N 0.231 109.018 108.800 -0.022 0.000 2.253 360 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.209 360 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.209 360 G C 0.045 174.879 174.900 -0.111 0.000 0.997 360 G CA -0.328 44.727 45.100 -0.075 0.000 0.640 360 G HN 0.105 nan 8.290 nan 0.000 0.496 361 I N 2.947 123.470 120.570 -0.079 0.000 2.455 361 I HA 0.269 4.438 4.170 -0.001 0.000 0.303 361 I C 0.660 176.696 176.117 -0.135 0.000 1.180 361 I CA 0.483 61.740 61.300 -0.072 0.000 1.469 361 I CB -0.936 37.054 38.000 -0.017 0.000 1.480 361 I HN 0.181 nan 8.210 nan 0.000 0.669 362 R N 6.241 126.632 120.500 -0.182 0.000 2.480 362 R HA 0.469 4.808 4.340 -0.001 0.000 0.306 362 R C -2.571 173.653 176.300 -0.127 0.000 0.958 362 R CA -1.849 54.118 56.100 -0.221 0.000 0.861 362 R CB 1.813 31.861 30.300 -0.420 0.000 1.171 362 R HN 0.157 nan 8.270 nan 0.000 0.445 363 P HA -0.051 nan 4.420 nan 0.000 0.267 363 P C -0.119 177.157 177.300 -0.040 0.000 1.200 363 P CA 0.161 63.228 63.100 -0.055 0.000 0.772 363 P CB 0.664 32.346 31.700 -0.029 0.000 0.855 364 A N 3.701 126.523 122.820 0.004 0.000 2.426 364 A HA 0.107 4.426 4.320 -0.001 0.000 0.247 364 A C 0.598 178.155 177.584 -0.045 0.000 1.389 364 A CA -0.136 51.900 52.037 -0.002 0.000 1.129 364 A CB -1.490 17.548 19.000 0.063 0.000 0.928 364 A HN 0.490 nan 8.150 nan 0.000 0.557 365 I N 1.197 121.752 120.570 -0.025 0.000 2.683 365 I HA -0.054 4.115 4.170 -0.001 0.000 0.286 365 I C 0.679 176.796 176.117 0.000 0.000 1.175 365 I CA -0.044 61.248 61.300 -0.013 0.000 1.429 365 I CB 0.384 38.392 38.000 0.012 0.000 1.371 365 I HN 0.329 nan 8.210 nan 0.000 0.569 366 N N 6.968 125.676 118.700 0.013 0.000 2.521 366 N HA 0.093 4.832 4.740 -0.001 0.000 0.236 366 N C 0.772 176.348 175.510 0.110 0.000 1.067 366 N CA -0.093 53.000 53.050 0.071 0.000 0.939 366 N CB 1.179 39.743 38.487 0.128 0.000 1.201 366 N HN 0.440 nan 8.380 nan 0.000 0.511 367 V N 3.961 123.925 119.914 0.083 0.000 2.233 367 V HA -0.299 3.820 4.120 -0.001 0.000 0.252 367 V C 2.395 178.538 176.094 0.080 0.000 1.063 367 V CA 2.573 64.919 62.300 0.077 0.000 1.032 367 V CB -1.086 30.783 31.823 0.076 0.000 0.645 367 V HN 0.760 nan 8.190 nan 0.000 0.446 368 G N -0.666 108.183 108.800 0.082 0.000 2.491 368 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.218 368 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.218 368 G C 1.479 176.424 174.900 0.074 0.000 1.180 368 G CA 1.207 46.349 45.100 0.070 0.000 0.774 368 G HN 0.507 nan 8.290 nan 0.000 0.562 369 L N 0.891 122.183 121.223 0.116 0.000 2.492 369 L HA 0.152 4.491 4.340 -0.001 0.000 0.223 369 L C 0.868 177.796 176.870 0.096 0.000 1.132 369 L CA -0.185 54.713 54.840 0.098 0.000 0.850 369 L CB -0.033 42.116 42.059 0.151 0.000 0.966 369 L HN 0.053 nan 8.230 nan 0.000 0.454 370 S N 0.060 115.833 115.700 0.122 0.000 2.610 370 S HA 0.560 5.029 4.470 -0.001 0.000 0.273 370 S C -0.124 174.511 174.600 0.058 0.000 1.274 370 S CA -0.622 57.639 58.200 0.101 0.000 1.023 370 S CB 2.094 65.359 63.200 0.107 0.000 0.962 370 S HN 0.095 nan 8.310 nan 0.000 0.523 371 V N -0.950 118.990 119.914 0.043 0.000 3.206 371 V HA 0.946 5.066 4.120 -0.001 0.000 0.305 371 V C -0.735 175.373 176.094 0.023 0.000 1.257 371 V CA -0.862 61.455 62.300 0.028 0.000 1.057 371 V CB 1.791 33.625 31.823 0.019 0.000 1.075 371 V HN 0.784 nan 8.190 nan 0.000 0.443 372 S N 0.540 116.249 115.700 0.016 0.000 2.733 372 S HA 0.519 4.988 4.470 -0.001 0.000 0.294 372 S C 0.376 174.980 174.600 0.007 0.000 1.149 372 S CA -0.766 57.441 58.200 0.010 0.000 1.034 372 S CB 1.661 64.865 63.200 0.007 0.000 1.015 372 S HN 0.854 nan 8.310 nan 0.000 0.486 373 R N 3.168 123.671 120.500 0.006 0.000 2.323 373 R HA 0.104 4.443 4.340 -0.001 0.000 0.198 373 R C 1.028 177.328 176.300 0.001 0.000 0.988 373 R CA 0.445 56.547 56.100 0.005 0.000 1.041 373 R CB -0.149 30.155 30.300 0.007 0.000 0.926 373 R HN 0.509 nan 8.270 nan 0.000 0.476 374 V N 0.139 120.052 119.914 -0.002 0.000 2.992 374 V HA 0.106 4.225 4.120 -0.001 0.000 0.250 374 V C 1.350 177.441 176.094 -0.005 0.000 1.090 374 V CA 1.090 63.386 62.300 -0.007 0.000 1.101 374 V CB -0.077 31.739 31.823 -0.013 0.000 0.743 374 V HN 0.649 nan 8.190 nan 0.000 0.468 375 G N 1.150 109.949 108.800 -0.002 0.000 2.601 375 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.252 375 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.252 375 G C 0.963 175.861 174.900 -0.004 0.000 1.294 375 G CA 0.573 45.672 45.100 -0.001 0.000 0.912 375 G HN 0.831 nan 8.290 nan 0.000 0.574 376 S N -0.330 115.368 115.700 -0.003 0.000 2.474 376 S HA 0.231 4.701 4.470 -0.001 0.000 0.235 376 S C 2.574 177.169 174.600 -0.008 0.000 0.997 376 S CA 1.621 59.819 58.200 -0.003 0.000 0.949 376 S CB -0.347 62.852 63.200 -0.000 0.000 0.766 376 S HN 2.172 nan 8.310 nan 0.000 0.517 377 A N 1.210 124.025 122.820 -0.009 0.000 2.194 377 A HA 0.305 4.624 4.320 -0.001 0.000 0.220 377 A C 2.031 179.603 177.584 -0.021 0.000 1.162 377 A CA 1.342 53.372 52.037 -0.013 0.000 0.674 377 A CB -0.863 18.130 19.000 -0.012 0.000 0.789 377 A HN 0.912 nan 8.150 nan 0.000 0.470 378 A N -1.557 121.250 122.820 -0.022 0.000 2.465 378 A HA 0.389 4.708 4.320 -0.001 0.000 0.255 378 A C 0.616 178.180 177.584 -0.032 0.000 1.274 378 A CA -0.227 51.790 52.037 -0.034 0.000 0.920 378 A CB 0.100 19.079 19.000 -0.035 0.000 1.033 378 A HN 0.553 nan 