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_C 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 3.309 123.728 120.400 0.033 0.000 2.230 2 K HA 0.336 4.656 4.320 -0.000 0.000 0.253 2 K C -0.491 176.132 176.600 0.038 0.000 1.008 2 K CA -0.418 55.890 56.287 0.035 0.000 0.910 2 K CB 1.038 33.557 32.500 0.032 0.000 0.994 2 K HN 0.877 nan 8.250 nan 0.000 0.495 3 K N 0.156 120.582 120.400 0.043 0.000 2.380 3 K HA 0.063 4.382 4.320 -0.000 0.000 0.200 3 K C -0.110 176.513 176.600 0.038 0.000 1.201 3 K CA 0.106 56.418 56.287 0.043 0.000 0.916 3 K CB 0.666 33.199 32.500 0.055 0.000 1.187 3 K HN 0.629 nan 8.250 nan 0.000 0.498 4 T N 3.314 117.894 114.554 0.044 0.000 2.928 4 T HA 0.052 4.402 4.350 -0.000 0.000 0.305 4 T C 0.043 174.760 174.700 0.029 0.000 1.035 4 T CA 0.364 62.488 62.100 0.039 0.000 1.145 4 T CB 0.538 69.433 68.868 0.045 0.000 0.963 4 T HN -0.115 nan 8.240 nan 0.000 0.545 5 K N 2.724 123.137 120.400 0.022 0.000 2.098 5 K HA 0.517 4.837 4.320 -0.000 0.000 0.261 5 K C -0.122 176.487 176.600 0.015 0.000 0.987 5 K CA -0.625 55.674 56.287 0.020 0.000 0.916 5 K CB 1.316 33.826 32.500 0.017 0.000 1.039 5 K HN 0.504 nan 8.250 nan 0.000 0.455 6 I N 1.862 122.443 120.570 0.018 0.000 2.382 6 I HA 0.180 4.349 4.170 -0.000 0.000 0.286 6 I C -0.493 175.634 176.117 0.017 0.000 1.002 6 I CA -1.088 60.222 61.300 0.017 0.000 1.135 6 I CB 1.763 39.776 38.000 0.021 0.000 1.288 6 I HN 0.017 nan 8.210 nan 0.000 0.448 7 V N 5.642 125.562 119.914 0.011 0.000 2.407 7 V HA 0.280 4.400 4.120 -0.000 0.000 0.278 7 V C -0.185 175.923 176.094 0.023 0.000 1.037 7 V CA -0.364 61.944 62.300 0.014 0.000 0.900 7 V CB 1.276 33.097 31.823 -0.003 0.000 0.983 7 V HN 0.782 nan 8.190 nan 0.000 0.459 8 C N 3.572 122.891 119.300 0.031 0.000 2.379 8 C HA 0.526 4.985 4.460 -0.000 0.000 0.323 8 C C 0.765 175.781 174.990 0.043 0.000 1.262 8 C CA -0.575 58.464 59.018 0.034 0.000 1.581 8 C CB 1.339 29.099 27.740 0.034 0.000 2.221 8 C HN 0.904 nan 8.230 nan 0.000 0.497 9 T N 5.186 119.767 114.554 0.044 0.000 2.814 9 T HA 0.309 4.659 4.350 -0.000 0.000 0.297 9 T C 0.120 174.850 174.700 0.049 0.000 0.956 9 T CA -0.057 62.076 62.100 0.055 0.000 1.123 9 T CB 0.079 68.981 68.868 0.056 0.000 0.902 9 T HN 0.343 nan 8.240 nan 0.000 0.528 10 I N 3.263 123.867 120.570 0.057 0.000 2.359 10 I HA 0.535 4.705 4.170 -0.000 0.000 0.294 10 I C 0.933 177.068 176.117 0.030 0.000 0.987 10 I CA -0.295 61.030 61.300 0.042 0.000 1.225 10 I CB 0.963 38.993 38.000 0.052 0.000 1.366 10 I HN 0.765 nan 8.210 nan 0.000 0.466 11 G N 6.484 115.286 108.800 0.003 0.000 3.209 11 G HA2 0.562 4.522 3.960 -0.000 0.000 0.236 11 G HA3 0.562 4.522 3.960 -0.000 0.000 0.236 11 G C -2.382 172.496 174.900 -0.038 0.000 1.329 11 G CA -0.763 44.322 45.100 -0.026 0.000 1.015 11 G HN 0.327 nan 8.290 nan 0.000 0.571 12 P HA 0.033 nan 4.420 nan 0.000 0.219 12 P C 1.521 178.793 177.300 -0.048 0.000 1.150 12 P CA 1.140 64.204 63.100 -0.060 0.000 0.814 12 P CB 0.296 31.949 31.700 -0.078 0.000 0.787 13 K N -0.395 119.976 120.400 -0.048 0.000 2.296 13 K HA -0.021 4.298 4.320 -0.000 0.000 0.200 13 K C 1.134 177.715 176.600 -0.031 0.000 1.048 13 K CA 1.441 57.701 56.287 -0.045 0.000 0.966 13 K CB -0.147 32.320 32.500 -0.055 0.000 0.754 13 K HN 0.167 nan 8.250 nan 0.000 0.466 14 T N -2.297 112.244 114.554 -0.022 0.000 3.044 14 T HA 0.034 4.384 4.350 -0.000 0.000 0.260 14 T C 1.177 175.876 174.700 -0.002 0.000 1.019 14 T CA -0.075 62.020 62.100 -0.009 0.000 0.921 14 T CB 0.251 69.119 68.868 -0.000 0.000 1.053 14 T HN 0.386 nan 8.240 nan 0.000 0.533 15 E N 2.391 122.587 120.200 -0.007 0.000 2.427 15 E HA 0.004 4.354 4.350 -0.000 0.000 0.196 15 E C 1.187 177.789 176.600 0.004 0.000 1.028 15 E CA 0.238 56.639 56.400 0.002 0.000 0.864 15 E CB -0.166 29.532 29.700 -0.003 0.000 0.813 15 E HN 0.545 nan 8.360 nan 0.000 0.514 16 S N 0.446 116.145 115.700 -0.001 0.000 2.598 16 S HA -0.048 4.422 4.470 -0.000 0.000 0.256 16 S C 0.945 175.549 174.600 0.006 0.000 1.350 16 S CA -0.094 58.107 58.200 0.001 0.000 0.984 16 S CB 1.058 64.257 63.200 -0.003 0.000 0.930 16 S HN 0.306 nan 8.310 nan 0.000 0.577 17 E N 0.471 120.675 120.200 0.007 0.000 2.158 17 E HA -0.099 4.250 4.350 -0.000 0.000 0.191 17 E C 1.902 178.507 176.600 0.009 0.000 0.982 17 E CA 1.033 57.438 56.400 0.009 0.000 0.823 17 E CB -0.180 29.526 29.700 0.009 0.000 0.766 17 E HN 0.734 nan 8.360 nan 0.000 0.468 18 E N 0.622 120.826 120.200 0.006 0.000 2.085 18 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 18 E C 1.812 178.416 176.600 0.007 0.000 0.994 18 E CA 1.152 57.555 56.400 0.006 0.000 0.801 18 E CB -0.034 29.668 29.700 0.003 0.000 0.743 18 E HN 0.075 nan 8.360 nan 0.000 0.453 19 M N -0.175 119.429 119.600 0.005 0.000 2.098 19 M HA -0.016 4.463 4.480 -0.000 0.000 0.262 19 M C 1.815 178.122 176.300 0.011 0.000 1.072 19 M CA 1.368 56.672 55.300 0.007 0.000 1.133 19 M CB -0.320 32.282 32.600 0.002 0.000 1.344 19 M HN 0.085 nan 8.290 nan 0.000 0.414 20 L N -0.619 120.611 121.223 0.012 0.000 2.081 20 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 20 L C 2.436 179.315 176.870 0.015 0.000 1.080 20 L CA 1.390 56.239 54.840 0.015 0.000 0.754 20 L CB -1.197 40.872 42.059 0.016 0.000 0.893 20 L HN 0.390 nan 8.230 nan 0.000 0.433 21 A N -0.094 122.734 122.820 0.013 0.000 1.898 21 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 21 A C 2.329 179.922 177.584 0.015 0.000 1.181 21 A CA 1.654 53.699 52.037 0.014 0.000 0.620 21 A CB -0.341 18.666 19.000 0.012 0.000 0.819 21 A HN 0.293 nan 8.150 nan 0.000 0.442 22 K N -0.780 119.629 120.400 0.015 0.000 2.209 22 K HA -0.061 4.259 4.320 -0.000 0.000 0.204 22 K C 2.052 178.664 176.600 0.019 0.000 1.048 22 K CA 1.540 57.836 56.287 0.016 0.000 0.940 22 K CB -0.208 32.302 32.500 0.016 0.000 0.729 22 K HN 0.535 nan 8.250 nan 0.000 0.451 23 M N 0.192 119.803 119.600 0.019 0.000 2.160 23 M HA -0.089 4.391 4.480 -0.000 0.000 0.264 23 M C 2.112 178.425 176.300 0.023 0.000 1.073 23 M CA 1.333 56.646 55.300 0.022 0.000 1.142 23 M CB -0.541 32.073 32.600 0.023 0.000 1.358 23 M HN 0.103 nan 8.290 nan 0.000 0.422 24 L N 0.459 121.695 121.223 0.021 0.000 2.051 24 L HA -0.279 4.061 4.340 -0.000 0.000 0.214 24 L C 2.141 179.025 176.870 0.022 0.000 1.076 24 L CA 1.239 56.093 54.840 0.022 0.000 0.758 24 L CB -0.901 41.171 42.059 0.020 0.000 0.890 24 L HN 0.304 nan 8.230 nan 0.000 0.433 25 D N 0.008 120.421 120.400 0.021 0.000 2.117 25 D HA -0.137 4.502 4.640 -0.000 0.000 0.197 25 D C 2.118 178.431 176.300 0.022 0.000 0.987 25 D CA 1.504 55.517 54.000 0.021 0.000 0.829 25 D CB 0.046 40.858 40.800 0.019 0.000 0.961 25 D HN 0.314 nan 8.370 nan 0.000 0.460 26 A N -0.909 121.924 122.820 0.022 0.000 2.206 26 A HA 0.347 4.667 4.320 -0.000 0.000 0.211 26 A C 1.732 179.330 177.584 0.023 0.000 1.158 26 A CA 1.550 53.600 52.037 0.023 0.000 0.761 26 A CB 0.054 19.068 19.000 0.024 0.000 0.801 26 A HN 0.327 nan 8.150 nan 0.000 0.473 27 G N -2.208 106.607 108.800 0.024 0.000 2.318 27 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.172 27 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.172 27 G C 0.254 175.169 174.900 0.026 0.000 1.002 27 G CA -0.017 45.098 45.100 0.025 0.000 0.697 27 G HN 0.418 nan 8.290 nan 0.000 0.483 28 M N 1.199 120.815 119.600 0.026 0.000 2.248 28 M HA 0.286 4.766 4.480 -0.000 0.000 0.343 28 M C 1.081 177.399 176.300 0.030 0.000 1.243 28 M CA 1.384 56.700 55.300 0.028 0.000 1.025 28 M CB 0.191 32.807 32.600 0.027 0.000 1.759 28 M HN 0.282 nan 8.290 nan 0.000 0.452 29 N N 2.072 120.792 118.700 0.033 0.000 2.325 29 N HA 0.225 4.965 4.740 -0.000 0.000 0.220 29 N C -1.245 174.293 175.510 0.047 0.000 1.176 29 N CA -0.277 52.797 53.050 0.040 0.000 0.861 29 N CB 1.106 39.618 38.487 0.042 0.000 1.230 29 N HN 0.356 nan 8.380 nan 0.000 0.479 30 V N 1.456 121.396 119.914 0.043 0.000 2.841 30 V HA 0.357 4.477 4.120 -0.000 0.000 0.310 30 V C -1.075 175.050 176.094 0.051 0.000 1.090 30 V CA -0.737 61.596 62.300 0.056 0.000 0.930 30 V CB 2.436 34.293 31.823 0.057 0.000 1.014 30 V HN 0.164 nan 8.190 nan 0.000 0.425 31 M N 4.890 124.527 119.600 0.061 0.000 2.108 31 M HA 0.548 5.028 4.480 -0.000 0.000 0.354 31 M C -0.199 176.153 176.300 0.086 0.000 1.229 31 M CA -0.397 54.942 55.300 0.065 0.000 1.081 31 M CB 0.580 33.218 32.600 0.062 0.000 1.606 31 M HN 0.770 nan 8.290 nan 0.000 0.467 32 R N 5.550 126.102 120.500 0.086 0.000 2.346 32 R HA 0.612 4.952 4.340 -0.000 0.000 0.311 32 R C -1.927 174.449 176.300 0.127 0.000 0.983 32 R CA -0.536 55.626 56.100 0.103 0.000 0.880 32 R CB 0.979 31.327 30.300 0.080 0.000 1.100 32 R HN 0.823 nan 8.270 nan 0.000 0.453 33 L N 3.984 125.309 121.223 0.170 0.000 2.287 33 L HA 0.341 4.681 4.340 -0.000 0.000 0.287 33 L C -0.372 176.621 176.870 0.204 0.000 1.022 33 L CA -0.975 53.980 54.840 0.192 0.000 0.814 33 L CB 1.589 43.801 42.059 0.257 0.000 1.217 33 L HN 0.649 nan 8.230 nan 0.000 0.420 34 N N 2.678 121.462 118.700 0.138 0.000 2.500 34 N HA 0.171 4.911 4.740 -0.000 0.000 0.236 34 N C 0.139 175.684 175.510 0.058 0.000 1.022 34 N CA -0.182 52.945 53.050 0.128 0.000 0.935 34 N CB 0.475 39.034 38.487 0.120 0.000 1.147 34 N HN 0.344 nan 8.380 nan 0.000 0.512 35 F N 1.297 121.242 119.950 -0.008 0.000 2.802 35 F HA 0.084 4.611 4.527 -0.000 0.000 0.300 35 F C 2.074 177.818 175.800 -0.092 0.000 1.168 35 F CA 0.190 58.169 58.000 -0.034 0.000 1.433 35 F CB 0.140 39.100 39.000 -0.067 0.000 1.115 35 F HN 0.456 nan 8.300 nan 0.000 0.582 36 S N -1.214 114.434 115.700 -0.086 0.000 2.442 36 S HA -0.092 4.378 4.470 -0.000 0.000 0.236 36 S C 0.385 174.569 174.600 -0.693 0.000 1.007 36 S CA 0.899 58.866 58.200 -0.389 0.000 0.965 36 S CB -0.357 62.514 63.200 -0.548 0.000 0.773 36 S HN 0.381 nan 8.310 nan 0.000 0.504 37 H N -1.836 117.204 119.070 -0.049 0.000 2.933 37 H HA 0.515 5.071 4.556 -0.000 0.000 0.310 37 H C 0.390 175.595 175.328 -0.206 0.000 1.351 37 H CA -0.375 55.609 56.048 -0.107 0.000 1.137 37 H CB 0.803 30.505 29.762 -0.101 0.000 1.853 37 H HN 0.279 nan 8.280 nan 0.000 0.539 38 G N 1.101 109.836 108.800 -0.108 0.000 2.814 38 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.677 38 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.677 38 G C -0.902 173.769 174.900 -0.382 0.000 1.429 38 G CA 0.025 44.913 45.100 -0.354 0.000 0.868 38 G HN 0.960 nan 8.290 nan 0.000 0.553 39 D N -1.363 118.785 120.400 -0.420 0.000 2.467 