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 1e0u_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKKTKIVCTI GPKTESEEML AKMLDAGMNV MRLNFSHGDY AEHGQRIQNL DATA SEQUENCE RNVMSKTGKT AAILLDTKGP EIRTMKLEGG NDVSLKAGQT FTFTTDKSVI DATA SEQUENCE GNSEMVAVTY EGFTTDLSVG NTVLVDDGLI GMEVTAIEGN KVICKVLNNG DATA SEQUENCE DLGENKGVNL PGVSIALPAL AEKDKQDLIF GCEQGVDFVA ASFIRKRSDV DATA SEQUENCE IEIREHLKAH GGENIHIISK IENQEGLNNF DEILEASDGI MVARGDLGVE DATA SEQUENCE IPVEEVIFAQ KMMIEKCIRA LKVVITATMM LDSMIKNPRP TRAEAGDVAN DATA SEQUENCE AILDGTDAVM LSGESAKGKY PLEAVSIMAT ICERTDRVMN SRLEXXXXXX DATA SEQUENCE XXXITEAVCR GAVETAEKLD APLIVVATQG GKSARAVRKY FPDATILALT DATA SEQUENCE TNEKTAHQLV LSKGVVPQLV KEITSTDDFY RLGKELALQS GLAHKGDVVV DATA SEQUENCE MVSGALVPSG TTNTASVHVL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.321 176.300 0.035 0.000 1.140 1 M CA 0.000 55.320 55.300 0.033 0.000 0.988 1 M CB 0.000 32.620 32.600 0.034 0.000 1.302 2 K N 3.231 123.651 120.400 0.033 0.000 2.234 2 K HA 0.343 4.663 4.320 -0.001 0.000 0.251 2 K C -0.488 176.134 176.600 0.037 0.000 1.011 2 K CA -0.426 55.882 56.287 0.035 0.000 0.889 2 K CB 0.918 33.437 32.500 0.032 0.000 1.011 2 K HN 0.878 nan 8.250 nan 0.000 0.505 3 K N -0.049 120.376 120.400 0.042 0.000 2.443 3 K HA 0.066 4.386 4.320 -0.001 0.000 0.200 3 K C -0.142 176.479 176.600 0.035 0.000 1.278 3 K CA 0.040 56.351 56.287 0.040 0.000 0.925 3 K CB 0.798 33.328 32.500 0.051 0.000 1.225 3 K HN 0.595 nan 8.250 nan 0.000 0.514 4 T N 3.546 118.126 114.554 0.042 0.000 2.902 4 T HA 0.053 4.402 4.350 -0.001 0.000 0.301 4 T C -0.023 174.693 174.700 0.027 0.000 1.012 4 T CA 0.388 62.510 62.100 0.037 0.000 1.151 4 T CB 0.498 69.392 68.868 0.043 0.000 0.946 4 T HN -0.073 nan 8.240 nan 0.000 0.542 5 K N 3.145 123.556 120.400 0.018 0.000 2.098 5 K HA 0.506 4.826 4.320 -0.001 0.000 0.261 5 K C -0.159 176.447 176.600 0.011 0.000 0.987 5 K CA -0.535 55.761 56.287 0.016 0.000 0.916 5 K CB 1.477 33.984 32.500 0.012 0.000 1.039 5 K HN 0.508 nan 8.250 nan 0.000 0.455 6 I N 1.750 122.329 120.570 0.014 0.000 2.389 6 I HA 0.161 4.331 4.170 -0.001 0.000 0.288 6 I C -0.535 175.589 176.117 0.012 0.000 0.999 6 I CA -1.145 60.163 61.300 0.013 0.000 1.129 6 I CB 1.924 39.935 38.000 0.019 0.000 1.288 6 I HN 0.060 nan 8.210 nan 0.000 0.444 7 V N 5.583 125.501 119.914 0.006 0.000 2.383 7 V HA 0.270 4.390 4.120 -0.001 0.000 0.275 7 V C -0.197 175.909 176.094 0.019 0.000 1.036 7 V CA -0.398 61.907 62.300 0.008 0.000 0.889 7 V CB 1.182 32.999 31.823 -0.010 0.000 0.985 7 V HN 0.774 nan 8.190 nan 0.000 0.459 8 C N 3.714 123.031 119.300 0.029 0.000 2.345 8 C HA 0.523 4.983 4.460 -0.001 0.000 0.323 8 C C 0.825 175.841 174.990 0.044 0.000 1.276 8 C CA -0.591 58.448 59.018 0.034 0.000 1.543 8 C CB 1.130 28.890 27.740 0.034 0.000 2.211 8 C HN 0.904 nan 8.230 nan 0.000 0.493 9 T N 5.109 119.691 114.554 0.046 0.000 2.814 9 T HA 0.289 4.638 4.350 -0.001 0.000 0.297 9 T C 0.191 174.924 174.700 0.054 0.000 0.956 9 T CA -0.082 62.053 62.100 0.058 0.000 1.123 9 T CB 0.149 69.053 68.868 0.060 0.000 0.902 9 T HN 0.355 nan 8.240 nan 0.000 0.528 10 I N 3.210 123.819 120.570 0.066 0.000 2.353 10 I HA 0.515 4.684 4.170 -0.001 0.000 0.293 10 I C 0.965 177.108 176.117 0.044 0.000 0.992 10 I CA -0.128 61.204 61.300 0.053 0.000 1.268 10 I CB 0.928 38.966 38.000 0.063 0.000 1.387 10 I HN 0.783 nan 8.210 nan 0.000 0.478 11 G N 6.596 115.406 108.800 0.017 0.000 3.209 11 G HA2 0.546 4.506 3.960 -0.001 0.000 0.236 11 G HA3 0.546 4.506 3.960 -0.001 0.000 0.236 11 G C -2.419 172.466 174.900 -0.025 0.000 1.329 11 G CA -0.680 44.414 45.100 -0.010 0.000 1.015 11 G HN 0.321 nan 8.290 nan 0.000 0.571 12 P HA 0.065 nan 4.420 nan 0.000 0.221 12 P C 1.460 178.735 177.300 -0.042 0.000 1.150 12 P CA 1.026 64.095 63.100 -0.052 0.000 0.800 12 P CB 0.320 31.977 31.700 -0.072 0.000 0.787 13 K N -0.357 120.019 120.400 -0.041 0.000 2.305 13 K HA -0.004 4.316 4.320 -0.001 0.000 0.199 13 K C 1.023 177.607 176.600 -0.027 0.000 1.047 13 K CA 1.347 57.610 56.287 -0.039 0.000 0.976 13 K CB -0.092 32.378 32.500 -0.049 0.000 0.765 13 K HN 0.142 nan 8.250 nan 0.000 0.474 14 T N -2.238 112.306 114.554 -0.016 0.000 3.044 14 T HA 0.052 4.401 4.350 -0.001 0.000 0.260 14 T C 1.101 175.803 174.700 0.004 0.000 1.019 14 T CA -0.174 61.924 62.100 -0.003 0.000 0.921 14 T CB 0.310 69.181 68.868 0.006 0.000 1.053 14 T HN 0.376 nan 8.240 nan 0.000 0.533 15 E N 2.156 122.356 120.200 -0.000 0.000 2.371 15 E HA 0.021 4.370 4.350 -0.001 0.000 0.194 15 E C 1.179 177.784 176.600 0.009 0.000 1.012 15 E CA 0.192 56.597 56.400 0.009 0.000 0.860 15 E CB -0.119 29.585 29.700 0.006 0.000 0.811 15 E HN 0.494 nan 8.360 nan 0.000 0.502 16 S N 0.570 116.271 115.700 0.002 0.000 2.572 16 S HA -0.063 4.407 4.470 -0.001 0.000 0.267 16 S C 0.953 175.559 174.600 0.009 0.000 1.361 16 S CA -0.067 58.135 58.200 0.004 0.000 1.009 16 S CB 1.094 64.293 63.200 -0.001 0.000 0.888 16 S HN 0.308 nan 8.310 nan 0.000 0.553 17 E N 1.300 121.506 120.200 0.010 0.000 2.110 17 E HA -0.189 4.161 4.350 -0.001 0.000 0.193 17 E C 1.867 178.474 176.600 0.011 0.000 0.988 17 E CA 1.625 58.032 56.400 0.012 0.000 0.804 17 E CB -0.228 29.479 29.700 0.012 0.000 0.745 17 E HN 0.777 nan 8.360 nan 0.000 0.458 18 E N 0.502 120.707 120.200 0.008 0.000 2.085 18 E HA -0.197 4.152 4.350 -0.001 0.000 0.194 18 E C 1.833 178.438 176.600 0.008 0.000 0.994 18 E CA 1.107 57.512 56.400 0.007 0.000 0.801 18 E CB -0.088 29.614 29.700 0.005 0.000 0.743 18 E HN 0.088 nan 8.360 nan 0.000 0.453 19 M N -0.100 119.504 119.600 0.007 0.000 2.099 19 M HA -0.037 4.443 4.480 -0.001 0.000 0.262 19 M C 1.817 178.125 176.300 0.013 0.000 1.067 19 M CA 1.371 56.676 55.300 0.008 0.000 1.124 19 M CB -0.383 32.219 32.600 0.004 0.000 1.353 19 M HN 0.093 nan 8.290 nan 0.000 0.410 20 L N -0.623 120.608 121.223 0.015 0.000 1.997 20 L HA -0.280 4.060 4.340 -0.001 0.000 0.216 20 L C 2.449 179.330 176.870 0.018 0.000 1.074 20 L CA 1.597 56.448 54.840 0.018 0.000 0.763 20 L CB -1.258 40.813 42.059 0.019 0.000 0.890 20 L HN 0.394 nan 8.230 nan 0.000 0.434 21 A N -0.326 122.504 122.820 0.016 0.000 1.933 21 A HA -0.233 4.087 4.320 -0.001 0.000 0.218 21 A C 2.317 179.911 177.584 0.017 0.000 1.175 21 A CA 1.819 53.866 52.037 0.016 0.000 0.628 21 A CB -0.387 18.622 19.000 0.014 0.000 0.814 21 A HN 0.341 nan 8.150 nan 0.000 0.444 22 K N -1.003 119.407 120.400 0.016 0.000 2.211 22 K HA 0.001 4.321 4.320 -0.001 0.000 0.203 22 K C 2.015 178.627 176.600 0.020 0.000 1.050 22 K CA 1.290 57.588 56.287 0.017 0.000 0.945 22 K CB -0.162 32.348 32.500 0.016 0.000 0.732 22 K HN 0.507 nan 8.250 nan 0.000 0.451 23 M N 0.223 119.836 119.600 0.021 0.000 2.160 23 M HA -0.067 4.413 4.480 -0.001 0.000 0.264 23 M C 2.101 178.415 176.300 0.024 0.000 1.073 23 M CA 1.283 56.597 55.300 0.023 0.000 1.142 23 M CB -0.489 32.126 32.600 0.024 0.000 1.358 23 M HN 0.101 nan 8.290 nan 0.000 0.422 24 L N 0.324 121.561 121.223 0.023 0.000 2.081 24 L HA -0.274 4.065 4.340 -0.001 0.000 0.212 24 L C 2.106 178.990 176.870 0.024 0.000 1.080 24 L CA 1.153 56.008 54.840 0.024 0.000 0.754 24 L CB -0.950 41.123 42.059 0.023 0.000 0.893 24 L HN 0.288 nan 8.230 nan 0.000 0.433 25 D N 0.229 120.642 120.400 0.023 0.000 2.097 25 D HA -0.143 4.496 4.640 -0.001 0.000 0.195 25 D C 2.154 178.468 176.300 0.023 0.000 0.989 25 D CA 1.627 55.640 54.000 0.022 0.000 0.827 25 D CB 0.002 40.815 40.800 0.020 0.000 0.966 25 D HN 0.317 nan 8.370 nan 0.000 0.456 26 A N -0.924 121.910 122.820 0.023 0.000 2.206 26 A HA 0.353 4.673 4.320 -0.001 0.000 0.211 26 A C 1.698 179.297 177.584 0.024 0.000 1.158 26 A CA 1.555 53.606 52.037 0.024 0.000 0.761 26 A CB 0.092 19.107 19.000 0.025 0.000 0.801 26 A HN 0.339 nan 8.150 nan 0.000 0.473 27 G N -2.220 106.595 108.800 0.025 0.000 2.613 27 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.199 27 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.199 27 G C 0.228 175.144 174.900 0.026 0.000 0.991 27 G CA -0.029 45.086 45.100 0.025 0.000 0.756 27 G HN 0.368 nan 8.290 nan 0.000 0.515 28 M N 1.360 120.976 119.600 0.026 0.000 2.260 28 M HA 0.308 4.788 4.480 -0.001 0.000 0.348 28 M C 1.061 177.379 176.300 0.030 0.000 1.342 28 M CA 1.227 56.543 55.300 0.027 0.000 1.040 28 M CB 0.227 32.844 32.600 0.028 0.000 1.810 28 M HN 0.284 nan 8.290 nan 0.000 0.453 29 N N 2.153 120.872 118.700 0.031 0.000 2.474 29 N HA 0.210 4.950 4.740 -0.001 0.000 0.224 29 N C -1.120 174.416 175.510 0.044 0.000 1.092 29 N CA -0.256 52.816 53.050 0.037 0.000 0.844 29 N CB 0.970 39.480 38.487 0.038 0.000 1.381 29 N HN 0.367 nan 8.380 nan 0.000 0.458 30 V N 1.625 121.562 119.914 0.039 0.000 2.735 30 V HA 0.366 4.486 4.120 -0.001 0.000 0.310 30 V C -0.904 175.218 176.094 0.046 0.000 1.061 30 V CA -0.759 61.571 62.300 0.050 0.000 0.913 30 V CB 2.306 34.153 31.823 0.040 0.000 1.005 30 V HN 0.195 nan 8.190 nan 0.000 0.428 31 M N 5.071 124.705 119.600 0.055 0.000 2.144 31 M HA 0.551 5.031 4.480 -0.001 0.000 0.356 31 M C -0.228 176.120 176.300 0.079 0.000 1.217 31 M CA -0.385 54.951 55.300 0.061 0.000 1.087 31 M CB 0.662 33.297 32.600 0.059 0.000 1.609 31 M HN 0.791 nan 8.290 nan 0.000 0.467 32 R N 5.461 126.009 120.500 0.079 0.000 2.460 32 R HA 0.636 4.976 4.340 -0.001 0.000 0.303 32 R C -1.980 174.391 176.300 0.118 0.000 0.968 32 R CA -0.608 55.548 56.100 0.094 0.000 0.889 32 R CB 1.137 31.482 30.300 0.075 0.000 1.123 32 R HN 0.847 nan 8.270 nan 0.000 0.455 33 L N 4.085 125.398 121.223 0.150 0.000 2.316 33 L HA 0.318 4.658 4.340 -0.001 0.000 0.280 33 L C -0.519 176.467 176.870 0.193 0.000 1.006 33 L CA -0.986 53.953 54.840 0.164 0.000 0.836 33 L CB 1.562 43.739 42.059 0.198 0.000 1.221 33 L HN 0.662 nan 8.230 nan 0.000 0.418 34 N N 2.779 121.568 118.700 0.149 0.000 2.469 34 N HA 0.136 4.876 4.740 -0.001 0.000 0.239 34 N C 0.230 175.795 175.510 0.093 0.000 1.053 34 N CA -0.128 53.007 53.050 0.141 0.000 0.937 34 N CB 0.402 38.961 38.487 0.119 0.000 1.163 34 N HN 0.316 nan 8.380 nan 0.000 0.509 35 F N 1.331 121.274 119.950 -0.013 0.000 2.816 35 F HA 0.070 4.597 4.527 -0.000 0.000 0.302 35 F C 2.081 177.823 175.800 -0.096 0.000 1.178 35 F CA 0.169 58.156 58.000 -0.022 0.000 1.421 35 F CB 0.032 38.996 39.000 -0.061 0.000 1.114 35 F HN 0.458 nan 8.300 nan 0.000 0.573 36 S N -1.275 114.372 115.700 -0.088 0.000 2.442 36 S HA -0.094 4.376 4.470 -0.001 0.000 0.236 36 S C 0.417 174.620 174.600 -0.661 0.000 1.007 36 S CA 0.945 58.912 58.200 -0.387 0.000 0.965 36 S CB -0.321 62.528 63.200 -0.585 0.000 0.773 36 S HN 0.372 nan 8.310 nan 0.000 0.504 37 H N -1.691 117.352 119.070 -0.045 0.000 2.966 37 H HA 0.520 5.076 4.556 -0.000 0.000 0.330 37 H C 0.376 175.565 175.328 -0.231 0.000 1.292 37 H CA -0.355 55.624 56.048 -0.115 0.000 1.127 37 H CB 0.869 30.567 29.762 -0.106 0.000 1.863 37 H HN 0.292 nan 8.280 nan 0.000 0.543 38 G N 1.244 109.953 108.800 -0.152 0.000 2.758 38 G HA2 -0.115 3.845 3.960 -0.001 0.000 0.686 38 G HA3 -0.115 3.845 3.960 -0.001 0.000 0.686 38 G C -0.873 173.734 174.900 -0.489 0.000 1.389 38 G CA -0.051 44.794 45.100 -0.425 0.000 0.845 38 G HN 0.938 nan 8.290 nan 0.000 0.572 39 D N -1.103 118.995 120.400 -0.502 0.000 2.449 39 D HA 0.561 5.201 4.640 -0.001 0.000 0.250 39 D C 1.064 177.112 176.300 -0.419 0.000 1.050 39 D CA -0.943 52.771 54.000 -0.477 0.000 1.024 39 D CB 0.301 40.927 40.800 -0.290 0.000 1.218 39 D HN 0.329 nan 8.370 nan 0.000 0.566 40 Y N -0.271 119.928 120.300 -0.169 0.000 2.333 40 Y HA 0.057 4.607 4.550 -0.000 0.000 0.290 40 Y C 2.513 178.411 175.900 -0.004 0.000 1.144 40 Y CA 1.275 59.226 58.100 -0.248 0.000 1.228 40 Y CB -0.920 37.384 38.460 -0.260 0.000 0.985 40 Y HN 0.564 nan 8.280 nan 0.000 0.542 41 A N 0.026 122.913 122.820 0.111 0.000 1.970 41 A HA -0.116 4.204 4.320 -0.001 0.000 0.216 41 A C 2.057 179.685 177.584 0.073 0.000 1.170 41 A CA 1.230 53.340 52.037 0.121 0.000 0.645 41 A CB -0.375 18.669 19.000 0.074 0.000 0.816 41 A HN 0.486 nan 8.150 nan 0.000 0.447 42 E N -0.748 119.423 120.200 -0.048 0.000 2.028 42 E HA -0.183 4.167 4.350 -0.001 0.000 0.191 42 E C 1.959 178.543 176.600 -0.025 0.000 0.988 42 E CA 1.169 57.502 56.400 -0.110 0.000 0.799 42 E CB -0.423 29.119 29.700 -0.263 0.000 0.755 42 E HN 0.629 nan 8.360 nan 0.000 0.447 43 H N 0.261 119.336 119.070 0.009 0.000 2.319 43 H HA -0.107 4.448 4.556 -0.000 0.000 0.297 43 H C 2.344 177.849 175.328 0.295 0.000 1.097 43 H CA 1.623 57.747 56.048 0.127 0.000 1.285 43 H CB -0.888 28.938 29.762 0.108 0.000 1.368 43 H HN 0.321 nan 8.280 nan 0.000 0.495 44 G N 0.116 109.233 108.800 0.528 0.000 2.469 44 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.219 44 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.219 44 G C 1.813 176.836 174.900 0.206 0.000 1.150 44 G CA 1.145 46.484 45.100 0.399 0.000 0.763 44 G HN 0.338 nan 8.290 nan 0.000 0.561 45 Q N 0.287 120.182 119.800 0.158 0.000 2.083 45 Q HA 0.087 4.426 4.340 -0.001 0.000 0.198 45 Q C 2.571 178.624 176.000 0.087 0.000 0.969 45 Q CA 1.273 57.132 55.803 0.094 0.000 0.838 45 Q CB -0.395 28.380 28.738 0.061 0.000 0.900 45 Q HN 0.485 nan 8.270 nan 0.000 0.436 46 R N -0.510 120.055 120.500 0.108 0.000 2.083 46 R HA -0.094 4.245 4.340 -0.001 0.000 0.237 46 R C 2.288 178.651 176.300 0.105 0.000 1.137 46 R CA 1.671 57.833 56.100 0.103 0.000 0.951 46 R CB -0.360 30.024 30.300 0.140 0.000 0.851 46 R HN 0.340 nan 8.270 nan 0.000 0.434 47 I N 0.091 120.745 120.570 0.140 0.000 2.226 47 I HA -0.296 3.874 4.170 -0.001 0.000 0.245 47 I C 2.528 178.676 176.117 0.051 0.000 1.100 47 I CA 1.163 62.519 61.300 0.092 0.000 1.374 47 I CB -0.207 37.845 38.000 0.087 0.000 1.057 47 I HN 0.216 nan 8.210 nan 0.000 0.413 48 Q N 1.290 121.127 119.800 0.061 0.000 2.061 48 Q HA -0.219 4.121 4.340 -0.001 0.000 0.204 48 Q C 1.908 177.926 176.000 0.031 0.000 0.984 48 Q CA 1.911 57.738 55.803 0.039 0.000 0.846 48 Q CB -0.191 28.574 28.738 0.045 0.000 0.902 48 Q HN 0.401 nan 8.270 nan 0.000 0.421 49 N N -0.056 118.667 118.700 0.037 0.000 2.061 49 N HA -0.179 4.561 4.740 -0.001 0.000 0.193 49 N C 1.529 177.052 175.510 0.022 0.000 1.030 49 N CA 1.260 54.327 53.050 0.028 0.000 0.856 49 N CB -0.612 37.892 38.487 0.029 0.000 1.023 49 N HN 0.243 nan 8.380 nan 0.000 0.424 50 L N 1.726 122.963 121.223 0.024 0.000 1.989 50 L HA -0.120 4.220 4.340 -0.001 0.000 0.211 50 L C 2.132 179.003 176.870 0.002 0.000 1.071 50 L CA 1.645 56.494 54.840 0.014 0.000 0.749 50 L CB -0.548 41.519 42.059 0.013 0.000 0.890 50 L HN 0.067 nan 8.230 nan 0.000 0.431 51 R N -0.706 119.792 120.500 -0.003 0.000 2.105 51 R HA -0.187 4.153 4.340 -0.001 0.000 0.239 51 R C 2.045 178.347 176.300 0.003 0.000 1.135 51 R CA 1.595 57.688 56.100 -0.011 0.000 0.967 51 R CB -0.560 29.732 30.300 -0.014 0.000 0.861 51 R HN 0.461 nan 8.270 nan 0.000 0.442 52 N N -0.032 118.674 118.700 0.009 0.000 2.058 52 N HA -0.139 4.600 4.740 -0.001 0.000 0.191 52 N C 1.698 177.215 175.510 0.012 0.000 1.037 52 N CA 1.244 54.301 53.050 0.012 0.000 0.848 52 N CB -0.220 38.276 38.487 0.014 0.000 1.021 52 N HN -0.063 nan 8.380 nan 0.000 0.422 53 V N 0.862 120.783 119.914 0.012 0.000 2.392 53 V HA -0.268 3.852 4.120 -0.001 0.000 0.249 53 V C 2.206 178.308 176.094 0.013 0.000 1.059 53 V CA 1.472 63.780 62.300 0.013 0.000 1.051 53 V CB -0.458 31.373 31.823 0.014 0.000 0.658 53 V HN 0.371 nan 8.190 nan 0.000 0.455 54 M N -0.243 119.363 119.600 0.010 0.000 2.065 54 M HA -0.212 4.267 4.480 -0.001 0.000 0.259 54 M C 2.559 178.870 176.300 0.019 0.000 1.071 54 M CA 2.410 57.718 55.300 0.013 0.000 1.109 54 M CB -0.479 32.123 32.600 0.004 0.000 1.313 54 M HN 0.457 nan 8.290 nan 0.000 0.408 55 S N 0.066 115.776 115.700 0.018 0.000 2.383 55 S HA -0.184 4.285 4.470 -0.001 0.000 0.229 55 S C 1.782 176.392 174.600 0.017 0.000 1.030 55 S CA 1.547 59.758 58.200 0.019 0.000 1.002 55 S CB -0.182 63.028 63.200 0.016 0.000 0.829 55 S HN 0.401 nan 8.310 nan 0.000 0.467 56 K N -0.166 120.243 120.400 0.015 0.000 2.217 56 K HA -0.000 4.319 4.320 -0.001 0.000 0.202 56 K C 1.962 178.571 176.600 0.015 0.000 1.051 56 K CA 1.523 57.819 56.287 0.014 0.000 0.952 56 K CB -0.056 32.451 32.500 0.013 0.000 0.736 56 K HN 0.707 nan 8.250 nan 0.000 0.453 57 T N -4.734 109.830 114.554 0.017 0.000 2.975 57 T HA 0.216 4.566 4.350 -0.001 0.000 0.257 57 T C 1.298 176.010 174.700 0.020 0.000 1.003 