8.150 nan 0.000 0.516 379 Q N 0.670 120.457 119.800 -0.021 0.000 2.309 379 Q HA 0.426 4.765 4.340 -0.001 0.000 0.264 379 Q C 0.040 176.033 176.000 -0.012 0.000 1.008 379 Q CA -0.512 55.283 55.803 -0.015 0.000 0.853 379 Q CB 1.848 30.583 28.738 -0.005 0.000 1.314 379 Q HN 0.474 nan 8.270 nan 0.000 0.448 380 T N -0.706 113.843 114.554 -0.009 0.000 2.856 380 T HA 0.114 4.463 4.350 -0.001 0.000 0.306 380 T C 0.901 175.603 174.700 0.003 0.000 1.062 380 T CA -0.229 61.868 62.100 -0.005 0.000 1.083 380 T CB 0.825 69.694 68.868 0.001 0.000 0.984 380 T HN 0.582 nan 8.240 nan 0.000 0.542 381 R N 1.517 122.020 120.500 0.004 0.000 2.120 381 R HA 0.069 4.409 4.340 -0.001 0.000 0.234 381 R C 2.794 179.105 176.300 0.018 0.000 1.123 381 R CA 1.498 57.603 56.100 0.010 0.000 0.975 381 R CB -1.079 29.226 30.300 0.009 0.000 0.866 381 R HN 0.857 nan 8.270 nan 0.000 0.446 382 A N 0.549 123.379 122.820 0.017 0.000 1.865 382 A HA -0.264 4.056 4.320 -0.001 0.000 0.217 382 A C 2.118 179.724 177.584 0.036 0.000 1.191 382 A CA 1.900 53.953 52.037 0.026 0.000 0.623 382 A CB -0.511 18.500 19.000 0.018 0.000 0.826 382 A HN 0.299 nan 8.150 nan 0.000 0.444 383 M N -0.203 119.414 119.600 0.028 0.000 2.099 383 M HA -0.090 4.389 4.480 -0.001 0.000 0.262 383 M C 2.019 178.335 176.300 0.027 0.000 1.067 383 M CA 2.326 57.644 55.300 0.030 0.000 1.124 383 M CB -0.403 32.210 32.600 0.022 0.000 1.353 383 M HN 0.415 nan 8.290 nan 0.000 0.410 384 K N -0.498 119.913 120.400 0.019 0.000 2.074 384 K HA -0.260 4.059 4.320 -0.001 0.000 0.209 384 K C 2.012 178.625 176.600 0.021 0.000 1.048 384 K CA 2.076 58.372 56.287 0.015 0.000 0.926 384 K CB -0.201 32.305 32.500 0.010 0.000 0.713 384 K HN 0.571 nan 8.250 nan 0.000 0.444 385 Q N -0.010 119.808 119.800 0.030 0.000 2.030 385 Q HA -0.175 4.164 4.340 -0.001 0.000 0.204 385 Q C 2.225 178.252 176.000 0.045 0.000 0.986 385 Q CA 2.271 58.097 55.803 0.040 0.000 0.843 385 Q CB -0.185 28.586 28.738 0.056 0.000 0.904 385 Q HN 0.411 nan 8.270 nan 0.000 0.420 386 V N -2.712 117.238 119.914 0.060 0.000 2.407 386 V HA 0.074 4.193 4.120 -0.001 0.000 0.245 386 V C 1.619 177.725 176.094 0.020 0.000 1.041 386 V CA 1.587 63.921 62.300 0.057 0.000 1.040 386 V CB -0.556 31.327 31.823 0.100 0.000 0.671 386 V HN 0.237 nan 8.190 nan 0.000 0.455 387 A N 0.402 123.233 122.820 0.020 0.000 2.460 387 A HA 0.585 4.904 4.320 -0.001 0.000 0.258 387 A C 1.930 179.516 177.584 0.004 0.000 1.300 387 A CA 0.514 52.555 52.037 0.008 0.000 0.913 387 A CB -0.703 18.305 19.000 0.013 0.000 1.031 387 A HN 0.628 nan 8.150 nan 0.000 0.512 388 G N 0.552 109.355 108.800 0.004 0.000 2.469 388 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.219 388 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.219 388 G C 1.460 176.359 174.900 -0.002 0.000 1.150 388 G CA 2.000 47.101 45.100 0.002 0.000 0.763 388 G HN 0.778 nan 8.290 nan 0.000 0.561 389 T N -3.232 111.317 114.554 -0.007 0.000 3.040 389 T HA 0.289 4.638 4.350 -0.001 0.000 0.266 389 T C 2.070 176.765 174.700 -0.008 0.000 1.005 389 T CA 0.546 62.641 62.100 -0.008 0.000 0.906 389 T CB 0.092 68.952 68.868 -0.014 0.000 1.082 389 T HN 0.134 nan 8.240 nan 0.000 0.531 390 M N 1.315 120.908 119.600 -0.011 0.000 2.108 390 M HA -0.148 4.331 4.480 -0.001 0.000 0.257 390 M C 2.320 178.623 176.300 0.005 0.000 1.071 390 M CA 1.844 57.137 55.300 -0.011 0.000 1.093 390 M CB -0.222 32.370 32.600 -0.013 0.000 1.345 390 M HN 0.263 nan 8.290 nan 0.000 0.403 391 K N 0.291 120.698 120.400 0.012 0.000 1.991 391 K HA -0.177 4.142 4.320 -0.001 0.000 0.212 391 K C 1.699 178.317 176.600 0.029 0.000 1.049 391 K CA 1.724 58.025 56.287 0.023 0.000 0.932 391 K CB -0.323 32.190 32.500 0.022 0.000 0.717 391 K HN 0.413 nan 8.250 nan 0.000 0.441 392 L N 0.533 121.768 121.223 0.021 0.000 2.456 392 L HA -0.121 4.218 4.340 -0.001 0.000 0.224 392 L C 2.368 179.255 176.870 0.029 0.000 1.148 392 L CA 0.819 55.672 54.840 0.022 0.000 0.825 392 L CB -0.292 41.774 42.059 0.012 0.000 0.937 392 L HN 0.398 nan 8.230 nan 0.000 0.450 393 E N 0.756 120.972 120.200 0.026 0.000 2.051 393 E HA -0.153 4.196 4.350 -0.001 0.000 0.189 393 E C 2.348 178.995 176.600 0.079 0.000 0.979 393 E CA 0.652 57.070 56.400 0.030 0.000 0.803 393 E CB 0.077 29.776 29.700 -0.001 0.000 0.761 393 E HN 0.420 nan 8.360 nan 0.000 0.451 394 L N 0.476 121.750 121.223 0.085 0.000 2.141 394 L HA -0.126 4.213 4.340 -0.001 0.000 0.209 394 L C 2.535 179.513 176.870 0.180 0.000 1.094 394 L CA 0.908 55.850 54.840 0.171 0.000 0.763 394 L CB -0.348 41.783 42.059 0.121 0.000 0.908 394 L HN 0.227 nan 8.230 nan 0.000 0.437 395 A N -0.702 122.178 122.820 0.099 0.000 1.845 395 A HA -0.226 4.093 4.320 -0.001 0.000 0.215 395 A C 2.192 179.809 177.584 0.054 0.000 1.195 395 A CA 1.284 53.359 52.037 0.064 0.000 0.616 395 A CB -0.478 18.548 19.000 0.042 0.000 0.832 395 A HN 0.347 nan 8.150 nan 0.000 0.443 396 Q N -1.712 118.124 119.800 0.060 0.000 2.364 396 Q HA -0.175 4.164 4.340 -0.001 0.000 0.209 396 Q C 1.737 177.789 176.000 0.086 0.000 0.977 396 Q CA 1.555 57.387 55.803 0.048 0.000 0.885 396 Q CB -0.376 28.385 28.738 0.039 0.000 0.941 396 Q HN 0.921 nan 8.270 nan 0.000 0.464 397 Y N 0.782 121.083 120.300 0.002 0.000 2.269 397 Y HA -0.030 4.519 4.550 -0.001 0.000 0.294 397 Y C 2.019 177.930 175.900 0.019 0.000 1.120 397 Y CA 1.114 59.218 58.100 0.006 0.000 1.159 397 Y CB -0.118 38.343 