39 D HA 0.569 5.208 4.640 -0.000 0.000 0.245 39 D C 0.990 177.090 176.300 -0.334 0.000 1.038 39 D CA -0.932 52.825 54.000 -0.404 0.000 1.038 39 D CB 0.335 40.979 40.800 -0.261 0.000 1.278 39 D HN 0.306 nan 8.370 nan 0.000 0.564 40 Y N -0.222 119.989 120.300 -0.149 0.000 2.293 40 Y HA 0.091 4.641 4.550 -0.000 0.000 0.291 40 Y C 2.498 178.394 175.900 -0.007 0.000 1.137 40 Y CA 1.334 59.283 58.100 -0.251 0.000 1.202 40 Y CB -0.872 37.422 38.460 -0.275 0.000 0.990 40 Y HN 0.576 nan 8.280 nan 0.000 0.537 41 A N -0.108 122.785 122.820 0.122 0.000 2.021 41 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 41 A C 2.023 179.650 177.584 0.073 0.000 1.163 41 A CA 0.994 53.108 52.037 0.128 0.000 0.676 41 A CB -0.346 18.701 19.000 0.079 0.000 0.818 41 A HN 0.472 nan 8.150 nan 0.000 0.453 42 E N -0.618 119.558 120.200 -0.040 0.000 2.047 42 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 42 E C 1.792 178.373 176.600 -0.031 0.000 0.987 42 E CA 1.343 57.682 56.400 -0.101 0.000 0.799 42 E CB -0.392 29.164 29.700 -0.241 0.000 0.752 42 E HN 0.821 nan 8.360 nan 0.000 0.449 43 H N -0.002 119.084 119.070 0.026 0.000 2.319 43 H HA -0.119 4.437 4.556 -0.000 0.000 0.297 43 H C 2.346 177.869 175.328 0.325 0.000 1.097 43 H CA 1.143 57.283 56.048 0.153 0.000 1.285 43 H CB -0.302 29.549 29.762 0.148 0.000 1.368 43 H HN 0.258 nan 8.280 nan 0.000 0.495 44 G N -0.124 108.995 108.800 0.533 0.000 2.442 44 G HA2 -0.345 3.614 3.960 -0.000 0.000 0.219 44 G HA3 -0.345 3.614 3.960 -0.000 0.000 0.219 44 G C 1.672 176.695 174.900 0.206 0.000 1.141 44 G CA 1.060 46.403 45.100 0.406 0.000 0.763 44 G HN 0.294 nan 8.290 nan 0.000 0.554 45 Q N 0.203 120.096 119.800 0.155 0.000 2.083 45 Q HA 0.123 4.463 4.340 -0.000 0.000 0.198 45 Q C 2.549 178.599 176.000 0.084 0.000 0.969 45 Q CA 1.137 56.994 55.803 0.091 0.000 0.838 45 Q CB -0.348 28.426 28.738 0.060 0.000 0.900 45 Q HN 0.468 nan 8.270 nan 0.000 0.436 46 R N -0.521 120.042 120.500 0.104 0.000 2.091 46 R HA -0.072 4.268 4.340 -0.000 0.000 0.238 46 R C 2.194 178.552 176.300 0.096 0.000 1.136 46 R CA 1.589 57.745 56.100 0.094 0.000 0.959 46 R CB -0.291 30.082 30.300 0.120 0.000 0.856 46 R HN 0.335 nan 8.270 nan 0.000 0.437 47 I N -0.048 120.601 120.570 0.131 0.000 2.252 47 I HA -0.266 3.903 4.170 -0.000 0.000 0.245 47 I C 2.483 178.628 176.117 0.046 0.000 1.102 47 I CA 1.064 62.416 61.300 0.087 0.000 1.385 47 I CB -0.167 37.881 38.000 0.080 0.000 1.064 47 I HN 0.204 nan 8.210 nan 0.000 0.414 48 Q N 1.290 121.123 119.800 0.055 0.000 2.084 48 Q HA -0.199 4.140 4.340 -0.000 0.000 0.202 48 Q C 1.893 177.908 176.000 0.025 0.000 0.978 48 Q CA 1.808 57.631 55.803 0.034 0.000 0.844 48 Q CB -0.166 28.597 28.738 0.041 0.000 0.898 48 Q HN 0.393 nan 8.270 nan 0.000 0.426 49 N N 0.027 118.746 118.700 0.031 0.000 2.104 49 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 49 N C 1.544 177.064 175.510 0.016 0.000 1.024 49 N CA 1.242 54.305 53.050 0.022 0.000 0.853 49 N CB -0.510 37.991 38.487 0.023 0.000 1.008 49 N HN 0.277 nan 8.380 nan 0.000 0.424 50 L N 1.628 122.862 121.223 0.019 0.000 2.046 50 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 50 L C 2.071 178.938 176.870 -0.005 0.000 1.077 50 L CA 1.549 56.394 54.840 0.009 0.000 0.747 50 L CB -0.341 41.724 42.059 0.011 0.000 0.896 50 L HN 0.023 nan 8.230 nan 0.000 0.432 51 R N -0.614 119.881 120.500 -0.008 0.000 2.120 51 R HA -0.144 4.196 4.340 -0.000 0.000 0.234 51 R C 1.980 178.277 176.300 -0.004 0.000 1.123 51 R CA 1.433 57.522 56.100 -0.018 0.000 0.975 51 R CB -0.525 29.761 30.300 -0.023 0.000 0.866 51 R HN 0.454 nan 8.270 nan 0.000 0.446 52 N N 0.001 118.704 118.700 0.004 0.000 2.106 52 N HA -0.113 4.627 4.740 -0.000 0.000 0.188 52 N C 1.693 177.207 175.510 0.007 0.000 1.029 52 N CA 0.968 54.022 53.050 0.007 0.000 0.848 52 N CB -0.134 38.359 38.487 0.010 0.000 1.007 52 N HN -0.071 nan 8.380 nan 0.000 0.423 53 V N 0.887 120.805 119.914 0.007 0.000 2.392 53 V HA -0.245 3.875 4.120 -0.000 0.000 0.249 53 V C 2.194 178.293 176.094 0.008 0.000 1.059 53 V CA 1.414 63.719 62.300 0.008 0.000 1.051 53 V CB -0.446 31.383 31.823 0.009 0.000 0.658 53 V HN 0.358 nan 8.190 nan 0.000 0.455 54 M N -0.203 119.399 119.600 0.003 0.000 2.065 54 M HA -0.216 4.264 4.480 -0.000 0.000 0.259 54 M C 2.550 178.858 176.300 0.012 0.000 1.071 54 M CA 2.446 57.749 55.300 0.005 0.000 1.109 54 M CB -0.504 32.090 32.600 -0.009 0.000 1.313 54 M HN 0.446 nan 8.290 nan 0.000 0.408 55 S N -0.019 115.687 115.700 0.011 0.000 2.400 55 S HA -0.161 4.309 4.470 -0.000 0.000 0.232 55 S C 1.761 176.368 174.600 0.013 0.000 1.025 55 S CA 1.437 59.645 58.200 0.014 0.000 0.993 55 S CB -0.174 63.033 63.200 0.012 0.000 0.808 55 S HN 0.389 nan 8.310 nan 0.000 0.478 56 K N -0.161 120.245 120.400 0.011 0.000 2.296 56 K HA 0.024 4.344 4.320 -0.000 0.000 0.200 56 K C 1.740 178.348 176.600 0.012 0.000 1.048 56 K CA 1.439 57.733 56.287 0.011 0.000 0.966 56 K CB 0.049 32.555 32.500 0.010 0.000 0.754 56 K HN 0.688 nan 8.250 nan 0.000 0.466 57 T N -4.983 109.579 114.554 0.013 0.000 2.958 57 T HA 0.223 4.573 4.350 -0.000 0.000 0.256 57 T C 1.326 176.036 174.700 0.017 0.000 0.983 57 T CA 0.339 62.448 62.100 0.015 0.000 0.924 57 T CB 1.020 69.897 68.868 0.015 0.000 1.136 57 T HN 0.208 nan 8.240 nan 0.000 0.506 58 G N 2.095 110.906 108.800 0.018 0.000 2.176 58 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.253 58 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.253 58 G C 0.102 175.017 174.900 0.026 0.000 0.979 58 G CA 0.035 45.149 45.100 0.022 0.000 0.641 58 G HN 0.608 nan 8.290 nan 0.000 0.530 59 K N 1.056 121.470 120.400 0.024 0.000 2.219 59 K HA 0.462 4.782 4.320 -0.000 0.000 0.258 59 K C 0.336 176.955 176.600 0.032 0.000 1.008 59 K CA 0.696 56.999 56.287 0.026 0.000 0.928 59 K CB 0.533 33.046 32.500 0.022 0.000 0.983 59 K HN 0.302 nan 8.250 nan 0.000 0.484 60 T N -0.503 114.075 114.554 0.040 0.000 2.912 60 T HA 0.713 5.063 4.350 -0.000 0.000 0.288 60 T C -0.453 174.268 174.700 0.036 0.000 1.030 60 T CA -0.961 61.170 62.100 0.052 0.000 1.020 60 T CB 1.933 70.853 68.868 0.087 0.000 1.056 60 T HN 0.686 nan 8.240 nan 0.000 0.480 61 A N 0.699 123.523 122.820 0.007 0.000 2.529 61 A HA 1.025 5.345 4.320 -0.000 0.000 0.296 61 A C -1.396 176.180 177.584 -0.013 0.000 1.205 61 A CA -0.692 51.350 52.037 0.008 0.000 0.671 61 A CB 0.963 19.960 19.000 -0.006 0.000 1.301 61 A HN 1.380 nan 8.150 nan 0.000 0.450 62 A N -0.702 122.135 122.820 0.028 0.000 2.527 62 A HA 0.832 5.152 4.320 -0.000 0.000 0.293 62 A C -1.382 176.242 177.584 0.068 0.000 1.117 62 A CA -0.419 51.641 52.037 0.038 0.000 0.723 62 A CB 0.984 20.095 19.000 0.186 0.000 1.313 62 A HN 0.845 nan 8.150 nan 0.000 0.411 63 I N 1.069 121.681 120.570 0.070 0.000 2.439 63 I HA 0.373 4.543 4.170 -0.000 0.000 0.285 63 I C -0.919 175.300 176.117 0.170 0.000 1.021 63 I CA -0.291 61.065 61.300 0.093 0.000 1.091 63 I CB 1.699 39.715 38.000 0.027 0.000 1.242 63 I HN 0.597 nan 8.210 nan 0.000 0.439 64 L N 7.621 128.960 121.223 0.193 0.000 2.287 64 L HA 0.568 4.908 4.340 -0.000 0.000 0.287 64 L C -1.208 175.765 176.870 0.171 0.000 1.022 64 L CA -0.566 54.403 54.840 0.215 0.000 0.814 64 L CB 1.406 43.559 42.059 0.158 0.000 1.217 64 L HN 0.576 nan 8.230 nan 0.000 0.420 65 L N 5.223 126.541 121.223 0.159 0.000 2.257 65 L HA 0.383 4.723 4.340 -0.000 0.000 0.290 65 L C -0.598 176.346 176.870 0.123 0.000 1.044 65 L CA -0.374 54.556 54.840 0.150 0.000 0.810 65 L CB 0.862 42.950 42.059 0.048 0.000 1.193 65 L HN 0.620 nan 8.230 nan 0.000 0.425 66 D N 3.675 124.185 120.400 0.183 0.000 2.316 66 D HA 0.118 4.757 4.640 -0.000 0.000 0.245 66 D C 0.102 176.467 176.300 0.109 0.000 1.171 66 D CA -0.058 54.020 54.000 0.129 0.000 0.856 66 D CB 1.357 42.234 40.800 0.129 0.000 1.090 66 D HN 0.608 nan 8.370 nan 0.000 0.476 67 T N 0.858 115.439 114.554 0.044 0.000 2.766 67 T HA 0.106 4.456 4.350 -0.000 0.000 0.295 67 T C 1.114 175.839 174.700 0.042 0.000 1.024 67 T CA -0.260 61.855 62.100 0.025 0.000 1.018 67 T CB 1.812 70.669 68.868 -0.018 0.000 1.002 67 T HN 0.386 nan 8.240 nan 0.000 0.532 68 K N 0.724 121.141 120.400 0.027 0.000 2.141 68 K HA 0.308 4.628 4.320 -0.000 0.000 0.202 68 K C 1.123 177.709 176.600 -0.022 0.000 1.045 68 K CA 0.814 57.100 56.287 -0.002 0.000 0.971 68 K CB -0.771 31.722 32.500 -0.013 0.000 0.795 68 K HN 1.146 nan 8.250 nan 0.000 0.459 69 G N 1.658 110.446 108.800 -0.020 0.000 2.796 69 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.571 69 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.571 69 G C -2.776 172.084 174.900 -0.066 0.000 1.370 69 G CA -0.434 44.652 45.100 -0.023 0.000 0.856 69 G HN 0.238 nan 8.290 nan 0.000 0.538 70 P HA 0.458 nan 4.420 nan 0.000 0.279 70 P C -0.452 176.684 177.300 -0.274 0.000 1.239 70 P CA 0.062 63.077 63.100 -0.143 0.000 0.789 70 P CB 1.273 32.912 31.700 -0.102 0.000 0.933 71 E N 1.706 121.762 120.200 -0.240 0.000 2.433 71 E HA 0.608 4.958 4.350 -0.000 0.000 0.278 71 E C -0.794 175.680 176.600 -0.210 0.000 0.976 71 E CA -0.917 55.317 56.400 -0.277 0.000 0.793 71 E CB 1.897 31.477 29.700 -0.199 0.000 1.311 71 E HN 0.313 nan 8.360 nan 0.000 0.460 72 I N 1.896 122.345 120.570 -0.201 0.000 2.466 72 I HA 0.360 4.529 4.170 -0.000 0.000 0.279 72 I C -0.520 175.582 176.117 -0.024 0.000 1.033 72 I CA -0.914 60.331 61.300 -0.093 0.000 1.123 72 I CB 0.752 38.671 38.000 -0.135 0.000 1.237 72 I HN 0.177 nan 8.210 nan 0.000 0.460 73 R N 3.082 123.605 120.500 0.039 0.000 2.486 73 R HA 0.509 4.849 4.340 -0.000 0.000 0.286 73 R C 0.161 176.539 176.300 0.131 0.000 0.999 73 R CA -0.565 55.575 56.100 0.067 0.000 0.993 73 R CB 1.670 32.008 30.300 0.063 0.000 1.084 73 R HN 0.628 nan 8.270 nan 0.000 0.487 74 T N -0.870 113.773 114.554 0.147 0.000 2.882 74 T HA 0.452 4.802 4.350 -0.000 0.000 0.287 74 T C 1.264 176.055 174.700 0.151 0.000 1.014 74 T CA -0.645 61.586 62.100 0.218 0.000 1.049 74 T CB 0.892 69.949 68.868 0.315 0.000 1.001 74 T HN 0.538 nan 8.240 nan 0.000 0.525 75 M N 0.163 119.848 119.600 0.141 0.000 2.318 75 M HA 0.601 5.081 4.480 -0.000 0.000 0.213 75 M C -0.143 176.205 176.300 0.080 0.000 0.981 75 M CA -0.965 54.391 55.300 0.094 0.000 1.878 75 M CB -0.197 32.449 32.600 0.075 0.000 1.116 75 M HN 0.264 nan 8.290 nan 0.000 0.908 76 K N 0.777 121.213 120.400 0.061 0.000 2.098 76 K HA 0.676 4.996 4.320 -0.000 0.000 0.257 76 K C -1.212 175.416 176.600 