57 T CA 0.360 62.471 62.100 0.018 0.000 0.932 57 T CB 0.950 69.829 68.868 0.018 0.000 1.087 57 T HN 0.229 nan 8.240 nan 0.000 0.512 58 G N 2.046 110.859 108.800 0.022 0.000 2.159 58 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.256 58 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.256 58 G C 0.037 174.955 174.900 0.029 0.000 0.977 58 G CA 0.175 45.290 45.100 0.025 0.000 0.652 58 G HN 0.649 nan 8.290 nan 0.000 0.531 59 K N 0.765 121.182 120.400 0.028 0.000 2.168 59 K HA 0.495 4.815 4.320 -0.001 0.000 0.258 59 K C 0.229 176.853 176.600 0.039 0.000 1.010 59 K CA 0.470 56.776 56.287 0.032 0.000 0.929 59 K CB 0.635 33.151 32.500 0.027 0.000 0.998 59 K HN 0.245 nan 8.250 nan 0.000 0.479 60 T N -0.209 114.373 114.554 0.047 0.000 2.856 60 T HA 0.672 5.021 4.350 -0.001 0.000 0.283 60 T C -0.527 174.202 174.700 0.050 0.000 1.008 60 T CA -0.958 61.181 62.100 0.065 0.000 0.997 60 T CB 1.851 70.777 68.868 0.096 0.000 0.992 60 T HN 0.675 nan 8.240 nan 0.000 0.454 61 A N 1.170 124.006 122.820 0.027 0.000 2.552 61 A HA 1.037 5.357 4.320 -0.001 0.000 0.288 61 A C -1.176 176.408 177.584 -0.000 0.000 1.193 61 A CA -0.837 51.210 52.037 0.017 0.000 0.713 61 A CB 1.178 20.178 19.000 0.000 0.000 1.305 61 A HN 1.313 nan 8.150 nan 0.000 0.424 62 A N -0.608 122.235 122.820 0.037 0.000 2.479 62 A HA 0.835 5.155 4.320 -0.001 0.000 0.296 62 A C -1.308 176.319 177.584 0.071 0.000 1.121 62 A CA -0.448 51.621 52.037 0.054 0.000 0.743 62 A CB 0.971 20.100 19.000 0.215 0.000 1.323 62 A HN 0.811 nan 8.150 nan 0.000 0.415 63 I N 1.120 121.737 120.570 0.079 0.000 2.439 63 I HA 0.377 4.547 4.170 -0.001 0.000 0.285 63 I C -0.892 175.325 176.117 0.167 0.000 1.021 63 I CA -0.228 61.127 61.300 0.091 0.000 1.091 63 I CB 1.670 39.684 38.000 0.023 0.000 1.242 63 I HN 0.592 nan 8.210 nan 0.000 0.439 64 L N 7.473 128.800 121.223 0.174 0.000 2.305 64 L HA 0.580 4.920 4.340 -0.001 0.000 0.284 64 L C -1.241 175.720 176.870 0.151 0.000 1.013 64 L CA -0.610 54.346 54.840 0.193 0.000 0.819 64 L CB 1.560 43.703 42.059 0.142 0.000 1.227 64 L HN 0.584 nan 8.230 nan 0.000 0.417 65 L N 5.180 126.485 121.223 0.137 0.000 2.257 65 L HA 0.391 4.731 4.340 -0.001 0.000 0.290 65 L C -0.753 176.173 176.870 0.092 0.000 1.044 65 L CA -0.332 54.573 54.840 0.109 0.000 0.810 65 L CB 0.890 42.953 42.059 0.006 0.000 1.193 65 L HN 0.630 nan 8.230 nan 0.000 0.425 66 D N 3.589 124.074 120.400 0.142 0.000 2.317 66 D HA 0.153 4.793 4.640 -0.001 0.000 0.234 66 D C -0.035 176.321 176.300 0.094 0.000 1.112 66 D CA -0.125 53.939 54.000 0.107 0.000 0.840 66 D CB 1.494 42.365 40.800 0.118 0.000 1.078 66 D HN 0.587 nan 8.370 nan 0.000 0.486 67 T N 0.791 115.367 114.554 0.036 0.000 2.860 67 T HA 0.106 4.456 4.350 -0.001 0.000 0.299 67 T C 1.164 175.889 174.700 0.041 0.000 1.045 67 T CA -0.329 61.782 62.100 0.019 0.000 1.071 67 T CB 1.813 70.669 68.868 -0.019 0.000 0.985 67 T HN 0.396 nan 8.240 nan 0.000 0.537 68 K N 1.588 122.008 120.400 0.034 0.000 2.067 68 K HA 0.231 4.551 4.320 -0.001 0.000 0.203 68 K C 1.211 177.802 176.600 -0.015 0.000 1.048 68 K CA 0.930 57.217 56.287 0.001 0.000 0.954 68 K CB -0.987 31.506 32.500 -0.012 0.000 0.737 68 K HN 1.144 nan 8.250 nan 0.000 0.444 69 G N 1.402 110.193 108.800 -0.014 0.000 2.796 69 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.226 69 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.226 69 G C -2.615 172.257 174.900 -0.048 0.000 1.381 69 G CA -0.360 44.731 45.100 -0.014 0.000 0.867 69 G HN 0.258 nan 8.290 nan 0.000 0.552 70 P HA 0.318 nan 4.420 nan 0.000 0.268 70 P C -0.209 176.946 177.300 -0.242 0.000 1.205 70 P CA 0.659 63.688 63.100 -0.118 0.000 0.771 70 P CB 0.985 32.637 31.700 -0.079 0.000 0.858 71 E N 1.329 121.388 120.200 -0.236 0.000 2.412 71 E HA 0.491 4.841 4.350 -0.001 0.000 0.279 71 E C -0.813 175.654 176.600 -0.222 0.000 0.984 71 E CA -0.841 55.395 56.400 -0.274 0.000 0.788 71 E CB 1.967 31.560 29.700 -0.178 0.000 1.277 71 E HN 0.338 nan 8.360 nan 0.000 0.455 72 I N 1.775 122.236 120.570 -0.180 0.000 2.362 72 I HA 0.406 4.575 4.170 -0.001 0.000 0.289 72 I C -0.157 175.932 176.117 -0.047 0.000 0.994 72 I CA -0.339 60.925 61.300 -0.059 0.000 1.158 72 I CB 1.326 39.354 38.000 0.047 0.000 1.315 72 I HN 0.182 nan 8.210 nan 0.000 0.451 73 R N 2.829 123.307 120.500 -0.037 0.000 2.832 73 R HA 0.571 4.911 4.340 -0.001 0.000 0.271 73 R C -0.351 175.931 176.300 -0.029 0.000 0.996 73 R CA -0.634 55.448 56.100 -0.030 0.000 0.977 73 R CB 2.196 32.484 30.300 -0.021 0.000 1.168 73 R HN 0.683 nan 8.270 nan 0.000 0.482 74 T N -0.540 114.020 114.554 0.011 0.000 2.899 74 T HA 0.339 4.688 4.350 -0.001 0.000 0.284 74 T C 1.011 175.734 174.700 0.040 0.000 1.004 74 T CA -0.682 61.452 62.100 0.057 0.000 1.043 74 T CB 0.857 69.815 68.868 0.150 0.000 1.013 74 T HN 0.415 nan 8.240 nan 0.000 0.518 75 M N 0.677 120.302 119.600 0.042 0.000 2.318 75 M HA 0.485 4.964 4.480 -0.001 0.000 0.213 75 M C 0.278 176.597 176.300 0.032 0.000 0.872 75 M CA -0.840 54.476 55.300 0.027 0.000 1.879 75 M CB -0.229 32.381 32.600 0.016 0.000 1.114 75 M HN 0.419 nan 8.290 nan 0.000 0.908 76 K N 0.890 121.304 120.400 0.023 0.000 2.118 76 K HA 0.681 5.001 4.320 -0.001 0.000 0.264 76 K C -0.934 175.681 176.600 0.025 0.000 1.000 76 K CA -0.286 56.014 56.287 0.021 0.000 0.929 76 K CB 1.274 33.781 32.500 0.012 0.000 1.021 76 K HN 0.349 nan 8.250 nan 0.000 0.463 77 L N 1.432 122.668 121.223 0.023 0.000 2.319 77 L HA 0.314 4.654 4.340 -0.001 0.000 0.267 77 L C 0.025 176.904 176.870 0.014 0.000 1.011 77 L CA -0.979 53.875 54.840 0.024 0.000 0.818 77 L CB 1.689 43.765 42.059 0.028 0.000 1.316 77 L HN 0.577 nan 8.230 nan 0.000 0.432 78 E N 1.150 121.358 120.200 0.012 0.000 2.694 78 E HA 0.009 4.359 4.350 -0.001 0.000 0.250 78 E C 0.947 177.550 176.600 0.006 0.000 0.963 78 E CA 0.921 57.325 56.400 0.007 0.000 0.949 78 E CB 0.214 29.918 29.700 0.006 0.000 0.911 78 E HN 0.881 nan 8.360 nan 0.000 0.500 79 G N 3.302 112.104 108.800 0.003 0.000 2.200 79 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.267 79 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.267 79 G C 0.905 175.806 174.900 0.002 0.000 0.993 79 G CA 0.544 45.645 45.100 0.002 0.000 0.701 79 G HN 1.274 nan 8.290 nan 0.000 0.524 80 G N -1.623 107.180 108.800 0.004 0.000 2.147 80 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.244 80 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.244 80 G C 0.043 174.945 174.900 0.004 0.000 1.005 80 G CA 0.520 45.622 45.100 0.004 0.000 0.713 80 G HN 0.960 nan 8.290 nan 0.000 0.515 81 N N 0.726 119.429 118.700 0.005 0.000 2.443 81 N HA 0.430 5.170 4.740 -0.001 0.000 0.295 81 N C -0.208 175.305 175.510 0.006 0.000 1.076 81 N CA -0.585 52.467 53.050 0.004 0.000 0.919 81 N CB 1.040 39.529 38.487 0.003 0.000 1.176 81 N HN 0.141 nan 8.380 nan 0.000 0.487 82 D N 0.081 120.482 120.400 0.001 0.000 2.419 82 D HA 0.128 4.768 4.640 -0.001 0.000 0.236 82 D C -0.017 176.282 176.300 -0.003 0.000 1.165 82 D CA 0.342 54.341 54.000 -0.003 0.000 0.882 82 D CB 0.674 41.470 40.800 -0.007 0.000 1.201 82 D HN 0.208 nan 8.370 nan 0.000 0.443 83 V N -1.550 118.358 119.914 -0.009 0.000 2.709 83 V HA 0.558 4.678 4.120 -0.001 0.000 0.308 83 V C -0.144 175.929 176.094 -0.035 0.000 1.062 83 V CA -0.895 61.400 62.300 -0.008 0.000 0.901 83 V CB 2.151 33.985 31.823 0.019 0.000 1.003 83 V HN 0.328 nan 8.190 nan 0.000 0.425 84 S N 5.067 120.750 115.700 -0.028 0.000 2.416 84 S HA 0.621 5.091 4.470 -0.001 0.000 0.287 84 S C -0.106 174.460 174.600 -0.056 0.000 1.139 84 S CA -0.428 57.748 58.200 -0.040 0.000 1.058 84 S CB -0.164 63.023 63.200 -0.022 0.000 0.967 84 S HN 0.622 nan 8.310 nan 0.000 0.495 85 L N 3.161 124.324 121.223 -0.101 0.000 2.421 85 L HA 0.656 4.996 4.340 -0.001 0.000 0.263 85 L C 0.520 177.352 176.870 -0.064 0.000 1.122 85 L CA -0.755 54.015 54.840 -0.118 0.000 0.804 85 L CB 0.482 42.389 42.059 -0.254 0.000 1.150 85 L HN 0.499 nan 8.230 nan 0.000 0.457 86 K N 1.372 121.748 120.400 -0.040 0.000 2.443 86 K HA 0.774 5.094 4.320 -0.001 0.000 0.252 86 K C -0.240 176.356 176.600 -0.008 0.000 0.933 86 K CA -0.212 56.065 56.287 -0.018 0.000 0.792 86 K CB 1.564 34.061 32.500 -0.005 0.000 1.185 86 K HN 0.789 nan 8.250 nan 0.000 0.425 87 A N 0.318 123.134 122.820 -0.006 0.000 2.587 87 A HA 0.465 4.785 4.320 -0.001 0.000 0.233 87 A C 1.805 179.396 177.584 0.013 0.000 1.049 87 A CA 1.732 53.771 52.037 0.004 0.000 0.754 87 A CB -0.781 18.221 19.000 0.003 0.000 0.977 87 A HN 2.615 nan 8.150 nan 0.000 0.509 88 G N 0.271 109.084 108.800 0.022 0.000 2.336 88 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.233 88 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.233 88 G C 0.623 175.543 174.900 0.033 0.000 1.053 88 G CA 0.803 45.918 45.100 0.026 0.000 0.625 88 G HN 1.653 nan 8.290 nan 0.000 0.511 89 Q N 1.294 121.115 119.800 0.035 0.000 2.584 89 Q HA 0.471 4.811 4.340 -0.001 0.000 0.235 89 Q C -0.371 175.671 176.000 0.070 0.000 1.079 89 Q CA 0.926 56.758 55.803 0.048 0.000 0.977 89 Q CB 0.345 29.116 28.738 0.055 0.000 1.293 89 Q HN 0.234 nan 8.270 nan 0.000 0.553 90 T N 2.216 116.811 114.554 0.068 0.000 2.875 90 T HA 0.544 4.893 4.350 -0.001 0.000 0.284 90 T C -1.316 173.457 174.700 0.121 0.000 0.995 90 T CA -0.284 61.860 62.100 0.073 0.000 1.060 90 T CB 0.323 69.208 68.868 0.029 0.000 0.967 90 T HN 0.452 nan 8.240 nan 0.000 0.476 91 F N 1.166 121.075 119.950 -0.068 0.000 2.601 91 F HA 0.590 5.117 4.527 -0.001 0.000 0.309 91 F C -0.561 175.128 175.800 -0.186 0.000 1.089 91 F CA -0.385 57.524 58.000 -0.152 0.000 0.940 91 F CB 2.250 41.142 39.000 -0.180 0.000 1.273 91 F HN 0.448 nan 8.300 nan 0.000 0.450 92 T N 4.707 118.661 114.554 -1.000 0.000 2.916 92 T HA 0.548 4.898 4.350 -0.001 0.000 0.298 92 T C -1.617 172.683 174.700 -0.666 0.000 1.031 92 T CA -0.325 61.439 62.100 -0.560 0.000 0.993 92 T CB 0.963 69.610 68.868 -0.369 0.000 1.045 92 T HN 0.287 nan 8.240 nan 0.000 0.454 93 F N 1.593 121.471 119.950 -0.120 0.000 2.469 93 F HA 0.634 5.161 4.527 -0.000 0.000 0.332 93 F C 0.812 176.555 175.800 -0.095 0.000 1.103 93 F CA -0.614 57.324 58.000 -0.102 0.000 0.979 93 F CB 2.131 41.121 39.000 -0.017 0.000 1.137 93 F HN 0.339 nan 8.300 nan 0.000 0.463 94 T N 0.273 114.856 114.554 0.049 0.000 2.841 94 T HA 0.295 4.644 4.350 -0.001 0.000 0.283 94 T C 0.869 175.559 174.700 -0.016 0.000 1.000 94 T CA -0.222 61.882 62.100 0.006 0.000 0.977 94 T CB 1.163 70.011 68.868 -0.033 0.000 0.979 94 T HN 0.786 nan 8.240 nan 0.000 0.446 95 T N 0.675 115.223 114.554 -0.009 0.000 3.085 95 T HA 0.036 4.386 4.350 -0.001 0.000 0.263 95 T C 0.743 175.429 174.700 -0.023 0.000 1.127 95 T CA 0.208 62.292 62.100 -0.028 0.000 1.103 95 T CB -0.185 68.665 68.868 -0.030 0.000 0.921 95 T HN 0.566 nan 8.240 nan 0.000 0.510 96 D N 2.270 122.659 120.400 -0.018 0.000 2.385 96 D HA 0.062 4.702 4.640 -0.001 0.000 0.260 96 D C 0.613 176.905 176.300 -0.013 0.000 1.326 96 D CA 0.011 54.002 54.000 -0.015 0.000 1.023 96 D CB 0.350 41.141 40.800 -0.016 0.000 1.083 96 D HN 0.377 nan 8.370 nan 0.000 0.517 97 K N 1.117 121.512 120.400 -0.008 0.000 2.675 97 K HA -0.093 4.227 4.320 -0.001 0.000 0.194 97 K C 1.604 178.202 176.600 -0.004 0.000 1.029 97 K CA 0.552 56.837 56.287 -0.004 0.000 0.980 97 K CB 0.062 32.564 32.500 0.003 0.000 0.803 97 K HN 0.329 nan 8.250 nan 0.000 0.493 98 S N -1.134 114.562 115.700 -0.007 0.000 2.497 98 S HA 0.059 4.528 4.470 -0.001 0.000 0.221 98 S C 0.878 175.473 174.600 -0.009 0.000 1.037 98 S CA -0.490 57.706 58.200 -0.006 0.000 0.920 98 S CB 0.086 63.282 63.200 -0.006 0.000 0.800 98 S HN -0.062 nan 8.310 nan 0.000 0.505 99 V N 3.498 123.404 119.914 -0.014 0.000 2.788 99 V HA 0.141 4.261 4.120 -0.001 0.000 0.307 99 V C 0.160 176.247 176.094 -0.013 0.000 1.069 99 V CA 0.241 62.530 62.300 -0.019 0.000 1.173 99 V CB 0.398 32.203 31.823 -0.030 0.000 0.925 99 V HN 0.485 nan 8.190 nan 0.000 0.492 100 I N 4.436 124.998 120.570 -0.013 0.000 2.359 100 I HA 0.369 4.539 4.170 -0.001 0.000 0.284 100 I C 0.820 176.931 176.117 -0.010 0.000 1.018 100 I CA 0.161 61.457 61.300 -0.006 0.000 1.173 100 I CB 0.943 38.940 38.000 -0.005 0.000 1.326 100 I HN 0.722 nan 8.210 nan 0.000 0.462 101 G N 5.620 114.420 108.800 -0.001 0.000 2.562 101 G HA2 0.487 4.447 3.960 -0.001 0.000 0.275 101 G HA3 0.487 4.447 3.960 -0.001 0.000 0.275 101 G C -0.219 174.692 174.900 0.019 0.000 1.196 101 G CA -0.233 44.865 45.100 -0.002 0.000 0.908 101 G HN 0.738 nan 8.290 nan 0.000 0.524 102 N N -3.202 115.516 118.700 0.030 0.000 3.506 102 N HA 0.203 4.942 4.740 -0.001 0.000 0.331 102 N C 0.917 176.503 175.510 0.127 0.000 1.631 102 N CA 0.040 53.120 53.050 0.051 0.000 0.786 102 N CB 0.296 38.793 38.487 0.017 0.000 2.023 102 N HN 0.398 nan 8.380 nan 0.000 0.621 103 S N -1.705 114.061 115.700 0.109 0.000 2.584 103 S HA -0.046 4.423 4.470 -0.001 0.000 0.240 103 S C 0.304 175.055 174.600 0.252 0.000 0.975 103 S CA 0.954 59.253 58.200 0.166 0.000 0.949 103 S CB -0.725 62.520 63.200 0.076 0.000 0.761 103 S HN 0.645 nan 8.310 nan 0.000 0.536 104 E N -0.290 119.960 120.200 0.083 0.000 2.453 104 E HA 0.424 4.774 4.350 -0.001 0.000 0.211 104 E C 0.175 176.369 176.600 -0.677 0.000 0.897 104 E CA -0.035 56.308 56.400 -0.095 0.000 1.063 104 E CB 0.545 30.188 29.700 -0.095 0.000 1.080 104 E HN 0.615 nan 8.360 nan 0.000 0.512 105 M N 0.780 119.997 119.600 -0.638 0.000 2.534 105 M HA 0.481 4.961 4.480 -0.001 0.000 0.280 105 M C -2.304 173.721 176.300 -0.458 0.000 1.217 105 M CA -0.791 53.986 55.300 -0.873 0.000 0.893 105 M CB 2.770 35.112 32.600 -0.429 0.000 1.730 105 M HN -0.085 nan 8.290 nan 0.000 0.483 106 V N 1.994 121.661 119.914 -0.412 0.000 3.147 106 V HA 0.975 5.095 4.120 -0.001 0.000 0.306 106 V C -1.198 174.886 176.094 -0.015 0.000 1.209 106 V CA -0.203 62.058 62.300 -0.065 0.000 1.023 106 V CB 2.366 34.284 31.823 0.158 0.000 1.059 106 V HN 1.127 nan 8.190 nan 0.000 0.435 107 A N 3.052 125.882 122.820 0.016 0.000 2.293 107 A HA 0.828 5.148 4.320 -0.001 0.000 0.302 107 A C -0.449 177.145 177.584 0.016 0.000 1.119 107 A CA 0.012 52.053 52.037 0.008 0.000 0.823 107 A CB 1.309 20.304 19.000 -0.008 0.000 1.097 107 A HN 1.829 nan 8.150 nan 0.000 0.491 108 V N -0.137 119.737 119.914 -0.067 0.000 2.555 108 V HA 0.603 4.723 4.120 -0.001 0.000 0.302 108 V C 0.950 177.001 176.094 -0.072 0.000 1.038 108 V CA 0.223 62.427 62.300 -0.159 0.000 0.887 108 V CB 0.713 32.210 31.823 -0.544 0.000 0.991 108 V HN 1.237 nan 8.190 nan 0.000 0.434 109 T N 0.172 114.714 114.554 -0.019 0.000 3.025 109 T HA -0.086 4.264 4.350 -0.001 0.000 0.270 109 T C 0.446 175.218 174.700 0.119 0.000 1.126 109 T CA 1.287 63.408 62.100 0.035 0.000 1.105 109 T CB -0.449 68.435 68.868 0.028 0.000 0.884 109 T HN 0.886 nan 8.240 nan 0.000 0.522 110 Y N 2.021 122.303 120.300 -0.030 0.000 2.721 110 Y HA 0.393 4.943 4.550 -0.001 0.000 0.328 110 Y C 1.074 177.020 175.900 0.076 0.000 1.003 110 Y CA -2.481 55.639 58.100 0.035 0.000 1.275 110 Y CB 0.667 39.185 38.460 0.097 0.000 1.097 110 Y HN 0.151 nan 8.280 nan 0.000 0.514 111 E N 2.733 122.851 120.200 -0.136 0.000 2.339 111 E HA -0.183 4.167 4.350 -0.001 0.000 0.201 111 E C 1.080 177.380 176.600 -0.500 0.000 1.015 111 E CA 1.329 57.588 56.400 -0.235 0.000 0.841 111 E CB 0.060 29.716 29.700 -0.073 0.000 0.754 111 E HN 0.978 nan 8.360 nan 0.000 0.508 112 G N -0.595 107.417 108.800 -1.313 0.000 3.337 112 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.246 112 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.246 112 G C 0.875 175.440 174.900 -0.558 0.000 1.131 112 G CA -0.423 44.074 45.100 -1.006 0.000 0.773 112 G HN 0.235 nan 8.290 nan 0.000 0.544 113 F N 2.702 122.327 119.950 -0.542 0.000 2.202 113 F HA -0.157 4.370 4.527 -0.000 0.000 0.301 113 F C 2.876 178.634 175.800 -0.071 0.000 1.082 113 F CA 2.102 60.027 58.000 -0.124 0.000 1.313 113 F CB 0.024 38.992 39.000 -0.052 0.000 1.024 113 F HN 0.229 nan 8.300 nan 0.000 0.495 114 T N -3.277 111.321 114.554 0.072 0.000 2.701 114 T HA -0.174 4.176 4.350 -0.001 0.000 0.263 114 T C 1.892 176.576 174.700 -0.026 0.000 1.040 114 T CA 1.834 63.955 62.100 0.036 0.000 1.147 114 T CB -1.173 67.709 68.868 0.024 0.000 0.865 114 T HN 0.243 nan 8.240 nan 0.000 0.426 115 T N 2.011 116.537 114.554 -0.045 0.000 2.777 115 T HA -0.055 4.295 4.350 -0.001 0.000 