38.460 0.002 0.000 1.024 397 Y HN -0.093 nan 8.280 nan 0.000 0.532 398 R N 0.420 120.715 120.500 -0.342 0.000 2.096 398 R HA -0.152 4.188 4.340 -0.001 0.000 0.235 398 R C 2.309 178.475 176.300 -0.224 0.000 1.127 398 R CA 1.426 57.281 56.100 -0.409 0.000 0.968 398 R CB -0.345 29.862 30.300 -0.155 0.000 0.861 398 R HN 0.339 nan 8.270 nan 0.000 0.440 399 E N 0.755 120.891 120.200 -0.106 0.000 2.001 399 E HA -0.159 4.190 4.350 -0.001 0.000 0.195 399 E C 2.037 178.626 176.600 -0.018 0.000 1.002 399 E CA 2.058 58.431 56.400 -0.044 0.000 0.819 399 E CB -0.193 29.487 29.700 -0.034 0.000 0.769 399 E HN 0.153 nan 8.360 nan 0.000 0.454 400 V N 0.668 120.578 119.914 -0.007 0.000 2.380 400 V HA -0.238 3.881 4.120 -0.001 0.000 0.251 400 V C 2.621 178.728 176.094 0.021 0.000 1.063 400 V CA 2.239 64.577 62.300 0.063 0.000 1.055 400 V CB -1.638 30.232 31.823 0.078 0.000 0.657 400 V HN 0.335 nan 8.190 nan 0.000 0.455 401 A N 0.487 123.240 122.820 -0.112 0.000 1.978 401 A HA 0.020 4.339 4.320 -0.001 0.000 0.220 401 A C 2.413 179.965 177.584 -0.054 0.000 1.170 401 A CA 2.379 54.332 52.037 -0.140 0.000 0.636 401 A CB -0.764 17.984 19.000 -0.421 0.000 0.810 401 A HN 0.825 nan 8.150 nan 0.000 0.448 402 A N -1.409 121.400 122.820 -0.019 0.000 1.861 402 A HA 0.112 4.431 4.320 -0.001 0.000 0.212 402 A C 1.856 179.525 177.584 0.142 0.000 1.199 402 A CA 1.148 53.228 52.037 0.072 0.000 0.613 402 A CB -0.748 18.298 19.000 0.077 0.000 0.846 402 A HN 0.616 nan 8.150 nan 0.000 0.446 403 F N 0.877 120.795 119.950 -0.053 0.000 2.481 403 F HA -0.012 4.514 4.527 -0.001 0.000 0.297 403 F C 1.614 177.079 175.800 -0.558 0.000 1.095 403 F CA 0.753 58.650 58.000 -0.171 0.000 1.465 403 F CB -0.021 38.896 39.000 -0.138 0.000 1.098 403 F HN 0.198 nan 8.300 nan 0.000 0.585 404 A N -0.573 121.971 122.820 -0.459 0.000 2.610 404 A HA 0.239 4.558 4.320 -0.001 0.000 0.291 404 A C 1.097 178.523 177.584 -0.264 0.000 1.116 404 A CA -0.374 51.285 52.037 -0.629 0.000 0.963 404 A CB -0.428 18.393 19.000 -0.299 0.000 1.220 404 A HN 0.384 nan 8.150 nan 0.000 0.530 405 Q N 0.453 120.287 119.800 0.057 0.000 2.425 405 Q HA 0.141 4.481 4.340 -0.001 0.000 0.213 405 Q C -1.058 175.245 176.000 0.505 0.000 0.950 405 Q CA 0.296 56.268 55.803 0.282 0.000 0.979 405 Q CB -0.751 28.155 28.738 0.279 0.000 0.997 405 Q HN 0.748 nan 8.270 nan 0.000 0.509 406 F N -4.533 115.363 119.950 -0.091 0.000 3.667 406 F HA 0.308 4.835 4.527 -0.001 0.000 0.396 406 F C 0.246 175.973 175.800 -0.121 0.000 1.173 406 F CA -2.107 55.832 58.000 -0.101 0.000 1.453 406 F CB -0.404 38.523 39.000 -0.122 0.000 2.117 406 F HN -0.104 nan 8.300 nan 0.000 0.789 407 G N 1.693 110.461 108.800 -0.053 0.000 2.615 407 G HA2 0.119 4.078 3.960 -0.001 0.000 0.273 407 G HA3 0.119 4.078 3.960 -0.001 0.000 0.273 407 G C 0.149 174.968 174.900 -0.135 0.000 0.657 407 G CA 0.062 45.097 45.100 -0.107 0.000 2.071 407 G HN 0.648 nan 8.290 nan 0.000 0.562 408 S N 1.980 117.516 115.700 -0.273 0.000 2.858 408 S HA 0.141 4.610 4.470 -0.001 0.000 0.328 408 S C 0.616 175.137 174.600 -0.132 0.000 1.149 408 S CA 0.426 58.485 58.200 -0.236 0.000 1.421 408 S CB -0.368 62.535 63.200 -0.495 0.000 1.461 408 S HN 0.907 nan 8.310 nan 0.000 0.587 409 D N 0.626 120.985 120.400 -0.067 0.000 2.956 409 D HA -0.240 4.399 4.640 -0.001 0.000 0.206 409 D C -0.621 175.662 176.300 -0.029 0.000 1.269 409 D CA 0.419 54.399 54.000 -0.034 0.000 0.694 409 D CB -1.438 39.352 40.800 -0.016 0.000 0.910 409 D HN 0.510 nan 8.370 nan 0.000 0.389 410 L N 1.239 122.440 121.223 -0.036 0.000 2.319 410 L HA 0.247 4.587 4.340 -0.001 0.000 0.280 410 L C 1.727 178.594 176.870 -0.004 0.000 1.099 410 L CA -0.786 54.044 54.840 -0.018 0.000 0.828 410 L CB 0.480 42.521 42.059 -0.030 0.000 1.150 410 L HN 0.329 nan 8.230 nan 0.000 0.442 411 D N 3.137 123.541 120.400 0.006 0.000 2.058 411 D HA -0.019 4.621 4.640 -0.001 0.000 0.258 411 D C 0.836 177.137 176.300 0.002 0.000 1.192 411 D CA 0.242 54.245 54.000 0.005 0.000 0.967 411 D CB 0.806 41.611 40.800 0.008 0.000 1.217 411 D HN 0.505 nan 8.370 nan 0.000 0.515 412 A N -0.573 122.247 122.820 -0.000 0.000 1.938 412 A HA 0.366 4.685 4.320 -0.001 0.000 0.207 412 A C 2.255 179.837 177.584 -0.004 0.000 1.292 412 A CA 1.347 53.382 52.037 -0.004 0.000 0.700 412 A CB -1.021 17.974 19.000 -0.008 0.000 0.947 412 A HN 0.626 nan 8.150 nan 0.000 0.476 413 A N 0.132 122.950 122.820 -0.004 0.000 2.042 413 A HA -0.200 4.119 4.320 -0.001 0.000 0.222 413 A C 2.323 179.909 177.584 0.003 0.000 1.167 413 A CA 2.791 54.825 52.037 -0.005 0.000 0.649 413 A CB -1.185 17.812 19.000 -0.005 0.000 0.809 413 A HN 0.854 nan 8.150 nan 0.000 0.457 414 T N -4.064 110.497 114.554 0.012 0.000 3.051 414 T HA 0.046 4.396 4.350 -0.001 0.000 0.255 414 T C 1.816 176.534 174.700 0.030 0.000 1.085 414 T CA 1.062 63.179 62.100 0.029 0.000 1.109 414 T CB -0.080 68.813 68.868 0.041 0.000 0.921 414 T HN 0.499 nan 8.240 nan 0.000 0.488 415 Q N -0.174 119.634 119.800 0.013 0.000 2.187 415 Q HA -0.007 4.332 4.340 -0.001 0.000 0.199 415 Q C 2.567 178.566 176.000 -0.002 0.000 0.957 415 Q CA 0.814 56.622 55.803 0.008 0.000 0.857 415 Q CB -0.009 28.728 28.738 -0.001 0.000 0.929 415 Q HN 0.376 nan 8.270 nan 0.000 0.453 416 Q N 0.102 119.895 119.800 -0.011 0.000 2.123 416 Q HA -0.124 4.215 4.340 -0.001 0.000 0.199 416 Q C 1.984 177.962 176.000 -0.037 0.000 0.966 416 Q CA 0.771 