0.047 0.000 0.999 76 K CA -0.197 56.119 56.287 0.048 0.000 0.924 76 K CB 1.001 33.521 32.500 0.033 0.000 1.028 76 K HN 0.322 nan 8.250 nan 0.000 0.466 77 L N 0.307 121.555 121.223 0.041 0.000 2.354 77 L HA 0.383 4.723 4.340 -0.000 0.000 0.264 77 L C -0.169 176.715 176.870 0.023 0.000 1.008 77 L CA -0.878 53.984 54.840 0.037 0.000 0.819 77 L CB 1.466 43.553 42.059 0.046 0.000 1.339 77 L HN 0.482 nan 8.230 nan 0.000 0.420 78 E N 1.508 121.719 120.200 0.017 0.000 2.868 78 E HA 0.039 4.388 4.350 -0.000 0.000 0.246 78 E C 1.056 177.663 176.600 0.011 0.000 0.962 78 E CA 1.116 57.523 56.400 0.010 0.000 0.955 78 E CB 0.034 29.739 29.700 0.007 0.000 0.903 78 E HN 0.912 nan 8.360 nan 0.000 0.524 79 G N 3.353 112.158 108.800 0.009 0.000 2.186 79 G HA2 -0.357 3.602 3.960 -0.000 0.000 0.266 79 G HA3 -0.357 3.602 3.960 -0.000 0.000 0.266 79 G C 0.864 175.770 174.900 0.010 0.000 0.982 79 G CA 0.519 45.624 45.100 0.008 0.000 0.670 79 G HN 1.267 nan 8.290 nan 0.000 0.533 80 G N -1.554 107.255 108.800 0.014 0.000 2.160 80 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.244 80 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.244 80 G C -0.016 174.894 174.900 0.017 0.000 1.022 80 G CA 0.476 45.586 45.100 0.016 0.000 0.741 80 G HN 0.969 nan 8.290 nan 0.000 0.508 81 N N 0.819 119.529 118.700 0.017 0.000 2.430 81 N HA 0.426 5.166 4.740 -0.000 0.000 0.292 81 N C -0.234 175.288 175.510 0.021 0.000 1.051 81 N CA -0.539 52.521 53.050 0.016 0.000 0.917 81 N CB 1.143 39.639 38.487 0.014 0.000 1.164 81 N HN 0.152 nan 8.380 nan 0.000 0.484 82 D N 0.160 120.570 120.400 0.017 0.000 2.400 82 D HA 0.152 4.791 4.640 -0.000 0.000 0.238 82 D C 0.006 176.316 176.300 0.018 0.000 1.157 82 D CA 0.261 54.271 54.000 0.017 0.000 0.889 82 D CB 0.795 41.600 40.800 0.010 0.000 1.199 82 D HN 0.211 nan 8.370 nan 0.000 0.436 83 V N -1.431 118.494 119.914 0.018 0.000 2.623 83 V HA 0.581 4.700 4.120 -0.000 0.000 0.304 83 V C -0.666 175.427 176.094 -0.000 0.000 1.054 83 V CA -0.692 61.620 62.300 0.021 0.000 0.882 83 V CB 2.040 33.894 31.823 0.050 0.000 1.002 83 V HN 0.370 nan 8.190 nan 0.000 0.424 84 S N 7.090 122.789 115.700 -0.003 0.000 2.452 84 S HA 0.691 5.161 4.470 -0.000 0.000 0.284 84 S C -0.103 174.481 174.600 -0.026 0.000 1.171 84 S CA -0.606 57.582 58.200 -0.020 0.000 1.064 84 S CB 0.739 63.931 63.200 -0.013 0.000 0.967 84 S HN 0.753 nan 8.310 nan 0.000 0.484 85 L N 2.276 123.460 121.223 -0.066 0.000 2.379 85 L HA 0.751 5.091 4.340 -0.000 0.000 0.269 85 L C 0.402 177.242 176.870 -0.051 0.000 1.084 85 L CA -0.901 53.891 54.840 -0.081 0.000 0.802 85 L CB 0.370 42.297 42.059 -0.218 0.000 1.175 85 L HN 0.604 nan 8.230 nan 0.000 0.448 86 K N 1.079 121.462 120.400 -0.029 0.000 2.371 86 K HA 0.798 5.118 4.320 -0.000 0.000 0.251 86 K C -0.173 176.421 176.600 -0.010 0.000 0.934 86 K CA -0.185 56.093 56.287 -0.016 0.000 0.798 86 K CB 1.657 34.154 32.500 -0.004 0.000 1.204 86 K HN 0.824 nan 8.250 nan 0.000 0.427 87 A N 0.010 122.825 122.820 -0.008 0.000 2.583 87 A HA 0.467 4.787 4.320 -0.000 0.000 0.231 87 A C 1.861 179.449 177.584 0.007 0.000 1.065 87 A CA 1.643 53.679 52.037 -0.001 0.000 0.760 87 A CB -0.806 18.195 19.000 0.002 0.000 1.001 87 A HN 2.617 nan 8.150 nan 0.000 0.509 88 G N -0.265 108.543 108.800 0.013 0.000 2.377 88 G HA2 -0.365 3.594 3.960 -0.000 0.000 0.250 88 G HA3 -0.365 3.594 3.960 -0.000 0.000 0.250 88 G C 0.621 175.535 174.900 0.023 0.000 1.039 88 G CA 1.024 46.135 45.100 0.017 0.000 0.625 88 G HN 1.581 nan 8.290 nan 0.000 0.526 89 Q N 1.446 121.260 119.800 0.024 0.000 2.479 89 Q HA 0.442 4.782 4.340 -0.000 0.000 0.267 89 Q C -0.164 175.868 176.000 0.053 0.000 1.071 89 Q CA 0.988 56.812 55.803 0.035 0.000 0.935 89 Q CB 0.314 29.076 28.738 0.039 0.000 1.295 89 Q HN 0.350 nan 8.270 nan 0.000 0.476 90 T N 3.380 117.965 114.554 0.052 0.000 2.867 90 T HA 0.580 4.930 4.350 -0.000 0.000 0.282 90 T C -1.079 173.682 174.700 0.102 0.000 1.000 90 T CA -0.409 61.727 62.100 0.059 0.000 1.042 90 T CB 0.534 69.416 68.868 0.025 0.000 0.973 90 T HN 0.498 nan 8.240 nan 0.000 0.465 91 F N 0.707 120.598 119.950 -0.099 0.000 2.613 91 F HA 0.651 5.178 4.527 -0.000 0.000 0.310 91 F C -0.562 175.088 175.800 -0.250 0.000 1.085 91 F CA -0.285 57.603 58.000 -0.186 0.000 0.945 91 F CB 2.441 41.308 39.000 -0.221 0.000 1.298 91 F HN 0.564 nan 8.300 nan 0.000 0.455 92 T N 3.560 117.607 114.554 -0.845 0.000 2.932 92 T HA 0.493 4.843 4.350 -0.000 0.000 0.318 92 T C -1.811 172.443 174.700 -0.744 0.000 1.265 92 T CA -0.390 61.384 62.100 -0.544 0.000 1.036 92 T CB 0.990 69.676 68.868 -0.303 0.000 1.209 92 T HN 0.299 nan 8.240 nan 0.000 0.484 93 F N 1.698 121.502 119.950 -0.242 0.000 2.421 93 F HA 0.610 5.137 4.527 -0.000 0.000 0.337 93 F C 0.918 176.531 175.800 -0.311 0.000 1.105 93 F CA -0.478 57.326 58.000 -0.328 0.000 1.049 93 F CB 1.980 40.631 39.000 -0.581 0.000 1.139 93 F HN 0.302 nan 8.300 nan 0.000 0.479 94 T N 0.719 115.242 114.554 -0.053 0.000 2.829 94 T HA 0.270 4.620 4.350 -0.000 0.000 0.280 94 T C 0.988 175.664 174.700 -0.040 0.000 0.999 94 T CA -0.195 61.865 62.100 -0.067 0.000 0.983 94 T CB 1.093 69.921 68.868 -0.067 0.000 0.968 94 T HN 0.808 nan 8.240 nan 0.000 0.446 95 T N 0.839 115.369 114.554 -0.040 0.000 3.055 95 T HA 0.000 4.350 4.350 -0.000 0.000 0.265 95 T C 0.757 175.457 174.700 0.000 0.000 1.111 95 T CA 0.282 62.374 62.100 -0.013 0.000 1.118 95 T CB -0.174 68.679 68.868 -0.025 0.000 0.909 95 T HN 0.570 nan 8.240 nan 0.000 0.501 96 D N 2.826 123.220 120.400 -0.009 0.000 2.357 96 D HA 0.007 4.647 4.640 -0.000 0.000 0.265 96 D C 1.062 177.367 176.300 0.008 0.000 1.334 96 D CA -0.105 53.893 54.000 -0.003 0.000 0.984 96 D CB 0.550 41.341 40.800 -0.015 0.000 1.077 96 D HN 0.473 nan 8.370 nan 0.000 0.514 97 K N 1.559 121.970 120.400 0.019 0.000 2.640 97 K HA -0.062 4.258 4.320 -0.000 0.000 0.193 97 K C 1.017 177.629 176.600 0.020 0.000 1.036 97 K CA 0.304 56.608 56.287 0.029 0.000 0.962 97 K CB -0.141 32.380 32.500 0.035 0.000 0.791 97 K HN 0.190 nan 8.250 nan 0.000 0.491 98 S N 0.541 116.247 115.700 0.010 0.000 2.497 98 S HA 0.053 4.523 4.470 -0.000 0.000 0.221 98 S C 0.938 175.540 174.600 0.002 0.000 1.037 98 S CA -0.410 57.794 58.200 0.006 0.000 0.920 98 S CB 0.059 63.261 63.200 0.002 0.000 0.800 98 S HN 0.021 nan 8.310 nan 0.000 0.505 99 V N 4.201 124.113 119.914 -0.004 0.000 2.788 99 V HA 0.070 4.190 4.120 -0.000 0.000 0.307 99 V C 0.088 176.180 176.094 -0.002 0.000 1.069 99 V CA 0.292 62.584 62.300 -0.013 0.000 1.173 99 V CB 0.097 31.901 31.823 -0.031 0.000 0.925 99 V HN 0.412 nan 8.190 nan 0.000 0.492 100 I N 4.150 124.715 120.570 -0.008 0.000 2.354 100 I HA 0.443 4.612 4.170 -0.000 0.000 0.286 100 I C 0.775 176.885 176.117 -0.012 0.000 1.007 100 I CA 0.089 61.388 61.300 -0.001 0.000 1.167 100 I CB 0.829 38.829 38.000 0.001 0.000 1.320 100 I HN 0.696 nan 8.210 nan 0.000 0.458 101 G N 5.504 114.303 108.800 -0.002 0.000 2.547 101 G HA2 0.547 4.506 3.960 -0.000 0.000 0.291 101 G HA3 0.547 4.506 3.960 -0.000 0.000 0.291 101 G C -0.245 174.656 174.900 0.001 0.000 1.211 101 G CA -0.256 44.832 45.100 -0.020 0.000 0.950 101 G HN 0.755 nan 8.290 nan 0.000 0.504 102 N N -3.141 115.555 118.700 -0.006 0.000 3.587 102 N HA 0.188 4.928 4.740 -0.000 0.000 0.339 102 N C 1.021 176.588 175.510 0.094 0.000 1.636 102 N CA 0.135 53.200 53.050 0.026 0.000 0.788 102 N CB 0.381 38.860 38.487 -0.012 0.000 2.205 102 N HN 0.480 nan 8.380 nan 0.000 0.600 103 S N -1.404 114.351 115.700 0.092 0.000 2.528 103 S HA -0.117 4.353 4.470 -0.000 0.000 0.244 103 S C 0.250 174.964 174.600 0.190 0.000 0.982 103 S CA 1.205 59.504 58.200 0.166 0.000 0.953 103 S CB -0.704 62.544 63.200 0.081 0.000 0.754 103 S HN 0.598 nan 8.310 nan 0.000 0.529 104 E N 0.373 120.536 120.200 -0.062 0.000 2.485 104 E HA 0.348 4.697 4.350 -0.000 0.000 0.213 104 E C 0.628 176.692 176.600 -0.894 0.000 0.923 104 E CA 0.060 56.298 56.400 -0.270 0.000 1.054 104 E CB 0.309 29.905 29.700 -0.173 0.000 1.077 104 E HN 0.831 nan 8.360 nan 0.000 0.509 105 M N -1.046 117.946 119.600 -1.014 0.000 2.822 105 M HA 0.492 4.972 4.480 -0.000 0.000 0.275 105 M C -2.226 173.707 176.300 -0.612 0.000 1.084 105 M CA -0.877 53.630 55.300 -1.320 0.000 0.814 105 M CB 2.353 34.399 32.600 -0.923 0.000 1.693 105 M HN -0.126 nan 8.290 nan 0.000 0.531 106 V N 0.773 120.408 119.914 -0.465 0.000 3.182 106 V HA 0.982 5.102 4.120 -0.000 0.000 0.308 106 V C -1.097 175.014 176.094 0.028 0.000 1.240 106 V CA -0.087 62.166 62.300 -0.079 0.000 1.063 106 V CB 2.421 34.309 31.823 0.109 0.000 1.076 106 V HN 1.316 nan 8.190 nan 0.000 0.446 107 A N 2.149 125.016 122.820 0.079 0.000 2.331 107 A HA 0.738 5.057 4.320 -0.000 0.000 0.283 107 A C -0.488 177.193 177.584 0.162 0.000 1.142 107 A CA 0.124 52.216 52.037 0.092 0.000 0.812 107 A CB 0.737 19.774 19.000 0.063 0.000 1.074 107 A HN 1.752 nan 8.150 nan 0.000 0.497 108 V N 0.307 120.307 119.914 0.142 0.000 2.735 108 V HA 0.640 4.760 4.120 -0.000 0.000 0.310 108 V C 0.882 177.077 176.094 0.168 0.000 1.061 108 V CA 0.126 62.538 62.300 0.185 0.000 0.913 108 V CB 0.928 32.889 31.823 0.231 0.000 1.005 108 V HN 1.188 nan 8.190 nan 0.000 0.428 109 T N -0.355 114.300 114.554 0.169 0.000 3.098 109 T HA -0.065 4.285 4.350 -0.000 0.000 0.266 109 T C 0.322 175.146 174.700 0.207 0.000 1.145 109 T CA 1.390 63.579 62.100 0.147 0.000 1.092 109 T CB -0.597 68.339 68.868 0.113 0.000 0.908 109 T HN 1.110 nan 8.240 nan 0.000 0.526 110 Y N 2.108 122.479 120.300 0.119 0.000 2.575 110 Y HA 0.477 5.027 4.550 -0.000 0.000 0.326 110 Y C 0.545 176.526 175.900 0.135 0.000 0.979 110 Y CA -1.858 56.296 58.100 0.090 0.000 1.286 110 Y CB 1.065 39.533 38.460 0.014 0.000 1.093 110 Y HN -0.055 nan 8.280 nan 0.000 0.501 111 E N 2.688 122.797 120.200 -0.151 0.000 2.301 111 E HA -0.163 4.187 4.350 -0.000 0.000 0.202 111 E C 1.637 177.980 176.600 -0.428 0.000 1.017 111 E CA 1.334 57.621 56.400 -0.189 0.000 0.831 111 E CB -0.494 29.168 29.700 -0.064 0.000 0.742 111 E HN 0.831 nan 8.360 nan 0.000 0.491 112 G N -0.944 107.158 108.800 -1.164 0.000 3.434 112 G HA2 0.032 3.992 3.960 -0.000 0.000 0.258 112 G HA3 0.032 3.992 3.960 -0.000 0.000 0.258 112 G C 0.740 175.172 174.900 -0.780 0.000 1.128 112 G CA -0.467 44.102 45.100 -0.884 0.000 0.792 112 G HN 0.086 nan 8.290 nan 0.000 0.539 113 F N 2.843 122.282 119.950 -0.851 0.000 2.126 113 F HA -0.161 4.366 4.527 -0.000 0.000 