0.266 115 T C 1.561 176.244 174.700 -0.028 0.000 1.040 115 T CA 1.351 63.431 62.100 -0.033 0.000 1.141 115 T CB -0.497 68.353 68.868 -0.031 0.000 0.868 115 T HN 0.402 nan 8.240 nan 0.000 0.444 116 D N 0.522 120.905 120.400 -0.028 0.000 2.224 116 D HA 0.126 4.765 4.640 -0.001 0.000 0.205 116 D C 0.786 177.042 176.300 -0.072 0.000 0.965 116 D CA 0.143 54.137 54.000 -0.010 0.000 0.852 116 D CB -0.314 40.528 40.800 0.070 0.000 0.947 116 D HN 0.219 nan 8.370 nan 0.000 0.494 117 L N -0.309 120.829 121.223 -0.141 0.000 2.490 117 L HA 0.416 4.755 4.340 -0.001 0.000 0.245 117 L C -0.010 176.812 176.870 -0.080 0.000 1.185 117 L CA -0.035 54.705 54.840 -0.166 0.000 0.813 117 L CB 1.248 43.111 42.059 -0.326 0.000 1.233 117 L HN -0.282 nan 8.230 nan 0.000 0.489 118 S N -0.687 114.979 115.700 -0.058 0.000 2.533 118 S HA 0.450 4.920 4.470 -0.001 0.000 0.271 118 S C -1.318 173.277 174.600 -0.008 0.000 1.143 118 S CA -0.639 57.547 58.200 -0.024 0.000 0.891 118 S CB 1.590 64.780 63.200 -0.016 0.000 1.105 118 S HN 0.361 nan 8.310 nan 0.000 0.468 119 V N 3.103 123.021 119.914 0.006 0.000 2.681 119 V HA 0.266 4.386 4.120 -0.001 0.000 0.306 119 V C 1.643 177.746 176.094 0.015 0.000 1.077 119 V CA 2.250 64.560 62.300 0.017 0.000 1.224 119 V CB 0.182 32.016 31.823 0.019 0.000 0.879 119 V HN 1.409 nan 8.190 nan 0.000 0.494 120 G N 3.633 112.447 108.800 0.023 0.000 2.254 120 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.225 120 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.225 120 G C 0.198 175.109 174.900 0.018 0.000 1.003 120 G CA 0.178 45.290 45.100 0.021 0.000 0.622 120 G HN 0.687 nan 8.290 nan 0.000 0.507 121 N N 0.950 119.656 118.700 0.009 0.000 2.441 121 N HA 0.413 5.152 4.740 -0.001 0.000 0.251 121 N C -0.068 175.449 175.510 0.012 0.000 1.242 121 N CA 0.830 53.878 53.050 -0.003 0.000 0.898 121 N CB 0.477 38.943 38.487 -0.034 0.000 1.100 121 N HN 0.148 nan 8.380 nan 0.000 0.443 122 T N 1.239 115.800 114.554 0.011 0.000 2.882 122 T HA 0.288 4.638 4.350 -0.001 0.000 0.287 122 T C -0.393 174.324 174.700 0.028 0.000 0.992 122 T CA -0.440 61.679 62.100 0.032 0.000 1.076 122 T CB 0.969 69.856 68.868 0.032 0.000 0.961 122 T HN 0.013 nan 8.240 nan 0.000 0.490 123 V N 5.602 125.559 119.914 0.072 0.000 2.370 123 V HA 0.488 4.608 4.120 -0.001 0.000 0.283 123 V C -0.256 175.899 176.094 0.103 0.000 1.023 123 V CA -0.614 61.734 62.300 0.080 0.000 0.857 123 V CB 1.286 33.217 31.823 0.180 0.000 0.985 123 V HN 0.688 nan 8.190 nan 0.000 0.443 124 L N 5.538 126.805 121.223 0.074 0.000 2.334 124 L HA 0.736 5.075 4.340 -0.001 0.000 0.273 124 L C -0.837 176.082 176.870 0.081 0.000 1.013 124 L CA -0.791 54.094 54.840 0.075 0.000 0.816 124 L CB 2.280 44.369 42.059 0.050 0.000 1.278 124 L HN 0.333 nan 8.230 nan 0.000 0.431 125 V N 0.931 120.895 119.914 0.084 0.000 2.656 125 V HA 0.315 4.435 4.120 -0.001 0.000 0.307 125 V C -0.624 175.496 176.094 0.044 0.000 1.051 125 V CA -0.586 61.765 62.300 0.085 0.000 0.893 125 V CB 1.658 33.565 31.823 0.141 0.000 0.999 125 V HN 0.857 nan 8.190 nan 0.000 0.426 126 D N 3.750 124.171 120.400 0.035 0.000 3.133 126 D HA -0.168 4.472 4.640 -0.001 0.000 0.239 126 D C 0.206 176.516 176.300 0.016 0.000 1.136 126 D CA 0.913 54.925 54.000 0.020 0.000 0.898 126 D CB -0.829 39.979 40.800 0.013 0.000 0.959 126 D HN 0.874 nan 8.370 nan 0.000 0.415 127 D N 1.052 121.462 120.400 0.015 0.000 2.740 127 D HA -0.151 4.489 4.640 -0.001 0.000 0.231 127 D C 1.356 177.667 176.300 0.017 0.000 1.194 127 D CA 2.114 56.123 54.000 0.014 0.000 0.673 127 D CB -1.326 39.481 40.800 0.012 0.000 0.995 127 D HN 1.082 nan 8.370 nan 0.000 0.411 128 G N -0.541 108.273 108.800 0.022 0.000 2.175 128 G HA2 -0.406 3.554 3.960 -0.001 0.000 0.265 128 G HA3 -0.406 3.554 3.960 -0.001 0.000 0.265 128 G C 1.097 176.008 174.900 0.018 0.000 0.979 128 G CA 0.747 45.861 45.100 0.023 0.000 0.663 128 G HN 0.519 nan 8.290 nan 0.000 0.533 129 L N -0.189 121.041 121.223 0.013 0.000 2.046 129 L HA 0.311 4.651 4.340 -0.001 0.000 0.208 129 L C 1.391 178.262 176.870 0.001 0.000 1.077 129 L CA 1.821 56.663 54.840 0.004 0.000 0.747 129 L CB 0.049 42.107 42.059 -0.003 0.000 0.896 129 L HN 0.436 nan 8.230 nan 0.000 0.432 130 I N -0.759 119.814 120.570 0.005 0.000 2.509 130 I HA 0.472 4.642 4.170 -0.001 0.000 0.293 130 I C 0.199 176.336 176.117 0.032 0.000 1.020 130 I CA -0.549 60.752 61.300 0.000 0.000 1.088 130 I CB 1.559 39.537 38.000 -0.037 0.000 1.267 130 I HN -0.010 nan 8.210 nan 0.000 0.430 131 G N 5.702 114.523 108.800 0.035 0.000 2.432 131 G HA2 0.861 4.821 3.960 -0.001 0.000 0.331 131 G HA3 0.861 4.821 3.960 -0.001 0.000 0.331 131 G C -0.941 174.006 174.900 0.079 0.000 1.170 131 G CA -0.613 44.524 45.100 0.062 0.000 0.943 131 G HN 0.473 nan 8.290 nan 0.000 0.483 132 M N 0.343 120.016 119.600 0.123 0.000 2.575 132 M HA 0.406 4.886 4.480 -0.001 0.000 0.284 132 M C -0.800 175.582 176.300 0.136 0.000 1.253 132 M CA -0.723 54.666 55.300 0.148 0.000 0.861 132 M CB 3.168 35.921 32.600 0.255 0.000 1.733 132 M HN 0.479 nan 8.290 nan 0.000 0.462 133 E N 1.430 121.701 120.200 0.120 0.000 2.191 133 E HA 0.516 4.866 4.350 -0.001 0.000 0.274 133 E C -1.549 175.119 176.600 0.114 0.000 0.948 133 E CA -0.634 55.823 56.400 0.096 0.000 0.802 133 E CB 1.982 31.722 29.700 0.066 0.000 1.137 133 E HN 0.527 nan 8.360 nan 0.000 0.397 134 V N 4.028 124.000 119.914 0.096 0.000 2.455 134 V HA 0.060 4.180 4.120 -0.001 0.000 0.273 134 V C 1.347 177.483 176.094 0.070 0.000 1.045 134 V CA 0.211 62.570 62.300 0.099 0.000 0.976 134 V CB 0.843 32.712 31.823 0.077 0.000 0.993 134 V HN 0.895 nan 8.190 nan 0.000 0.475 135 T N 1.258 115.856 114.554 0.074 0.000 3.033 135 T HA 0.569 4.918 4.350 -0.001 0.000 0.248 135 T C 0.540 175.267 174.700 0.045 0.000 1.040 135 T CA 0.553 62.685 62.100 0.054 0.000 1.133 135 T CB 0.470 69.370 68.868 0.052 0.000 0.895 135 T HN 1.116 nan 8.240 nan 0.000 0.465 136 A N 0.355 123.207 122.820 0.054 0.000 2.599 136 A HA 0.672 4.992 4.320 -0.001 0.000 0.294 136 A C -1.880 175.736 177.584 0.053 0.000 1.055 136 A CA -0.936 51.127 52.037 0.043 0.000 0.683 136 A CB 0.962 19.980 19.000 0.031 0.000 1.278 136 A HN 0.311 nan 8.150 nan 0.000 0.412 137 I N 2.004 122.599 120.570 0.041 0.000 2.478 137 I HA 0.491 4.660 4.170 -0.001 0.000 0.287 137 I C -0.852 175.284 176.117 0.031 0.000 1.042 137 I CA -0.169 61.158 61.300 0.044 0.000 1.067 137 I CB 1.794 39.814 38.000 0.033 0.000 1.233 137 I HN 0.919 nan 8.210 nan 0.000 0.431 138 E N 5.251 125.470 120.200 0.032 0.000 2.388 138 E HA 0.538 4.888 4.350 -0.001 0.000 0.289 138 E C -0.079 176.532 176.600 0.018 0.000 0.944 138 E CA -0.575 55.837 56.400 0.020 0.000 0.792 138 E CB 2.050 31.758 29.700 0.014 0.000 1.239 138 E HN 0.727 nan 8.360 nan 0.000 0.412 139 G N 4.138 112.945 108.800 0.012 0.000 2.564 139 G HA2 -0.376 3.584 3.960 -0.001 0.000 0.273 139 G HA3 -0.376 3.584 3.960 -0.001 0.000 0.273 139 G C 0.204 175.112 174.900 0.013 0.000 1.242 139 G CA 0.377 45.482 45.100 0.008 0.000 0.951 139 G HN 0.951 nan 8.290 nan 0.000 0.564 140 N N 1.352 120.058 118.700 0.010 0.000 2.509 140 N HA 0.194 4.934 4.740 -0.001 0.000 0.239 140 N C 0.088 175.620 175.510 0.037 0.000 1.215 140 N CA 0.650 53.709 53.050 0.016 0.000 0.882 140 N CB 0.063 38.552 38.487 0.002 0.000 1.189 140 N HN 0.791 nan 8.380 nan 0.000 0.490 141 K N -0.282 120.148 120.400 0.050 0.000 2.422 141 K HA 0.511 4.831 4.320 -0.001 0.000 0.251 141 K C -1.227 175.444 176.600 0.120 0.000 0.933 141 K CA -0.956 55.372 56.287 0.068 0.000 0.798 141 K CB 2.853 35.367 32.500 0.024 0.000 1.238 141 K HN -0.158 nan 8.250 nan 0.000 0.428 142 V N 3.697 123.730 119.914 0.199 0.000 2.487 142 V HA 0.452 4.572 4.120 -0.001 0.000 0.298 142 V C -0.428 175.800 176.094 0.225 0.000 1.028 142 V CA -0.820 61.638 62.300 0.264 0.000 0.860 142 V CB 1.358 33.463 31.823 0.471 0.000 0.991 142 V HN 0.653 nan 8.190 nan 0.000 0.427 143 I N 4.397 125.058 120.570 0.151 0.000 2.406 143 I HA 0.637 4.807 4.170 -0.001 0.000 0.290 143 I C -0.174 176.020 176.117 0.129 0.000 0.999 143 I CA 0.133 61.489 61.300 0.094 0.000 1.124 143 I CB 1.507 39.534 38.000 0.044 0.000 1.289 143 I HN 0.677 nan 8.210 nan 0.000 0.441 144 C N 3.617 123.001 119.300 0.139 0.000 3.235 144 C HA 0.739 5.199 4.460 -0.001 0.000 0.351 144 C C -0.422 174.648 174.990 0.133 0.000 1.520 144 C CA -1.009 58.111 59.018 0.169 0.000 1.474 144 C CB 1.821 29.735 27.740 0.291 0.000 2.019 144 C HN 0.716 nan 8.230 nan 0.000 0.446 145 K N 0.255 120.729 120.400 0.122 0.000 2.413 145 K HA 0.651 4.971 4.320 -0.001 0.000 0.257 145 K C -1.322 175.334 176.600 0.095 0.000 0.946 145 K CA -0.203 56.140 56.287 0.094 0.000 0.823 145 K CB 0.970 33.510 32.500 0.067 0.000 1.109 145 K HN 0.474 nan 8.250 nan 0.000 0.427 146 V N 6.664 126.626 119.914 0.080 0.000 2.521 146 V HA 0.068 4.187 4.120 -0.001 0.000 0.286 146 V C 0.730 176.846 176.094 0.036 0.000 1.034 146 V CA -0.143 62.185 62.300 0.047 0.000 1.045 146 V CB 0.204 32.029 31.823 0.005 0.000 0.974 146 V HN 0.763 nan 8.190 nan 0.000 0.480 147 L N 3.713 124.957 121.223 0.036 0.000 2.653 147 L HA 0.464 4.804 4.340 -0.001 0.000 0.231 147 L C 0.565 177.444 176.870 0.015 0.000 1.153 147 L CA 0.039 54.896 54.840 0.028 0.000 0.933 147 L CB -0.705 41.374 42.059 0.033 0.000 1.175 147 L HN 0.816 nan 8.230 nan 0.000 0.473 148 N N -1.581 117.121 118.700 0.004 0.000 3.171 148 N HA 0.107 4.846 4.740 -0.001 0.000 0.239 148 N C -1.573 173.926 175.510 -0.018 0.000 1.275 148 N CA -0.548 52.500 53.050 -0.003 0.000 0.920 148 N CB 0.622 39.110 38.487 0.002 0.000 1.554 148 N HN -0.125 nan 8.380 nan 0.000 0.504 149 N N -0.683 118.007 118.700 -0.017 0.000 2.492 149 N HA 0.636 5.376 4.740 -0.001 0.000 0.262 149 N C 0.074 175.564 175.510 -0.033 0.000 1.202 149 N CA 1.134 54.168 53.050 -0.026 0.000 0.926 149 N CB 0.876 39.353 38.487 -0.017 0.000 1.078 149 N HN 0.821 nan 8.380 nan 0.000 0.454 150 G N 0.564 109.335 108.800 -0.049 0.000 2.466 150 G HA2 0.203 4.163 3.960 -0.001 0.000 0.291 150 G HA3 0.203 4.163 3.960 -0.001 0.000 0.291 150 G C -1.916 172.945 174.900 -0.064 0.000 1.460 150 G CA -0.737 44.334 45.100 -0.048 0.000 0.791 150 G HN 0.374 nan 8.290 nan 0.000 0.505 151 D N 0.364 120.733 120.400 -0.052 0.000 2.274 151 D HA 0.449 5.089 4.640 -0.001 0.000 0.239 151 D C -0.109 176.154 176.300 -0.062 0.000 1.104 151 D CA -0.193 53.776 54.000 -0.052 0.000 0.840 151 D CB 2.033 42.814 40.800 -0.031 0.000 1.100 151 D HN 0.337 nan 8.370 nan 0.000 0.477 152 L N 2.735 123.907 121.223 -0.086 0.000 2.281 152 L HA 0.574 4.914 4.340 -0.001 0.000 0.285 152 L C 0.527 177.379 176.870 -0.030 0.000 1.074 152 L CA 0.006 54.800 54.840 -0.077 0.000 0.817 152 L CB 0.939 42.922 42.059 -0.127 0.000 1.168 152 L HN 0.347 nan 8.230 nan 0.000 0.434 153 G N 3.960 112.752 108.800 -0.012 0.000 2.532 153 G HA2 0.351 4.311 3.960 -0.001 0.000 0.291 153 G HA3 0.351 4.311 3.960 -0.001 0.000 0.291 153 G C -0.774 174.135 174.900 0.015 0.000 1.349 153 G CA -0.656 44.445 45.100 0.001 0.000 1.038 153 G HN 0.659 nan 8.290 nan 0.000 0.518 154 E N 0.459 120.669 120.200 0.016 0.000 2.301 154 E HA 0.110 4.460 4.350 -0.001 0.000 0.275 154 E C -0.073 176.540 176.600 0.021 0.000 1.030 154 E CA -0.339 56.074 56.400 0.022 0.000 0.852 154 E CB 0.978 30.687 29.700 0.016 0.000 1.060 154 E HN 0.660 nan 8.360 nan 0.000 0.401 155 N N 2.663 121.379 118.700 0.026 0.000 2.568 155 N HA -0.148 4.592 4.740 -0.001 0.000 0.277 155 N C -1.357 174.164 175.510 0.019 0.000 1.200 155 N CA 0.391 53.453 53.050 0.020 0.000 0.702 155 N CB -0.167 38.329 38.487 0.014 0.000 0.889 155 N HN 0.292 nan 8.380 nan 0.000 0.546 156 K N 0.914 121.330 120.400 0.026 0.000 2.426 156 K HA 0.424 4.744 4.320 -0.001 0.000 0.251 156 K C 0.353 176.963 176.600 0.016 0.000 0.941 156 K CA -0.374 55.927 56.287 0.023 0.000 0.808 156 K CB 1.634 34.155 32.500 0.035 0.000 1.265 156 K HN 0.377 nan 8.250 nan 0.000 0.432 157 G N 0.647 109.449 108.800 0.004 0.000 2.380 157 G HA2 0.328 4.288 3.960 -0.001 0.000 0.242 157 G HA3 0.328 4.288 3.960 -0.001 0.000 0.242 157 G C -0.480 174.421 174.900 0.002 0.000 1.298 157 G CA -0.224 44.868 45.100 -0.012 0.000 0.878 157 G HN 0.197 nan 8.290 nan 0.000 0.542 158 V N 3.170 123.078 119.914 -0.010 0.000 2.495 158 V HA 0.322 4.441 4.120 -0.001 0.000 0.298 158 V C -0.401 175.698 176.094 0.008 0.000 1.031 158 V CA -1.017 61.292 62.300 0.015 0.000 0.871 158 V CB 1.871 33.707 31.823 0.022 0.000 0.988 158 V HN 0.761 nan 8.190 nan 0.000 0.432 159 N N 3.755 122.467 118.700 0.021 0.000 2.417 159 N HA 0.695 5.435 4.740 -0.001 0.000 0.300 159 N C -0.813 174.710 175.510 0.022 0.000 1.102 159 N CA -0.584 52.478 53.050 0.020 0.000 0.886 159 N CB 1.880 40.387 38.487 0.034 0.000 1.203 159 N HN 0.551 nan 8.380 nan 0.000 0.496 160 L N 1.641 122.878 121.223 0.024 0.000 2.784 160 L HA 0.428 4.768 4.340 -0.001 0.000 0.241 160 L C -2.334 174.549 176.870 0.022 0.000 1.352 160 L CA -1.747 53.088 54.840 -0.007 0.000 0.911 160 L CB 0.538 42.564 42.059 -0.055 0.000 1.227 160 L HN 0.241 nan 8.230 nan 0.000 0.501 161 P HA -0.098 nan 4.420 nan 0.000 0.267 161 P C 1.281 178.593 177.300 0.021 0.000 1.175 161 P CA 1.334 64.455 63.100 0.034 0.000 0.763 161 P CB 0.691 32.409 31.700 0.030 0.000 0.795 162 G N 0.868 109.681 108.800 0.021 0.000 2.366 162 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.263 162 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.263 162 G C 0.257 175.162 174.900 0.009 0.000 0.986 162 G CA 0.614 45.721 45.100 0.011 0.000 0.632 162 G HN 0.585 nan 8.290 nan 0.000 0.555 163 V N 1.429 121.350 119.914 0.011 0.000 2.614 163 V HA 0.479 4.599 4.120 -0.001 0.000 0.291 163 V C 0.828 176.937 176.094 0.025 0.000 1.049 163 V CA 0.133 62.437 62.300 0.006 0.000 1.038 163 V CB 1.670 33.480 31.823 -0.021 0.000 0.980 163 V HN 0.318 nan 8.190 nan 0.000 0.481 164 S N 5.091 120.802 115.700 0.019 0.000 2.465 164 S HA 0.532 5.002 4.470 -0.001 0.000 0.279 164 S C -0.294 174.341 174.600 0.057 0.000 1.201 164 S CA -0.323 57.894 58.200 0.029 0.000 1.053 164 S CB 0.373 63.581 63.200 0.014 0.000 0.953 164 S HN 0.428 nan 8.310 nan 0.000 0.488 165 I N 2.362 122.986 120.570 0.091 0.000 2.392 165 I HA 0.347 4.517 4.170 -0.001 0.000 0.295 165 I C 1.001 177.174 176.117 0.094 0.000 0.985 165 I CA -0.349 61.010 61.300 0.099 0.000 1.221 165 I CB 1.146 39.188 38.000 0.070 0.000 1.366 165 I HN 0.718 nan 8.210 nan 0.000 0.467 166 A N 6.468 129.376 122.820 0.148 0.000 2.261 166 A HA 0.198 4.518 4.320 -0.001 0.000 0.208 166 A C 0.897 178.557 177.584 0.127 0.000 1.223 166 A CA 0.069 52.201 52.037 0.158 0.000 0.833 166 A CB -0.699 18.437 19.000 0.227 0.000 0.830 166 A HN 0.632 nan 8.150 nan 0.000 0.483 167 L N 1.038 122.253 121.223 -0.013 0.000 2.483 167 L HA 0.168 4.508 4.340 -0.001 0.000 0.275 167 L C -1.710 175.173 176.870 0.021 0.000 1.220 167 L CA -1.404 53.392 54.840 -0.074 0.000 0.833 167 L CB 0.673 42.599 42.059 -0.223 0.000 1.102 167 L HN 0.196 nan 8.230 nan 0.000 0.490 168 P HA 0.151 nan 4.420 nan 0.000 0.279 168 P C -0.236 177.081 177.300 0.029 0.000 1.276 168 P CA -0.464 62.658 63.100 0.036 0.000 0.801 168 P CB 0.818 32.543 31.700 0.042 0.000 1.127 169 A N 0.739 123.572 122.820 0.022 0.000 1.929 169 A HA 0.018 4.338 4.320 -0.001 0.000 0.216 169 A C 1.179 178.756 177.584 -0.011 0.000 1.176 169 A CA 1.069 53.115 52.037 0.015 0.000 0.628 169 A CB -0.815 18.187 19.000 0.004 0.000 0.816 169 A HN 0.494 nan 8.150 nan 0.000 0.444 170 L N 0.703 121.898 121.223 -0.046 0.000 2.276 170 L HA 0.527 4.867 4.340 -0.001 0.000 0.286 170 L C 0.626 177.464 176.870 -0.053 0.000 1.024 170 L CA -0.916 53.868 54.840 -0.093 0.000 0.826 170 L CB 1.271 43.188 42.059 -0.238 0.000 1.211 170 L HN 0.394 nan 8.230 nan 0.000 0.422 171 A N 3.187 125.984 122.820 -0.039 0.000 2.532 171 A HA -0.035 4.284 4.320 -0.001 0.000 0.248 171 A C 1.202 178.776 177.584 -0.016 0.000 1.118 171 A CA 0.133 52.155 52.037 -0.026 0.000 0.805 171 A CB 0.249 19.232 19.000 -0.028 0.000 1.068 171 A HN 0.788 nan 8.150 nan 0.000 0.518 172 E N 0.027 120.229 120.200 0.004 0.000 2.047 172 E HA -0.137 4.213 4.350 -0.001 0.000 0.191 172 E C 1.898 178.513 176.600 0.025 0.000 0.987 172 E CA 1.448 57.859 56.400 0.020 0.000 0.799 172 E CB -0.237 29.482 29.700 0.031 0.000 0.752 172 E HN 0.678 nan 8.360 nan 0.000 0.449 173 K N 0.691 121.106 120.400 0.026 0.000 2.147 