56.555 55.803 -0.031 0.000 0.845 416 Q CB -0.102 28.615 28.738 -0.035 0.000 0.907 416 Q HN 0.341 nan 8.270 nan 0.000 0.439 417 L N 0.445 121.663 121.223 -0.008 0.000 2.083 417 L HA -0.111 4.228 4.340 -0.001 0.000 0.209 417 L C 2.075 178.960 176.870 0.026 0.000 1.083 417 L CA 1.513 56.359 54.840 0.010 0.000 0.752 417 L CB -0.663 41.426 42.059 0.050 0.000 0.899 417 L HN 0.180 nan 8.230 nan 0.000 0.433 418 L N -1.632 119.633 121.223 0.071 0.000 2.240 418 L HA -0.074 4.265 4.340 -0.001 0.000 0.211 418 L C 2.349 179.205 176.870 -0.022 0.000 1.106 418 L CA 0.830 55.750 54.840 0.134 0.000 0.793 418 L CB -0.509 41.645 42.059 0.159 0.000 0.927 418 L HN 0.136 nan 8.230 nan 0.000 0.446 419 S N -0.755 114.914 115.700 -0.052 0.000 2.387 419 S HA -0.056 4.413 4.470 -0.001 0.000 0.226 419 S C 2.118 176.630 174.600 -0.146 0.000 1.026 419 S CA 0.729 58.880 58.200 -0.081 0.000 0.972 419 S CB -0.066 63.098 63.200 -0.061 0.000 0.814 419 S HN 0.269 nan 8.310 nan 0.000 0.477 420 R N 1.132 121.526 120.500 -0.177 0.000 2.057 420 R HA 0.064 4.404 4.340 -0.001 0.000 0.229 420 R C 2.604 178.692 176.300 -0.353 0.000 1.136 420 R CA 1.360 57.331 56.100 -0.216 0.000 0.952 420 R CB -1.491 28.698 30.300 -0.185 0.000 0.848 420 R HN 0.464 nan 8.270 nan 0.000 0.430 421 G N 0.748 109.190 108.800 -0.596 0.000 2.599 421 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.219 421 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.219 421 G C 1.550 175.853 174.900 -0.996 0.000 1.193 421 G CA 1.700 45.981 45.100 -1.365 0.000 0.778 421 G HN 0.233 nan 8.290 nan 0.000 0.589 422 V N 1.251 120.813 119.914 -0.586 0.000 2.343 422 V HA -0.185 3.934 4.120 -0.001 0.000 0.247 422 V C 2.994 179.007 176.094 -0.135 0.000 1.051 422 V CA 2.055 64.246 62.300 -0.182 0.000 1.036 422 V CB -0.536 31.264 31.823 -0.038 0.000 0.654 422 V HN 0.281 nan 8.190 nan 0.000 0.451 423 R N 0.097 120.505 120.500 -0.153 0.000 2.081 423 R HA -0.038 4.301 4.340 -0.001 0.000 0.235 423 R C 2.282 178.522 176.300 -0.100 0.000 1.131 423 R CA 1.287 57.321 56.100 -0.109 0.000 0.960 423 R CB -0.968 29.259 30.300 -0.122 0.000 0.856 423 R HN 0.431 nan 8.270 nan 0.000 0.436 424 L N 0.487 121.625 121.223 -0.142 0.000 2.131 424 L HA -0.132 4.208 4.340 -0.001 0.000 0.210 424 L C 2.301 179.133 176.870 -0.064 0.000 1.092 424 L CA 1.297 56.074 54.840 -0.105 0.000 0.759 424 L CB -0.544 41.437 42.059 -0.131 0.000 0.903 424 L HN 0.193 nan 8.230 nan 0.000 0.435 425 T N -1.013 113.501 114.554 -0.068 0.000 2.867 425 T HA -0.136 4.213 4.350 -0.001 0.000 0.268 425 T C 1.749 176.452 174.700 0.005 0.000 1.057 425 T CA 0.989 63.089 62.100 -0.001 0.000 1.136 425 T CB -0.037 68.864 68.868 0.055 0.000 0.874 425 T HN 0.286 nan 8.240 nan 0.000 0.466 426 E N 0.952 121.149 120.200 -0.004 0.000 2.107 426 E HA 0.059 4.408 4.350 -0.001 0.000 0.191 426 E C 2.236 178.844 176.600 0.014 0.000 0.982 426 E CA 0.578 56.984 56.400 0.009 0.000 0.809 426 E CB -0.286 29.422 29.700 0.013 0.000 0.756 426 E HN 0.459 nan 8.360 nan 0.000 0.459 427 L N 0.416 121.644 121.223 0.009 0.000 2.156 427 L HA -0.078 4.261 4.340 -0.001 0.000 0.208 427 L C 2.289 179.167 176.870 0.015 0.000 1.095 427 L CA 0.543 55.396 54.840 0.021 0.000 0.770 427 L CB -0.202 41.867 42.059 0.018 0.000 0.914 427 L HN 0.062 nan 8.230 nan 0.000 0.439 428 L N -0.688 120.539 121.223 0.006 0.000 2.552 428 L HA -0.044 4.295 4.340 -0.001 0.000 0.227 428 L C 1.046 177.914 176.870 -0.003 0.000 1.146 428 L CA 0.305 55.148 54.840 0.005 0.000 0.858 428 L CB -0.444 41.619 42.059 0.007 0.000 0.969 428 L HN 0.156 nan 8.230 nan 0.000 0.451 429 K N 0.768 121.165 120.400 -0.005 0.000 2.276 429 K HA 0.275 4.594 4.320 -0.001 0.000 0.259 429 K C -0.138 176.447 176.600 -0.025 0.000 1.001 429 K CA 0.200 56.474 56.287 -0.022 0.000 0.927 429 K CB 0.742 33.230 32.500 -0.020 0.000 0.969 429 K HN 0.012 nan 8.250 nan 0.000 0.490 430 Q N -0.812 118.961 119.800 -0.044 0.000 2.594 430 Q HA 0.274 4.613 4.340 -0.001 0.000 0.278 430 Q C -0.945 175.017 176.000 -0.063 0.000 0.961 430 Q CA -0.549 55.229 55.803 -0.041 0.000 0.844 430 Q CB 1.844 30.561 28.738 -0.037 0.000 1.475 430 Q HN 0.823 nan 8.270 nan 0.000 0.389 431 G N 0.712 109.481 108.800 -0.052 0.000 2.510 431 G HA2 0.399 4.358 3.960 -0.001 0.000 0.280 431 G HA3 0.399 4.358 3.960 -0.001 0.000 0.280 431 G C -0.748 174.092 174.900 -0.101 0.000 1.386 431 G CA -0.158 44.905 45.100 -0.062 0.000 1.047 431 G HN 0.470 nan 8.290 nan 0.000 0.527 432 Q N -1.603 118.120 119.800 -0.129 0.000 2.226 432 Q HA 0.376 4.715 4.340 -0.001 0.000 0.256 432 Q C -0.749 175.112 176.000 -0.232 0.000 0.962 432 Q CA -0.669 54.919 55.803 -0.359 0.000 0.887 432 Q CB 1.533 29.894 28.738 -0.629 0.000 1.282 432 Q HN 0.540 nan 8.270 nan 0.000 0.449 433 Y N -1.427 118.867 120.300 -0.010 0.000 4.881 433 Y HA -0.260 4.289 4.550 -0.001 0.000 0.241 433 Y C 0.181 176.072 175.900 -0.014 0.000 0.985 433 Y CA 0.789 58.881 58.100 -0.013 0.000 1.976 433 Y CB -1.963 36.488 38.460 -0.015 0.000 1.528 433 Y HN 0.346 nan 8.280 nan 0.000 0.581 434 S N 0.404 116.143 115.700 0.065 0.000 2.143 434 S HA 0.363 4.832 4.470 -0.001 0.000 0.188 434 S C -2.407 172.197 174.600 0.007 0.000 1.431 434 S CA -0.976 57.248 58.200 0.039 0.000 1.253 434 S CB 0.563 63.781 63.200 0.030 0.000 1.137 434 S HN -0.016 nan 8.310 nan 0.000 0.457 435 P HA 0.056 nan 4.420 nan 0.000 0.261 435 P C -0.216 177.077 177.300 -0.012 0.000 1.183 435 P CA 0.491 63.590 63.100 -0.002 0.000 0.761 435 P CB 0.222 31.926 31.700 0.006 0.000 0.785 436 M N 2.093 121.687 119.600 -0.009 0.000 2.291 436 M HA 0.485 4.964 4.480 -0.001 0.000 0.324 436 M C 0.674 176.965 176.300 -0.015 0.000 1.148 436 M CA -0.721 54.569 55.300 -0.016 0.000 1.104 436 M CB 1.086 33.681 32.600 -0.009 0.000 1.483 436 M HN 0.269 nan 8.290 nan 0.000 0.467 437 A N 1.258 124.060 122.820 -0.030 0.000 2.340 437 A HA 0.282 4.601 4.320 -0.001 0.000 0.268 437 A C 0.910 178.496 177.584 0.003 0.000 1.100 437 A CA -0.541 51.481 52.037 -0.025 0.000 0.803 437 A CB 0.157 19.125 19.000 -0.054 0.000 1.043 437 A HN 0.933 nan 8.150 nan 0.000 0.488 438 I N 1.135 121.725 120.570 0.033 0.000 2.145 438 I HA -0.297 3.872 4.170 -0.001 0.000 0.244 438 I C 2.597 178.723 176.117 0.016 0.000 1.075 438 I CA 2.618 63.938 61.300 0.034 0.000 1.332 438 I CB -0.218 37.812 38.000 0.051 0.000 1.033 438 I HN 0.865 nan 8.210 nan 0.000 0.410 439 E N 0.152 120.353 120.200 0.002 0.000 2.204 439 E HA -0.281 4.068 4.350 -0.001 0.000 0.195 439 E C 1.889 178.477 176.600 -0.020 0.000 0.990 439 E CA 1.612 58.004 56.400 -0.014 0.000 0.821 439 E CB -0.670 29.012 29.700 -0.031 0.000 0.750 439 E HN 0.653 nan 8.360 nan 0.000 0.477 440 E N 0.891 121.076 120.200 -0.025 0.000 2.072 440 E HA -0.148 4.201 4.350 -0.001 0.000 0.191 440 E C 2.349 178.956 176.600 0.010 0.000 0.985 440 E CA 1.490 57.873 56.400 -0.029 0.000 0.801 440 E CB 0.030 29.705 29.700 -0.042 0.000 0.750 440 E HN 0.399 nan 8.360 nan 0.000 0.452 441 Q N 0.067 119.879 119.800 0.019 0.000 1.993 441 Q HA -0.157 4.182 4.340 -0.001 0.000 0.202 441 Q C 2.412 178.449 176.000 0.061 0.000 0.984 441 Q CA 1.674 57.499 55.803 0.037 0.000 0.837 441 Q CB -0.268 28.488 28.738 0.031 0.000 0.902 441 Q HN 0.186 nan 8.270 nan 0.000 0.423 442 V N 1.665 121.611 119.914 0.054 0.000 2.282 442 V HA -0.346 3.773 4.120 -0.001 0.000 0.249 442 V C 2.423 178.591 176.094 0.122 0.000 1.057 442 V CA 1.961 64.309 62.300 0.079 0.000 1.032 442 V CB -1.288 30.564 31.823 0.049 0.000 0.645 442 V HN 0.437 nan 8.190 nan 0.000 0.447 443 A N 0.505 123.380 122.820 0.092 0.000 1.859 443 A HA -0.211 4.108 4.320 -0.001 0.000 0.217 443 A C 2.492 180.270 177.584 0.324 0.000 1.198 443 A CA 2.794 54.932 52.037 0.167 0.000 0.629 443 A CB -0.980 18.070 19.000 0.082 0.000 0.830 443 A HN 0.736 nan 8.150 nan 0.000 0.446 444 V N -0.835 119.230 119.914 0.251 0.000 2.358 444 V HA -0.168 3.951 4.120 -0.001 0.000 0.246 444 V C 2.127 178.306 176.094 0.141 0.000 1.047 444 V CA 1.934 64.355 62.300 0.201 0.000 1.035 444 V CB -0.781 31.128 31.823 0.143 0.000 0.658 444 V HN 0.449 nan 8.190 nan 0.000 0.452 445 I N -0.129 120.515 120.570 0.125 0.000 2.226 445 I HA -0.185 3.984 4.170 -0.001 0.000 0.245 445 I C 2.568 178.736 176.117 0.085 0.000 1.100 445 I CA 2.370 63.718 61.300 0.080 0.000 1.374 445 I CB -1.776 36.262 38.000 0.064 0.000 1.057 445 I HN 0.511 nan 8.210 nan 0.000 0.413 446 Y N 2.490 122.811 120.300 0.036 0.000 2.030 446 Y HA -0.374 4.175 4.550 -0.001 0.000 0.272 446 Y C 2.730 178.657 175.900 0.045 0.000 1.185 446 Y CA 2.475 60.603 58.100 0.047 0.000 1.120 446 Y CB -0.529 37.987 38.460 0.092 0.000 0.955 446 Y HN 0.144 nan 8.280 nan 0.000 0.495 447 A N 0.046 122.988 122.820 0.204 0.000 1.927 447 A HA -0.225 4.094 4.320 -0.001 0.000 0.220 447 A C 2.467 180.007 177.584 -0.074 0.000 1.185 447 A CA 2.275 54.367 52.037 0.092 0.000 0.639 447 A CB -1.782 17.208 19.000 -0.017 0.000 0.820 447 A HN 0.678 nan 8.150 nan 0.000 0.451 448 G N -1.130 107.619 108.800 -0.084 0.000 2.404 448 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.213 448 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.213 448 G C 1.464 176.243 174.900 -0.201 0.000 1.189 448 G CA 0.962 45.983 45.100 -0.132 0.000 0.796 448 G HN 0.321 nan 8.290 nan 0.000 0.532 449 V N 1.021 120.819 119.914 -0.193 0.000 2.568 449 V HA -0.100 4.019 4.120 -0.001 0.000 0.253 449 V C 2.702 178.604 176.094 -0.320 0.000 1.072 449 V CA 1.410 63.583 62.300 -0.211 0.000 1.084 449 V CB -0.376 31.355 31.823 -0.152 0.000 0.676 449 V HN 0.191 nan 8.190 nan 0.000 0.469 450 R N -0.353 119.848 120.500 -0.498 0.000 2.310 450 R HA 0.217 4.556 4.340 -0.001 0.000 0.202 450 R C 1.822 177.636 176.300 -0.810 0.000 0.933 450 R CA 0.710 56.367 56.100 -0.738 0.000 1.054 450 R CB -0.318 29.309 30.300 -1.121 0.000 0.985 450 R HN 0.572 nan 8.270 nan 0.000 0.489 451 G N 0.332 108.803 108.800 -0.548 0.000 2.199 451 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.254 451 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.254 451 G C 0.554 175.234 174.900 -0.368 0.000 0.982 451 G CA 0.379 45.235 45.100 -0.407 0.000 0.632 451 G HN 0.330 nan 8.290 nan 0.000 0.529 452 Y N 0.377 120.576 120.300 -0.168 0.000 2.465 452 Y HA 0.177 4.726 4.550 -0.001 0.000 0.289 452 Y C 2.633 178.415 175.900 -0.196 0.000 1.150 452 Y CA 1.329 59.338 58.100 -0.152 0.000 1.293 452 Y CB -0.286 38.097 38.460 -0.127 0.000 0.977 452 Y HN 0.408 nan 8.280 nan 0.000 0.556 453 L N -0.704 120.438 121.223 -0.134 0.000 2.640 453 L HA 0.091 4.430 4.340 -0.001 0.000 0.230 453 L C 0.864 177.642 176.870 -0.153 0.000 1.123 453 L CA 0.029 54.747 54.840 -0.204 0.000 0.900 453 L CB -0.076 41.830 42.059 -0.255 0.000 1.146 453 L HN -0.032 nan 8.230 nan 0.000 0.484 454 D N 1.128 121.450 120.400 -0.131 0.000 2.354 454 D HA -0.139 4.501 