0.299 113 F C 2.789 178.511 175.800 -0.130 0.000 1.096 113 F CA 2.075 59.893 58.000 -0.304 0.000 1.255 113 F CB -0.369 38.514 39.000 -0.195 0.000 0.997 113 F HN 0.222 nan 8.300 nan 0.000 0.479 114 T N -3.224 111.422 114.554 0.154 0.000 2.812 114 T HA -0.127 4.223 4.350 -0.000 0.000 0.264 114 T C 1.889 176.635 174.700 0.077 0.000 1.042 114 T CA 1.716 63.887 62.100 0.118 0.000 1.140 114 T CB -0.979 67.915 68.868 0.044 0.000 0.870 114 T HN 0.202 nan 8.240 nan 0.000 0.445 115 T N 1.899 116.471 114.554 0.029 0.000 2.896 115 T HA -0.032 4.318 4.350 -0.000 0.000 0.263 115 T C 1.572 176.303 174.700 0.050 0.000 1.050 115 T CA 1.037 63.157 62.100 0.034 0.000 1.140 115 T CB -0.339 68.540 68.868 0.018 0.000 0.877 115 T HN 0.325 nan 8.240 nan 0.000 0.457 116 D N 0.344 120.780 120.400 0.060 0.000 2.234 116 D HA 0.089 4.729 4.640 -0.000 0.000 0.205 116 D C 0.720 177.054 176.300 0.057 0.000 0.962 116 D CA 0.222 54.262 54.000 0.067 0.000 0.855 116 D CB -0.100 40.766 40.800 0.110 0.000 0.951 116 D HN 0.177 nan 8.370 nan 0.000 0.500 117 L N 0.415 121.686 121.223 0.079 0.000 2.475 117 L HA 0.262 4.602 4.340 -0.000 0.000 0.253 117 L C 0.180 177.102 176.870 0.088 0.000 1.198 117 L CA 0.095 54.994 54.840 0.099 0.000 0.814 117 L CB 0.938 43.113 42.059 0.193 0.000 1.134 117 L HN -0.238 nan 8.230 nan 0.000 0.478 118 S N -0.451 115.301 115.700 0.087 0.000 2.566 118 S HA 0.328 4.798 4.470 -0.000 0.000 0.273 118 S C -0.859 173.784 174.600 0.071 0.000 1.157 118 S CA -0.710 57.532 58.200 0.069 0.000 0.938 118 S CB 1.687 64.918 63.200 0.052 0.000 1.087 118 S HN 0.249 nan 8.310 nan 0.000 0.474 119 V N 2.798 122.750 119.914 0.064 0.000 2.625 119 V HA 0.291 4.411 4.120 -0.000 0.000 0.305 119 V C 1.511 177.638 176.094 0.055 0.000 1.055 119 V CA 2.465 64.802 62.300 0.061 0.000 1.209 119 V CB 0.220 32.073 31.823 0.050 0.000 0.877 119 V HN 1.457 nan 8.190 nan 0.000 0.489 120 G N 3.735 112.572 108.800 0.061 0.000 2.232 120 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.226 120 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.226 120 G C 0.206 175.141 174.900 0.058 0.000 0.996 120 G CA 0.186 45.318 45.100 0.054 0.000 0.626 120 G HN 0.668 nan 8.290 nan 0.000 0.509 121 N N 0.445 119.186 118.700 0.069 0.000 2.399 121 N HA 0.466 5.206 4.740 -0.000 0.000 0.250 121 N C -0.256 175.303 175.510 0.081 0.000 1.272 121 N CA 0.702 53.793 53.050 0.069 0.000 0.928 121 N CB 0.447 38.981 38.487 0.077 0.000 1.158 121 N HN 0.116 nan 8.380 nan 0.000 0.463 122 T N 0.940 115.537 114.554 0.072 0.000 2.794 122 T HA 0.337 4.687 4.350 -0.000 0.000 0.280 122 T C -0.438 174.318 174.700 0.094 0.000 0.987 122 T CA -0.528 61.621 62.100 0.082 0.000 0.993 122 T CB 1.146 70.051 68.868 0.062 0.000 0.939 122 T HN 0.025 nan 8.240 nan 0.000 0.449 123 V N 5.142 125.136 119.914 0.133 0.000 2.435 123 V HA 0.496 4.616 4.120 -0.000 0.000 0.290 123 V C -0.196 175.970 176.094 0.120 0.000 1.030 123 V CA -0.732 61.653 62.300 0.142 0.000 0.881 123 V CB 1.458 33.425 31.823 0.238 0.000 0.983 123 V HN 0.700 nan 8.190 nan 0.000 0.445 124 L N 5.156 126.427 121.223 0.080 0.000 2.329 124 L HA 0.727 5.067 4.340 -0.000 0.000 0.279 124 L C -0.877 176.035 176.870 0.071 0.000 1.014 124 L CA -0.693 54.188 54.840 0.069 0.000 0.814 124 L CB 2.188 44.274 42.059 0.044 0.000 1.257 124 L HN 0.367 nan 8.230 nan 0.000 0.424 125 V N 1.300 121.260 119.914 0.075 0.000 2.735 125 V HA 0.383 4.503 4.120 -0.000 0.000 0.310 125 V C -0.519 175.603 176.094 0.047 0.000 1.061 125 V CA -0.560 61.789 62.300 0.081 0.000 0.913 125 V CB 1.765 33.671 31.823 0.138 0.000 1.005 125 V HN 0.855 nan 8.190 nan 0.000 0.428 126 D N 3.229 123.654 120.400 0.041 0.000 3.061 126 D HA -0.144 4.495 4.640 -0.000 0.000 0.252 126 D C 0.204 176.515 176.300 0.018 0.000 1.080 126 D CA 0.869 54.885 54.000 0.027 0.000 0.871 126 D CB -0.881 39.933 40.800 0.023 0.000 1.018 126 D HN 0.899 nan 8.370 nan 0.000 0.425 127 D N 0.032 120.441 120.400 0.014 0.000 2.701 127 D HA -0.177 4.463 4.640 -0.000 0.000 0.235 127 D C 1.331 177.641 176.300 0.017 0.000 1.155 127 D CA 2.473 56.480 54.000 0.013 0.000 0.649 127 D CB -1.375 39.432 40.800 0.011 0.000 1.050 127 D HN 1.060 nan 8.370 nan 0.000 0.425 128 G N -1.088 107.725 108.800 0.021 0.000 2.184 128 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.264 128 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.264 128 G C 1.098 176.009 174.900 0.018 0.000 0.975 128 G CA 0.759 45.872 45.100 0.023 0.000 0.642 128 G HN 0.489 nan 8.290 nan 0.000 0.536 129 L N 0.062 121.293 121.223 0.014 0.000 1.991 129 L HA 0.147 4.486 4.340 -0.000 0.000 0.221 129 L C 1.328 178.199 176.870 0.002 0.000 1.079 129 L CA 2.200 57.043 54.840 0.006 0.000 0.778 129 L CB -0.273 41.787 42.059 0.002 0.000 0.893 129 L HN 0.458 nan 8.230 nan 0.000 0.437 130 I N -1.054 119.518 120.570 0.003 0.000 2.474 130 I HA 0.524 4.694 4.170 -0.000 0.000 0.294 130 I C 0.343 176.471 176.117 0.019 0.000 1.005 130 I CA -0.097 61.198 61.300 -0.009 0.000 1.113 130 I CB 1.545 39.513 38.000 -0.053 0.000 1.289 130 I HN 0.086 nan 8.210 nan 0.000 0.436 131 G N 6.550 115.363 108.800 0.021 0.000 2.432 131 G HA2 0.875 4.835 3.960 -0.000 0.000 0.331 131 G HA3 0.875 4.835 3.960 -0.000 0.000 0.331 131 G C -0.790 174.145 174.900 0.058 0.000 1.170 131 G CA -0.647 44.482 45.100 0.047 0.000 0.943 131 G HN 0.447 nan 8.290 nan 0.000 0.483 132 M N 0.085 119.743 119.600 0.096 0.000 2.569 132 M HA 0.548 5.028 4.480 -0.000 0.000 0.279 132 M C -1.581 174.790 176.300 0.117 0.000 1.253 132 M CA -1.017 54.349 55.300 0.110 0.000 0.867 132 M CB 2.255 34.957 32.600 0.170 0.000 1.727 132 M HN 0.453 nan 8.290 nan 0.000 0.467 133 E N 0.914 121.177 120.200 0.104 0.000 2.191 133 E HA 0.526 4.876 4.350 -0.000 0.000 0.278 133 E C -1.449 175.220 176.600 0.116 0.000 0.972 133 E CA -0.551 55.907 56.400 0.096 0.000 0.804 133 E CB 1.888 31.630 29.700 0.071 0.000 1.110 133 E HN 0.507 nan 8.360 nan 0.000 0.394 134 V N 4.965 124.948 119.914 0.116 0.000 2.415 134 V HA 0.079 4.198 4.120 -0.000 0.000 0.267 134 V C 1.166 177.312 176.094 0.087 0.000 1.042 134 V CA 0.962 63.335 62.300 0.122 0.000 1.000 134 V CB 0.648 32.546 31.823 0.124 0.000 1.015 134 V HN 1.017 nan 8.190 nan 0.000 0.478 135 T N 2.382 116.984 114.554 0.079 0.000 3.046 135 T HA 0.458 4.808 4.350 -0.000 0.000 0.242 135 T C 0.545 175.273 174.700 0.048 0.000 1.018 135 T CA 0.519 62.653 62.100 0.056 0.000 1.131 135 T CB 0.456 69.351 68.868 0.046 0.000 0.904 135 T HN 0.851 nan 8.240 nan 0.000 0.459 136 A N 0.568 123.419 122.820 0.051 0.000 2.488 136 A HA 0.747 5.066 4.320 -0.000 0.000 0.298 136 A C -1.601 176.010 177.584 0.045 0.000 1.044 136 A CA -0.954 51.107 52.037 0.040 0.000 0.693 136 A CB 1.147 20.161 19.000 0.023 0.000 1.272 136 A HN 0.423 nan 8.150 nan 0.000 0.402 137 I N 1.352 121.946 120.570 0.040 0.000 2.534 137 I HA 0.570 4.740 4.170 -0.000 0.000 0.288 137 I C -0.527 175.603 176.117 0.023 0.000 1.077 137 I CA -0.206 61.118 61.300 0.039 0.000 1.051 137 I CB 2.367 40.404 38.000 0.061 0.000 1.234 137 I HN 0.844 nan 8.210 nan 0.000 0.425 138 E N 4.766 124.972 120.200 0.011 0.000 2.354 138 E HA 0.701 5.051 4.350 -0.000 0.000 0.283 138 E C 0.054 176.650 176.600 -0.005 0.000 0.938 138 E CA -0.715 55.687 56.400 0.003 0.000 0.777 138 E CB 1.756 31.456 29.700 -0.001 0.000 1.222 138 E HN 0.903 nan 8.360 nan 0.000 0.423 139 G N 3.642 112.439 108.800 -0.005 0.000 2.566 139 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.280 139 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.280 139 G C 0.189 175.081 174.900 -0.013 0.000 1.225 139 G CA 0.318 45.412 45.100 -0.011 0.000 0.966 139 G HN 1.117 nan 8.290 nan 0.000 0.560 140 N N 1.024 119.711 118.700 -0.022 0.000 2.484 140 N HA 0.277 5.017 4.740 -0.000 0.000 0.245 140 N C -0.062 175.423 175.510 -0.040 0.000 1.184 140 N CA 0.427 53.460 53.050 -0.027 0.000 0.884 140 N CB 0.328 38.798 38.487 -0.029 0.000 1.182 140 N HN 0.700 nan 8.380 nan 0.000 0.493 141 K N -0.258 120.122 120.400 -0.032 0.000 2.471 141 K HA 0.500 4.820 4.320 -0.000 0.000 0.252 141 K C -1.317 175.272 176.600 -0.020 0.000 0.938 141 K CA -0.712 55.549 56.287 -0.044 0.000 0.796 141 K CB 2.741 35.213 32.500 -0.047 0.000 1.161 141 K HN -0.108 nan 8.250 nan 0.000 0.425 142 V N 3.732 123.631 119.914 -0.026 0.000 2.487 142 V HA 0.491 4.611 4.120 -0.000 0.000 0.298 142 V C -0.649 175.481 176.094 0.059 0.000 1.028 142 V CA -0.882 61.442 62.300 0.041 0.000 0.860 142 V CB 1.507 33.400 31.823 0.116 0.000 0.991 142 V HN 0.626 nan 8.190 nan 0.000 0.427 143 I N 4.839 125.446 120.570 0.062 0.000 2.362 143 I HA 0.713 4.882 4.170 -0.000 0.000 0.289 143 I C -0.039 176.128 176.117 0.084 0.000 0.994 143 I CA 0.405 61.727 61.300 0.037 0.000 1.158 143 I CB 1.054 39.059 38.000 0.009 0.000 1.315 143 I HN 0.944 nan 8.210 nan 0.000 0.451 144 C N 3.994 123.352 119.300 0.096 0.000 3.318 144 C HA 0.591 5.051 4.460 -0.000 0.000 0.329 144 C C -0.572 174.479 174.990 0.101 0.000 1.449 144 C CA -1.401 57.691 59.018 0.123 0.000 1.397 144 C CB 1.748 29.604 27.740 0.194 0.000 1.810 144 C HN 0.562 nan 8.230 nan 0.000 0.449 145 K N 1.100 121.554 120.400 0.091 0.000 2.265 145 K HA 0.577 4.897 4.320 -0.000 0.000 0.267 145 K C -0.998 175.641 176.600 0.066 0.000 0.994 145 K CA -0.157 56.171 56.287 0.069 0.000 0.860 145 K CB 1.577 34.110 32.500 0.055 0.000 1.099 145 K HN 0.592 nan 8.250 nan 0.000 0.448 146 V N 6.394 126.337 119.914 0.047 0.000 2.479 146 V HA 0.018 4.138 4.120 -0.000 0.000 0.281 146 V C 1.310 177.413 176.094 0.015 0.000 1.031 146 V CA -0.034 62.274 62.300 0.013 0.000 1.038 146 V CB 0.505 32.308 31.823 -0.033 0.000 0.981 146 V HN 0.687 nan 8.190 nan 0.000 0.478 147 L N 3.720 124.954 121.223 0.019 0.000 2.592 147 L HA 0.345 4.685 4.340 -0.000 0.000 0.227 147 L C 0.560 177.435 176.870 0.008 0.000 1.127 147 L CA 0.019 54.870 54.840 0.018 0.000 0.884 147 L CB -0.607 41.468 42.059 0.028 0.000 1.065 147 L HN 0.879 nan 8.230 nan 0.000 0.457 148 N N -1.416 117.281 118.700 -0.004 0.000 2.935 148 N HA 0.113 4.853 4.740 -0.000 0.000 0.248 148 N C -1.475 174.022 175.510 -0.021 0.000 1.276 148 N CA -0.655 52.390 53.050 -0.008 0.000 0.906 148 N CB 0.452 38.938 38.487 -0.002 0.000 1.564 148 N HN -0.186 nan 8.380 nan 0.000 0.500 149 N N -0.727 117.962 118.700 -0.018 0.000 2.513 149 N HA 0.689 5.429 4.740 -0.000 0.000 0.268 149 N C 0.202 175.695 175.510 -0.028 0.000 1.180 149 N CA 0.814 53.850 