173 K HA -0.162 4.158 4.320 -0.001 0.000 0.205 173 K C 1.491 178.117 176.600 0.044 0.000 1.049 173 K CA 1.187 57.503 56.287 0.048 0.000 0.936 173 K CB 0.003 32.525 32.500 0.037 0.000 0.722 173 K HN -0.034 nan 8.250 nan 0.000 0.446 174 D N 1.122 121.524 120.400 0.004 0.000 2.149 174 D HA -0.187 4.453 4.640 -0.001 0.000 0.194 174 D C 1.724 177.992 176.300 -0.054 0.000 1.001 174 D CA 1.477 55.457 54.000 -0.033 0.000 0.849 174 D CB 0.053 40.818 40.800 -0.059 0.000 0.939 174 D HN 0.250 nan 8.370 nan 0.000 0.449 175 K N -0.030 120.345 120.400 -0.041 0.000 2.057 175 K HA -0.104 4.215 4.320 -0.001 0.000 0.206 175 K C 2.295 178.884 176.600 -0.018 0.000 1.050 175 K CA 0.950 57.218 56.287 -0.033 0.000 0.935 175 K CB -0.045 32.491 32.500 0.060 0.000 0.715 175 K HN 0.251 nan 8.250 nan 0.000 0.439 176 Q N 0.662 120.473 119.800 0.019 0.000 2.167 176 Q HA -0.130 4.209 4.340 -0.001 0.000 0.202 176 Q C 1.308 177.317 176.000 0.014 0.000 0.970 176 Q CA 1.151 56.965 55.803 0.018 0.000 0.855 176 Q CB 0.006 28.809 28.738 0.108 0.000 0.911 176 Q HN 0.263 nan 8.270 nan 0.000 0.438 177 D N 1.008 121.442 120.400 0.058 0.000 2.144 177 D HA -0.102 4.538 4.640 -0.001 0.000 0.199 177 D C 1.863 178.061 176.300 -0.171 0.000 0.984 177 D CA 0.931 54.889 54.000 -0.069 0.000 0.834 177 D CB -0.022 40.637 40.800 -0.235 0.000 0.955 177 D HN 0.252 nan 8.370 nan 0.000 0.465 178 L N 0.235 121.381 121.223 -0.128 0.000 2.156 178 L HA -0.013 4.327 4.340 -0.001 0.000 0.208 178 L C 2.437 179.244 176.870 -0.105 0.000 1.095 178 L CA 0.413 55.187 54.840 -0.110 0.000 0.770 178 L CB -0.233 41.780 42.059 -0.076 0.000 0.914 178 L HN -0.010 nan 8.230 nan 0.000 0.439 179 I N -0.394 120.086 120.570 -0.149 0.000 2.226 179 I HA -0.328 3.842 4.170 -0.001 0.000 0.245 179 I C 2.562 178.611 176.117 -0.113 0.000 1.100 179 I CA 1.433 62.609 61.300 -0.207 0.000 1.374 179 I CB -0.321 37.502 38.000 -0.294 0.000 1.057 179 I HN 0.152 nan 8.210 nan 0.000 0.413 180 F N 1.984 121.769 119.950 -0.275 0.000 2.091 180 F HA -0.215 4.312 4.527 -0.000 0.000 0.299 180 F C 2.288 177.994 175.800 -0.156 0.000 1.103 180 F CA 1.854 59.692 58.000 -0.270 0.000 1.228 180 F CB -0.904 37.878 39.000 -0.363 0.000 0.984 180 F HN 0.007 nan 8.300 nan 0.000 0.477 181 G N -0.602 108.141 108.800 -0.094 0.000 2.418 181 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.217 181 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.217 181 G C 1.711 176.497 174.900 -0.191 0.000 1.158 181 G CA 1.096 46.091 45.100 -0.175 0.000 0.771 181 G HN 0.542 nan 8.290 nan 0.000 0.545 182 C N 0.539 119.762 119.300 -0.129 0.000 2.432 182 C HA 0.010 4.470 4.460 -0.001 0.000 0.277 182 C C 2.798 177.708 174.990 -0.134 0.000 1.249 182 C CA 1.083 60.047 59.018 -0.091 0.000 1.725 182 C CB -0.906 26.821 27.740 -0.021 0.000 2.028 182 C HN 0.598 nan 8.230 nan 0.000 0.477 183 E N 0.342 120.436 120.200 -0.176 0.000 2.077 183 E HA -0.213 4.136 4.350 -0.001 0.000 0.193 183 E C 2.286 178.747 176.600 -0.230 0.000 0.989 183 E CA 0.998 57.293 56.400 -0.175 0.000 0.800 183 E CB -0.199 29.398 29.700 -0.172 0.000 0.746 183 E HN 0.627 nan 8.360 nan 0.000 0.452 184 Q N -0.695 118.875 119.800 -0.382 0.000 2.311 184 Q HA 0.002 4.341 4.340 -0.001 0.000 0.203 184 Q C 1.258 177.142 176.000 -0.194 0.000 0.954 184 Q CA 1.028 56.632 55.803 -0.332 0.000 0.885 184 Q CB 0.613 29.026 28.738 -0.542 0.000 0.963 184 Q HN 0.440 nan 8.270 nan 0.000 0.471 185 G N 1.496 110.196 108.800 -0.167 0.000 2.171 185 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.238 185 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.238 185 G C 0.400 175.244 174.900 -0.092 0.000 1.039 185 G CA 0.248 45.285 45.100 -0.105 0.000 0.759 185 G HN 0.342 nan 8.290 nan 0.000 0.501 186 V N -2.650 117.206 119.914 -0.098 0.000 3.332 186 V HA 0.320 4.440 4.120 -0.001 0.000 0.305 186 V C 1.212 177.254 176.094 -0.086 0.000 1.114 186 V CA 0.964 63.228 62.300 -0.061 0.000 1.194 186 V CB 0.784 32.594 31.823 -0.021 0.000 1.027 186 V HN 0.205 nan 8.190 nan 0.000 0.492 187 D N 0.692 121.034 120.400 -0.097 0.000 2.327 187 D HA 0.210 4.850 4.640 -0.001 0.000 0.205 187 D C -0.071 175.873 176.300 -0.595 0.000 0.989 187 D CA 1.106 54.917 54.000 -0.316 0.000 0.873 187 D CB 0.325 40.950 40.800 -0.292 0.000 0.955 187 D HN 0.565 nan 8.370 nan 0.000 0.515 188 F N -0.171 119.782 119.950 0.004 0.000 2.631 188 F HA 0.350 4.877 4.527 -0.001 0.000 0.308 188 F C -0.455 175.359 175.800 0.024 0.000 1.097 188 F CA -1.118 56.904 58.000 0.037 0.000 0.952 188 F CB 2.054 41.088 39.000 0.056 0.000 1.307 188 F HN -0.448 nan 8.300 nan 0.000 0.450 189 V N 2.013 122.067 119.914 0.234 0.000 2.448 189 V HA 0.776 4.895 4.120 -0.001 0.000 0.295 189 V C -0.583 175.585 176.094 0.124 0.000 1.025 189 V CA -0.792 61.583 62.300 0.125 0.000 0.859 189 V CB 1.516 33.377 31.823 0.062 0.000 0.988 189 V HN 0.864 nan 8.190 nan 0.000 0.431 190 A N 4.409 127.281 122.820 0.087 0.000 2.258 190 A HA 0.863 5.182 4.320 -0.001 0.000 0.316 190 A C 0.174 177.787 177.584 0.049 0.000 1.279 190 A CA -0.296 51.780 52.037 0.065 0.000 0.876 190 A CB 0.817 19.847 19.000 0.049 0.000 1.170 190 A HN 1.196 nan 8.150 nan 0.000 0.520 191 A N 2.805 125.651 122.820 0.044 0.000 2.290 191 A HA 0.668 4.987 4.320 -0.001 0.000 0.310 191 A C 0.565 178.178 177.584 0.049 0.000 1.202 191 A CA -0.345 51.712 52.037 0.033 0.000 0.837 191 A CB 0.271 19.285 19.000 0.023 0.000 1.139 191 A HN 0.839 nan 8.150 nan 0.000 0.509 192 S N 0.828 116.565 115.700 0.061 0.000 2.632 192 S HA 0.451 4.920 4.470 -0.001 0.000 0.267 192 S C 0.024 174.735 174.600 0.184 0.000 1.276 192 S CA -0.248 58.016 58.200 0.106 0.000 0.998 192 S CB -0.024 63.234 63.200 0.097 0.000 0.953 192 S HN 1.099 nan 8.310 nan 0.000 0.547 193 F N 1.000 120.946 119.950 -0.007 0.000 2.694 193 F HA -0.161 4.366 4.527 -0.000 0.000 0.215 193 F C -0.520 175.274 175.800 -0.009 0.000 1.032 193 F CA -0.116 57.878 58.000 -0.011 0.000 0.871 193 F CB -0.999 37.985 39.000 -0.027 0.000 0.776 193 F HN 0.316 nan 8.300 nan 0.000 0.850 194 I N 3.086 123.592 120.570 -0.107 0.000 2.428 194 I HA 0.151 4.320 4.170 -0.001 0.000 0.289 194 I C 1.291 177.261 176.117 -0.246 0.000 1.019 194 I CA 0.057 61.286 61.300 -0.119 0.000 1.351 194 I CB 1.497 39.467 38.000 -0.050 0.000 1.412 194 I HN 0.384 nan 8.210 nan 0.000 0.513 195 R N 3.995 124.361 120.500 -0.224 0.000 2.469 195 R HA 0.204 4.544 4.340 -0.001 0.000 0.250 195 R C -0.471 175.762 176.300 -0.111 0.000 0.909 195 R CA 0.116 56.085 56.100 -0.219 0.000 1.050 195 R CB 0.698 30.845 30.300 -0.254 0.000 1.256 195 R HN 0.604 nan 8.270 nan 0.000 0.550 196 K N -0.956 119.396 120.400 -0.081 0.000 2.607 196 K HA 0.229 4.549 4.320 -0.001 0.000 0.287 196 K C -0.271 176.299 176.600 -0.048 0.000 0.996 196 K CA -0.976 55.278 56.287 -0.055 0.000 0.876 196 K CB 1.301 33.776 32.500 -0.042 0.000 1.496 196 K HN -0.161 nan 8.250 nan 0.000 0.415 197 R N 0.521 120.993 120.500 -0.047 0.000 2.152 197 R HA -0.157 4.182 4.340 -0.001 0.000 0.232 197 R C 1.633 177.916 176.300 -0.029 0.000 1.117 197 R CA 2.420 58.492 56.100 -0.047 0.000 0.981 197 R CB -0.346 29.926 30.300 -0.048 0.000 0.870 197 R HN 0.718 nan 8.270 nan 0.000 0.451 198 S N 0.619 116.307 115.700 -0.021 0.000 2.383 198 S HA -0.194 4.276 4.470 -0.001 0.000 0.229 198 S C 1.304 175.903 174.600 -0.001 0.000 1.030 198 S CA 1.512 59.708 58.200 -0.007 0.000 1.002 198 S CB -0.318 62.881 63.200 -0.002 0.000 0.829 198 S HN 0.447 nan 8.310 nan 0.000 0.467 199 D N 1.459 121.852 120.400 -0.011 0.000 2.097 199 D HA -0.061 4.578 4.640 -0.001 0.000 0.195 199 D C 2.243 178.540 176.300 -0.005 0.000 0.989 199 D CA 1.416 55.412 54.000 -0.008 0.000 0.827 199 D CB -0.771 40.015 40.800 -0.023 0.000 0.966 199 D HN 0.393 nan 8.370 nan 0.000 0.456 200 V N 2.003 121.909 119.914 -0.013 0.000 2.252 200 V HA -0.262 3.857 4.120 -0.001 0.000 0.249 200 V C 2.626 178.726 176.094 0.010 0.000 1.056 200 V CA 1.319 63.615 62.300 -0.007 0.000 1.022 200 V CB -0.535 31.274 31.823 -0.023 0.000 0.641 200 V HN 0.220 nan 8.190 nan 0.000 0.445 201 I N -0.087 120.489 120.570 0.009 0.000 2.248 201 I HA -0.272 3.897 4.170 -0.001 0.000 0.248 201 I C 2.594 178.741 176.117 0.050 0.000 1.107 201 I CA 1.785 63.098 61.300 0.021 0.000 1.373 201 I CB -0.673 37.334 38.000 0.011 0.000 1.055 201 I HN 0.492 nan 8.210 nan 0.000 0.418 202 E N 0.951 121.186 120.200 0.057 0.000 2.106 202 E HA -0.169 4.181 4.350 -0.001 0.000 0.192 202 E C 2.293 178.981 176.600 0.148 0.000 0.984 202 E CA 1.131 57.598 56.400 0.112 0.000 0.806 202 E CB -0.016 29.732 29.700 0.081 0.000 0.750 202 E HN 0.535 nan 8.360 nan 0.000 0.458 203 I N 0.503 121.109 120.570 0.061 0.000 2.546 203 I HA -0.182 3.988 4.170 -0.001 0.000 0.255 203 I C 2.564 178.736 176.117 0.092 0.000 1.163 203 I CA 0.648 61.974 61.300 0.045 0.000 1.457 203 I CB -0.120 37.882 38.000 0.003 0.000 1.092 203 I HN -0.022 nan 8.210 nan 0.000 0.434 204 R N 1.084 121.630 120.500 0.076 0.000 2.148 204 R HA -0.112 4.227 4.340 -0.001 0.000 0.223 204 R C 2.009 178.357 176.300 0.080 0.000 1.088 204 R CA 1.066 57.206 56.100 0.066 0.000 0.985 204 R CB 0.089 30.412 30.300 0.038 0.000 0.880 204 R HN 0.354 nan 8.270 nan 0.000 0.451 205 E N -1.184 119.079 120.200 0.106 0.000 2.112 205 E HA -0.135 4.215 4.350 -0.001 0.000 0.190 205 E C 1.671 178.305 176.600 0.057 0.000 0.979 205 E CA 0.668 57.110 56.400 0.070 0.000 0.814 205 E CB -0.001 29.733 29.700 0.057 0.000 0.762 205 E HN 0.511 nan 8.360 nan 0.000 0.460 206 H N 0.817 119.918 119.070 0.051 0.000 2.267 206 H HA -0.135 4.420 4.556 -0.001 0.000 0.297 206 H C 2.451 177.854 175.328 0.124 0.000 1.080 206 H CA 1.341 57.450 56.048 0.101 0.000 1.278 206 H CB -0.147 29.653 29.762 0.062 0.000 1.365 206 H HN 0.128 nan 8.280 nan 0.000 0.489 207 L N 0.614 121.957 121.223 0.199 0.000 2.013 207 L HA -0.228 4.111 4.340 -0.001 0.000 0.212 207 L C 2.683 179.607 176.870 0.090 0.000 1.073 207 L CA 1.561 56.477 54.840 0.126 0.000 0.753 207 L CB -0.411 41.696 42.059 0.079 0.000 0.890 207 L HN 0.176 nan 8.230 nan 0.000 0.432 208 K N 0.263 120.697 120.400 0.057 0.000 2.283 208 K HA -0.125 4.194 4.320 -0.001 0.000 0.202 208 K C 2.027 178.608 176.600 -0.032 0.000 1.048 208 K CA 0.978 57.271 56.287 0.009 0.000 0.948 208 K CB -0.018 32.484 32.500 0.004 0.000 0.742 208 K HN 0.293 nan 8.250 nan 0.000 0.458 209 A N 0.104 122.894 122.820 -0.051 0.000 2.067 209 A HA -0.119 4.201 4.320 -0.001 0.000 0.219 209 A C 0.900 178.228 177.584 -0.427 0.000 1.158 209 A CA 1.040 52.952 52.037 -0.207 0.000 0.661 209 A CB -0.260 18.616 19.000 -0.206 0.000 0.801 209 A HN 0.390 nan 8.150 nan 0.000 0.452 210 H N -1.956 117.099 119.070 -0.025 0.000 2.510 210 H HA 0.307 4.863 4.556 -0.000 0.000 0.266 210 H C 1.370 176.680 175.328 -0.029 0.000 1.146 210 H CA 0.338 56.371 56.048 -0.025 0.000 0.993 210 H CB 0.150 29.902 29.762 -0.015 0.000 1.727 210 H HN 0.569 nan 8.280 nan 0.000 0.590 211 G N 0.797 109.598 108.800 0.002 0.000 2.184 211 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.264 211 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.264 211 G C 1.285 176.185 174.900 0.001 0.000 0.975 211 G CA 0.324 45.420 45.100 -0.006 0.000 0.642 211 G HN 0.580 nan 8.290 nan 0.000 0.536 212 G N 0.202 109.016 108.800 0.024 0.000 3.383 212 G HA2 0.452 4.412 3.960 -0.001 0.000 0.251 212 G HA3 0.452 4.412 3.960 -0.001 0.000 0.251 212 G C 0.978 175.881 174.900 0.005 0.000 1.203 212 G CA 0.800 45.905 45.100 0.008 0.000 0.852 212 G HN 0.714 nan 8.290 nan 0.000 0.531 213 E N 0.199 120.399 120.200 0.001 0.000 2.331 213 E HA -0.159 4.191 4.350 -0.001 0.000 0.199 213 E C 1.277 177.879 176.600 0.003 0.000 1.008 213 E CA 1.063 57.465 56.400 0.003 0.000 0.843 213 E CB -0.158 29.538 29.700 -0.007 0.000 0.761 213 E HN 0.450 nan 8.360 nan 0.000 0.507 214 N N 0.213 118.901 118.700 -0.019 0.000 2.230 214 N HA 0.190 4.930 4.740 -0.001 0.000 0.202 214 N C -0.503 174.961 175.510 -0.078 0.000 1.119 214 N CA -0.119 52.909 53.050 -0.038 0.000 0.851 214 N CB 0.476 38.919 38.487 -0.072 0.000 0.990 214 N HN 0.097 nan 8.380 nan 0.000 0.497 215 I N 1.528 122.073 120.570 -0.043 0.000 2.371 215 I HA 0.068 4.237 4.170 -0.001 0.000 0.290 215 I C -0.002 176.147 176.117 0.052 0.000 1.028 215 I CA -0.554 60.703 61.300 -0.072 0.000 1.345 215 I CB 0.395 38.374 38.000 -0.035 0.000 1.407 215 I HN 0.108 nan 8.210 nan 0.000 0.501 216 H N 6.615 125.612 119.070 -0.122 0.000 2.803 216 H HA 0.379 4.934 4.556 -0.001 0.000 0.330 216 H C -0.174 175.267 175.328 0.189 0.000 1.057 216 H CA -0.089 55.984 56.048 0.042 0.000 1.458 216 H CB 0.665 30.529 29.762 0.170 0.000 1.470 216 H HN 0.388 nan 8.280 nan 0.000 0.560 217 I N 4.908 125.626 120.570 0.247 0.000 2.339 217 I HA 0.132 4.301 4.170 -0.001 0.000 0.290 217 I C -0.279 175.917 176.117 0.131 0.000 0.994 217 I CA -0.540 60.855 61.300 0.159 0.000 1.191 217 I CB 1.184 39.232 38.000 0.080 0.000 1.343 217 I HN 0.290 nan 8.210 nan 0.000 0.458 218 I N 5.305 125.951 120.570 0.127 0.000 2.330 218 I HA 0.229 4.399 4.170 -0.001 0.000 0.286 218 I C 0.197 176.342 176.117 0.048 0.000 1.025 218 I CA -0.254 61.087 61.300 0.068 0.000 1.197 218 I CB 0.828 38.845 38.000 0.028 0.000 1.358 218 I HN 0.449 nan 8.210 nan 0.000 0.467 219 S N 6.771 122.493 115.700 0.036 0.000 2.505 219 S HA 0.254 4.723 4.470 -0.001 0.000 0.276 219 S C 0.313 174.943 174.600 0.050 0.000 1.274 219 S CA -0.699 57.521 58.200 0.033 0.000 1.053 219 S CB 0.607 63.816 63.200 0.014 0.000 0.919 219 S HN 0.370 nan 8.310 nan 0.000 0.490 220 K N 3.024 123.452 120.400 0.046 0.000 2.284 220 K HA 0.274 4.594 4.320 -0.001 0.000 0.287 220 K C -0.572 176.055 176.600 0.045 0.000 1.081 220 K CA -0.475 55.843 56.287 0.052 0.000 0.910 220 K CB 0.396 32.933 32.500 0.061 0.000 1.088 220 K HN 0.421 nan 8.250 nan 0.000 0.478 221 I N 3.327 123.929 120.570 0.053 0.000 2.337 221 I HA 0.055 4.225 4.170 -0.001 0.000 0.291 221 I C 0.816 176.946 176.117 0.022 0.000 1.046 221 I CA 0.385 61.705 61.300 0.034 0.000 1.324 221 I CB 0.599 38.632 38.000 0.056 0.000 1.409 221 I HN 0.763 nan 8.210 nan 0.000 0.494 222 E N 3.835 124.041 120.200 0.010 0.000 2.665 222 E HA 0.066 4.416 4.350 -0.001 0.000 0.225 222 E C -0.160 176.483 176.600 0.073 0.000 0.922 222 E CA -0.110 56.334 56.400 0.073 0.000 1.242 222 E CB 0.783 30.604 29.700 0.202 0.000 1.197 222 E HN 0.788 nan 8.360 nan 0.000 0.581 223 N N -0.781 117.908 118.700 -0.018 0.000 3.243 223 N HA -0.009 4.731 4.740 -0.001 0.000 0.280 223 N C 0.456 175.944 175.510 -0.038 0.000 1.545 223 N CA -0.424 52.627 53.050 0.001 0.000 0.854 223 N CB 0.875 39.376 38.487 0.023 0.000 1.612 223 N HN -0.241 nan 8.380 nan 0.000 0.577 224 Q N 0.234 120.026 119.800 -0.015 0.000 2.124 224 Q HA -0.074 4.265 4.340 -0.001 0.000 0.202 224 Q C 1.498 177.480 176.000 -0.030 0.000 0.977 224 Q CA 2.112 57.907 55.803 -0.014 0.000 0.850 224 Q CB -0.195 28.543 28.738 0.001 0.000 0.901 224 Q HN 0.762 nan 8.270 nan 0.000 0.429 225 E N -1.495 118.669 120.200 -0.059 0.000 2.047 225 E HA -0.136 4.214 4.350 -0.001 0.000 0.191 225 E C 1.796 178.359 176.600 -0.062 0.000 0.987 225 E CA 1.045 57.407 56.400 -0.063 0.000 0.799 225 E CB -0.487 29.152 29.700 -0.103 0.000 0.752 225 E HN 0.528 nan 8.360 nan 0.000 0.449 226 G N 1.389 110.123 108.800 -0.110 0.000 2.446 226 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.217 226 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.217 226 G C 1.492 176.410 174.900 0.031 0.000 1.168 226 G CA 0.859 45.919 45.100 -0.067 0.000 0.771 226 G HN 0.269 nan 8.290 nan 0.000 0.551 227 L N 1.431 122.661 121.223 0.012 0.000 2.012 227 L HA -0.082 4.258 4.340 -0.001 0.000 0.210 227 L C 2.413 179.326 176.870 0.073 0.000 1.073 227 L CA 1.835 56.696 54.840 0.035 0.000 0.748 227 L CB -0.812 41.242 42.059 -0.008 0.000 0.891 227 L HN 0.122 nan 8.230 nan 0.000 0.431 228 N N 0.184 118.905 118.700 0.036 0.000 2.069 228 N HA -0.181 4.559 4.740 -0.001 0.000 0.191 228 N C 1.261 176.805 175.510 0.057 0.000 1.031 228 N CA 1.553 54.626 53.050 0.037 0.000 0.852 228 N CB -0.588 37.906 38.487 0.011 0.000 1.018 228 N HN 0.431 nan 8.380 nan 0.000 0.423 229 N N 0.450 119.177 118.700 0.044 0.000 2.370 229 N HA -0.014 4.725 4.740 -0.001 0.000 0.198 229 N C 1.107 176.637 175.510 0.033 0.000 1.156 229 N CA -0.213 52.851 53.050 0.023 0.000 0.839 229 N CB -0.317 38.161 38.487 -0.015 0.000 0.989 229 N HN 