4.640 -0.001 0.000 0.216 454 D C 1.647 177.898 176.300 -0.081 0.000 0.970 454 D CA 1.200 55.135 54.000 -0.109 0.000 0.905 454 D CB 0.152 40.887 40.800 -0.109 0.000 0.903 454 D HN 0.270 nan 8.370 nan 0.000 0.508 455 K N -0.560 119.795 120.400 -0.076 0.000 2.374 455 K HA 0.132 4.451 4.320 -0.001 0.000 0.202 455 K C 0.296 176.864 176.600 -0.054 0.000 1.040 455 K CA -0.454 55.801 56.287 -0.053 0.000 1.085 455 K CB 0.919 33.397 32.500 -0.037 0.000 0.873 455 K HN 0.009 nan 8.250 nan 0.000 0.539 456 L N 1.495 122.668 121.223 -0.082 0.000 2.456 456 L HA 0.171 4.510 4.340 -0.001 0.000 0.257 456 L C -0.094 176.752 176.870 -0.040 0.000 1.162 456 L CA 0.061 54.859 54.840 -0.070 0.000 0.808 456 L CB 0.875 42.846 42.059 -0.147 0.000 1.136 456 L HN -0.036 nan 8.230 nan 0.000 0.466 457 E N 3.570 123.767 120.200 -0.006 0.000 2.229 457 E HA 0.186 4.535 4.350 -0.001 0.000 0.283 457 E C -1.862 174.746 176.600 0.013 0.000 1.030 457 E CA -1.785 54.617 56.400 0.004 0.000 0.836 457 E CB 1.411 31.120 29.700 0.016 0.000 1.068 457 E HN 0.495 nan 8.360 nan 0.000 0.401 458 P HA -0.306 nan 4.420 nan 0.000 0.219 458 P C 1.215 178.535 177.300 0.034 0.000 1.161 458 P CA 2.060 65.167 63.100 0.011 0.000 0.909 458 P CB 0.070 31.777 31.700 0.011 0.000 0.793 459 S N -1.280 114.443 115.700 0.039 0.000 2.420 459 S HA -0.177 4.292 4.470 -0.001 0.000 0.237 459 S C 1.728 176.378 174.600 0.082 0.000 1.023 459 S CA 1.139 59.370 58.200 0.052 0.000 0.991 459 S CB -0.825 62.400 63.200 0.043 0.000 0.792 459 S HN 0.123 nan 8.310 nan 0.000 0.488 460 K N 1.604 122.063 120.400 0.099 0.000 2.076 460 K HA 0.223 4.542 4.320 -0.001 0.000 0.204 460 K C 2.071 178.803 176.600 0.219 0.000 1.051 460 K CA 0.752 57.147 56.287 0.180 0.000 0.949 460 K CB -0.805 31.813 32.500 0.197 0.000 0.726 460 K HN 0.449 nan 8.250 nan 0.000 0.443 461 I N 1.195 121.851 120.570 0.142 0.000 2.161 461 I HA -0.404 3.765 4.170 -0.001 0.000 0.246 461 I C 2.141 178.369 176.117 0.184 0.000 1.048 461 I CA 1.802 63.188 61.300 0.144 0.000 1.314 461 I CB -1.001 37.036 38.000 0.062 0.000 1.014 461 I HN 0.169 nan 8.210 nan 0.000 0.418 462 T N 0.185 114.820 114.554 0.134 0.000 2.708 462 T HA -0.209 4.141 4.350 -0.001 0.000 0.266 462 T C 1.988 176.768 174.700 0.132 0.000 1.037 462 T CA 1.482 63.647 62.100 0.108 0.000 1.146 462 T CB -0.158 68.755 68.868 0.075 0.000 0.865 462 T HN 0.295 nan 8.240 nan 0.000 0.435 463 K N -0.139 120.372 120.400 0.185 0.000 2.057 463 K HA -0.096 4.223 4.320 -0.001 0.000 0.207 463 K C 2.087 178.834 176.600 0.244 0.000 1.049 463 K CA 1.252 57.680 56.287 0.236 0.000 0.931 463 K CB -0.299 32.389 32.500 0.313 0.000 0.714 463 K HN 0.327 nan 8.250 nan 0.000 0.440 464 F N 2.233 122.216 119.950 0.054 0.000 2.069 464 F HA -0.226 4.300 4.527 -0.001 0.000 0.298 464 F C 2.244 177.966 175.800 -0.130 0.000 1.113 464 F CA 2.001 59.774 58.000 -0.379 0.000 1.214 464 F CB -0.443 38.309 39.000 -0.413 0.000 0.978 464 F HN 0.129 nan 8.300 nan 0.000 0.474 465 E N 0.122 120.256 120.200 -0.111 0.000 2.171 465 E HA -0.266 4.083 4.350 -0.001 0.000 0.197 465 E C 1.836 178.355 176.600 -0.136 0.000 0.997 465 E CA 1.520 57.825 56.400 -0.158 0.000 0.810 465 E CB -0.333 29.381 29.700 0.023 0.000 0.738 465 E HN 0.555 nan 8.360 nan 0.000 0.467 466 N N 0.098 118.763 118.700 -0.059 0.000 2.216 466 N HA -0.096 4.643 4.740 -0.001 0.000 0.183 466 N C 1.755 177.246 175.510 -0.032 0.000 1.017 466 N CA 0.992 54.028 53.050 -0.024 0.000 0.861 466 N CB -0.100 38.404 38.487 0.029 0.000 0.986 466 N HN 0.188 nan 8.380 nan 0.000 0.428 467 A N 1.339 124.152 122.820 -0.011 0.000 1.841 467 A HA -0.128 4.191 4.320 -0.001 0.000 0.214 467 A C 2.063 179.626 177.584 -0.035 0.000 1.195 467 A CA 0.903 53.017 52.037 0.128 0.000 0.611 467 A CB -1.056 18.139 19.000 0.326 0.000 0.835 467 A HN 0.245 nan 8.150 nan 0.000 0.443 468 F N 0.252 119.814 119.950 -0.646 0.000 2.043 468 F HA -0.202 4.324 4.527 -0.001 0.000 0.297 468 F C 1.902 177.324 175.800 -0.630 0.000 1.121 468 F CA 1.925 59.238 58.000 -1.146 0.000 1.199 468 F CB -0.552 37.635 39.000 -1.355 0.000 0.968 468 F HN 0.162 nan 8.300 nan 0.000 0.478 469 L N 0.133 121.096 121.223 -0.434 0.000 2.129 469 L HA -0.221 4.119 4.340 -0.001 0.000 0.212 469 L C 2.549 179.224 176.870 -0.326 0.000 1.087 469 L CA 1.859 56.468 54.840 -0.385 0.000 0.757 469 L CB -1.417 40.542 42.059 -0.167 0.000 0.896 469 L HN 0.197 nan 8.230 nan 0.000 0.434 470 S N -1.769 113.799 115.700 -0.219 0.000 2.348 470 S HA -0.251 4.219 4.470 -0.001 0.000 0.221 470 S C 1.872 176.404 174.600 -0.114 0.000 1.033 470 S CA 1.317 59.451 58.200 -0.110 0.000 1.010 470 S CB -0.426 62.770 63.200 -0.007 0.000 0.891 470 S HN 0.660 nan 8.310 nan 0.000 0.442 471 H N 2.153 121.053 119.070 -0.284 0.000 2.254 471 H HA -0.119 4.437 4.556 -0.001 0.000 0.294 471 H C 2.202 177.368 175.328 -0.270 0.000 1.071 471 H CA 2.488 58.385 56.048 -0.251 0.000 1.228 471 H CB -0.940 28.571 29.762 -0.419 0.000 1.358 471 H HN 0.195 nan 8.280 nan 0.000 0.495 472 V N -0.590 118.904 119.914 -0.701 0.000 2.380 472 V HA -0.223 3.896 4.120 -0.001 0.000 0.251 472 V C 2.566 178.470 176.094 -0.317 0.000 1.063 472 V CA 2.225 64.159 62.300 -0.610 0.000 1.055 472 V CB -1.010 30.344 31.823 -0.782 0.000 0.657 472 V HN 0.486 nan 8.190 nan 0.000 0.455 473 I N 1.388 121.795 120.570 -0.272 0.000 2.226 473 I HA -0.205 3.965 4.170 -0.001 0.000 0.245 473 I C 2.932 178.973 