53.050 -0.024 0.000 0.948 149 N CB 1.086 39.565 38.487 -0.014 0.000 1.083 149 N HN 0.860 nan 8.380 nan 0.000 0.455 150 G N 0.338 109.114 108.800 -0.039 0.000 2.451 150 G HA2 0.280 4.240 3.960 -0.000 0.000 0.292 150 G HA3 0.280 4.240 3.960 -0.000 0.000 0.292 150 G C -2.087 172.785 174.900 -0.046 0.000 1.427 150 G CA -0.760 44.318 45.100 -0.036 0.000 0.792 150 G HN 0.406 nan 8.290 nan 0.000 0.498 151 D N 0.549 120.928 120.400 -0.035 0.000 2.308 151 D HA 0.431 5.071 4.640 -0.000 0.000 0.242 151 D C -0.208 176.070 176.300 -0.036 0.000 1.059 151 D CA -0.447 53.533 54.000 -0.034 0.000 0.830 151 D CB 2.477 43.267 40.800 -0.016 0.000 1.161 151 D HN 0.410 nan 8.370 nan 0.000 0.494 152 L N 2.199 123.390 121.223 -0.053 0.000 2.325 152 L HA 0.499 4.838 4.340 -0.000 0.000 0.284 152 L C 0.517 177.391 176.870 0.006 0.000 1.089 152 L CA -0.001 54.816 54.840 -0.038 0.000 0.836 152 L CB 0.379 42.383 42.059 -0.093 0.000 1.184 152 L HN 0.405 nan 8.230 nan 0.000 0.444 153 G N 4.485 113.295 108.800 0.017 0.000 2.508 153 G HA2 0.406 4.366 3.960 -0.000 0.000 0.278 153 G HA3 0.406 4.366 3.960 -0.000 0.000 0.278 153 G C -0.750 174.177 174.900 0.045 0.000 1.389 153 G CA -0.325 44.791 45.100 0.027 0.000 1.050 153 G HN 0.843 nan 8.290 nan 0.000 0.522 154 E N -1.408 118.817 120.200 0.042 0.000 2.202 154 E HA 0.352 4.702 4.350 -0.000 0.000 0.272 154 E C -0.103 176.529 176.600 0.052 0.000 0.951 154 E CA -0.848 55.585 56.400 0.055 0.000 0.813 154 E CB 1.072 30.801 29.700 0.049 0.000 1.151 154 E HN 0.642 nan 8.360 nan 0.000 0.398 155 N N 2.039 120.778 118.700 0.065 0.000 2.643 155 N HA -0.116 4.624 4.740 -0.000 0.000 0.267 155 N C -1.450 174.090 175.510 0.051 0.000 1.158 155 N CA 0.176 53.260 53.050 0.057 0.000 0.684 155 N CB -0.242 38.269 38.487 0.042 0.000 0.879 155 N HN 0.401 nan 8.380 nan 0.000 0.553 156 K N 0.869 121.310 120.400 0.068 0.000 2.378 156 K HA 0.492 4.811 4.320 -0.000 0.000 0.252 156 K C 0.474 177.104 176.600 0.051 0.000 0.931 156 K CA -0.315 56.006 56.287 0.057 0.000 0.794 156 K CB 1.590 34.131 32.500 0.068 0.000 1.181 156 K HN 0.373 nan 8.250 nan 0.000 0.425 157 G N 0.623 109.435 108.800 0.020 0.000 2.491 157 G HA2 0.377 4.337 3.960 -0.000 0.000 0.242 157 G HA3 0.377 4.337 3.960 -0.000 0.000 0.242 157 G C -0.620 174.283 174.900 0.004 0.000 1.266 157 G CA -0.265 44.830 45.100 -0.009 0.000 0.844 157 G HN 0.233 nan 8.290 nan 0.000 0.571 158 V N 2.864 122.763 119.914 -0.025 0.000 2.604 158 V HA 0.413 4.533 4.120 -0.000 0.000 0.305 158 V C -0.553 175.505 176.094 -0.059 0.000 1.043 158 V CA -1.142 61.143 62.300 -0.026 0.000 0.888 158 V CB 1.908 33.715 31.823 -0.027 0.000 0.995 158 V HN 0.723 nan 8.190 nan 0.000 0.429 159 N N 3.947 122.632 118.700 -0.025 0.000 2.269 159 N HA 0.633 5.372 4.740 -0.000 0.000 0.304 159 N C -1.017 174.486 175.510 -0.012 0.000 1.072 159 N CA -0.492 52.551 53.050 -0.010 0.000 0.802 159 N CB 2.589 41.090 38.487 0.024 0.000 1.348 159 N HN 0.538 nan 8.380 nan 0.000 0.484 160 L N 1.513 122.730 121.223 -0.010 0.000 2.556 160 L HA 0.385 4.725 4.340 -0.000 0.000 0.243 160 L C -2.403 174.476 176.870 0.014 0.000 1.331 160 L CA -1.700 53.130 54.840 -0.016 0.000 0.927 160 L CB 0.847 42.856 42.059 -0.083 0.000 1.219 160 L HN 0.128 nan 8.230 nan 0.000 0.490 161 P HA 0.060 nan 4.420 nan 0.000 0.266 161 P C 1.148 178.458 177.300 0.017 0.000 1.195 161 P CA 1.130 64.246 63.100 0.027 0.000 0.768 161 P CB 1.298 33.016 31.700 0.031 0.000 0.838 162 G N 1.309 110.114 108.800 0.008 0.000 2.435 162 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.245 162 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.245 162 G C 0.059 174.960 174.900 0.001 0.000 1.073 162 G CA 0.358 45.461 45.100 0.004 0.000 0.638 162 G HN 0.587 nan 8.290 nan 0.000 0.521 163 V N 2.209 122.125 119.914 0.004 0.000 2.583 163 V HA 0.550 4.670 4.120 -0.000 0.000 0.287 163 V C 0.711 176.801 176.094 -0.006 0.000 1.051 163 V CA 0.123 62.423 62.300 0.001 0.000 1.010 163 V CB 1.597 33.419 31.823 -0.001 0.000 0.988 163 V HN 0.582 nan 8.190 nan 0.000 0.478 164 S N 5.314 121.012 115.700 -0.004 0.000 2.489 164 S HA 0.668 5.138 4.470 -0.000 0.000 0.277 164 S C -0.449 174.153 174.600 0.003 0.000 1.230 164 S CA -0.486 57.708 58.200 -0.010 0.000 1.053 164 S CB 0.707 63.901 63.200 -0.011 0.000 0.955 164 S HN 0.453 nan 8.310 nan 0.000 0.488 165 I N 2.019 122.585 120.570 -0.008 0.000 2.385 165 I HA 0.373 4.543 4.170 -0.000 0.000 0.294 165 I C 1.037 177.142 176.117 -0.021 0.000 0.988 165 I CA -0.385 60.898 61.300 -0.028 0.000 1.265 165 I CB 1.314 39.231 38.000 -0.138 0.000 1.388 165 I HN 0.805 nan 8.210 nan 0.000 0.480 166 A N 6.814 129.657 122.820 0.038 0.000 2.261 166 A HA 0.204 4.524 4.320 -0.000 0.000 0.208 166 A C 0.801 178.394 177.584 0.015 0.000 1.223 166 A CA 0.076 52.149 52.037 0.060 0.000 0.833 166 A CB -0.719 18.361 19.000 0.133 0.000 0.830 166 A HN 0.611 nan 8.150 nan 0.000 0.483 167 L N 1.449 122.605 121.223 -0.111 0.000 2.456 167 L HA 0.174 4.514 4.340 -0.000 0.000 0.272 167 L C -1.585 175.264 176.870 -0.034 0.000 1.189 167 L CA -1.511 53.256 54.840 -0.120 0.000 0.846 167 L CB 0.713 42.612 42.059 -0.266 0.000 1.111 167 L HN 0.213 nan 8.230 nan 0.000 0.475 168 P HA 0.080 nan 4.420 nan 0.000 0.274 168 P C -0.215 177.081 177.300 -0.006 0.000 1.260 168 P CA -0.325 62.777 63.100 0.004 0.000 0.793 168 P CB 0.783 32.495 31.700 0.020 0.000 1.048 169 A N 0.529 123.341 122.820 -0.013 0.000 1.887 169 A HA 0.097 4.417 4.320 -0.000 0.000 0.212 169 A C 1.263 178.818 177.584 -0.049 0.000 1.198 169 A CA 0.736 52.761 52.037 -0.021 0.000 0.628 169 A CB -0.609 18.372 19.000 -0.032 0.000 0.847 169 A HN 0.487 nan 8.150 nan 0.000 0.449 170 L N 1.733 122.898 121.223 -0.097 0.000 2.272 170 L HA 0.444 4.784 4.340 -0.000 0.000 0.284 170 L C 0.283 177.113 176.870 -0.067 0.000 1.045 170 L CA -0.711 54.042 54.840 -0.146 0.000 0.842 170 L CB 0.814 42.641 42.059 -0.386 0.000 1.224 170 L HN 0.379 nan 8.230 nan 0.000 0.430 171 A N 3.833 126.628 122.820 -0.042 0.000 2.583 171 A HA -0.062 4.258 4.320 -0.000 0.000 0.249 171 A C 1.243 178.832 177.584 0.009 0.000 1.035 171 A CA 0.107 52.135 52.037 -0.015 0.000 0.777 171 A CB -0.036 18.950 19.000 -0.022 0.000 0.942 171 A HN 0.766 nan 8.150 nan 0.000 0.516 172 E N 1.836 122.054 120.200 0.031 0.000 2.492 172 E HA -0.209 4.141 4.350 -0.000 0.000 0.204 172 E C 1.540 178.168 176.600 0.047 0.000 1.073 172 E CA 1.533 57.964 56.400 0.051 0.000 0.887 172 E CB 0.029 29.763 29.700 0.057 0.000 0.813 172 E HN 0.911 nan 8.360 nan 0.000 0.562 173 K N -0.642 119.780 120.400 0.037 0.000 2.313 173 K HA 0.021 4.340 4.320 -0.000 0.000 0.197 173 K C 1.584 178.215 176.600 0.052 0.000 1.061 173 K CA 0.342 56.659 56.287 0.050 0.000 0.980 173 K CB 0.248 32.772 32.500 0.039 0.000 0.888 173 K HN -0.241 nan 8.250 nan 0.000 0.502 174 D N 1.792 122.205 120.400 0.021 0.000 2.097 174 D HA -0.108 4.532 4.640 -0.000 0.000 0.195 174 D C 1.420 177.713 176.300 -0.012 0.000 0.989 174 D CA 1.263 55.261 54.000 -0.004 0.000 0.827 174 D CB 0.057 40.840 40.800 -0.028 0.000 0.966 174 D HN 0.236 nan 8.370 nan 0.000 0.456 175 K N 0.245 120.645 120.400 0.001 0.000 2.127 175 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 175 K C 2.227 178.825 176.600 -0.003 0.000 1.047 175 K CA 1.374 57.680 56.287 0.032 0.000 0.927 175 K CB -0.081 32.513 32.500 0.156 0.000 0.716 175 K HN 0.312 nan 8.250 nan 0.000 0.450 176 Q N 0.391 120.205 119.800 0.023 0.000 2.119 176 Q HA -0.144 4.196 4.340 -0.000 0.000 0.201 176 Q C 1.501 177.492 176.000 -0.016 0.000 0.972 176 Q CA 1.240 57.052 55.803 0.015 0.000 0.847 176 Q CB 0.006 28.817 28.738 0.122 0.000 0.903 176 Q HN 0.294 nan 8.270 nan 0.000 0.433 177 D N 0.880 121.297 120.400 0.029 0.000 2.144 177 D HA -0.118 4.522 4.640 -0.000 0.000 0.199 177 D C 1.899 178.077 176.300 -0.203 0.000 0.984 177 D CA 0.969 54.896 54.000 -0.122 0.000 0.834 177 D CB -0.046 40.595 40.800 -0.265 0.000 0.955 177 D HN 0.235 nan 8.370 nan 0.000 0.465 178 L N 0.298 121.433 121.223 -0.147 0.000 2.072 178 L HA -0.057 4.283 4.340 -0.000 0.000 0.205 178 L C 2.524 179.313 176.870 -0.136 0.000 1.079 178 L CA 0.519 55.281 54.840 -0.129 0.000 0.752 178 L CB -0.345 41.666 42.059 -0.080 0.000 0.906 178 L HN -0.007 nan 8.230 nan 0.000 0.436 179 I N -0.259 120.193 120.570 -0.197 0.000 2.151 179 I HA -0.372 3.798 4.170 -0.000 0.000 0.243 179 I C 2.601 178.631 176.117 -0.145 0.000 1.080 179 I CA 1.731 62.872 61.300 -0.265 0.000 1.339 179 I CB -0.447 37.335 38.000 -0.363 0.000 1.039 179 I HN 0.174 nan 8.210 nan 0.000 0.409 180 F N 2.010 121.770 119.950 -0.317 0.000 2.065 180 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 180 F C 2.377 178.067 175.800 -0.184 0.000 1.112 180 F CA 1.861 59.678 58.000 -0.305 0.000 1.212 180 F CB -1.063 37.680 39.000 -0.428 0.000 0.975 180 F HN 0.019 nan 8.300 nan 0.000 0.476 181 G N -0.218 108.516 108.800 -0.111 0.000 2.505 181 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.220 181 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.220 181 G C 1.692 176.466 174.900 -0.209 0.000 1.145 181 G CA 1.359 46.336 45.100 -0.205 0.000 0.761 181 G HN 0.576 nan 8.290 nan 0.000 0.571 182 C N 0.453 119.667 119.300 -0.143 0.000 2.432 182 C HA 0.017 4.477 4.460 -0.000 0.000 0.277 182 C C 2.774 177.682 174.990 -0.135 0.000 1.249 182 C CA 1.070 60.029 59.018 -0.099 0.000 1.725 182 C CB -1.016 26.707 27.740 -0.028 0.000 2.028 182 C HN 0.607 nan 8.230 nan 0.000 0.477 183 E N 0.475 120.571 120.200 -0.173 0.000 2.110 183 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 183 E C 2.283 178.752 176.600 -0.220 0.000 0.988 183 E CA 0.956 57.258 56.400 -0.164 0.000 0.804 183 E CB -0.213 29.393 29.700 -0.156 0.000 0.745 183 E HN 0.655 nan 8.360 nan 0.000 0.458 184 Q N -0.659 118.921 119.800 -0.367 0.000 2.311 184 Q HA 0.005 4.345 4.340 -0.000 0.000 0.203 184 Q C 1.288 177.168 176.000 -0.200 0.000 0.954 184 Q CA 0.985 56.584 55.803 -0.341 0.000 0.885 184 Q CB 0.701 29.104 28.738 -0.557 0.000 0.963 184 Q HN 0.439 nan 8.270 nan 0.000 0.471 185 G N 1.661 110.358 108.800 -0.172 0.000 2.149 185 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.235 185 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.235 185 G C 0.425 175.267 174.900 -0.096 0.000 1.018 185 G CA 0.247 45.282 45.100 -0.109 0.000 0.728 185 G HN 0.350 nan 8.290 nan 0.000 0.508 186 V N -2.495 117.356 119.914 -0.104 0.000 3.230 186 V HA 0.228 