0.145 nan 8.380 nan 0.000 0.468 230 F N 2.549 122.480 119.950 -0.033 0.000 2.063 230 F HA -0.319 4.208 4.527 -0.001 0.000 0.297 230 F C 1.603 177.390 175.800 -0.023 0.000 1.099 230 F CA 1.874 59.858 58.000 -0.027 0.000 1.220 230 F CB -0.143 38.845 39.000 -0.019 0.000 0.972 230 F HN 0.024 nan 8.300 nan 0.000 0.487 231 D N -0.156 120.167 120.400 -0.128 0.000 2.117 231 D HA -0.214 4.426 4.640 -0.001 0.000 0.197 231 D C 2.254 178.411 176.300 -0.239 0.000 0.987 231 D CA 1.723 55.587 54.000 -0.226 0.000 0.829 231 D CB -0.653 40.116 40.800 -0.052 0.000 0.961 231 D HN 0.708 nan 8.370 nan 0.000 0.460 232 E N 0.645 120.757 120.200 -0.146 0.000 2.152 232 E HA -0.125 4.225 4.350 -0.001 0.000 0.192 232 E C 2.196 178.694 176.600 -0.171 0.000 0.983 232 E CA 0.522 56.844 56.400 -0.130 0.000 0.818 232 E CB -0.386 29.269 29.700 -0.076 0.000 0.758 232 E HN 0.250 nan 8.360 nan 0.000 0.467 233 I N 0.998 121.445 120.570 -0.207 0.000 2.127 233 I HA -0.272 3.898 4.170 -0.001 0.000 0.241 233 I C 2.620 178.583 176.117 -0.256 0.000 1.075 233 I CA 0.893 62.076 61.300 -0.195 0.000 1.334 233 I CB -0.327 37.580 38.000 -0.155 0.000 1.040 233 I HN 0.184 nan 8.210 nan 0.000 0.405 234 L N 0.880 121.811 121.223 -0.485 0.000 2.051 234 L HA -0.287 4.052 4.340 -0.001 0.000 0.214 234 L C 2.496 179.213 176.870 -0.254 0.000 1.076 234 L CA 2.038 56.595 54.840 -0.472 0.000 0.758 234 L CB -0.836 40.749 42.059 -0.790 0.000 0.890 234 L HN 0.306 nan 8.230 nan 0.000 0.433 235 E N -0.311 119.759 120.200 -0.217 0.000 2.077 235 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 235 E C 1.964 178.500 176.600 -0.106 0.000 0.989 235 E CA 1.387 57.706 56.400 -0.136 0.000 0.800 235 E CB -0.077 29.558 29.700 -0.108 0.000 0.746 235 E HN 0.617 nan 8.360 nan 0.000 0.452 236 A N 0.509 123.266 122.820 -0.105 0.000 2.016 236 A HA 0.049 4.369 4.320 -0.001 0.000 0.217 236 A C 1.546 179.087 177.584 -0.072 0.000 1.162 236 A CA 0.526 52.518 52.037 -0.074 0.000 0.662 236 A CB 0.032 18.995 19.000 -0.061 0.000 0.812 236 A HN 0.209 nan 8.150 nan 0.000 0.450 237 S N -0.111 115.538 115.700 -0.085 0.000 2.713 237 S HA 0.283 4.753 4.470 -0.001 0.000 0.277 237 S C -0.005 174.548 174.600 -0.079 0.000 1.168 237 S CA -0.464 57.700 58.200 -0.060 0.000 0.994 237 S CB 0.650 63.821 63.200 -0.049 0.000 1.054 237 S HN 0.402 nan 8.310 nan 0.000 0.555 238 D N 0.330 120.684 120.400 -0.077 0.000 2.349 238 D HA 0.308 4.948 4.640 -0.001 0.000 0.214 238 D C 0.670 176.925 176.300 -0.075 0.000 1.063 238 D CA 0.373 54.272 54.000 -0.167 0.000 0.847 238 D CB 0.543 41.121 40.800 -0.370 0.000 0.933 238 D HN 0.641 nan 8.370 nan 0.000 0.513 239 G N 0.267 109.054 108.800 -0.022 0.000 2.316 239 G HA2 0.341 4.300 3.960 -0.001 0.000 0.296 239 G HA3 0.341 4.300 3.960 -0.001 0.000 0.296 239 G C -1.822 173.090 174.900 0.021 0.000 1.399 239 G CA -0.717 44.385 45.100 0.002 0.000 0.833 239 G HN -0.060 nan 8.290 nan 0.000 0.565 240 I N 0.402 120.996 120.570 0.041 0.000 2.828 240 I HA 0.602 4.772 4.170 -0.001 0.000 0.302 240 I C -0.393 175.749 176.117 0.041 0.000 1.101 240 I CA -0.816 60.529 61.300 0.075 0.000 1.031 240 I CB 2.165 40.277 38.000 0.186 0.000 1.231 240 I HN 0.675 nan 8.210 nan 0.000 0.427 241 M N 5.661 125.286 119.600 0.042 0.000 2.093 241 M HA 0.437 4.916 4.480 -0.001 0.000 0.297 241 M C -1.712 174.605 176.300 0.029 0.000 0.938 241 M CA -0.614 54.698 55.300 0.020 0.000 0.920 241 M CB 1.442 34.048 32.600 0.011 0.000 1.517 241 M HN 0.264 nan 8.290 nan 0.000 0.427 242 V N 4.589 124.510 119.914 0.013 0.000 2.408 242 V HA 0.469 4.588 4.120 -0.001 0.000 0.267 242 V C 0.449 176.544 176.094 0.001 0.000 1.047 242 V CA -0.459 61.839 62.300 -0.004 0.000 0.937 242 V CB 0.756 32.562 31.823 -0.027 0.000 0.999 242 V HN 0.874 nan 8.190 nan 0.000 0.472 243 A N 5.225 128.051 122.820 0.010 0.000 2.582 243 A HA 0.509 4.828 4.320 -0.001 0.000 0.336 243 A C 1.181 178.772 177.584 0.012 0.000 1.445 243 A CA -0.595 51.453 52.037 0.018 0.000 0.997 243 A CB 0.028 19.051 19.000 0.039 0.000 1.148 243 A HN 0.888 nan 8.150 nan 0.000 0.514 244 R N 1.663 122.163 120.500 0.001 0.000 2.083 244 R HA -0.134 4.206 4.340 -0.001 0.000 0.237 244 R C 2.346 178.648 176.300 0.003 0.000 1.137 244 R CA 2.126 58.222 56.100 -0.007 0.000 0.951 244 R CB -0.394 29.896 30.300 -0.016 0.000 0.851 244 R HN 0.703 nan 8.270 nan 0.000 0.434 245 G N 1.162 109.967 108.800 0.009 0.000 2.545 245 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.217 245 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.217 245 G C 0.732 175.646 174.900 0.023 0.000 1.218 245 G CA 1.589 46.697 45.100 0.014 0.000 0.787 245 G HN 0.324 nan 8.290 nan 0.000 0.571 246 D N 0.246 120.667 120.400 0.035 0.000 2.149 246 D HA -0.082 4.558 4.640 -0.001 0.000 0.198 246 D C 2.464 178.796 176.300 0.053 0.000 0.990 246 D CA 0.551 54.584 54.000 0.054 0.000 0.839 246 D CB -0.153 40.696 40.800 0.082 0.000 0.948 246 D HN 0.304 nan 8.370 nan 0.000 0.460 247 L N 0.259 121.503 121.223 0.035 0.000 2.093 247 L HA -0.018 4.321 4.340 -0.001 0.000 0.208 247 L C 2.412 179.294 176.870 0.020 0.000 1.085 247 L CA 1.139 55.994 54.840 0.024 0.000 0.755 247 L CB -0.461 41.600 42.059 0.004 0.000 0.904 247 L HN 0.154 nan 8.230 nan 0.000 0.435 248 G N -1.409 107.400 108.800 0.015 0.000 2.708 248 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.210 248 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.210 248 G C 1.276 176.186 174.900 0.018 0.000 1.141 248 G CA 0.353 45.460 45.100 0.011 0.000 0.788 248 G HN 0.233 nan 8.290 nan 0.000 0.531 249 V N -0.750 119.180 119.914 0.027 0.000 3.455 249 V HA 0.104 4.224 4.120 -0.001 0.000 0.250 249 V C 2.188 178.304 176.094 0.036 0.000 1.230 249 V CA 0.626 62.944 62.300 0.030 0.000 1.105 249 V CB 0.583 32.427 31.823 0.035 0.000 0.850 249 V HN 0.247 nan 8.190 nan 0.000 0.461 250 E N 0.490 120.715 120.200 0.042 0.000 2.276 250 E HA 0.206 4.555 4.350 -0.001 0.000 0.193 250 E C 0.693 177.312 176.600 0.032 0.000 0.983 250 E CA 0.547 56.975 56.400 0.046 0.000 0.861 250 E CB 0.823 30.562 29.700 0.066 0.000 0.817 250 E HN 0.655 nan 8.360 nan 0.000 0.485 251 I N -1.519 119.067 120.570 0.026 0.000 3.002 251 I HA 0.486 4.656 4.170 -0.001 0.000 0.310 251 I C -2.716 173.414 176.117 0.021 0.000 1.087 251 I CA -2.897 58.416 61.300 0.021 0.000 1.017 251 I CB 1.828 39.838 38.000 0.017 0.000 1.226 251 I HN -0.341 nan 8.210 nan 0.000 0.443 252 P HA -0.011 nan 4.420 nan 0.000 0.260 252 P C 1.202 178.516 177.300 0.024 0.000 1.172 252 P CA -0.210 62.904 63.100 0.023 0.000 0.760 252 P CB 0.549 32.266 31.700 0.028 0.000 0.773 253 V N 3.158 123.082 119.914 0.017 0.000 2.278 253 V HA -0.303 3.817 4.120 -0.001 0.000 0.251 253 V C 1.988 178.087 176.094 0.008 0.000 1.062 253 V CA 2.210 64.515 62.300 0.008 0.000 1.038 253 V CB -1.481 30.344 31.823 0.003 0.000 0.646 253 V HN 0.626 nan 8.190 nan 0.000 0.447 254 E N 0.559 120.775 120.200 0.027 0.000 2.463 254 E HA -0.236 4.113 4.350 -0.001 0.000 0.201 254 E C 1.669 178.327 176.600 0.096 0.000 1.045 254 E CA 1.475 57.903 56.400 0.047 0.000 0.872 254 E CB -0.313 29.429 29.700 0.071 0.000 0.797 254 E HN 0.735 nan 8.360 nan 0.000 0.538 255 E N 0.713 120.965 120.200 0.086 0.000 2.340 255 E HA 0.021 4.371 4.350 -0.001 0.000 0.194 255 E C 2.303 178.950 176.600 0.078 0.000 0.996 255 E CA 0.441 56.918 56.400 0.129 0.000 0.869 255 E CB 0.174 29.922 29.700 0.080 0.000 0.835 255 E HN 0.160 nan 8.360 nan 0.000 0.493 256 V N 2.436 122.358 119.914 0.013 0.000 2.324 256 V HA -0.272 3.847 4.120 -0.001 0.000 0.250 256 V C 2.467 178.523 176.094 -0.063 0.000 1.060 256 V CA 1.974 64.261 62.300 -0.021 0.000 1.042 256 V CB -0.836 30.970 31.823 -0.029 0.000 0.650 256 V HN 0.309 nan 8.190 nan 0.000 0.450 257 I N -3.482 116.997 120.570 -0.152 0.000 2.617 257 I HA -0.063 4.107 4.170 -0.001 0.000 0.256 257 I C 2.249 178.249 176.117 -0.196 0.000 1.167 257 I CA 1.393 62.557 61.300 -0.226 0.000 1.469 257 I CB -0.648 37.130 38.000 -0.371 0.000 1.098 257 I HN 0.097 nan 8.210 nan 0.000 0.436 258 F N 2.192 122.116 119.950 -0.043 0.000 2.234 258 F HA 0.037 4.564 4.527 -0.000 0.000 0.299 258 F C 2.718 178.474 175.800 -0.073 0.000 1.087 258 F CA 0.891 58.861 58.000 -0.049 0.000 1.340 258 F CB -0.836 38.141 39.000 -0.038 0.000 1.031 258 F HN 0.086 nan 8.300 nan 0.000 0.500 259 A N -0.477 122.386 122.820 0.071 0.000 1.873 259 A HA -0.227 4.092 4.320 -0.001 0.000 0.215 259 A C 2.222 179.746 177.584 -0.101 0.000 1.186 259 A CA 1.546 53.560 52.037 -0.039 0.000 0.616 259 A CB -0.929 18.040 19.000 -0.053 0.000 0.823 259 A HN 0.416 nan 8.150 nan 0.000 0.442 260 Q N 0.018 119.773 119.800 -0.075 0.000 2.045 260 Q HA -0.262 4.078 4.340 -0.001 0.000 0.206 260 Q C 2.002 177.962 176.000 -0.066 0.000 0.991 260 Q CA 2.177 57.931 55.803 -0.081 0.000 0.851 260 Q CB -0.183 28.515 28.738 -0.066 0.000 0.911 260 Q HN 0.678 nan 8.270 nan 0.000 0.418 261 K N 0.017 120.400 120.400 -0.027 0.000 2.009 261 K HA -0.198 4.122 4.320 -0.001 0.000 0.210 261 K C 2.261 178.860 176.600 -0.002 0.000 1.049 261 K CA 1.655 57.947 56.287 0.007 0.000 0.929 261 K CB -0.345 32.196 32.500 0.069 0.000 0.714 261 K HN 0.351 nan 8.250 nan 0.000 0.440 262 M N 0.809 120.402 119.600 -0.012 0.000 2.073 262 M HA -0.235 4.244 4.480 -0.001 0.000 0.258 262 M C 2.164 178.397 176.300 -0.112 0.000 1.070 262 M CA 1.835 57.107 55.300 -0.047 0.000 1.103 262 M CB -0.245 32.309 32.600 -0.077 0.000 1.321 262 M HN 0.241 nan 8.290 nan 0.000 0.405 263 M N -0.257 119.178 119.600 -0.276 0.000 2.086 263 M HA -0.238 4.242 4.480 -0.001 0.000 0.261 263 M C 2.124 178.389 176.300 -0.057 0.000 1.067 263 M CA 1.585 56.621 55.300 -0.439 0.000 1.116 263 M CB -0.507 31.663 32.600 -0.715 0.000 1.348 263 M HN 0.284 nan 8.290 nan 0.000 0.407 264 I N 0.184 120.729 120.570 -0.042 0.000 2.118 264 I HA -0.365 3.805 4.170 -0.001 0.000 0.241 264 I C 2.683 178.842 176.117 0.071 0.000 1.070 264 I CA 1.842 63.161 61.300 0.032 0.000 1.327 264 I CB -0.665 37.353 38.000 0.030 0.000 1.034 264 I HN 0.454 nan 8.210 nan 0.000 0.405 265 E N 2.091 122.327 120.200 0.060 0.000 2.031 265 E HA -0.284 4.066 4.350 -0.001 0.000 0.193 265 E C 2.056 178.713 176.600 0.095 0.000 0.994 265 E CA 1.651 58.097 56.400 0.077 0.000 0.800 265 E CB -0.155 29.579 29.700 0.058 0.000 0.752 265 E HN 0.494 nan 8.360 nan 0.000 0.447 266 K N 0.128 120.605 120.400 0.127 0.000 2.152 266 K HA -0.129 4.190 4.320 -0.001 0.000 0.206 266 K C 2.452 179.141 176.600 0.148 0.000 1.048 266 K CA 1.471 57.860 56.287 0.170 0.000 0.933 266 K CB -0.343 32.335 32.500 0.297 0.000 0.721 266 K HN 0.223 nan 8.250 nan 0.000 0.447 267 C N 0.931 120.329 119.300 0.163 0.000 2.432 267 C HA -0.081 4.379 4.460 -0.001 0.000 0.277 267 C C 2.558 177.573 174.990 0.042 0.000 1.249 267 C CA 0.489 59.571 59.018 0.106 0.000 1.725 267 C CB -0.642 27.159 27.740 0.102 0.000 2.028 267 C HN 0.392 nan 8.230 nan 0.000 0.477 268 I N 0.339 120.937 120.570 0.047 0.000 2.226 268 I HA -0.188 3.982 4.170 -0.001 0.000 0.245 268 I C 2.678 178.780 176.117 -0.025 0.000 1.100 268 I CA 1.494 62.793 61.300 -0.002 0.000 1.374 268 I CB -0.389 37.641 38.000 0.050 0.000 1.057 268 I HN 0.252 nan 8.210 nan 0.000 0.413 269 R N 0.414 120.921 120.500 0.013 0.000 2.152 269 R HA -0.061 4.279 4.340 -0.001 0.000 0.232 269 R C 2.106 178.399 176.300 -0.011 0.000 1.117 269 R CA 1.269 57.367 56.100 -0.002 0.000 0.981 269 R CB -0.321 29.995 30.300 0.026 0.000 0.870 269 R HN 0.356 nan 8.270 nan 0.000 0.451 270 A N 0.424 123.241 122.820 -0.005 0.000 2.238 270 A HA 0.125 4.445 4.320 -0.001 0.000 0.208 270 A C 0.697 178.262 177.584 -0.032 0.000 1.177 270 A CA 0.100 52.126 52.037 -0.019 0.000 0.804 270 A CB -0.121 18.864 19.000 -0.024 0.000 0.823 270 A HN 0.365 nan 8.150 nan 0.000 0.482 271 L N -1.796 119.402 121.223 -0.042 0.000 3.717 271 L HA -0.204 4.135 4.340 -0.001 0.000 0.411 271 L C -0.467 176.380 176.870 -0.038 0.000 1.233 271 L CA 0.661 55.472 54.840 -0.049 0.000 0.917 271 L CB -1.998 40.037 42.059 -0.039 0.000 1.902 271 L HN 0.402 nan 8.230 nan 0.000 0.894 272 K N 0.489 120.871 120.400 -0.030 0.000 2.471 272 K HA 0.615 4.935 4.320 -0.001 0.000 0.252 272 K C 0.187 176.783 176.600 -0.006 0.000 0.938 272 K CA -0.764 55.508 56.287 -0.024 0.000 0.796 272 K CB 2.888 35.368 32.500 -0.034 0.000 1.161 272 K HN 0.099 nan 8.250 nan 0.000 0.425 273 V N 0.249 120.165 119.914 0.004 0.000 3.139 273 V HA 0.303 4.423 4.120 -0.001 0.000 0.307 273 V C 0.085 176.173 176.094 -0.010 0.000 1.095 273 V CA -0.561 61.734 62.300 -0.009 0.000 1.160 273 V CB 1.097 32.907 31.823 -0.021 0.000 1.003 273 V HN 0.502 nan 8.190 nan 0.000 0.489 274 V N 4.751 124.657 119.914 -0.013 0.000 2.760 274 V HA 0.633 4.753 4.120 -0.001 0.000 0.309 274 V C -0.615 175.468 176.094 -0.017 0.000 1.077 274 V CA -0.628 61.674 62.300 0.003 0.000 0.910 274 V CB 1.866 33.710 31.823 0.035 0.000 1.008 274 V HN 0.878 nan 8.190 nan 0.000 0.424 275 I N 4.775 125.333 120.570 -0.020 0.000 2.474 275 I HA 0.454 4.623 4.170 -0.001 0.000 0.294 275 I C -0.158 175.952 176.117 -0.011 0.000 1.005 275 I CA -0.509 60.774 61.300 -0.029 0.000 1.113 275 I CB 2.371 40.339 38.000 -0.054 0.000 1.289 275 I HN 0.514 nan 8.210 nan 0.000 0.436 276 T N 5.165 119.714 114.554 -0.008 0.000 2.744 276 T HA 0.555 4.905 4.350 -0.001 0.000 0.291 276 T C 0.470 175.168 174.700 -0.004 0.000 0.957 276 T CA -0.318 61.779 62.100 -0.006 0.000 1.002 276 T CB 1.815 70.680 68.868 -0.005 0.000 0.919 276 T HN 0.802 nan 8.240 nan 0.000 0.468 277 A N 3.465 126.284 122.820 -0.002 0.000 1.962 277 A HA 0.555 4.875 4.320 -0.001 0.000 0.202 277 A C 1.345 178.933 177.584 0.008 0.000 2.303 277 A CA -0.050 51.990 52.037 0.004 0.000 1.341 277 A CB -0.665 18.340 19.000 0.009 0.000 1.044 277 A HN 0.741 nan 8.150 nan 0.000 0.583 278 T N -2.486 112.074 114.554 0.011 0.000 2.680 278 T HA 0.334 4.683 4.350 -0.001 0.000 0.314 278 T C 0.572 175.277 174.700 0.008 0.000 1.045 278 T CA 0.792 62.901 62.100 0.015 0.000 1.025 278 T CB -0.101 68.777 68.868 0.018 0.000 1.000 278 T HN 0.803 nan 8.240 nan 0.000 0.535 279 M N 0.226 119.832 119.600 0.009 0.000 2.302 279 M HA -0.191 4.288 4.480 -0.001 0.000 0.200 279 M C 0.627 176.928 176.300 0.001 0.000 0.366 279 M CA 0.220 55.523 55.300 0.005 0.000 0.440 279 M CB -1.162 31.439 32.600 0.000 0.000 1.475 279 M HN 0.669 nan 8.290 nan 0.000 0.905 280 M N -0.726 118.877 119.600 0.005 0.000 2.184 280 M HA 0.139 4.618 4.480 -0.001 0.000 0.244 280 M C 1.421 177.722 176.300 0.003 0.000 1.141 280 M CA 1.516 56.818 55.300 0.002 0.000 1.161 280 M CB -0.337 32.266 32.600 0.005 0.000 1.237 280 M HN 0.485 nan 8.290 nan 0.000 0.444 281 L N 0.605 121.833 121.223 0.008 0.000 3.141 281 L HA 0.134 4.474 4.340 -0.001 0.000 0.267 281 L C 0.690 177.567 176.870 0.011 0.000 1.281 281 L CA -0.412 54.431 54.840 0.006 0.000 1.037 281 L CB -0.012 42.053 42.059 0.010 0.000 1.407 281 L HN 0.229 nan 8.230 nan 0.000 0.566 282 D N 0.599 121.006 120.400 0.011 0.000 2.190 282 D HA -0.212 4.427 4.640 -0.001 0.000 0.200 282 D C 2.237 178.547 176.300 0.017 0.000 0.992 282 D CA 1.926 55.935 54.000 0.016 0.000 0.854 282 D CB 0.205 41.013 40.800 0.014 0.000 0.936 282 D HN 0.420 nan 8.370 nan 0.000 0.462 283 S N 0.196 115.900 115.700 0.007 0.000 2.440 283 S HA -0.159 4.311 4.470 -0.001 0.000 0.238 283 S C 1.881 176.487 174.600 0.010 0.000 1.010 283 S CA 0.671 58.873 58.200 0.004 0.000 0.972 283 S CB -0.404 62.791 63.200 -0.009 0.000 0.774 283 S HN 0.249 nan 8.310 nan 0.000 0.501 284 M N 0.356 119.964 119.600 0.013 0.000 2.686 284 M HA 0.155 4.634 4.480 -0.001 0.000 0.246 284 M C 1.513 177.884 176.300 0.118 0.000 1.096 284 M CA 0.601 55.920 55.300 0.031 0.000 1.076 284 M CB -0.703 31.913 32.600 0.026 0.000 1.504 284 M HN 0.354 nan 8.290 nan 0.000 0.524 285 I N 0.534 121.155 120.570 0.086 0.000 2.493 285 I HA -0.255 3.915 4.170 -0.001 0.000 0.254 285 I C 2.011 178.216 176.117 0.146 0.000 1.160 285 I CA 1.467 62.824 61.300 0.096 0.000 1.445 285 I CB -0.045 37.985 38.000 0.050 0.000 1.086 285 I HN 0.274 nan 8.210 nan 0.000 0.433 286 K N -0.481 119.998 120.400 0.132 0.000 2.391 286 K HA 0.217 4.536 4.320 -0.001 0.000 0.197 286 K C -0.054 176.655 176.600 0.181 0.000 1.087 286 K CA 0.049 56.431 56.287 0.160 0.000 1.012 286 K CB 0.470 33.017 32.500 0.080 0.000 0.925 286 K HN 0.297 nan 8.250 nan 0.000 0.547 287 N N 0.342 119.054 118.700 0.020 0.000 