176.117 -0.127 0.000 1.100 473 I CA 2.072 63.269 61.300 -0.172 0.000 1.374 473 I CB -0.430 37.484 38.000 -0.144 0.000 1.057 473 I HN 0.591 nan 8.210 nan 0.000 0.413 474 S N 0.060 115.693 115.700 -0.112 0.000 2.317 474 S HA -0.155 4.314 4.470 -0.001 0.000 0.212 474 S C 1.934 176.480 174.600 -0.090 0.000 1.030 474 S CA 0.878 59.034 58.200 -0.073 0.000 0.970 474 S CB -0.304 62.880 63.200 -0.026 0.000 0.928 474 S HN 0.356 nan 8.310 nan 0.000 0.451 475 Q N 0.248 119.988 119.800 -0.101 0.000 1.858 475 Q HA -0.065 4.275 4.340 -0.001 0.000 0.224 475 Q C 1.403 177.229 176.000 -0.289 0.000 0.980 475 Q CA 1.534 57.229 55.803 -0.179 0.000 0.868 475 Q CB -0.619 28.022 28.738 -0.161 0.000 0.920 475 Q HN 0.755 nan 8.270 nan 0.000 0.427 476 H N 1.695 120.587 119.070 -0.297 0.000 2.996 476 H HA -0.040 4.516 4.556 -0.001 0.000 0.285 476 H C 1.088 176.299 175.328 -0.195 0.000 1.092 476 H CA 0.338 56.239 56.048 -0.245 0.000 1.221 476 H CB -0.717 28.854 29.762 -0.319 0.000 1.277 476 H HN 0.345 nan 8.280 nan 0.000 0.668 477 Q N -0.475 119.265 119.800 -0.100 0.000 2.561 477 Q HA -0.021 4.318 4.340 -0.001 0.000 0.217 477 Q C 1.912 177.868 176.000 -0.073 0.000 0.980 477 Q CA 0.762 56.513 55.803 -0.087 0.000 0.927 477 Q CB 0.133 28.821 28.738 -0.084 0.000 0.980 477 Q HN 0.574 nan 8.270 nan 0.000 0.525 478 A N 1.197 123.973 122.820 -0.074 0.000 1.970 478 A HA 0.005 4.325 4.320 -0.001 0.000 0.216 478 A C 1.928 179.484 177.584 -0.046 0.000 1.170 478 A CA 0.401 52.402 52.037 -0.060 0.000 0.645 478 A CB -0.255 18.705 19.000 -0.067 0.000 0.816 478 A HN 0.418 nan 8.150 nan 0.000 0.447 479 L N -0.569 120.631 121.223 -0.039 0.000 2.209 479 L HA 0.036 4.376 4.340 -0.001 0.000 0.207 479 L C 2.227 179.058 176.870 -0.064 0.000 1.094 479 L CA 0.615 55.428 54.840 -0.045 0.000 0.790 479 L CB -0.134 41.900 42.059 -0.042 0.000 0.932 479 L HN 0.385 nan 8.230 nan 0.000 0.447 480 L N -0.555 120.625 121.223 -0.072 0.000 2.044 480 L HA -0.138 4.202 4.340 -0.001 0.000 0.205 480 L C 2.971 179.808 176.870 -0.056 0.000 1.075 480 L CA 1.368 56.162 54.840 -0.076 0.000 0.747 480 L CB -0.930 41.072 42.059 -0.094 0.000 0.903 480 L HN 0.321 nan 8.230 nan 0.000 0.435 481 S N -0.183 115.485 115.700 -0.052 0.000 2.442 481 S HA -0.204 4.265 4.470 -0.001 0.000 0.236 481 S C 2.183 176.764 174.600 -0.032 0.000 1.007 481 S CA 1.389 59.565 58.200 -0.040 0.000 0.965 481 S CB -0.202 nan 63.200 nan 0.000 0.773 481 S HN 0.237 nan 8.310 nan 0.000 0.504 482 K N 0.108 120.487 120.400 -0.034 0.000 2.067 482 K HA 0.192 4.511 4.320 -0.001 0.000 0.203 482 K C 1.858 178.443 176.600 -0.025 0.000 1.048 482 K CA 0.646 56.917 56.287 -0.028 0.000 0.954 482 K CB -0.193 32.289 32.500 -0.029 0.000 0.737 482 K HN 0.473 nan 8.250 nan 0.000 0.444 483 I N 0.880 121.430 120.570 -0.033 0.000 2.163 483 I HA -0.315 3.855 4.170 -0.001 0.000 0.243 483 I C 2.719 178.825 176.117 -0.018 0.000 1.085 483 I CA 1.173 62.455 61.300 -0.030 0.000 1.347 483 I CB -0.209 37.764 38.000 -0.045 0.000 1.044 483 I HN 0.203 nan 8.210 nan 0.000 0.408 484 R N 0.202 120.690 120.500 -0.019 0.000 2.070 484 R HA -0.167 4.172 4.340 -0.001 0.000 0.233 484 R C 2.281 178.580 176.300 -0.002 0.000 1.137 484 R CA 2.223 58.319 56.100 -0.008 0.000 0.945 484 R CB -0.346 29.947 30.300 -0.012 0.000 0.845 484 R HN 0.230 nan 8.270 nan 0.000 0.430 485 T N 0.943 115.492 114.554 -0.007 0.000 2.612 485 T HA -0.106 4.243 4.350 -0.001 0.000 0.259 485 T C 1.170 175.868 174.700 -0.004 0.000 1.065 485 T CA 1.646 63.743 62.100 -0.005 0.000 1.167 485 T CB -0.494 68.369 68.868 -0.009 0.000 0.863 485 T HN 0.318 nan 8.240 nan 0.000 0.407 486 D N 0.379 120.775 120.400 -0.007 0.000 2.203 486 D HA -0.043 4.596 4.640 -0.001 0.000 0.199 486 D C 1.699 177.998 176.300 -0.002 0.000 0.997 486 D CA 1.544 55.541 54.000 -0.005 0.000 0.863 486 D CB -0.659 40.138 40.800 -0.006 0.000 0.928 486 D HN 0.601 nan 8.370 nan 0.000 0.458 487 G N -0.354 108.445 108.800 -0.002 0.000 2.184 487 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.264 487 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.264 487 G C 0.539 175.440 174.900 0.002 0.000 0.975 487 G CA 0.771 45.872 45.100 0.001 0.000 0.642 487 G HN 0.509 nan 8.290 nan 0.000 0.536 488 K N -0.482 119.919 120.400 0.001 0.000 2.349 488 K HA 0.787 5.107 4.320 -0.001 0.000 0.243 488 K C -0.765 175.836 176.600 0.002 0.000 1.058 488 K CA -1.174 55.116 56.287 0.006 0.000 0.871 488 K CB 1.172 33.676 32.500 0.006 0.000 1.337 488 K HN 0.081 nan 8.250 nan 0.000 0.469 489 I N 2.770 123.346 120.570 0.010 0.000 2.428 489 I HA 0.099 4.268 4.170 -0.001 0.000 0.279 489 I C 0.329 176.454 176.117 0.013 0.000 1.040 489 I CA -0.508 60.795 61.300 0.004 0.000 1.171 489 I CB 1.475 39.486 38.000 0.017 0.000 1.312 489 I HN 0.594 nan 8.210 nan 0.000 0.470 490 S N 3.549 119.251 115.700 0.003 0.000 2.617 490 S HA 0.130 4.600 4.470 -0.001 0.000 0.255 490 S C 0.956 175.565 174.600 0.016 0.000 1.318 490 S CA -0.430 57.774 58.200 0.008 0.000 0.978 490 S CB 0.832 64.033 63.200 0.001 0.000 0.961 490 S HN 0.571 nan 8.310 nan 0.000 0.582 491 E N 0.332 120.543 120.200 0.019 0.000 2.152 491 E HA -0.044 4.305 4.350 -0.001 0.000 0.192 491 E C 1.871 178.486 176.600 0.024 0.000 0.983 491 E CA 1.130 57.547 56.400 0.028 0.000 0.818 491 E CB -0.179 29.538 29.700 0.027 0.000 0.758 491 E HN 0.833 nan 8.360 nan 0.000 0.467 492 E N 0.161 120.369 120.200 0.013 0.000 