4.348 4.120 -0.000 0.000 0.302 186 V C 1.306 177.347 176.094 -0.089 0.000 1.158 186 V CA 1.053 63.314 62.300 -0.064 0.000 1.279 186 V CB 0.668 32.474 31.823 -0.028 0.000 0.983 186 V HN 0.215 nan 8.190 nan 0.000 0.506 187 D N 1.082 121.413 120.400 -0.114 0.000 2.213 187 D HA 0.158 4.797 4.640 -0.000 0.000 0.205 187 D C 0.101 176.063 176.300 -0.563 0.000 0.961 187 D CA 1.376 55.177 54.000 -0.332 0.000 0.853 187 D CB 0.161 40.749 40.800 -0.353 0.000 0.967 187 D HN 0.572 nan 8.370 nan 0.000 0.496 188 F N -0.277 119.677 119.950 0.006 0.000 2.613 188 F HA 0.371 4.897 4.527 -0.000 0.000 0.314 188 F C -0.314 175.502 175.800 0.028 0.000 1.075 188 F CA -1.107 56.917 58.000 0.039 0.000 0.945 188 F CB 2.115 41.148 39.000 0.055 0.000 1.310 188 F HN -0.456 nan 8.300 nan 0.000 0.467 189 V N 2.213 122.265 119.914 0.231 0.000 2.378 189 V HA 0.708 4.828 4.120 -0.000 0.000 0.288 189 V C -0.450 175.715 176.094 0.117 0.000 1.016 189 V CA -0.839 61.535 62.300 0.123 0.000 0.840 189 V CB 1.303 33.162 31.823 0.061 0.000 0.994 189 V HN 0.857 nan 8.190 nan 0.000 0.431 190 A N 4.645 127.519 122.820 0.090 0.000 2.252 190 A HA 0.835 5.155 4.320 -0.000 0.000 0.309 190 A C 0.344 177.955 177.584 0.045 0.000 1.285 190 A CA -0.173 51.901 52.037 0.061 0.000 0.900 190 A CB 0.664 19.691 19.000 0.045 0.000 1.157 190 A HN 1.185 nan 8.150 nan 0.000 0.536 191 A N 2.969 125.811 122.820 0.036 0.000 2.290 191 A HA 0.639 4.959 4.320 -0.000 0.000 0.310 191 A C 0.528 178.134 177.584 0.038 0.000 1.202 191 A CA -0.349 51.702 52.037 0.023 0.000 0.837 191 A CB 0.278 19.281 19.000 0.005 0.000 1.139 191 A HN 0.810 nan 8.150 nan 0.000 0.509 192 S N 1.005 116.736 115.700 0.051 0.000 2.580 192 S HA 0.447 4.917 4.470 -0.000 0.000 0.274 192 S C -0.063 174.644 174.600 0.178 0.000 1.329 192 S CA -0.104 58.153 58.200 0.096 0.000 1.036 192 S CB -0.074 63.173 63.200 0.077 0.000 0.919 192 S HN 1.035 nan 8.310 nan 0.000 0.515 193 F N 1.346 121.281 119.950 -0.024 0.000 2.773 193 F HA -0.160 4.367 4.527 -0.000 0.000 0.251 193 F C -0.467 175.313 175.800 -0.033 0.000 1.020 193 F CA -0.143 57.838 58.000 -0.032 0.000 0.924 193 F CB -0.997 37.972 39.000 -0.051 0.000 0.919 193 F HN 0.363 nan 8.300 nan 0.000 0.846 194 I N 2.811 123.321 120.570 -0.099 0.000 2.441 194 I HA 0.125 4.295 4.170 -0.000 0.000 0.287 194 I C 1.359 177.329 176.117 -0.245 0.000 1.049 194 I CA 0.147 61.370 61.300 -0.128 0.000 1.381 194 I CB 1.395 39.354 38.000 -0.067 0.000 1.409 194 I HN 0.386 nan 8.210 nan 0.000 0.523 195 R N 4.361 124.720 120.500 -0.235 0.000 2.394 195 R HA 0.191 4.530 4.340 -0.000 0.000 0.220 195 R C -0.325 175.894 176.300 -0.135 0.000 0.887 195 R CA 0.205 56.160 56.100 -0.243 0.000 1.034 195 R CB 0.658 30.780 30.300 -0.295 0.000 1.179 195 R HN 0.615 nan 8.270 nan 0.000 0.561 196 K N -0.705 119.632 120.400 -0.106 0.000 2.607 196 K HA 0.207 4.527 4.320 -0.000 0.000 0.287 196 K C -0.190 176.368 176.600 -0.070 0.000 0.996 196 K CA -0.926 55.315 56.287 -0.078 0.000 0.876 196 K CB 1.249 33.711 32.500 -0.063 0.000 1.496 196 K HN -0.155 nan 8.250 nan 0.000 0.415 197 R N 0.268 120.728 120.500 -0.066 0.000 2.127 197 R HA -0.166 4.173 4.340 -0.000 0.000 0.238 197 R C 1.565 177.837 176.300 -0.047 0.000 1.134 197 R CA 2.497 58.558 56.100 -0.064 0.000 0.975 197 R CB -0.465 29.795 30.300 -0.066 0.000 0.865 197 R HN 0.711 nan 8.270 nan 0.000 0.447 198 S N 0.659 116.335 115.700 -0.039 0.000 2.399 198 S HA -0.160 4.310 4.470 -0.000 0.000 0.231 198 S C 1.297 175.883 174.600 -0.023 0.000 1.022 198 S CA 1.301 59.486 58.200 -0.024 0.000 0.983 198 S CB -0.197 62.993 63.200 -0.017 0.000 0.803 198 S HN 0.384 nan 8.310 nan 0.000 0.480 199 D N 1.738 122.117 120.400 -0.036 0.000 2.104 199 D HA -0.069 4.571 4.640 -0.000 0.000 0.194 199 D C 2.216 178.496 176.300 -0.034 0.000 0.994 199 D CA 1.438 55.415 54.000 -0.037 0.000 0.830 199 D CB -0.739 40.029 40.800 -0.054 0.000 0.959 199 D HN 0.394 nan 8.370 nan 0.000 0.452 200 V N 1.811 121.701 119.914 -0.039 0.000 2.324 200 V HA -0.245 3.875 4.120 -0.000 0.000 0.250 200 V C 2.552 178.638 176.094 -0.015 0.000 1.060 200 V CA 1.202 63.483 62.300 -0.032 0.000 1.042 200 V CB -0.459 31.337 31.823 -0.045 0.000 0.650 200 V HN 0.237 nan 8.190 nan 0.000 0.450 201 I N 0.005 120.568 120.570 -0.011 0.000 2.394 201 I HA -0.194 3.976 4.170 -0.000 0.000 0.251 201 I C 2.543 178.681 176.117 0.034 0.000 1.136 201 I CA 1.486 62.790 61.300 0.006 0.000 1.425 201 I CB -0.680 37.320 38.000 -0.000 0.000 1.079 201 I HN 0.487 nan 8.210 nan 0.000 0.425 202 E N 1.042 121.261 120.200 0.031 0.000 2.150 202 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 202 E C 2.292 178.938 176.600 0.077 0.000 0.985 202 E CA 1.077 57.521 56.400 0.074 0.000 0.814 202 E CB 0.039 29.763 29.700 0.039 0.000 0.752 202 E HN 0.520 nan 8.360 nan 0.000 0.466 203 I N 0.484 121.055 120.570 0.002 0.000 2.277 203 I HA -0.191 3.979 4.170 -0.000 0.000 0.243 203 I C 2.644 178.795 176.117 0.057 0.000 1.094 203 I CA 0.714 62.002 61.300 -0.021 0.000 1.393 203 I CB -0.114 37.861 38.000 -0.040 0.000 1.078 203 I HN -0.046 nan 8.210 nan 0.000 0.417 204 R N 1.034 121.563 120.500 0.049 0.000 2.120 204 R HA -0.174 4.165 4.340 -0.000 0.000 0.234 204 R C 2.032 178.380 176.300 0.080 0.000 1.123 204 R CA 1.411 57.543 56.100 0.054 0.000 0.975 204 R CB -0.005 30.312 30.300 0.028 0.000 0.866 204 R HN 0.385 nan 8.270 nan 0.000 0.446 205 E N -1.501 118.764 120.200 0.109 0.000 2.158 205 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 205 E C 1.710 178.376 176.600 0.110 0.000 0.982 205 E CA 0.625 57.080 56.400 0.092 0.000 0.823 205 E CB 0.022 29.768 29.700 0.077 0.000 0.766 205 E HN 0.561 nan 8.360 nan 0.000 0.468 206 H N 0.503 119.601 119.070 0.046 0.000 2.321 206 H HA -0.097 4.459 4.556 -0.000 0.000 0.300 206 H C 2.325 177.730 175.328 0.129 0.000 1.087 206 H CA 1.041 57.145 56.048 0.093 0.000 1.319 206 H CB 0.090 29.887 29.762 0.058 0.000 1.379 206 H HN 0.140 nan 8.280 nan 0.000 0.501 207 L N 0.580 121.924 121.223 0.202 0.000 2.093 207 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 207 L C 2.629 179.558 176.870 0.100 0.000 1.085 207 L CA 1.110 56.029 54.840 0.132 0.000 0.755 207 L CB -0.246 41.860 42.059 0.078 0.000 0.904 207 L HN 0.135 nan 8.230 nan 0.000 0.435 208 K N 0.451 120.891 120.400 0.068 0.000 2.211 208 K HA -0.102 4.218 4.320 -0.000 0.000 0.203 208 K C 1.994 178.582 176.600 -0.019 0.000 1.050 208 K CA 1.004 57.303 56.287 0.019 0.000 0.945 208 K CB 0.007 32.515 32.500 0.012 0.000 0.732 208 K HN 0.266 nan 8.250 nan 0.000 0.451 209 A N -0.282 122.524 122.820 -0.024 0.000 2.168 209 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 209 A C 0.503 177.845 177.584 -0.403 0.000 1.152 209 A CA 1.040 52.966 52.037 -0.186 0.000 0.716 209 A CB -0.310 18.567 19.000 -0.205 0.000 0.794 209 A HN 0.419 nan 8.150 nan 0.000 0.465 210 H N -2.298 116.757 119.070 -0.025 0.000 2.575 210 H HA 0.397 4.953 4.556 -0.000 0.000 0.256 210 H C 1.201 176.510 175.328 -0.031 0.000 1.162 210 H CA 0.252 56.283 56.048 -0.028 0.000 0.969 210 H CB 0.460 30.208 29.762 -0.022 0.000 1.796 210 H HN 0.451 nan 8.280 nan 0.000 0.607 211 G N 0.279 109.088 108.800 0.015 0.000 2.162 211 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.260 211 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.260 211 G C 1.101 176.003 174.900 0.003 0.000 0.976 211 G CA 0.301 45.402 45.100 0.001 0.000 0.655 211 G HN 0.632 nan 8.290 nan 0.000 0.533 212 G N 0.059 108.873 108.800 0.023 0.000 3.820 212 G HA2 0.516 4.476 3.960 -0.000 0.000 0.293 212 G HA3 0.516 4.476 3.960 -0.000 0.000 0.293 212 G C 0.843 175.749 174.900 0.009 0.000 1.152 212 G CA 0.716 45.820 45.100 0.007 0.000 0.921 212 G HN 0.653 nan 8.290 nan 0.000 0.544 213 E N -0.001 120.202 120.200 0.005 0.000 2.265 213 E HA -0.135 4.215 4.350 -0.000 0.000 0.196 213 E C 1.291 177.896 176.600 0.009 0.000 0.996 213 E CA 0.961 57.366 56.400 0.008 0.000 0.832 213 E CB -0.085 29.614 29.700 -0.002 0.000 0.756 213 E HN 0.424 nan 8.360 nan 0.000 0.491 214 N N 0.161 118.854 118.700 -0.011 0.000 2.270 214 N HA 0.193 4.933 4.740 -0.000 0.000 0.198 214 N C -0.522 174.954 175.510 -0.057 0.000 1.117 214 N CA -0.127 52.908 53.050 -0.025 0.000 0.845 214 N CB 0.460 38.911 38.487 -0.059 0.000 0.980 214 N HN 0.090 nan 8.380 nan 0.000 0.486 215 I N 1.297 121.850 120.570 -0.028 0.000 2.395 215 I HA 0.078 4.247 4.170 -0.000 0.000 0.289 215 I C 0.033 176.198 176.117 0.080 0.000 1.023 215 I CA -0.574 60.693 61.300 -0.055 0.000 1.350 215 I CB 0.494 38.477 38.000 -0.030 0.000 1.409 215 I HN 0.111 nan 8.210 nan 0.000 0.507 216 H N 6.341 125.354 119.070 -0.096 0.000 2.683 216 H HA 0.420 4.976 4.556 -0.000 0.000 0.339 216 H C -0.272 175.176 175.328 0.200 0.000 1.081 216 H CA -0.244 55.851 56.048 0.078 0.000 1.432 216 H CB 0.860 30.776 29.762 0.256 0.000 1.462 216 H HN 0.385 nan 8.280 nan 0.000 0.557 217 I N 4.700 125.412 120.570 0.236 0.000 2.355 217 I HA 0.109 4.279 4.170 -0.000 0.000 0.288 217 I C -0.335 175.847 176.117 0.107 0.000 0.999 217 I CA -0.518 60.868 61.300 0.145 0.000 1.163 217 I CB 0.994 39.032 38.000 0.063 0.000 1.316 217 I HN 0.285 nan 8.210 nan 0.000 0.454 218 I N 5.497 126.132 120.570 0.108 0.000 2.291 218 I HA 0.219 4.389 4.170 -0.000 0.000 0.290 218 I C 0.321 176.455 176.117 0.029 0.000 1.050 218 I CA -0.122 61.205 61.300 0.046 0.000 1.245 218 I CB 0.661 38.663 38.000 0.004 0.000 1.405 218 I HN 0.434 nan 8.210 nan 0.000 0.478 219 S N 6.960 122.670 115.700 0.016 0.000 2.523 219 S HA 0.282 4.751 4.470 -0.000 0.000 0.275 219 S C 0.289 174.911 174.600 0.037 0.000 1.281 219 S CA -0.763 57.446 58.200 0.015 0.000 1.050 219 S CB 0.742 63.936 63.200 -0.010 0.000 0.937 219 S HN 0.371 nan 8.310 nan 0.000 0.492 220 K N 3.094 123.517 120.400 0.037 0.000 2.263 220 K HA 0.280 4.600 4.320 -0.000 0.000 0.282 220 K C -0.573 176.054 176.600 0.046 0.000 1.089 220 K CA -0.487 55.829 56.287 0.048 0.000 0.907 220 K CB 0.371 32.905 32.500 0.057 0.000 1.148 220 K HN 0.428 nan 8.250 nan 0.000 0.470 221 I N 3.155 123.760 120.570 0.059 0.000 2.436 221 I HA 0.034 4.204 4.170 -0.000 0.000 0.289 221 I C 0.786 176.921 176.117 0.030 0.000 1.083 221 I CA 0.495 61.822 61.300 0.044 0.000 1.372 221 I CB 0.394 38.445 38.000 0.086 0.000 1.408 221 I HN 0.757 nan 8.210 nan 0.000 0.516 222 E N 3.990 124.201 120.200 0.018 0.000 2.702 222 E HA 0.077 4.427 4.350 -0.000 0.000 0.225 222 E C -0.209 176.437 176.600 