2.381 287 N HA 0.201 4.941 4.740 -0.001 0.000 0.294 287 N C -2.608 172.516 175.510 -0.643 0.000 1.216 287 N CA -1.840 51.073 53.050 -0.229 0.000 0.803 287 N CB 1.794 40.190 38.487 -0.153 0.000 1.372 287 N HN -0.250 nan 8.380 nan 0.000 0.500 288 P HA 0.168 nan 4.420 nan 0.000 0.262 288 P C -0.939 176.142 177.300 -0.365 0.000 1.304 288 P CA 0.389 62.929 63.100 -0.933 0.000 0.859 288 P CB 0.432 31.547 31.700 -0.976 0.000 1.310 289 R N 0.511 120.860 120.500 -0.253 0.000 2.651 289 R HA 0.492 4.832 4.340 -0.001 0.000 0.278 289 R C -2.973 173.270 176.300 -0.095 0.000 1.010 289 R CA -2.061 53.958 56.100 -0.135 0.000 0.896 289 R CB 1.880 32.118 30.300 -0.104 0.000 1.211 289 R HN -0.067 nan 8.270 nan 0.000 0.456 290 P HA 0.124 nan 4.420 nan 0.000 0.281 290 P C -0.279 176.998 177.300 -0.037 0.000 1.281 290 P CA -0.333 62.743 63.100 -0.041 0.000 0.811 290 P CB 0.831 32.515 31.700 -0.027 0.000 1.154 291 T N -2.531 112.006 114.554 -0.028 0.000 2.881 291 T HA 0.222 4.572 4.350 -0.001 0.000 0.278 291 T C 1.337 176.023 174.700 -0.022 0.000 0.982 291 T CA -0.673 61.412 62.100 -0.025 0.000 0.989 291 T CB 0.868 69.723 68.868 -0.021 0.000 1.058 291 T HN 0.386 nan 8.240 nan 0.000 0.529 292 R N 0.585 121.073 120.500 -0.021 0.000 2.092 292 R HA -0.011 4.328 4.340 -0.001 0.000 0.231 292 R C 2.195 178.483 176.300 -0.019 0.000 1.119 292 R CA 1.798 57.887 56.100 -0.019 0.000 0.970 292 R CB -1.468 28.822 30.300 -0.018 0.000 0.864 292 R HN 0.799 nan 8.270 nan 0.000 0.440 293 A N 1.238 124.046 122.820 -0.019 0.000 1.898 293 A HA -0.135 4.185 4.320 -0.001 0.000 0.216 293 A C 2.082 179.654 177.584 -0.020 0.000 1.181 293 A CA 1.462 53.487 52.037 -0.020 0.000 0.620 293 A CB -0.383 18.605 19.000 -0.020 0.000 0.819 293 A HN 0.539 nan 8.150 nan 0.000 0.442 294 E N -0.337 119.852 120.200 -0.018 0.000 2.051 294 E HA -0.106 4.244 4.350 -0.001 0.000 0.192 294 E C 2.330 178.920 176.600 -0.016 0.000 0.991 294 E CA 0.954 57.344 56.400 -0.016 0.000 0.799 294 E CB -0.277 29.414 29.700 -0.014 0.000 0.748 294 E HN 0.609 nan 8.360 nan 0.000 0.449 295 A N 0.892 123.703 122.820 -0.016 0.000 1.940 295 A HA -0.138 4.182 4.320 -0.001 0.000 0.219 295 A C 2.383 179.958 177.584 -0.014 0.000 1.176 295 A CA 1.792 53.820 52.037 -0.014 0.000 0.631 295 A CB -1.075 17.916 19.000 -0.013 0.000 0.814 295 A HN 0.384 nan 8.150 nan 0.000 0.446 296 G N -0.567 108.222 108.800 -0.018 0.000 2.422 296 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.218 296 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.218 296 G C 1.326 176.211 174.900 -0.025 0.000 1.140 296 G CA 1.292 46.380 45.100 -0.021 0.000 0.775 296 G HN 0.513 nan 8.290 nan 0.000 0.545 297 D N 0.332 120.717 120.400 -0.026 0.000 2.097 297 D HA -0.104 4.536 4.640 -0.001 0.000 0.195 297 D C 2.674 178.961 176.300 -0.022 0.000 0.989 297 D CA 0.907 54.889 54.000 -0.030 0.000 0.827 297 D CB -0.247 40.535 40.800 -0.029 0.000 0.966 297 D HN 0.155 nan 8.370 nan 0.000 0.456 298 V N 0.975 120.880 119.914 -0.015 0.000 2.358 298 V HA -0.160 3.960 4.120 -0.001 0.000 0.246 298 V C 2.656 178.746 176.094 -0.006 0.000 1.047 298 V CA 1.598 63.893 62.300 -0.008 0.000 1.035 298 V CB -0.969 30.852 31.823 -0.004 0.000 0.658 298 V HN 0.286 nan 8.190 nan 0.000 0.452 299 A N 0.552 123.366 122.820 -0.009 0.000 1.892 299 A HA -0.288 4.032 4.320 -0.001 0.000 0.218 299 A C 2.099 179.676 177.584 -0.011 0.000 1.188 299 A CA 2.335 54.368 52.037 -0.007 0.000 0.631 299 A CB -0.731 18.263 19.000 -0.010 0.000 0.822 299 A HN 0.573 nan 8.150 nan 0.000 0.447 300 N N -0.068 118.620 118.700 -0.020 0.000 2.309 300 N HA -0.041 4.699 4.740 -0.001 0.000 0.182 300 N C 1.858 177.354 175.510 -0.025 0.000 1.018 300 N CA 1.259 54.292 53.050 -0.029 0.000 0.876 300 N CB -0.421 38.041 38.487 -0.042 0.000 0.972 300 N HN 0.489 nan 8.380 nan 0.000 0.434 301 A N 1.256 124.066 122.820 -0.017 0.000 1.873 301 A HA -0.064 4.255 4.320 -0.001 0.000 0.215 301 A C 2.289 179.880 177.584 0.011 0.000 1.186 301 A CA 0.831 52.863 52.037 -0.007 0.000 0.616 301 A CB -0.619 18.378 19.000 -0.006 0.000 0.823 301 A HN 0.199 nan 8.150 nan 0.000 0.442 302 I N -0.285 120.295 120.570 0.017 0.000 2.163 302 I HA -0.293 3.877 4.170 -0.001 0.000 0.243 302 I C 2.327 178.462 176.117 0.031 0.000 1.085 302 I CA 1.308 62.632 61.300 0.040 0.000 1.347 302 I CB -0.386 37.637 38.000 0.039 0.000 1.044 302 I HN 0.274 nan 8.210 nan 0.000 0.408 303 L N 0.043 121.263 121.223 -0.004 0.000 2.141 303 L HA -0.194 4.145 4.340 -0.001 0.000 0.209 303 L C 1.971 178.808 176.870 -0.055 0.000 1.094 303 L CA 0.984 55.800 54.840 -0.039 0.000 0.763 303 L CB -0.617 41.416 42.059 -0.043 0.000 0.908 303 L HN 0.231 nan 8.230 nan 0.000 0.437 304 D N 0.205 120.590 120.400 -0.025 0.000 2.263 304 D HA -0.069 4.571 4.640 -0.001 0.000 0.208 304 D C 1.611 177.916 176.300 0.008 0.000 0.971 304 D CA 1.395 55.384 54.000 -0.018 0.000 0.867 304 D CB 0.151 40.945 40.800 -0.011 0.000 0.929 304 D HN 0.425 nan 8.370 nan 0.000 0.492 305 G N -0.010 108.825 108.800 0.059 0.000 2.141 305 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.164 305 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.164 305 G C 0.510 175.566 174.900 0.259 0.000 1.009 305 G CA 0.257 45.492 45.100 0.226 0.000 0.677 305 G HN 0.378 nan 8.290 nan 0.000 0.508 306 T N -0.576 114.058 114.554 0.132 0.000 2.795 306 T HA 0.353 4.703 4.350 -0.001 0.000 0.314 306 T C 1.494 176.236 174.700 0.069 0.000 1.069 306 T CA 1.272 63.422 62.100 0.083 0.000 1.071 306 T CB 0.382 69.276 68.868 0.043 0.000 0.988 306 T HN 0.184 nan 8.240 nan 0.000 0.543 307 D N 0.783 121.195 120.400 0.020 0.000 2.262 307 D HA 0.391 5.031 4.640 -0.001 0.000 0.212 307 D C 0.322 176.621 176.300 -0.002 0.000 0.964 307 D CA 0.652 54.648 54.000 -0.007 0.000 0.875 307 D CB 0.217 40.998 40.800 -0.033 0.000 0.996 307 D HN 0.624 nan 8.370 nan 0.000 0.497 308 A N -0.054 122.761 122.820 -0.008 0.000 2.566 308 A HA 0.690 5.010 4.320 -0.001 0.000 0.292 308 A C -1.223 176.358 177.584 -0.006 0.000 1.112 308 A CA -0.753 51.277 52.037 -0.011 0.000 0.707 308 A CB 1.391 20.370 19.000 -0.035 0.000 1.302 308 A HN 0.078 nan 8.150 nan 0.000 0.409 309 V N -1.399 118.514 119.914 -0.002 0.000 2.680 309 V HA 0.880 4.999 4.120 -0.001 0.000 0.309 309 V C -0.394 175.700 176.094 0.000 0.000 1.052 309 V CA -0.666 61.635 62.300 0.002 0.000 0.908 309 V CB 1.477 33.304 31.823 0.008 0.000 1.001 309 V HN 1.187 nan 8.190 nan 0.000 0.431 310 M N 4.406 124.008 119.600 0.002 0.000 2.464 310 M HA 0.683 5.162 4.480 -0.001 0.000 0.308 310 M C -2.014 174.294 176.300 0.014 0.000 1.127 310 M CA -0.683 54.621 55.300 0.007 0.000 0.913 310 M CB 2.142 34.744 32.600 0.004 0.000 1.689 310 M HN 0.771 nan 8.290 nan 0.000 0.445 311 L N 3.186 124.421 121.223 0.020 0.000 2.289 311 L HA 0.465 4.804 4.340 -0.001 0.000 0.285 311 L C 0.146 177.034 176.870 0.030 0.000 1.049 311 L CA -0.243 54.612 54.840 0.025 0.000 0.804 311 L CB 1.821 43.896 42.059 0.028 0.000 1.195 311 L HN 0.860 nan 8.230 nan 0.000 0.428 312 S N 1.328 117.047 115.700 0.032 0.000 4.041 312 S HA 0.192 4.662 4.470 -0.001 0.000 0.194 312 S C 1.592 176.214 174.600 0.037 0.000 0.942 312 S CA 0.210 58.433 58.200 0.038 0.000 1.642 312 S CB -0.037 63.185 63.200 0.037 0.000 0.665 312 S HN 0.877 nan 8.310 nan 0.000 0.698 313 G N 0.955 109.776 108.800 0.035 0.000 2.581 313 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.223 313 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.223 313 G C 0.907 175.823 174.900 0.028 0.000 1.094 313 G CA 1.408 46.524 45.100 0.026 0.000 0.736 313 G HN 0.604 nan 8.290 nan 0.000 0.588 314 E N 0.592 120.813 120.200 0.034 0.000 2.204 314 E HA -0.064 4.286 4.350 -0.001 0.000 0.195 314 E C 2.627 179.253 176.600 0.043 0.000 0.990 314 E CA 1.452 57.879 56.400 0.046 0.000 0.821 314 E CB -0.050 29.678 29.700 0.045 0.000 0.750 314 E HN 0.610 nan 8.360 nan 0.000 0.477 315 S N -1.506 114.215 115.700 0.034 0.000 2.578 315 S HA 0.454 4.924 4.470 -0.001 0.000 0.228 315 S C 1.673 176.285 174.600 0.020 0.000 1.022 315 S CA 0.008 58.225 58.200 0.030 0.000 0.967 315 S CB 0.817 64.037 63.200 0.032 0.000 0.914 315 S HN 0.224 nan 8.310 nan 0.000 0.515 316 A N 3.124 125.954 122.820 0.017 0.000 1.942 316 A HA 0.298 4.618 4.320 -0.001 0.000 0.209 316 A C 1.934 179.509 177.584 -0.015 0.000 1.214 316 A CA 0.880 52.922 52.037 0.008 0.000 0.686 316 A CB -0.050 18.960 19.000 0.018 0.000 0.871 316 A HN 0.588 nan 8.150 nan 0.000 0.460 317 K N -1.376 119.014 120.400 -0.018 0.000 2.558 317 K HA 0.248 4.568 4.320 -0.001 0.000 0.215 317 K C 0.848 177.426 176.600 -0.035 0.000 1.298 317 K CA 0.349 56.613 56.287 -0.038 0.000 1.008 317 K CB -0.048 32.420 32.500 -0.054 0.000 1.073 317 K HN 0.236 nan 8.250 nan 0.000 0.606 318 G N 1.320 110.113 108.800 -0.013 0.000 2.716 318 G HA2 0.225 4.185 3.960 -0.001 0.000 0.251 318 G HA3 0.225 4.185 3.960 -0.001 0.000 0.251 318 G C 0.750 175.612 174.900 -0.064 0.000 1.224 318 G CA 0.305 45.405 45.100 -0.001 0.000 0.891 318 G HN 0.309 nan 8.290 nan 0.000 0.561 319 K N -1.047 119.285 120.400 -0.114 0.000 2.459 319 K HA 0.215 4.534 4.320 -0.001 0.000 0.193 319 K C 0.517 176.656 176.600 -0.768 0.000 1.030 319 K CA 0.763 56.785 56.287 -0.441 0.000 1.026 319 K CB -0.222 31.994 32.500 -0.473 0.000 0.809 319 K HN 0.632 nan 8.250 nan 0.000 0.504 320 Y N -0.105 120.192 120.300 -0.005 0.000 2.614 320 Y HA 0.162 4.712 4.550 -0.001 0.000 0.296 320 Y C -1.709 174.190 175.900 -0.001 0.000 0.942 320 Y CA -2.109 55.989 58.100 -0.003 0.000 1.111 320 Y CB 1.311 39.769 38.460 -0.002 0.000 1.182 320 Y HN 0.040 nan 8.280 nan 0.000 0.624 321 P HA -0.281 nan 4.420 nan 0.000 0.217 321 P C 1.709 179.048 177.300 0.064 0.000 1.162 321 P CA 1.398 64.533 63.100 0.058 0.000 0.901 321 P CB 0.632 32.342 31.700 0.017 0.000 0.793 322 L N -0.192 121.067 121.223 0.060 0.000 2.275 322 L HA -0.072 4.268 4.340 -0.001 0.000 0.215 322 L C 2.216 179.128 176.870 0.069 0.000 1.119 322 L CA 1.808 56.682 54.840 0.055 0.000 0.790 322 L CB -1.206 40.879 42.059 0.043 0.000 0.919 322 L HN -0.189 nan 8.230 nan 0.000 0.443 323 E N -0.557 119.708 120.200 0.108 0.000 2.107 323 E HA -0.038 4.312 4.350 -0.001 0.000 0.191 323 E C 2.240 178.872 176.600 0.054 0.000 0.982 323 E CA 1.146 57.596 56.400 0.085 0.000 0.809 323 E CB -0.337 29.418 29.700 0.092 0.000 0.756 323 E HN 0.564 nan 8.360 nan 0.000 0.459 324 A N 0.445 123.307 122.820 0.069 0.000 1.873 324 A HA -0.122 4.197 4.320 -0.001 0.000 0.215 324 A C 2.427 180.032 177.584 0.034 0.000 1.186 324 A CA 1.212 53.276 52.037 0.043 0.000 0.616 324 A CB -0.757 18.274 19.000 0.052 0.000 0.823 324 A HN 0.130 nan 8.150 nan 0.000 0.442 325 V N 0.004 119.941 119.914 0.038 0.000 2.282 325 V HA -0.282 3.838 4.120 -0.001 0.000 0.249 325 V C 2.793 178.903 176.094 0.026 0.000 1.057 325 V CA 2.485 64.804 62.300 0.031 0.000 1.032 325 V CB -1.038 30.804 31.823 0.031 0.000 0.645 325 V HN 0.549 nan 8.190 nan 0.000 0.447 326 S N -0.521 115.196 115.700 0.027 0.000 2.368 326 S HA -0.152 4.318 4.470 -0.001 0.000 0.225 326 S C 1.897 176.507 174.600 0.016 0.000 1.030 326 S CA 1.682 59.895 58.200 0.022 0.000 0.999 326 S CB -0.355 62.860 63.200 0.024 0.000 0.844 326 S HN 0.460 nan 8.310 nan 0.000 0.459 327 I N 1.316 121.893 120.570 0.012 0.000 2.439 327 I HA 0.041 4.211 4.170 -0.001 0.000 0.251 327 I C 1.973 178.094 176.117 0.007 0.000 1.139 327 I CA 0.926 62.228 61.300 0.004 0.000 1.438 327 I CB -0.727 37.269 38.000 -0.006 0.000 1.085 327 I HN 0.208 nan 8.210 nan 0.000 0.427 328 M N 0.882 120.488 119.600 0.011 0.000 2.202 328 M HA -0.120 4.360 4.480 -0.001 0.000 0.262 328 M C 2.056 178.364 176.300 0.014 0.000 1.063 328 M CA 2.159 57.467 55.300 0.012 0.000 1.097 328 M CB -0.835 31.775 32.600 0.016 0.000 1.382 328 M HN 0.273 nan 8.290 nan 0.000 0.413 329 A N -1.515 121.314 122.820 0.016 0.000 1.935 329 A HA -0.045 4.275 4.320 -0.001 0.000 0.214 329 A C 2.222 179.816 177.584 0.016 0.000 1.178 329 A CA 1.702 53.749 52.037 0.018 0.000 0.640 329 A CB -1.352 17.660 19.000 0.020 0.000 0.825 329 A HN 0.631 nan 8.150 nan 0.000 0.447 330 T N -1.037 113.525 114.554 0.013 0.000 2.821 330 T HA -0.083 4.267 4.350 -0.001 0.000 0.267 330 T C 1.816 176.523 174.700 0.011 0.000 1.046 330 T CA 1.521 63.628 62.100 0.012 0.000 1.139 330 T CB -0.591 68.282 68.868 0.008 0.000 0.871 330 T HN 0.324 nan 8.240 nan 0.000 0.454 331 I N 0.740 121.316 120.570 0.009 0.000 2.226 331 I HA -0.149 4.021 4.170 -0.001 0.000 0.245 331 I C 2.936 179.061 176.117 0.013 0.000 1.100 331 I CA 0.968 62.273 61.300 0.008 0.000 1.374 331 I CB -0.570 37.433 38.000 0.005 0.000 1.057 331 I HN 0.403 nan 8.210 nan 0.000 0.413 332 C N 0.312 119.622 119.300 0.017 0.000 2.462 332 C HA -0.136 4.324 4.460 -0.001 0.000 0.278 332 C C 2.883 177.889 174.990 0.027 0.000 1.253 332 C CA 0.750 59.782 59.018 0.023 0.000 1.713 332 C CB -0.854 26.901 27.740 0.025 0.000 2.049 332 C HN 0.521 nan 8.230 nan 0.000 0.477 333 E N 1.494 121.708 120.200 0.024 0.000 2.070 333 E HA -0.264 4.085 4.350 -0.001 0.000 0.197 333 E C 2.196 178.810 176.600 0.024 0.000 1.004 333 E CA 1.752 58.167 56.400 0.026 0.000 0.805 333 E CB -0.363 29.351 29.700 0.023 0.000 0.744 333 E HN 0.565 nan 8.360 nan 0.000 0.451 334 R N -0.173 120.338 120.500 0.019 0.000 2.153 334 R HA 0.019 4.359 4.340 -0.001 0.000 0.218 334 R C 2.193 178.502 176.300 0.015 0.000 1.072 334 R CA 1.855 57.964 56.100 0.015 0.000 0.990 334 R CB -0.530 29.776 30.300 0.010 0.000 0.889 334 R HN 0.104 nan 8.270 nan 0.000 0.452 335 T N 0.444 115.008 114.554 0.017 0.000 2.937 335 T HA -0.002 4.348 4.350 -0.001 0.000 0.260 335 T C 0.932 175.647 174.700 0.025 0.000 1.051 335 T CA 1.121 63.230 62.100 0.015 0.000 1.141 335 T CB -0.203 68.674 68.868 0.014 0.000 0.879 335 T HN 0.198 nan 8.240 nan 0.000 0.459 336 D N 1.648 122.069 120.400 0.035 0.000 2.144 336 D HA -0.090 4.549 4.640 -0.001 0.000 0.199 336 D C 2.264 178.592 176.300 0.047 0.000 0.984 336 D CA 0.764 54.795 54.000 0.052 0.000 0.834 336 D CB -0.245 40.589 40.800 0.057 0.000 0.955 336 D HN 0.496 nan 8.370 nan 0.000 0.465 337 R N 0.885 121.406 120.500 0.035 0.000 2.339 337 R HA -0.032 4.308 4.340 -0.001 0.000 0.199 337 R C 0.863 177.179 176.300 0.027 0.000 1.018 337 R CA 0.726 56.846 56.100 0.033 0.000 1.036 337 R CB -0.110 30.207 30.300 0.028 0.000 0.899 337 R HN 0.154 nan 8.270 nan 0.000 0.473 338 V N -2.031 117.895 119.914 0.021 0.000 3.043 338 V HA 0.398 4.517 4.120 -0.001 0.000 0.357 338 V C 0.338 176.436 176.094 0.007 0.000 1.372 338 V CA -0.597 61.710 62.300 0.012 0.000 1.214 338 V CB -0.350 31.477 31.823 0.005 0.000 1.224 338 V HN 0.085 nan 8.190 nan 0.000 0.507 339 M N 1.531 121.141 119.600 0.016 0.000 2.573 339 M HA 0.568 5.048 4.480 -0.001 0.000 0.309 339 M C -0.335 175.976 176.300 0.017 0.000 1.202 339 M CA -0.201 55.098 55.300 -0.001 0.000 0.975 339 M CB 1.708 34.314 32.600 0.009 0.000 1.600 339 M HN 0.275 nan 8.290 nan 0.000 0.479 340 N N -0.210 118.487 118.700 -0.004 0.000 2.380 340 N HA 0.423 5.163 4.740 -0.001 0.000 0.290 340 N C -1.077 174.474 175.510 0.069 0.000 1.236 340 N CA -0.463 52.604 53.050 0.029 0.000 0.780 340 N CB 1.844 40.335 38.487 0.006 0.000 1.438 340 N HN 0.715 nan 8.380 nan 0.000 0.491 341 S N 0.270 116.036 115.700 0.109 0.000 2.589 341 S HA 0.325 4.795 4.470 -0.001 0.000 0.265 341 S C 0.015 174.709 174.600 0.157 0.000 1.342 341 S CA -0.388 57.922 58.200 0.184 0.000 1.005 341 S CB 0.722 64.018 63.200 0.159 0.000 0.909 341 S HN 0.428 nan 8.310 nan 0.000 0.555 342 R N 1.285 121.929 120.500 0.241 0.000 2.352 342 R HA 0.390 4.730 4.340 -0.001 0.000 0.304 342 R C 0.004 176.470 176.300 0.277 0.000 1.104 342 R CA -0.277 55.940 56.100 0.195 0.000 0.991 342 R CB 0.573 30.977 30.300 0.174 0.000 1.140 342 R HN 0.606 nan 8.270 nan 0.000 0.540 343 L N 1.635 122.957 121.223 0.166 0.000 2.189 343 L HA 0.091 4.431 4.340 -0.001 0.000 0.199 343 L C 1.297 178.247 176.870 0.134 0.000 1.074 343 L CA 1.095 56.011 54.840 0.127 0.000 0.783 343 L CB -0.513 41.562 42.059 0.026 0.000 0.955 343 L HN 0.821 nan 8.230 nan 0.000 0.460 355 T N 1.378 115.956 114.554 0.039 0.000 2.635 355 T HA -0.193 4.156 4.350 -0.001 0.000 0.267 355 T C 1.498 176.244 174.700 0.077 0.000 1.040 355 T CA 2.305 64.436 62.100 0.052 0.000 1.156 355 T CB -0.207 68.688 68.868 0.045 0.000 0.863 355 T HN 0.238 nan 8.240 nan 0.000 0.430 356 E N 1.358 