2.112 492 E HA -0.058 4.292 4.350 -0.001 0.000 0.190 492 E C 1.729 178.328 176.600 -0.002 0.000 0.979 492 E CA 0.746 57.151 56.400 0.009 0.000 0.814 492 E CB 0.108 29.811 29.700 0.005 0.000 0.762 492 E HN 0.069 nan 8.360 nan 0.000 0.460 493 S N 0.755 116.447 115.700 -0.014 0.000 2.368 493 S HA -0.197 4.272 4.470 -0.001 0.000 0.225 493 S C 1.547 176.106 174.600 -0.069 0.000 1.030 493 S CA 1.561 59.736 58.200 -0.043 0.000 0.999 493 S CB -0.337 62.834 63.200 -0.049 0.000 0.844 493 S HN 0.396 nan 8.310 nan 0.000 0.459 494 D N 0.883 121.264 120.400 -0.032 0.000 2.182 494 D HA -0.045 4.594 4.640 -0.001 0.000 0.201 494 D C 1.763 178.087 176.300 0.040 0.000 0.986 494 D CA 1.167 55.166 54.000 -0.002 0.000 0.847 494 D CB -0.139 40.715 40.800 0.090 0.000 0.942 494 D HN 0.366 nan 8.370 nan 0.000 0.467 495 A N -0.258 122.582 122.820 0.032 0.000 1.935 495 A HA 0.012 4.332 4.320 -0.001 0.000 0.214 495 A C 2.074 179.669 177.584 0.018 0.000 1.178 495 A CA 1.108 53.170 52.037 0.043 0.000 0.640 495 A CB -0.363 18.659 19.000 0.038 0.000 0.825 495 A HN 0.067 nan 8.150 nan 0.000 0.447 496 K N 0.261 120.659 120.400 -0.004 0.000 2.097 496 K HA 0.058 4.378 4.320 -0.001 0.000 0.205 496 K C 1.687 178.266 176.600 -0.036 0.000 1.050 496 K CA 1.190 57.474 56.287 -0.005 0.000 0.938 496 K CB -0.580 31.920 32.500 -0.001 0.000 0.718 496 K HN 0.452 nan 8.250 nan 0.000 0.442 497 L N 0.459 121.627 121.223 -0.091 0.000 2.027 497 L HA -0.152 4.187 4.340 -0.001 0.000 0.206 497 L C 2.536 179.398 176.870 -0.013 0.000 1.074 497 L CA 1.612 56.364 54.840 -0.147 0.000 0.745 497 L CB -0.442 41.321 42.059 -0.493 0.000 0.898 497 L HN 0.257 nan 8.230 nan 0.000 0.433 498 K N 0.171 120.608 120.400 0.061 0.000 2.074 498 K HA -0.283 4.036 4.320 -0.001 0.000 0.209 498 K C 1.985 178.520 176.600 -0.108 0.000 1.048 498 K CA 1.869 58.161 56.287 0.008 0.000 0.926 498 K CB -0.081 32.466 32.500 0.079 0.000 0.713 498 K HN 0.283 nan 8.250 nan 0.000 0.444 499 E N 0.354 120.539 120.200 -0.025 0.000 2.031 499 E HA -0.202 4.148 4.350 -0.001 0.000 0.193 499 E C 2.082 178.701 176.600 0.031 0.000 0.994 499 E CA 1.696 58.096 56.400 -0.000 0.000 0.800 499 E CB -0.119 29.597 29.700 0.027 0.000 0.752 499 E HN 0.354 nan 8.360 nan 0.000 0.447 500 I N 0.624 121.218 120.570 0.039 0.000 2.099 500 I HA -0.288 3.881 4.170 -0.001 0.000 0.239 500 I C 2.710 178.957 176.117 0.216 0.000 1.066 500 I CA 1.346 62.701 61.300 0.092 0.000 1.324 500 I CB -0.706 37.247 38.000 -0.078 0.000 1.037 500 I HN 0.134 nan 8.210 nan 0.000 0.401 501 V N 0.668 120.697 119.914 0.192 0.000 2.233 501 V HA -0.319 3.800 4.120 -0.001 0.000 0.247 501 V C 2.556 178.705 176.094 0.091 0.000 1.050 501 V CA 2.823 65.216 62.300 0.156 0.000 1.010 501 V CB -1.539 30.270 31.823 -0.023 0.000 0.637 501 V HN 0.656 nan 8.190 nan 0.000 0.444 502 T N -0.740 113.753 114.554 -0.103 0.000 2.665 502 T HA -0.252 4.097 4.350 -0.001 0.000 0.268 502 T C 1.871 176.602 174.700 0.051 0.000 1.035 502 T CA 2.066 64.118 62.100 -0.081 0.000 1.151 502 T CB -0.912 67.854 68.868 -0.170 0.000 0.862 502 T HN 0.596 nan 8.240 nan 0.000 0.438 503 N N 0.669 119.425 118.700 0.093 0.000 2.109 503 N HA 0.035 4.774 4.740 -0.001 0.000 0.188 503 N C 1.571 177.193 175.510 0.187 0.000 1.034 503 N CA 1.079 54.202 53.050 0.120 0.000 0.846 503 N CB -0.613 37.944 38.487 0.116 0.000 1.010 503 N HN 0.442 nan 8.380 nan 0.000 0.425 504 F N 2.490 122.510 119.950 0.117 0.000 2.126 504 F HA -0.122 4.404 4.527 -0.001 0.000 0.299 504 F C 2.276 178.216 175.800 0.232 0.000 1.096 504 F CA 0.940 59.027 58.000 0.145 0.000 1.255 504 F CB -0.359 38.764 39.000 0.205 0.000 0.997 504 F HN -0.023 nan 8.300 nan 0.000 0.479 505 L N 0.277 121.777 121.223 0.461 0.000 2.013 505 L HA -0.269 4.070 4.340 -0.001 0.000 0.212 505 L C 2.551 179.534 176.870 0.188 0.000 1.073 505 L CA 2.187 57.219 54.840 0.320 0.000 0.753 505 L CB -1.447 40.678 42.059 0.111 0.000 0.890 505 L HN 0.354 nan 8.230 nan 0.000 0.432 506 A N -0.286 122.598 122.820 0.107 0.000 1.865 506 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 506 A C 2.347 179.943 177.584 0.021 0.000 1.191 506 A CA 1.827 53.896 52.037 0.053 0.000 0.623 506 A CB -1.383 17.639 19.000 0.036 0.000 0.826 506 A HN 0.523 nan 8.150 nan 0.000 0.444 507 G N -1.627 107.167 108.800 -0.010 0.000 2.442 507 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.219 507 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.219 507 G C 1.457 176.300 174.900 -0.094 0.000 1.141 507 G CA 1.143 46.198 45.100 -0.075 0.000 0.763 507 G HN 0.480 nan 8.290 nan 0.000 0.554 508 F N 1.160 120.957 119.950 -0.255 0.000 2.171 508 F HA 0.072 4.598 4.527 -0.001 0.000 0.300 508 F C 2.155 177.910 175.800 -0.075 0.000 1.090 508 F CA 1.266 59.145 58.000 -0.201 0.000 1.293 508 F CB 0.206 39.151 39.000 -0.093 0.000 1.013 508 F HN 0.145 nan 8.300 nan 0.000 0.486 509 E N 0.941 121.150 120.200 0.014 0.000 2.311 509 E HA 0.226 4.575 4.350 -0.001 0.000 0.198 509 E C 0.575 177.119 176.600 -0.093 0.000 1.115 509 E CA -0.184 56.174 56.400 -0.070 0.000 1.140 509 E CB -0.136 29.577 29.700 0.022 0.000 1.204 509 E HN 0.352 nan 8.360 nan 0.000 0.446 510 A N 0.000 122.748 122.820 -0.120 0.000 2.254 510 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 510 A CA 0.000 51.981 52.037 -0.092 0.000 0.836 510 A CB 0.000 18.946 19.000 -0.091 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486