0.076 0.000 0.942 222 E CA -0.137 56.310 56.400 0.079 0.000 1.210 222 E CB 0.734 30.552 29.700 0.198 0.000 1.143 222 E HN 0.797 nan 8.360 nan 0.000 0.544 223 N N -0.755 117.934 118.700 -0.018 0.000 3.039 223 N HA -0.020 4.719 4.740 -0.000 0.000 0.257 223 N C 0.464 175.946 175.510 -0.046 0.000 1.497 223 N CA -0.385 52.656 53.050 -0.015 0.000 0.861 223 N CB 1.020 39.499 38.487 -0.014 0.000 1.479 223 N HN -0.229 nan 8.380 nan 0.000 0.547 224 Q N 0.449 120.234 119.800 -0.025 0.000 2.084 224 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 224 Q C 1.504 177.482 176.000 -0.037 0.000 0.978 224 Q CA 2.224 58.016 55.803 -0.019 0.000 0.844 224 Q CB -0.273 28.463 28.738 -0.002 0.000 0.898 224 Q HN 0.762 nan 8.270 nan 0.000 0.426 225 E N -1.423 118.733 120.200 -0.073 0.000 2.031 225 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 225 E C 1.793 178.346 176.600 -0.077 0.000 0.994 225 E CA 1.169 57.518 56.400 -0.084 0.000 0.800 225 E CB -0.560 29.055 29.700 -0.141 0.000 0.752 225 E HN 0.541 nan 8.360 nan 0.000 0.447 226 G N 1.257 109.982 108.800 -0.124 0.000 2.446 226 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 226 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 226 G C 1.493 176.411 174.900 0.030 0.000 1.168 226 G CA 0.870 45.925 45.100 -0.075 0.000 0.771 226 G HN 0.267 nan 8.290 nan 0.000 0.551 227 L N 1.518 122.749 121.223 0.014 0.000 2.013 227 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 227 L C 2.389 179.304 176.870 0.076 0.000 1.073 227 L CA 2.035 56.900 54.840 0.041 0.000 0.753 227 L CB -0.832 41.224 42.059 -0.005 0.000 0.890 227 L HN 0.126 nan 8.230 nan 0.000 0.432 228 N N 0.127 118.847 118.700 0.034 0.000 2.094 228 N HA -0.178 4.561 4.740 -0.000 0.000 0.191 228 N C 1.219 176.761 175.510 0.053 0.000 1.023 228 N CA 1.485 54.556 53.050 0.035 0.000 0.857 228 N CB -0.536 37.955 38.487 0.007 0.000 1.013 228 N HN 0.457 nan 8.380 nan 0.000 0.426 229 N N 0.222 118.946 118.700 0.040 0.000 2.314 229 N HA 0.009 4.748 4.740 -0.000 0.000 0.200 229 N C 1.055 176.578 175.510 0.021 0.000 1.135 229 N CA -0.253 52.806 53.050 0.014 0.000 0.835 229 N CB -0.252 38.218 38.487 -0.027 0.000 0.989 229 N HN 0.126 nan 8.380 nan 0.000 0.478 230 F N 2.522 122.449 119.950 -0.039 0.000 2.063 230 F HA -0.314 4.213 4.527 -0.000 0.000 0.297 230 F C 1.544 177.328 175.800 -0.027 0.000 1.099 230 F CA 1.866 59.846 58.000 -0.033 0.000 1.220 230 F CB -0.110 38.876 39.000 -0.023 0.000 0.972 230 F HN 0.023 nan 8.300 nan 0.000 0.487 231 D N -0.117 120.227 120.400 -0.093 0.000 2.104 231 D HA -0.226 4.414 4.640 -0.000 0.000 0.194 231 D C 2.229 178.390 176.300 -0.231 0.000 0.994 231 D CA 1.757 55.645 54.000 -0.187 0.000 0.830 231 D CB -0.734 40.056 40.800 -0.016 0.000 0.959 231 D HN 0.692 nan 8.370 nan 0.000 0.452 232 E N 0.574 120.685 120.200 -0.147 0.000 2.268 232 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 232 E C 2.066 178.558 176.600 -0.180 0.000 0.995 232 E CA 0.469 56.789 56.400 -0.133 0.000 0.836 232 E CB -0.268 29.384 29.700 -0.080 0.000 0.763 232 E HN 0.267 nan 8.360 nan 0.000 0.491 233 I N 0.845 121.270 120.570 -0.243 0.000 2.163 233 I HA -0.242 3.928 4.170 -0.000 0.000 0.240 233 I C 2.529 178.469 176.117 -0.294 0.000 1.081 233 I CA 0.699 61.854 61.300 -0.241 0.000 1.353 233 I CB -0.313 37.562 38.000 -0.209 0.000 1.054 233 I HN 0.172 nan 8.210 nan 0.000 0.407 234 L N 0.890 121.798 121.223 -0.525 0.000 1.997 234 L HA -0.299 4.041 4.340 -0.000 0.000 0.216 234 L C 2.518 179.231 176.870 -0.262 0.000 1.074 234 L CA 2.065 56.608 54.840 -0.494 0.000 0.763 234 L CB -0.874 40.721 42.059 -0.773 0.000 0.890 234 L HN 0.311 nan 8.230 nan 0.000 0.434 235 E N -0.412 119.655 120.200 -0.222 0.000 2.085 235 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 235 E C 1.959 178.490 176.600 -0.114 0.000 0.994 235 E CA 1.481 57.798 56.400 -0.138 0.000 0.801 235 E CB -0.105 29.529 29.700 -0.109 0.000 0.743 235 E HN 0.631 nan 8.360 nan 0.000 0.453 236 A N 0.502 123.251 122.820 -0.118 0.000 2.016 236 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 236 A C 1.581 179.114 177.584 -0.085 0.000 1.162 236 A CA 0.629 52.613 52.037 -0.088 0.000 0.662 236 A CB 0.001 18.954 19.000 -0.077 0.000 0.812 236 A HN 0.221 nan 8.150 nan 0.000 0.450 237 S N -0.110 115.528 115.700 -0.103 0.000 2.713 237 S HA 0.290 4.760 4.470 -0.000 0.000 0.277 237 S C 0.011 174.553 174.600 -0.096 0.000 1.168 237 S CA -0.417 57.735 58.200 -0.080 0.000 0.994 237 S CB 0.604 63.763 63.200 -0.069 0.000 1.054 237 S HN 0.401 nan 8.310 nan 0.000 0.555 238 D N 0.154 120.499 120.400 -0.091 0.000 2.379 238 D HA 0.318 4.957 4.640 -0.000 0.000 0.208 238 D C 0.704 176.954 176.300 -0.082 0.000 1.065 238 D CA 0.392 54.288 54.000 -0.172 0.000 0.848 238 D CB 0.660 41.236 40.800 -0.372 0.000 0.949 238 D HN 0.642 nan 8.370 nan 0.000 0.509 239 G N 0.176 108.954 108.800 -0.036 0.000 2.320 239 G HA2 0.389 4.349 3.960 -0.000 0.000 0.296 239 G HA3 0.389 4.349 3.960 -0.000 0.000 0.296 239 G C -1.881 173.020 174.900 0.001 0.000 1.306 239 G CA -0.652 44.440 45.100 -0.014 0.000 0.836 239 G HN -0.054 nan 8.290 nan 0.000 0.517 240 I N 0.210 120.793 120.570 0.021 0.000 2.894 240 I HA 0.580 4.750 4.170 -0.000 0.000 0.302 240 I C -0.701 175.435 176.117 0.032 0.000 1.188 240 I CA -0.736 60.598 61.300 0.057 0.000 1.014 240 I CB 2.283 40.378 38.000 0.160 0.000 1.242 240 I HN 0.691 nan 8.210 nan 0.000 0.430 241 M N 5.345 124.968 119.600 0.039 0.000 2.093 241 M HA 0.445 4.925 4.480 -0.000 0.000 0.297 241 M C -1.725 174.594 176.300 0.032 0.000 0.938 241 M CA -0.632 54.679 55.300 0.018 0.000 0.920 241 M CB 1.508 34.113 32.600 0.009 0.000 1.517 241 M HN 0.262 nan 8.290 nan 0.000 0.427 242 V N 4.627 124.552 119.914 0.019 0.000 2.408 242 V HA 0.456 4.576 4.120 -0.000 0.000 0.267 242 V C 0.489 176.585 176.094 0.004 0.000 1.047 242 V CA -0.432 61.870 62.300 0.003 0.000 0.937 242 V CB 0.586 32.397 31.823 -0.019 0.000 0.999 242 V HN 0.870 nan 8.190 nan 0.000 0.472 243 A N 5.292 128.119 122.820 0.012 0.000 2.838 243 A HA 0.495 4.815 4.320 -0.000 0.000 0.337 243 A C 1.274 178.865 177.584 0.012 0.000 1.383 243 A CA -0.623 51.425 52.037 0.019 0.000 0.985 243 A CB -0.069 18.954 19.000 0.038 0.000 1.157 243 A HN 0.889 nan 8.150 nan 0.000 0.497 244 R N 1.296 121.796 120.500 -0.000 0.000 2.097 244 R HA -0.172 4.167 4.340 -0.000 0.000 0.236 244 R C 2.348 178.649 176.300 0.001 0.000 1.135 244 R CA 2.134 58.229 56.100 -0.008 0.000 0.934 244 R CB -0.631 29.659 30.300 -0.018 0.000 0.846 244 R HN 0.664 nan 8.270 nan 0.000 0.431 245 G N 1.230 110.033 108.800 0.006 0.000 2.599 245 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.219 245 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.219 245 G C 0.740 175.651 174.900 0.020 0.000 1.193 245 G CA 1.845 46.952 45.100 0.011 0.000 0.778 245 G HN 0.366 nan 8.290 nan 0.000 0.589 246 D N 0.092 120.510 120.400 0.031 0.000 2.144 246 D HA -0.029 4.610 4.640 -0.000 0.000 0.199 246 D C 2.511 178.840 176.300 0.049 0.000 0.984 246 D CA 0.407 54.436 54.000 0.049 0.000 0.834 246 D CB -0.165 40.679 40.800 0.074 0.000 0.955 246 D HN 0.304 nan 8.370 nan 0.000 0.465 247 L N 0.480 121.723 121.223 0.034 0.000 2.046 247 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 247 L C 2.401 179.283 176.870 0.019 0.000 1.077 247 L CA 1.329 56.183 54.840 0.023 0.000 0.747 247 L CB -0.574 41.488 42.059 0.004 0.000 0.896 247 L HN 0.172 nan 8.230 nan 0.000 0.432 248 G N -1.516 107.292 108.800 0.013 0.000 2.708 248 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.210 248 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.210 248 G C 1.331 176.240 174.900 0.015 0.000 1.141 248 G CA 0.473 45.578 45.100 0.009 0.000 0.788 248 G HN 0.240 nan 8.290 nan 0.000 0.531 249 V N -0.498 119.430 119.914 0.023 0.000 2.788 249 V HA 0.062 4.182 4.120 -0.000 0.000 0.241 249 V C 2.339 178.452 176.094 0.031 0.000 1.083 249 V CA 0.846 63.162 62.300 0.025 0.000 1.103 249 V CB 0.370 32.209 31.823 0.028 0.000 0.800 249 V HN 0.265 nan 8.190 nan 0.000 0.476 250 E N 0.616 120.839 120.200 0.038 0.000 2.230 250 E HA 0.133 4.483 4.350 -0.000 0.000 0.192 250 E C 0.665 177.282 176.600 0.029 0.000 0.987 250 E CA 0.644 57.068 56.400 0.040 0.000 0.841 250 E CB 0.513 30.246 29.700 0.055 0.000 0.783 250 E HN 0.676 nan 8.360 nan 0.000 0.481 251 I N -2.243 118.341 120.570 0.023 0.000 3.145 251 I HA 0.473 4.643 4.170 -0.000 0.000 0.313 251 I C -2.732 173.397 176.117 0.020 0.000 1.122 251 I CA -3.045 58.267 61.300 0.020 0.000 0.987 251 I CB 1.798 39.808 38.000 0.017 0.000 1.236 251 I HN -0.367 nan 8.210 nan 0.000 0.453 252 P HA 0.021 nan 4.420 nan 0.000 0.261 252 P C 1.264 178.579 177.300 0.025 0.000 1.203 252 P CA -0.230 62.885 63.100 0.024 0.000 0.767 252 P CB 0.594 32.311 31.700 0.029 0.000 0.785 253 V N 3.409 123.334 119.914 0.017 0.000 2.252 253 V HA -0.339 3.781 4.120 -0.000 0.000 0.255 253 V C 2.017 178.118 176.094 0.011 0.000 1.071 253 V CA 2.341 64.647 62.300 0.009 0.000 1.050 253 V CB -1.540 30.285 31.823 0.004 0.000 0.654 253 V HN 0.614 nan 8.190 nan 0.000 0.448 254 E N 0.458 120.676 120.200 0.030 0.000 2.401 254 E HA -0.242 4.108 4.350 -0.000 0.000 0.199 254 E C 1.746 178.413 176.600 0.112 0.000 1.023 254 E CA 1.555 57.987 56.400 0.055 0.000 0.859 254 E CB -0.316 29.427 29.700 0.072 0.000 0.780 254 E HN 0.758 nan 8.360 nan 0.000 0.523 255 E N 0.759 121.017 120.200 0.097 0.000 2.250 255 E HA 0.003 4.353 4.350 -0.000 0.000 0.192 255 E C 2.331 178.979 176.600 0.080 0.000 0.986 255 E CA 0.525 57.010 56.400 0.140 0.000 0.849 255 E CB 0.109 29.859 29.700 0.082 0.000 0.797 255 E HN 0.167 nan 8.360 nan 0.000 0.482 256 V N 2.440 122.362 119.914 0.013 0.000 2.380 256 V HA -0.276 3.844 4.120 -0.000 0.000 0.251 256 V C 2.461 178.511 176.094 -0.073 0.000 1.063 256 V CA 1.968 64.253 62.300 -0.024 0.000 1.055 256 V CB -0.861 30.944 31.823 -0.029 0.000 0.657 256 V HN 0.309 nan 8.190 nan 0.000 0.455 257 I N -3.504 116.967 120.570 -0.164 0.000 2.617 257 I HA -0.066 4.103 4.170 -0.000 0.000 0.256 257 I C 2.218 178.192 176.117 -0.237 0.000 1.167 257 I CA 1.445 62.594 61.300 -0.251 0.000 1.469 257 I CB -0.638 37.132 38.000 -0.383 0.000 1.098 257 I HN 0.096 nan 8.210 nan 0.000 0.436 258 F N 2.045 121.968 119.950 -0.045 0.000 2.325 258 F HA 0.094 4.621 4.527 -0.000 0.000 0.299 258 F C 2.683 178.437 175.800 -0.077 0.000 1.090 258 F CA 0.817 58.786 58.000 -0.052 