121.612 120.200 0.090 0.000 2.049 356 E HA -0.091 4.259 4.350 -0.001 0.000 0.198 356 E C 2.436 179.083 176.600 0.079 0.000 1.007 356 E CA 1.472 57.954 56.400 0.137 0.000 0.809 356 E CB -0.942 28.837 29.700 0.133 0.000 0.749 356 E HN 0.533 nan 8.360 nan 0.000 0.450 357 A N 0.528 123.375 122.820 0.045 0.000 1.902 357 A HA -0.168 4.152 4.320 -0.001 0.000 0.217 357 A C 2.572 180.152 177.584 -0.007 0.000 1.181 357 A CA 1.705 53.748 52.037 0.010 0.000 0.623 357 A CB -0.802 18.205 19.000 0.011 0.000 0.818 357 A HN 0.147 nan 8.150 nan 0.000 0.443 358 V N -0.650 119.275 119.914 0.019 0.000 2.255 358 V HA -0.350 3.770 4.120 -0.001 0.000 0.247 358 V C 2.687 178.789 176.094 0.014 0.000 1.051 358 V CA 2.223 64.536 62.300 0.022 0.000 1.018 358 V CB -1.180 30.669 31.823 0.044 0.000 0.641 358 V HN 0.718 nan 8.190 nan 0.000 0.445 359 C N -0.658 118.669 119.300 0.045 0.000 2.440 359 C HA -0.111 4.349 4.460 -0.001 0.000 0.278 359 C C 2.882 177.825 174.990 -0.079 0.000 1.295 359 C CA 0.986 60.046 59.018 0.069 0.000 1.738 359 C CB -1.205 26.643 27.740 0.179 0.000 1.987 359 C HN 0.507 nan 8.230 nan 0.000 0.492 360 R N 0.873 121.199 120.500 -0.291 0.000 2.096 360 R HA -0.085 4.254 4.340 -0.001 0.000 0.235 360 R C 2.324 178.419 176.300 -0.341 0.000 1.127 360 R CA 1.696 57.357 56.100 -0.732 0.000 0.968 360 R CB -0.611 29.297 30.300 -0.652 0.000 0.861 360 R HN 0.597 nan 8.270 nan 0.000 0.440 361 G N 0.049 108.745 108.800 -0.175 0.000 2.421 361 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.216 361 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.216 361 G C 1.508 176.366 174.900 -0.070 0.000 1.171 361 G CA 0.791 45.832 45.100 -0.098 0.000 0.775 361 G HN 0.459 nan 8.290 nan 0.000 0.543 362 A N 0.035 122.830 122.820 -0.042 0.000 1.917 362 A HA -0.005 4.315 4.320 -0.001 0.000 0.219 362 A C 2.624 180.204 177.584 -0.006 0.000 1.182 362 A CA 2.088 54.124 52.037 -0.002 0.000 0.633 362 A CB -0.695 18.329 19.000 0.039 0.000 0.819 362 A HN 0.286 nan 8.150 nan 0.000 0.448 363 V N -0.136 119.759 119.914 -0.031 0.000 2.323 363 V HA -0.231 3.889 4.120 -0.001 0.000 0.244 363 V C 2.521 178.603 176.094 -0.019 0.000 1.041 363 V CA 2.099 64.397 62.300 -0.003 0.000 1.025 363 V CB -0.685 31.153 31.823 0.024 0.000 0.656 363 V HN 0.776 nan 8.190 nan 0.000 0.451 364 E N -0.222 119.937 120.200 -0.070 0.000 2.171 364 E HA -0.252 4.098 4.350 -0.001 0.000 0.197 364 E C 2.131 178.717 176.600 -0.024 0.000 0.997 364 E CA 1.892 58.265 56.400 -0.046 0.000 0.810 364 E CB -0.025 29.631 29.700 -0.074 0.000 0.738 364 E HN 0.599 nan 8.360 nan 0.000 0.467 365 T N 0.036 114.575 114.554 -0.024 0.000 2.851 365 T HA 0.030 4.379 4.350 -0.001 0.000 0.262 365 T C 1.799 176.495 174.700 -0.006 0.000 1.043 365 T CA 0.997 63.086 62.100 -0.017 0.000 1.140 365 T CB -0.189 68.665 68.868 -0.022 0.000 0.872 365 T HN 0.334 nan 8.240 nan 0.000 0.446 366 A N 1.987 124.809 122.820 0.003 0.000 1.948 366 A HA -0.204 4.115 4.320 -0.001 0.000 0.220 366 A C 2.180 179.774 177.584 0.016 0.000 1.177 366 A CA 1.744 53.789 52.037 0.014 0.000 0.636 366 A CB -0.469 18.548 19.000 0.029 0.000 0.815 366 A HN 0.591 nan 8.150 nan 0.000 0.449 367 E N -0.194 120.016 120.200 0.017 0.000 2.046 367 E HA -0.154 4.196 4.350 -0.001 0.000 0.190 367 E C 2.032 178.639 176.600 0.012 0.000 0.982 367 E CA 1.114 57.527 56.400 0.020 0.000 0.800 367 E CB -0.271 29.445 29.700 0.027 0.000 0.756 367 E HN 0.611 nan 8.360 nan 0.000 0.449 368 K N 0.855 121.257 120.400 0.004 0.000 2.063 368 K HA -0.101 4.219 4.320 -0.001 0.000 0.208 368 K C 2.004 178.604 176.600 -0.000 0.000 1.048 368 K CA 1.059 57.346 56.287 -0.000 0.000 0.928 368 K CB -0.146 32.350 32.500 -0.007 0.000 0.713 368 K HN 0.108 nan 8.250 nan 0.000 0.442 369 L N 0.773 121.995 121.223 -0.002 0.000 2.627 369 L HA 0.032 4.371 4.340 -0.001 0.000 0.232 369 L C -0.216 176.657 176.870 0.005 0.000 1.150 369 L CA 0.052 54.891 54.840 -0.002 0.000 0.917 369 L CB -0.317 41.737 42.059 -0.009 0.000 1.104 369 L HN 0.250 nan 8.230 nan 0.000 0.445 370 D N 1.034 121.440 120.400 0.011 0.000 2.723 370 D HA -0.160 4.480 4.640 -0.001 0.000 0.236 370 D C 0.429 176.741 176.300 0.020 0.000 1.138 370 D CA 0.749 54.760 54.000 0.017 0.000 0.676 370 D CB -0.180 40.630 40.800 0.016 0.000 1.069 370 D HN 0.438 nan 8.370 nan 0.000 0.430 371 A N 1.131 123.963 122.820 0.020 0.000 2.328 371 A HA 0.435 4.754 4.320 -0.001 0.000 0.284 371 A C -0.774 176.827 177.584 0.028 0.000 1.160 371 A CA -0.951 51.099 52.037 0.022 0.000 0.818 371 A CB 0.774 19.785 19.000 0.018 0.000 1.087 371 A HN 0.003 nan 8.150 nan 0.000 0.504 372 P HA 0.111 nan 4.420 nan 0.000 0.241 372 P C -0.317 176.999 177.300 0.028 0.000 1.191 372 P CA 0.495 63.614 63.100 0.032 0.000 0.771 372 P CB 0.050 31.770 31.700 0.032 0.000 0.929 373 L N -0.366 120.872 121.223 0.025 0.000 2.513 373 L HA 0.484 4.823 4.340 -0.001 0.000 0.261 373 L C -1.421 175.470 176.870 0.035 0.000 0.945 373 L CA -0.997 53.858 54.840 0.025 0.000 0.848 373 L CB 2.268 44.331 42.059 0.007 0.000 1.334 373 L HN -0.302 nan 8.230 nan 0.000 0.407 374 I N 4.734 125.334 120.570 0.049 0.000 2.404 374 I HA 0.542 4.712 4.170 -0.001 0.000 0.293 374 I C -0.785 175.385 176.117 0.089 0.000 0.992 374 I CA -0.877 60.464 61.300 0.068 0.000 1.149 374 I CB 2.017 40.063 38.000 0.076 0.000 1.315 374 I HN 0.265 nan 8.210 nan 0.000 0.446 375 V N 7.292 127.278 119.914 0.119 0.000 2.435 375 V HA 0.471 4.591 4.120 -0.001 0.000 0.290 375 V C -0.159 176.131 176.094 0.326 0.000 1.030 375 V CA -0.599 61.812 62.300 0.185 0.000 0.881 375 V CB 1.903 33.800 31.823 0.123 0.000 0.983 375 V HN 0.380 nan 8.190 nan 0.000 0.445 376 V N 3.554 123.621 119.914 0.255 0.000 2.735 376 V HA 0.815 4.934 4.120 -0.001 0.000 0.310 376 V C 0.213 176.295 176.094 -0.019 0.000 1.061 376 V CA -0.601 61.797 62.300 0.164 0.000 0.913 376 V CB 2.079 33.951 31.823 0.082 0.000 1.005 376 V HN 0.994 nan 8.190 nan 0.000 0.428 377 A N 2.710 125.327 122.820 -0.339 0.000 2.306 377 A HA 0.908 5.228 4.320 -0.001 0.000 0.314 377 A C -0.109 177.321 177.584 -0.257 0.000 1.164 377 A CA -0.347 51.395 52.037 -0.492 0.000 0.822 377 A CB 1.543 19.951 19.000 -0.988 0.000 1.130 377 A HN 0.954 nan 8.150 nan 0.000 0.496 378 T N -0.052 114.396 114.554 -0.177 0.000 3.087 378 T HA 0.290 4.639 4.350 -0.001 0.000 0.351 378 T C -0.115 174.529 174.700 -0.093 0.000 1.520 378 T CA -0.383 61.650 62.100 -0.112 0.000 1.111 378 T CB 1.499 70.329 68.868 -0.064 0.000 1.353 378 T HN 0.543 nan 8.240 nan 0.000 0.481 379 Q N 2.419 122.173 119.800 -0.077 0.000 2.178 379 Q HA 0.276 4.616 4.340 -0.001 0.000 0.195 379 Q C 1.888 177.858 176.000 -0.050 0.000 0.960 379 Q CA 1.921 57.684 55.803 -0.066 0.000 0.843 379 Q CB -0.172 28.530 28.738 -0.060 0.000 0.927 379 Q HN 0.885 nan 8.270 nan 0.000 0.487 380 G N -1.523 107.259 108.800 -0.030 0.000 3.020 380 G HA2 0.305 4.264 3.960 -0.001 0.000 0.217 380 G HA3 0.305 4.264 3.960 -0.001 0.000 0.217 380 G C 0.837 175.752 174.900 0.025 0.000 1.144 380 G CA 0.564 45.662 45.100 -0.002 0.000 0.760 380 G HN 0.526 nan 8.290 nan 0.000 0.548 381 G N 0.313 109.117 108.800 0.006 0.000 2.195 381 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.224 381 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.224 381 G C 1.117 176.033 174.900 0.026 0.000 0.990 381 G CA 0.822 45.937 45.100 0.025 0.000 0.639 381 G HN 0.499 nan 8.290 nan 0.000 0.514 382 K N 1.184 121.594 120.400 0.016 0.000 2.063 382 K HA -0.120 4.200 4.320 -0.001 0.000 0.208 382 K C 2.861 179.467 176.600 0.010 0.000 1.048 382 K CA 2.315 58.608 56.287 0.010 0.000 0.928 382 K CB -0.242 32.260 32.500 0.003 0.000 0.713 382 K HN 0.649 nan 8.250 nan 0.000 0.442 383 S N -0.011 115.691 115.700 0.004 0.000 2.406 383 S HA -0.028 4.442 4.470 -0.001 0.000 0.228 383 S C 2.153 176.768 174.600 0.024 0.000 1.020 383 S CA 0.744 58.954 58.200 0.016 0.000 0.965 383 S CB -0.123 63.080 63.200 0.005 0.000 0.798 383 S HN 0.360 nan 8.310 nan 0.000 0.488 384 A N 2.305 125.135 122.820 0.016 0.000 1.972 384 A HA -0.007 4.313 4.320 -0.001 0.000 0.219 384 A C 2.392 179.982 177.584 0.010 0.000 1.169 384 A CA 1.165 53.215 52.037 0.022 0.000 0.635 384 A CB -0.501 18.512 19.000 0.022 0.000 0.810 384 A HN 0.569 nan 8.150 nan 0.000 0.446 385 R N -0.783 119.719 120.500 0.002 0.000 2.093 385 R HA 0.055 4.394 4.340 -0.001 0.000 0.224 385 R C 2.447 178.719 176.300 -0.048 0.000 1.101 385 R CA 0.972 57.056 56.100 -0.027 0.000 0.979 385 R CB -0.391 29.899 30.300 -0.017 0.000 0.877 385 R HN 0.476 nan 8.270 nan 0.000 0.441 386 A N 0.739 123.555 122.820 -0.007 0.000 2.019 386 A HA -0.092 4.228 4.320 -0.001 0.000 0.219 386 A C 2.208 179.837 177.584 0.075 0.000 1.164 386 A CA 1.194 53.243 52.037 0.019 0.000 0.644 386 A CB -0.236 18.801 19.000 0.062 0.000 0.805 386 A HN 0.107 nan 8.150 nan 0.000 0.449 387 V N -0.038 119.925 119.914 0.082 0.000 2.649 387 V HA -0.087 4.033 4.120 -0.001 0.000 0.248 387 V C 2.575 178.715 176.094 0.076 0.000 1.054 387 V CA 1.543 63.939 62.300 0.160 0.000 1.073 387 V CB -0.623 31.271 31.823 0.118 0.000 0.699 387 V HN 0.641 nan 8.190 nan 0.000 0.463 388 R N 1.391 121.862 120.500 -0.049 0.000 2.237 388 R HA -0.132 4.208 4.340 -0.001 0.000 0.219 388 R C 2.072 178.154 176.300 -0.363 0.000 1.080 388 R CA 1.356 57.355 56.100 -0.169 0.000 0.995 388 R CB -0.357 29.844 30.300 -0.165 0.000 0.875 388 R HN 0.519 nan 8.270 nan 0.000 0.462 389 K N -0.052 120.119 120.400 -0.382 0.000 2.211 389 K HA -0.175 4.144 4.320 -0.001 0.000 0.204 389 K C 0.576 176.767 176.600 -0.681 0.000 1.047 389 K CA 1.517 57.457 56.287 -0.580 0.000 0.935 389 K CB -0.090 31.927 32.500 -0.805 0.000 0.728 389 K HN 0.260 nan 8.250 nan 0.000 0.452 390 Y N -0.837 119.472 120.300 0.014 0.000 2.493 390 Y HA 0.216 4.766 4.550 -0.000 0.000 0.275 390 Y C -0.553 175.511 175.900 0.273 0.000 1.183 390 Y CA -0.538 57.655 58.100 0.154 0.000 1.258 390 Y CB -0.144 38.379 38.460 0.104 0.000 1.108 390 Y HN -0.086 nan 8.280 nan 0.000 0.521 391 F N -0.664 119.330 119.950 0.074 0.000 2.969 391 F HA -0.216 4.310 4.527 -0.001 0.000 0.273 391 F C -2.144 173.707 175.800 0.085 0.000 0.986 391 F CA -1.123 56.916 58.000 0.065 0.000 0.926 391 F CB -1.828 37.199 39.000 0.045 0.000 0.887 391 F HN 0.040 nan 8.300 nan 0.000 0.816 392 P HA -0.063 nan 4.420 nan 0.000 0.267 392 P C 0.720 178.096 177.300 0.127 0.000 1.195 392 P CA 0.351 63.540 63.100 0.147 0.000 0.773 392 P CB 0.818 32.581 31.700 0.105 0.000 0.837 393 D N 0.415 120.876 120.400 0.103 0.000 2.137 393 D HA -0.010 4.629 4.640 -0.001 0.000 0.202 393 D C 1.044 177.384 176.300 0.067 0.000 0.970 393 D CA 0.776 54.824 54.000 0.081 0.000 0.837 393 D CB -0.470 40.369 40.800 0.066 0.000 0.981 393 D HN 0.427 nan 8.370 nan 0.000 0.475 394 A N 0.874 123.731 122.820 0.063 0.000 2.466 394 A HA 0.230 4.550 4.320 -0.001 0.000 0.238 394 A C 0.659 178.274 177.584 0.051 0.000 1.074 394 A CA 0.148 52.217 52.037 0.053 0.000 0.774 394 A CB 0.144 19.175 19.000 0.050 0.000 1.015 394 A HN 0.019 nan 8.150 nan 0.000 0.498 395 T N 1.301 115.881 114.554 0.043 0.000 2.899 395 T HA 0.421 4.770 4.350 -0.001 0.000 0.295 395 T C 0.161 174.886 174.700 0.041 0.000 1.033 395 T CA 0.338 62.462 62.100 0.039 0.000 1.084 395 T CB 0.128 69.016 68.868 0.033 0.000 0.979 395 T HN 0.372 nan 8.240 nan 0.000 0.532 396 I N 3.451 124.045 120.570 0.040 0.000 2.330 396 I HA 0.285 4.454 4.170 -0.001 0.000 0.289 396 I C -0.602 175.543 176.117 0.047 0.000 1.001 396 I CA -0.819 60.509 61.300 0.047 0.000 1.193 396 I CB 1.288 39.313 38.000 0.042 0.000 1.345 396 I HN 0.272 nan 8.210 nan 0.000 0.461 397 L N 7.765 129.022 121.223 0.057 0.000 2.259 397 L HA 0.618 4.958 4.340 -0.001 0.000 0.288 397 L C 0.047 176.962 176.870 0.074 0.000 1.051 397 L CA -0.226 54.648 54.840 0.057 0.000 0.824 397 L CB 0.750 42.839 42.059 0.049 0.000 1.206 397 L HN 0.640 nan 8.230 nan 0.000 0.429 398 A N 7.009 129.861 122.820 0.054 0.000 2.253 398 A HA 0.644 4.963 4.320 -0.001 0.000 0.316 398 A C -0.679 176.922 177.584 0.027 0.000 1.327 398 A CA -0.548 51.515 52.037 0.043 0.000 0.917 398 A CB 0.054 19.070 19.000 0.026 0.000 1.162 398 A HN 0.736 nan 8.150 nan 0.000 0.535 399 L N 2.177 123.416 121.223 0.027 0.000 2.307 399 L HA 0.747 5.087 4.340 -0.001 0.000 0.282 399 L C 0.508 177.349 176.870 -0.048 0.000 1.051 399 L CA -0.314 54.532 54.840 0.010 0.000 0.804 399 L CB 1.731 43.827 42.059 0.062 0.000 1.197 399 L HN 0.739 nan 8.230 nan 0.000 0.431 400 T N -0.909 113.617 114.554 -0.047 0.000 2.821 400 T HA 0.342 4.691 4.350 -0.001 0.000 0.306 400 T C 0.319 174.978 174.700 -0.069 0.000 1.313 400 T CA 0.127 62.184 62.100 -0.071 0.000 1.012 400 T CB 1.816 70.640 68.868 -0.073 0.000 1.298 400 T HN 0.742 nan 8.240 nan 0.000 0.502 401 T N -0.278 114.230 114.554 -0.076 0.000 3.044 401 T HA 0.314 4.663 4.350 -0.001 0.000 0.260 401 T C 0.454 175.104 174.700 -0.083 0.000 1.019 401 T CA -0.176 61.882 62.100 -0.071 0.000 0.921 401 T CB -0.516 68.315 68.868 -0.061 0.000 1.053 401 T HN 0.553 nan 8.240 nan 0.000 0.533 402 N N 1.125 119.767 118.700 -0.097 0.000 2.419 402 N HA 0.178 4.918 4.740 -0.001 0.000 0.264 402 N C 1.024 176.433 175.510 -0.168 0.000 1.031 402 N CA -0.420 52.561 53.050 -0.116 0.000 0.951 402 N CB 1.025 39.451 38.487 -0.103 0.000 1.101 402 N HN 0.192 nan 8.380 nan 0.000 0.488 403 E N 2.365 122.447 120.200 -0.197 0.000 2.106 403 E HA -0.221 4.128 4.350 -0.001 0.000 0.192 403 E C 1.208 177.501 176.600 -0.511 0.000 0.984 403 E CA 0.964 57.165 56.400 -0.331 0.000 0.806 403 E CB 0.132 29.670 29.700 -0.271 0.000 0.750 403 E HN 0.563 nan 8.360 nan 0.000 0.458 404 K N 0.546 120.764 120.400 -0.304 0.000 2.097 404 K HA -0.096 4.223 4.320 -0.001 0.000 0.206 404 K C 2.093 178.536 176.600 -0.263 0.000 1.049 404 K CA 1.467 57.599 56.287 -0.258 0.000 0.933 404 K CB -0.005 32.375 32.500 -0.199 0.000 0.717 404 K HN -0.025 nan 8.250 nan 0.000 0.442 405 T N 0.175 114.597 114.554 -0.220 0.000 2.732 405 T HA -0.063 4.287 4.350 -0.001 0.000 0.261 405 T C 1.802 176.421 174.700 -0.134 0.000 1.040 405 T CA 1.142 63.147 62.100 -0.160 0.000 1.145 405 T CB -0.421 68.381 68.868 -0.111 0.000 0.866 405 T HN 0.354 nan 8.240 nan 0.000 0.427 406 A N 1.549 124.268 122.820 -0.170 0.000 1.884 406 A HA -0.279 4.040 4.320 -0.001 0.000 0.219 406 A C 1.894 179.445 177.584 -0.056 0.000 1.197 406 A CA 2.331 54.293 52.037 -0.126 0.000 0.637 406 A CB -1.205 17.676 19.000 -0.199 0.000 0.827 406 A HN 0.737 nan 8.150 nan 0.000 0.450 407 H N -0.973 118.061 119.070 -0.060 0.000 2.290 407 H HA -0.159 4.397 4.556 -0.000 0.000 0.298 407 H C 2.459 177.777 175.328 -0.017 0.000 1.087 407 H CA 1.559 57.579 56.048 -0.046 0.000 1.291 407 H CB -0.146 29.565 29.762 -0.084 0.000 1.369 407 H HN 0.627 nan 8.280 nan 0.000 0.492 408 Q N 0.571 120.377 119.800 0.009 0.000 2.152 408 Q HA -0.149 4.190 4.340 -0.001 0.000 0.206 408 Q C 2.235 178.373 176.000 0.230 0.000 0.985 408 Q CA 1.091 56.898 55.803 0.008 0.000 0.863 408 Q CB -0.091 28.416 28.738 -0.386 0.000 0.904 408 Q HN 0.496 nan 8.270 nan 0.000 0.422 409 L N 0.196 121.492 121.223 0.120 0.000 2.450 409 L HA -0.142 4.198 4.340 -0.001 0.000 0.224 409 L C 2.053 178.996 176.870 0.122 0.000 1.149 409 L CA 0.207 55.115 54.840 0.113 0.000 0.816 409 L CB -0.216 41.878 42.059 0.057 0.000 0.932 409 L HN 0.139 nan 8.230 nan 0.000 0.449 410 V N -0.155 119.849 119.914 0.150 0.000 2.343 410 V HA -0.299 3.821 4.120 -0.001 0.000 0.247 410 V C 2.330 178.488 176.094 0.106 0.000 1.051 410 V CA 1.475 63.849 62.300 0.123 0.000 1.036 410 V CB -0.320 31.582 31.823 0.132 0.000 0.654 410 V HN 0.346 nan 8.190 nan 0.000 0.451 411 L N 0.054 121.363 121.223 0.144 0.000 2.261 411 L HA -0.019 4.320 4.340 -0.001 0.000 0.216 411 L C 1.413 178.303 176.870 0.033 0.000 1.114 411 L CA 1.190 56.061 54.840 0.051 0.000 0.777 411 L CB -0.536 41.489 42.059 -0.056 0.000 0.910 411 L HN 0.243 nan 8.230 nan 0.000 0.440 412 S N 0.170 115.904 115.700 0.058 0.000 2.565 412 S HA 0.110 4.580 4.470 -0.001 0.000 0.274 412 S C 0.094 174.693 174.600 -0.001 0.000 1.309 412 S CA -0.474 57.738 58.200 0.020 0.000 1.043 412 S CB 0.769 63.988 63.200 0.031 0.000 0.939 412 S HN 0.198 nan 8.310 nan 0.000 0.504 413 K N 1.691 122.070 120.400 -0.036 0.000 2.472 413 K HA 0.147 4.467 4.320 -0.001 0.000 0.280 413 K C 1.230 177.809 176.600 -0.034 0.000 1.028 413 K CA 0.860 57.123 56.287 -0.040 0.000 1.045 413 K CB -0.314 32.137 32.500 -0.082 0.000 0.902 413 K HN 0.893 nan 8.250 nan 0.000 0.478 414 G N 2.388 111.188 108.800 -0.000 0.000 2.244 414 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.274 414 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.274 414 G C 0.020 174.930 174.900 0.016 0.000 1.002 414 G CA 0.476 45.585 45.100 0.014 0.000 0.740 414 G HN 0.457 nan 8.290 nan 0.000 0.516 415 V N -0.312 119.612 119.914 0.017 0.000 2.644 415 V HA 0.582 4.701 4.120 -0.001 0.000 0.295 415 V C 0.517 176.632 176.094 0.034 0.000 1.053 415 V CA -0.668 61.648 62.300 0.026 0.000 0.987 415 V CB 2.056 33.895 31.823 0.027 0.000 1.006 415 V HN 0.153 nan 8.190 nan 0.000 0.472 416 V N 6.566 126.501 119.914 0.035 0.000 2.325 416 V HA 0.349 4.469 4.120 -0.001 0.000 0.280 416 V C -2.237 173.878 176.094 0.035 0.000 1.016 416 V CA -1.461 60.861 62.300 0.036 0.000 0.818 416 V CB 1.814 33.656 31.823 0.032 0.000 1.019 416 V HN 0.771 nan 8.190 nan 0.000 0.434 417 P HA 0.344 nan 4.420 nan 0.000 0.278 417 P C -1.125 176.188 177.300 0.022 0.000 1.238 417 P CA -0.466 62.650 63.100 0.026 0.000 0.794 417 P CB 1.580 33.297 31.700 0.028 0.000 0.955 418 Q N 1.761 121.569 119.800 0.012 0.000 2.268 418 Q HA 0.478 4.818 4.340 -0.001 0.000 0.266 418 Q C -1.910 174.085 176.000 -0.008 0.000 1.006 418 Q CA -0.815 54.993 55.803 0.008 0.000 0.824 418 Q CB 1.558 30.308 28.738 0.019 0.000 1.306 418 Q HN 0.295 nan 8.270 nan 0.000 0.424 419 L N 5.179 126.391 121.223 -0.018 0.000 2.305 419 L HA 0.707 5.046 4.340 -0.001 0.000 0.281 419 L C -1.001 175.856 176.870 -0.021 0.000 1.085 419 L CA -0.234 54.585 54.840 -0.036 0.000 0.813 419 L CB 1.434 43.461 42.059 -0.053 0.000 1.157 419 L HN 0.565 nan 8.230 nan 0.000 0.436 420 V N 2.161 122.059 119.914 -0.026 0.000 3.001 420 V HA 0.583 4.703 4.120 -0.001 0.000 0.314 420 V C 0.549 176.630 176.094 -0.022 0.000 1.099 420 V CA -0.313 61.979 62.300 -0.014 0.000 0.989 420 V CB 1.720 33.544 31.823 0.000 0.000 1.040 420 V HN 0.854 nan 8.190 nan 0.000 0.434 421 K N 1.211 121.602 120.400 -0.015 0.000 2.167 421 K HA 0.261 4.581 4.320 -0.001 0.000 0.203 421 K C 0.192 176.779 176.600 -0.022 0.000 1.052 421 K CA 1.107 57.383 56.287 -0.019 0.000 0.956 421 K CB 0.029 32.520 32.500 -0.014 0.000 0.735 421 K HN 0.954 nan 8.250 nan 0.000 0.451 422 E N 0.188 120.378 120.200 -0.018 0.000 2.388 422 E HA 0.406 4.755 4.350 -0.001 0.000 0.281 422 E C -1.364 175.226 176.600 -0.017 0.000 1.046 422 E CA -0.823 55.563 56.400 -0.022 0.000 0.825 422 E CB 1.164 30.853 29.700 -0.019 0.000 1.243 422 E HN 0.057 nan 8.360 nan 0.000 0.438 423 I N 2.415 122.967 120.570 -0.030 0.000 2.521 423 I HA 0.142 4.311 4.170 -0.001 0.000 0.277 423 I C 1.136 177.233 176.117 -0.034 0.000 1.054 423 I CA -0.480 60.804 61.300 -0.027 0.000 1.117 423 I CB 1.740 39.706 38.000 -0.058 0.000 1.217 423 I HN 0.904 nan 8.210 nan 0.000 0.469 424 T N 1.144 115.686 114.554 -0.020 0.000 2.821 424 T HA 0.011 4.360 4.350 -0.001 0.000 0.267 424 T C 0.755 175.439 174.700 -0.028 0.000 1.046 424 T CA 1.188 63.275 62.100 -0.022 0.000 1.139 424 T CB 0.119 68.979 68.868 -0.014 0.000 0.871 424 T HN 0.617 nan 8.240 nan 0.000 0.454 425 S N -1.923 113.758 115.700 -0.030 0.000 2.636 425 S HA 0.388 4.858 4.470 -0.001 0.000 0.266 425 S C 0.630 175.188 174.600 -0.070 0.000 1.147 425 S CA -0.092 58.083 58.200 -0.042 0.000 0.815 425 S CB 0.965 64.146 63.200 -0.030 0.000 1.119 425 S HN 0.009 nan 8.310 nan 0.000 0.470 426 T N 1.381 115.877 114.554 -0.097 0.000 2.746 426 T HA -0.051 4.299 4.350 -0.001 0.000 0.267 426 T C 0.904 175.369 174.700 -0.392 0.000 1.039 426 T CA 1.880 63.845 62.100 -0.225 0.000 1.142 426 T CB -0.693 68.070 68.868 -0.174 0.000 0.866 426 T HN 0.666 nan 8.240 nan 0.000 0.444 427 D N 0.771 121.067 120.400 -0.173 0.000 2.269 427 D HA -0.068 4.572 4.640 -0.001 0.000 0.208 427 D C 1.846 178.100 176.300 -0.076 0.000 0.963 427 D CA 0.764 54.714 54.000 -0.084 0.000 0.864 427 D CB -0.303 40.523 40.800 0.043 0.000 0.936 427 D HN 0.384 nan 8.370 nan 0.000 0.505 428 D N 0.191 120.554 120.400 -0.061 0.000 2.097 428 D HA -0.198 4.442 4.640 -0.001 0.000 0.195 428 D C 1.834 178.134 176.300 -0.001 0.000 0.989 428 D CA 0.596 54.584 54.000 -0.020 0.000 0.827 428 D CB -0.205 40.590 40.800 -0.007 0.000 0.966 428 D HN 0.033 nan 8.370 nan 0.000 0.456 429 F N 0.369 120.195 119.950 -0.207 0.000 2.126 429 F HA -0.222 4.304 4.527 -0.001 0.000 0.299 429 F C 1.600 177.336 175.800 -0.106 0.000 1.096 429 F CA 1.317 59.206 58.000 -0.185 0.000 1.255 429 F CB -0.991 37.841 39.000 -0.280 0.000 0.997 429 F HN 0.038 nan 8.300 nan 0.000 0.479 430 Y N 0.782 120.836 120.300 -0.410 0.000 2.224 430 Y HA -0.140 4.410 4.550 -0.001 0.000 0.289 430 Y C 2.832 178.454 175.900 -0.463 0.000 1.146 430 Y CA 1.449 59.142 58.100 -0.679 0.000 1.182 430 Y CB -1.288 36.857 38.460 -0.525 0.000 0.983 430 Y HN 0.134 nan 8.280 nan 0.000 0.524 431 R N 0.660 121.094 120.500 -0.110 0.000 2.066 431 R HA -0.153 4.187 4.340 -0.001 0.000 0.232 431 R C 2.202 178.454 176.300 -0.080 0.000 1.131 431 R CA 1.510 57.562 56.100 -0.080 0.000 0.955 431 R CB -0.808 29.474 30.300 -0.029 0.000 0.851 431 R HN 0.406 nan 8.270 nan 0.000 0.432 432 L N 1.050 122.243 121.223 -0.050 0.000 2.017 432 L HA 0.019 4.358 4.340 -0.001 0.000 0.208 432 L C 2.321 179.176 176.870 -0.024 0.000 1.073 432 L CA 2.447 57.282 54.840 -0.010 0.000 0.745 432 L CB -1.122 40.968 42.059 0.053 0.000 0.894 432 L HN 0.308 nan 8.230 nan 0.000 0.432 433 G N -0.732 108.022 108.800 -0.076 0.000 2.450 433 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.220 433 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.220 433 G C 1.678 176.501 174.900 -0.129 0.000 1.130 433 G CA 1.051 46.084 45.100 -0.112 0.000 0.760 433 G HN 0.448 nan 8.290 nan 0.000 0.557 434 K N 0.141 120.440 120.400 -0.168 0.000 2.007 434 K HA 0.001 4.321 4.320 -0.001 0.000 0.206 434 K C 2.450 179.005 176.600 -0.074 0.000 1.047 434 K CA 1.131 57.339 56.287 -0.133 0.000 0.937 434 K CB -0.163 32.245 32.500 -0.153 0.000 0.718 434 K HN 0.332 nan 8.250 nan 0.000 0.438 435 E N 0.964 121.131 120.200 -0.054 0.000 2.070 435 E HA -0.211 4.138 4.350 -0.001 0.000 0.197 435 E C 2.054 178.639 176.600 -0.026 0.000 1.004 435 E CA 1.187 57.569 56.400 -0.031 0.000 0.805 435 E CB -0.109 29.580 29.700 -0.019 0.000 0.744 435 E HN 0.218 nan 8.360 nan 0.000 0.451 436 L N 0.317 121.527 121.223 -0.020 0.000 2.093 436 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 436 L C 2.598 179.454 176.870 -0.023 0.000 1.085 436 L CA 0.759 55.593 54.840 -0.010 0.000 0.755 436 L CB -0.542 41.523 42.059 0.011 0.000 0.904 436 L HN 0.170 nan 8.230 nan 0.000 0.435 437 A N 0.496 123.294 122.820 -0.036 0.000 1.873 437 A HA -0.242 4.077 4.320 -0.001 0.000 0.218 437 A C 2.251 179.788 177.584 -0.078 0.000 1.193 437 A CA 1.799 53.805 52.037 -0.051 0.000 0.629 437 A CB -0.839 18.125 19.000 -0.061 0.000 0.826 437 A HN 0.354 nan 8.150 nan 0.000 0.447 438 L N -1.097 120.083 121.223 -0.071 0.000 2.017 438 L HA -0.256 4.083 4.340 -0.001 0.000 0.208 438 L C 2.965 179.799 176.870 -0.060 0.000 1.073 438 L CA 1.740 56.533 54.840 -0.079 0.000 0.745 438 L CB -0.641 41.391 42.059 -0.045 0.000 0.894 438 L HN 0.508 nan 8.230 nan 0.000 0.432 439 Q N -0.605 119.176 119.800 -0.033 0.000 2.181 439 Q HA -0.218 4.121 4.340 -0.001 0.000 0.205 439 Q C 2.220 178.208 176.000 -0.020 0.000 0.980 439 Q CA 1.809 57.602 55.803 -0.017 0.000 0.862 439 Q CB -0.236 28.498 28.738 -0.006 0.000 0.905 439 Q HN 0.530 nan 8.270 nan 0.000 0.429 440 S N -0.545 115.135 115.700 -0.033 0.000 2.603 440 S HA 0.027 4.497 4.470 -0.001 0.000 0.229 440 S C 1.519 176.097 174.600 -0.037 0.000 0.972 440 S CA 0.586 58.770 58.200 -0.026 0.000 0.935 440 S CB -0.251 62.935 63.200 -0.024 0.000 0.769 440 S HN 0.556 nan 8.310 nan 0.000 0.536 441 G N 0.998 109.756 108.800 -0.070 0.000 2.200 441 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.267 441 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.267 441 G C 0.571 175.398 174.900 -0.122 0.000 0.993 441 G CA 0.792 45.847 45.100 -0.075 0.000 0.701 441 G HN 0.589 nan 8.290 nan 0.000 0.524 442 L N -0.867 120.274 121.223 -0.136 0.000 2.418 442 L HA 0.502 4.842 4.340 -0.001 0.000 0.218 442 L C 1.499 178.276 176.870 -0.154 0.000 1.125 442 L CA 1.016 55.799 54.840 -0.094 0.000 0.835 442 L CB -0.176 41.855 42.059 -0.045 0.000 0.953 442 L HN 0.606 nan 8.230 nan 0.000 0.454 443 A N -1.616 120.998 122.820 -0.344 0.000 2.609 443 A HA 0.708 5.027 4.320 -0.001 0.000 0.291 443 A C -1.511 175.643 177.584 -0.715 0.000 1.096 443 A CA -0.521 51.302 52.037 -0.356 0.000 0.684 443 A CB 1.119 20.031 19.000 -0.147 0.000 1.282 443 A HN 0.190 nan 8.150 nan 0.000 0.412 444 H N 0.352 119.427 119.070 0.007 0.000 2.907 444 H HA 0.462 5.017 4.556 -0.001 0.000 0.361 444 H C -0.564 174.766 175.328 0.004 0.000 1.194 444 H CA -0.924 55.128 56.048 0.006 0.000 1.152 444 H CB 0.987 30.752 29.762 0.006 0.000 1.867 444 H HN 0.568 nan 8.280 nan 0.000 0.561 445 K N 0.821 121.306 120.400 0.143 0.000 2.550 445 K HA 0.109 4.429 4.320 -0.001 0.000 0.280 445 K C 0.829 177.470 176.600 0.068 0.000 0.987 445 K CA 1.277 57.607 56.287 0.072 0.000 1.048 445 K CB 0.174 32.707 32.500 0.054 0.000 0.879 445 K HN 1.018 nan 8.250 nan 0.000 0.491 446 G N 2.338 111.163 108.800 0.042 0.000 2.176 446 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.253 446 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.253 446 G C -0.205 174.717 174.900 0.035 0.000 0.979 446 G CA -0.012 45.108 45.100 0.034 0.000 0.641 446 G HN 0.655 nan 8.290 nan 0.000 0.530 447 D N 0.213 120.637 120.400 0.041 0.000 2.283 447 D HA 0.506 5.146 4.640 -0.001 0.000 0.248 447 D C 0.713 177.024 176.300 0.018 0.000 1.072 447 D CA -0.272 53.748 54.000 0.033 0.000 0.929 447 D CB 2.042 42.865 40.800 0.039 0.000 1.182 447 D HN 0.089 nan 8.370 nan 0.000 0.433 448 V N 1.584 121.507 119.914 0.014 0.000 2.732 448 V HA 0.267 4.387 4.120 -0.001 0.000 0.297 448 V C 0.494 176.594 176.094 0.011 0.000 1.060 448 V CA -0.343 61.962 62.300 0.008 0.000 1.038 448 V CB 1.790 33.613 31.823 0.001 0.000 1.003 448 V HN 0.233 nan 8.190 nan 0.000 0.481 449 V N 4.255 124.178 119.914 0.015 0.000 2.962 449 V HA 0.538 4.658 4.120 -0.001 0.000 0.313 449 V C -0.707 175.401 176.094 0.024 0.000 1.099 449 V CA -0.496 61.812 62.300 0.014 0.000 0.971 449 V CB 2.696 34.517 31.823 -0.004 0.000 1.028 449 V HN 0.584 nan 8.190 nan 0.000 0.430 450 V N 5.577 125.510 119.914 0.031 0.000 2.409 450 V HA 0.521 4.641 4.120 -0.001 0.000 0.291 450 V C -0.177 175.963 176.094 0.076 0.000 1.020 450 V CA -0.382 61.942 62.300 0.041 0.000 0.848 450 V CB 1.524 33.370 31.823 0.038 0.000 0.990 450 V HN 0.774 nan 8.190 nan 0.000 0.430 451 M N 5.242 124.897 119.600 0.093 0.000 2.227 451 M HA 0.627 5.106 4.480 -0.001 0.000 0.335 451 M C -1.055 175.474 176.300 0.382 0.000 1.053 451 M CA -0.650 54.763 55.300 0.188 0.000 0.973 451 M CB 2.071 34.632 32.600 -0.065 0.000 1.623 451 M HN 0.345 nan 8.290 nan 0.000 0.434 452 V N 2.287 122.472 119.914 0.453 0.000 2.769 452 V HA 0.832 4.952 4.120 -0.001 0.000 0.312 452 V C -0.197 176.065 176.094 0.280 0.000 1.061 452 V CA -0.215 62.286 62.300 0.335 0.000 0.931 452 V CB 2.210 34.145 31.823 0.187 0.000 1.010 452 V HN 1.115 nan 8.190 nan 0.000 0.433 453 S N 2.256 118.058 115.700 0.171 0.000 2.694 453 S HA 0.772 5.242 4.470 -0.001 0.000 0.273 453 S C -0.483 174.115 174.600 -0.004 0.000 1.180 453 S CA -0.243 57.928 58.200 -0.048 0.000 0.864 453 S CB 1.361 64.462 63.200 -0.166 0.000 1.198 453 S HN 1.259 nan 8.310 nan 0.000 0.499 454 G N -0.420 108.343 108.800 -0.061 0.000 2.461 454 G HA2 0.788 4.748 3.960 -0.001 0.000 0.323 454 G HA3 0.788 4.748 3.960 -0.001 0.000 0.323 454 G C -0.797 174.086 174.900 -0.029 0.000 1.229 454 G CA -0.489 44.595 45.100 -0.027 0.000 0.941 454 G HN 1.332 nan 8.290 nan 0.000 0.477 455 A N 2.281 125.100 122.820 -0.000 0.000 2.359 455 A HA 0.652 4.972 4.320 -0.001 0.000 0.303 455 A C 0.483 178.067 177.584 0.001 0.000 1.066 455 A CA -0.669 51.369 52.037 0.001 0.000 0.730 455 A CB 0.473 19.491 19.000 0.030 0.000 1.211 455 A HN 1.521 nan 8.150 nan 0.000 0.439 456 L N 1.198 122.416 121.223 -0.009 0.000 3.879 456 L HA -0.208 4.131 4.340 -0.001 0.000 0.481 456 L C -0.140 176.726 176.870 -0.006 0.000 1.232 456 L CA 0.466 55.302 54.840 -0.007 0.000 0.736 456 L CB -2.338 39.721 42.059 -0.000 0.000 1.511 456 L HN 0.937 nan 8.230 nan 0.000 0.830 457 V N -2.658 117.249 119.914 -0.012 0.000 2.969 457 V HA 0.781 4.900 4.120 -0.001 0.000 0.304 457 V C -2.011 174.071 176.094 -0.019 0.000 1.192 457 V CA -1.545 60.748 62.300 -0.011 0.000 0.962 457 V CB 1.652 33.471 31.823 -0.006 0.000 1.045 457 V HN 0.119 nan 8.190 nan 0.000 0.428 458 P HA 0.280 nan 4.420 nan 0.000 0.271 458 P C 0.131 177.416 177.300 -0.025 0.000 1.233 458 P CA 0.066 63.153 63.100 -0.021 0.000 0.789 458 P CB 0.439 32.128 31.700 -0.017 0.000 0.951 459 S N -0.779 114.903 115.700 -0.030 0.000 2.566 459 S HA 0.357 4.827 4.470 -0.001 0.000 0.280 459 S C 1.357 175.943 174.600 -0.022 0.000 1.343 459 S CA 0.364 58.545 58.200 -0.032 0.000 1.036 459 S CB -0.204 62.976 63.200 -0.034 0.000 0.866 459 S HN 1.043 nan 8.310 nan 0.000 0.526 460 G N 0.871 109.660 108.800 -0.019 0.000 2.179 460 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.220 460 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.220 460 G C -0.038 174.858 174.900 -0.006 0.000 0.990 460 G CA -0.093 45.000 45.100 -0.012 0.000 0.646 460 G HN 1.078 nan 8.290 nan 0.000 0.517 461 T N 0.690 115.239 114.554 -0.008 0.000 2.879 461 T HA 0.600 4.950 4.350 -0.001 0.000 0.290 461 T C -0.550 174.151 174.700 0.002 0.000 0.993 461 T CA -0.240 61.861 62.100 0.001 0.000 0.975 461 T CB 2.175 71.044 68.868 0.001 0.000 0.981 461 T HN 0.178 nan 8.240 nan 0.000 0.439 462 T N 3.825 118.389 114.554 0.015 0.000 2.821 462 T HA 0.363 4.713 4.350 -0.001 0.000 0.307 462 T C 0.724 175.446 174.700 0.036 0.000 1.034 462 T CA -0.831 61.283 62.100 0.024 0.000 0.953 462 T CB 0.169 69.058 68.868 0.035 0.000 0.968 462 T HN 0.736 nan 8.240 nan 0.000 0.462 463 N N 0.910 119.633 118.700 0.040 0.000 2.241 463 N HA 0.093 4.833 4.740 -0.001 0.000 0.238 463 N C -0.639 174.910 175.510 0.064 0.000 1.244 463 N CA -0.497 52.580 53.050 0.045 0.000 0.880 463 N CB 0.861 39.368 38.487 0.033 0.000 1.179 463 N HN 0.342 nan 8.380 nan 0.000 0.513 464 T N 0.325 114.935 114.554 0.092 0.000 3.071 464 T HA 0.757 5.106 4.350 -0.001 0.000 0.311 464 T C -1.359 173.445 174.700 0.174 0.000 1.042 464 T CA -0.587 61.594 62.100 0.135 0.000 1.028 464 T CB 1.837 70.807 68.868 0.170 0.000 1.068 464 T HN 0.342 nan 8.240 nan 0.000 0.451 465 A N 1.993 124.899 122.820 0.142 0.000 2.386 465 A HA 0.925 5.245 4.320 -0.001 0.000 0.311 465 A C -0.433 177.187 177.584 0.059 0.000 1.068 465 A CA -0.848 51.260 52.037 0.119 0.000 0.743 465 A CB 1.798 20.837 19.000 0.064 0.000 1.258 465 A HN 0.734 nan 8.150 nan 0.000 0.429 466 S N 1.277 116.980 115.700 0.005 0.000 2.572 466 S HA 0.570 5.040 4.470 -0.001 0.000 0.274 466 S C -1.184 173.312 174.600 -0.174 0.000 1.150 466 S CA -0.395 57.695 58.200 -0.185 0.000 0.944 466 S CB 1.203 64.102 63.200 -0.503 0.000 1.071 466 S HN 0.978 nan 8.310 nan 0.000 0.479 467 V N 6.585 126.333 119.914 -0.277 0.000 2.465 467 V HA 0.575 4.695 4.120 -0.001 0.000 0.279 467 V C -0.186 175.658 176.094 -0.416 0.000 1.045 467 V CA -0.272 61.901 62.300 -0.212 0.000 0.938 467 V CB 1.045 32.773 31.823 -0.159 0.000 0.986 467 V HN 0.890 nan 8.190 nan 0.000 0.467 468 H N 2.232 121.209 119.070 -0.155 0.000 2.961 468 H HA 0.542 5.098 4.556 -0.001 0.000 0.371 468 H C -1.298 173.979 175.328 -0.086 0.000 1.190 468 H CA -0.702 55.264 56.048 -0.135 0.000 1.138 468 H CB 2.493 32.155 29.762 -0.167 0.000 1.816 468 H HN 0.383 nan 8.280 nan 0.000 0.551 469 V N 3.422 123.375 119.914 0.065 0.000 2.427 469 V HA 0.170 4.290 4.120 -0.001 0.000 0.286 469 V C 0.827 176.939 176.094 0.030 0.000 1.034 469 V CA -0.593 61.724 62.300 0.028 0.000 0.893 469 V CB 1.428 33.255 31.823 0.008 0.000 0.982 469 V HN 0.461 nan 8.190 nan 0.000 0.452 470 L N 0.000 121.233 121.223 0.016 0.000 2.949 470 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 470 L CA 0.000 54.842 54.840 0.003 0.000 0.813 470 L CB 0.000 42.055 42.059 -0.007 0.000 0.961 470 L HN 0.000 nan 8.230 nan 0.000 0.502