0.000 1.392 258 F CB -0.734 38.242 39.000 -0.041 0.000 1.053 258 F HN 0.077 nan 8.300 nan 0.000 0.521 259 A N -0.377 122.477 122.820 0.056 0.000 1.873 259 A HA -0.232 4.088 4.320 -0.000 0.000 0.215 259 A C 2.210 179.728 177.584 -0.109 0.000 1.186 259 A CA 1.550 53.560 52.037 -0.045 0.000 0.616 259 A CB -0.979 17.991 19.000 -0.050 0.000 0.823 259 A HN 0.405 nan 8.150 nan 0.000 0.442 260 Q N 0.031 119.779 119.800 -0.086 0.000 2.062 260 Q HA -0.291 4.048 4.340 -0.000 0.000 0.209 260 Q C 2.008 177.962 176.000 -0.077 0.000 0.996 260 Q CA 2.383 58.133 55.803 -0.089 0.000 0.859 260 Q CB -0.204 28.489 28.738 -0.074 0.000 0.920 260 Q HN 0.683 nan 8.270 nan 0.000 0.415 261 K N -0.035 120.339 120.400 -0.043 0.000 2.009 261 K HA -0.191 4.128 4.320 -0.000 0.000 0.210 261 K C 2.280 178.870 176.600 -0.016 0.000 1.049 261 K CA 1.649 57.931 56.287 -0.009 0.000 0.929 261 K CB -0.350 32.178 32.500 0.046 0.000 0.714 261 K HN 0.346 nan 8.250 nan 0.000 0.440 262 M N 0.808 120.393 119.600 -0.026 0.000 2.110 262 M HA -0.273 4.207 4.480 -0.000 0.000 0.257 262 M C 2.179 178.400 176.300 -0.133 0.000 1.071 262 M CA 1.901 57.162 55.300 -0.064 0.000 1.096 262 M CB -0.263 32.278 32.600 -0.099 0.000 1.300 262 M HN 0.262 nan 8.290 nan 0.000 0.411 263 M N -0.378 119.052 119.600 -0.283 0.000 2.086 263 M HA -0.233 4.247 4.480 -0.000 0.000 0.261 263 M C 2.111 178.362 176.300 -0.081 0.000 1.067 263 M CA 1.548 56.576 55.300 -0.453 0.000 1.116 263 M CB -0.440 31.731 32.600 -0.715 0.000 1.348 263 M HN 0.302 nan 8.290 nan 0.000 0.407 264 I N 0.114 120.655 120.570 -0.049 0.000 2.151 264 I HA -0.348 3.822 4.170 -0.000 0.000 0.243 264 I C 2.647 178.801 176.117 0.061 0.000 1.080 264 I CA 1.722 63.037 61.300 0.025 0.000 1.339 264 I CB -0.644 37.370 38.000 0.023 0.000 1.039 264 I HN 0.442 nan 8.210 nan 0.000 0.409 265 E N 1.967 122.196 120.200 0.050 0.000 2.085 265 E HA -0.279 4.071 4.350 -0.000 0.000 0.194 265 E C 1.982 178.633 176.600 0.085 0.000 0.994 265 E CA 1.589 58.030 56.400 0.069 0.000 0.801 265 E CB -0.071 29.660 29.700 0.052 0.000 0.743 265 E HN 0.493 nan 8.360 nan 0.000 0.453 266 K N -0.114 120.354 120.400 0.114 0.000 2.288 266 K HA -0.016 4.303 4.320 -0.000 0.000 0.201 266 K C 2.315 179.003 176.600 0.146 0.000 1.048 266 K CA 0.886 57.268 56.287 0.158 0.000 0.956 266 K CB -0.080 32.589 32.500 0.282 0.000 0.746 266 K HN 0.201 nan 8.250 nan 0.000 0.461 267 C N 0.887 120.281 119.300 0.156 0.000 2.432 267 C HA -0.072 4.388 4.460 -0.000 0.000 0.277 267 C C 2.467 177.479 174.990 0.037 0.000 1.249 267 C CA 0.545 59.623 59.018 0.101 0.000 1.725 267 C CB -0.565 27.232 27.740 0.095 0.000 2.028 267 C HN 0.400 nan 8.230 nan 0.000 0.477 268 I N 0.320 120.913 120.570 0.039 0.000 2.252 268 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 268 I C 2.726 178.819 176.117 -0.039 0.000 1.102 268 I CA 1.448 62.739 61.300 -0.015 0.000 1.385 268 I CB -0.418 37.602 38.000 0.033 0.000 1.064 268 I HN 0.254 nan 8.210 nan 0.000 0.414 269 R N 0.471 120.972 120.500 0.002 0.000 2.105 269 R HA -0.117 4.223 4.340 -0.000 0.000 0.239 269 R C 2.183 178.471 176.300 -0.019 0.000 1.135 269 R CA 1.456 57.550 56.100 -0.011 0.000 0.967 269 R CB -0.377 29.937 30.300 0.023 0.000 0.861 269 R HN 0.369 nan 8.270 nan 0.000 0.442 270 A N 0.483 123.298 122.820 -0.008 0.000 2.206 270 A HA 0.090 4.410 4.320 -0.000 0.000 0.211 270 A C 0.787 178.350 177.584 -0.035 0.000 1.158 270 A CA 0.258 52.283 52.037 -0.020 0.000 0.761 270 A CB -0.178 18.811 19.000 -0.019 0.000 0.801 270 A HN 0.401 nan 8.150 nan 0.000 0.473 271 L N -2.014 119.180 121.223 -0.047 0.000 3.730 271 L HA -0.201 4.139 4.340 -0.000 0.000 0.410 271 L C -0.506 176.339 176.870 -0.040 0.000 1.234 271 L CA 0.611 55.419 54.840 -0.053 0.000 0.911 271 L CB -2.134 39.898 42.059 -0.046 0.000 1.942 271 L HN 0.357 nan 8.230 nan 0.000 0.860 272 K N 0.739 121.119 120.400 -0.033 0.000 2.502 272 K HA 0.600 4.920 4.320 -0.000 0.000 0.254 272 K C 0.278 176.872 176.600 -0.010 0.000 0.947 272 K CA -0.767 55.505 56.287 -0.025 0.000 0.834 272 K CB 2.611 35.089 32.500 -0.037 0.000 1.112 272 K HN 0.137 nan 8.250 nan 0.000 0.427 273 V N 0.527 120.440 119.914 -0.001 0.000 3.061 273 V HA 0.189 4.309 4.120 -0.000 0.000 0.306 273 V C 0.150 176.235 176.094 -0.016 0.000 1.118 273 V CA -0.533 61.758 62.300 -0.014 0.000 1.231 273 V CB 0.906 32.714 31.823 -0.024 0.000 0.956 273 V HN 0.502 nan 8.190 nan 0.000 0.499 274 V N 4.986 124.889 119.914 -0.018 0.000 2.808 274 V HA 0.641 4.761 4.120 -0.000 0.000 0.308 274 V C -0.561 175.521 176.094 -0.020 0.000 1.099 274 V CA -0.622 61.677 62.300 -0.001 0.000 0.920 274 V CB 1.833 33.676 31.823 0.034 0.000 1.014 274 V HN 0.883 nan 8.190 nan 0.000 0.425 275 I N 4.587 125.142 120.570 -0.025 0.000 2.493 275 I HA 0.494 4.664 4.170 -0.000 0.000 0.298 275 I C -0.130 175.981 176.117 -0.011 0.000 0.998 275 I CA -0.556 60.726 61.300 -0.030 0.000 1.137 275 I CB 2.437 40.404 38.000 -0.055 0.000 1.310 275 I HN 0.528 nan 8.210 nan 0.000 0.445 276 T N 4.620 119.170 114.554 -0.007 0.000 2.749 276 T HA 0.557 4.906 4.350 -0.000 0.000 0.287 276 T C 0.425 175.123 174.700 -0.003 0.000 0.970 276 T CA -0.335 61.762 62.100 -0.005 0.000 0.980 276 T CB 1.841 70.707 68.868 -0.005 0.000 0.924 276 T HN 0.798 nan 8.240 nan 0.000 0.456 277 A N 3.448 126.268 122.820 -0.001 0.000 1.976 277 A HA 0.494 4.814 4.320 -0.000 0.000 0.199 277 A C 1.409 178.998 177.584 0.007 0.000 2.152 277 A CA 0.024 52.063 52.037 0.004 0.000 1.086 277 A CB -0.581 18.424 19.000 0.009 0.000 1.181 277 A HN 0.726 nan 8.150 nan 0.000 0.642 278 T N -2.916 111.643 114.554 0.010 0.000 2.689 278 T HA 0.395 4.745 4.350 -0.000 0.000 0.308 278 T C 0.649 175.354 174.700 0.007 0.000 1.021 278 T CA 0.493 62.601 62.100 0.013 0.000 0.973 278 T CB -0.039 68.839 68.868 0.016 0.000 1.113 278 T HN 0.666 nan 8.240 nan 0.000 0.522 279 M N 0.038 119.643 119.600 0.009 0.000 2.253 279 M HA -0.199 4.281 4.480 -0.000 0.000 0.199 279 M C 0.649 176.950 176.300 0.001 0.000 0.342 279 M CA 0.204 55.507 55.300 0.004 0.000 0.417 279 M CB -1.164 31.436 32.600 -0.001 0.000 1.338 279 M HN 0.625 nan 8.290 nan 0.000 0.920 280 M N -0.765 118.837 119.600 0.005 0.000 2.206 280 M HA 0.141 4.620 4.480 -0.000 0.000 0.249 280 M C 1.329 177.631 176.300 0.004 0.000 1.125 280 M CA 1.564 56.865 55.300 0.003 0.000 1.166 280 M CB -0.300 32.303 32.600 0.006 0.000 1.266 280 M HN 0.468 nan 8.290 nan 0.000 0.445 281 L N 0.663 121.891 121.223 0.009 0.000 3.168 281 L HA 0.173 4.512 4.340 -0.000 0.000 0.277 281 L C 0.545 177.424 176.870 0.014 0.000 1.308 281 L CA -0.456 54.389 54.840 0.008 0.000 0.976 281 L CB 0.139 42.204 42.059 0.011 0.000 1.383 281 L HN 0.175 nan 8.230 nan 0.000 0.572 282 D N 0.560 120.968 120.400 0.013 0.000 2.149 282 D HA -0.193 4.447 4.640 -0.000 0.000 0.198 282 D C 2.248 178.560 176.300 0.021 0.000 0.990 282 D CA 1.890 55.901 54.000 0.018 0.000 0.839 282 D CB 0.220 41.029 40.800 0.015 0.000 0.948 282 D HN 0.453 nan 8.370 nan 0.000 0.460 283 S N 0.515 116.222 115.700 0.012 0.000 2.402 283 S HA -0.194 4.276 4.470 -0.000 0.000 0.233 283 S C 1.914 176.528 174.600 0.022 0.000 1.030 283 S CA 0.865 59.072 58.200 0.011 0.000 1.003 283 S CB -0.504 62.694 63.200 -0.004 0.000 0.813 283 S HN 0.263 nan 8.310 nan 0.000 0.477 284 M N 0.387 120.001 119.600 0.025 0.000 2.700 284 M HA 0.166 4.645 4.480 -0.000 0.000 0.249 284 M C 1.517 177.898 176.300 0.135 0.000 1.082 284 M CA 0.593 55.923 55.300 0.050 0.000 1.077 284 M CB -0.704 31.921 32.600 0.041 0.000 1.477 284 M HN 0.343 nan 8.290 nan 0.000 0.529 285 I N 0.517 121.142 120.570 0.093 0.000 2.614 285 I HA -0.252 3.918 4.170 -0.000 0.000 0.258 285 I C 1.993 178.196 176.117 0.143 0.000 1.189 285 I CA 1.454 62.811 61.300 0.095 0.000 1.462 285 I CB -0.024 38.004 38.000 0.048 0.000 1.092 285 I HN 0.287 nan 8.210 nan 0.000 0.442 286 K N -0.569 119.918 120.400 0.145 0.000 2.425 286 K HA 0.219 4.539 4.320 -0.000 0.000 0.201 286 K C -0.037 176.689 176.600 0.210 0.000 1.128 286 K CA 0.028 56.418 56.287 0.171 0.000 1.000 286 K CB 0.505 33.056 32.500 0.085 0.000 0.961 286 K HN 0.268 nan 8.250 nan 0.000 0.555 287 N N 0.457 119.196 118.700 0.066 0.000 2.453 287 N HA 0.199 4.939 4.740 -0.000 0.000 0.290 287 N C -2.607 172.560 175.510 -0.572 0.000 1.250 287 N CA -1.823 51.122 53.050 -0.177 0.000 0.815 287 N CB 1.679 40.088 38.487 -0.130 0.000 1.381 287 N HN -0.251 nan 8.380 nan 0.000 0.510 288 P HA 0.156 nan 4.420 nan 0.000 0.257 288 P C -0.939 176.150 177.300 -0.350 0.000 1.325 288 P CA 0.460 63.025 63.100 -0.893 0.000 0.850 288 P CB 0.384 31.530 31.700 -0.923 0.000 1.324 289 R N 0.203 120.561 120.500 -0.237 0.000 2.668 289 R HA 0.485 4.825 4.340 -0.000 0.000 0.272 289 R C -3.027 173.221 176.300 -0.087 0.000 1.019 289 R CA -1.919 54.104 56.100 -0.129 0.000 0.894 289 R CB 1.935 32.174 30.300 -0.102 0.000 1.228 289 R HN -0.083 nan 8.270 nan 0.000 0.460 290 P HA 0.172 nan 4.420 nan 0.000 0.287 290 P C -0.470 176.810 177.300 -0.034 0.000 1.296 290 P CA -0.419 62.659 63.100 -0.036 0.000 0.811 290 P CB 0.801 32.487 31.700 -0.024 0.000 1.211 291 T N -2.820 111.719 114.554 -0.025 0.000 2.922 291 T HA 0.234 4.583 4.350 -0.000 0.000 0.285 291 T C 1.308 175.996 174.700 -0.020 0.000 1.005 291 T CA -0.725 61.361 62.100 -0.022 0.000 1.061 291 T CB 0.968 69.825 68.868 -0.018 0.000 1.007 291 T HN 0.392 nan 8.240 nan 0.000 0.502 292 R N 1.326 121.815 120.500 -0.019 0.000 2.105 292 R HA -0.102 4.238 4.340 -0.000 0.000 0.239 292 R C 2.112 178.402 176.300 -0.017 0.000 1.135 292 R CA 1.991 58.080 56.100 -0.018 0.000 0.967 292 R CB -1.431 28.859 30.300 -0.017 0.000 0.861 292 R HN 0.833 nan 8.270 nan 0.000 0.442 293 A N 1.269 124.078 122.820 -0.018 0.000 1.877 293 A HA -0.161 4.158 4.320 -0.000 0.000 0.216 293 A C 2.112 179.684 177.584 -0.019 0.000 1.186 293 A CA 1.573 53.599 52.037 -0.019 0.000 0.620 293 A CB -0.479 18.509 19.000 -0.018 0.000 0.822 293 A HN 0.552 nan 8.150 nan 0.000 0.443 294 E N -0.345 119.845 120.200 -0.017 0.000 2.058 294 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 294 E C 2.336 178.927 176.600 -0.015 0.000 0.997 294 E CA 1.079 57.470 56.400 -0.015 0.000 0.801 294 E CB -0.315 29.378 29.700 -0.012 0.000 0.746 294 E HN 0.614 nan 8.360 nan 0.000 0.450 295 A N 0.922 123.734 122.820 -0.015 0.000 1.908 295 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 295 A C 2.401 179.976 177.584 -0.014 0.000 1.181 295 A CA 1.874 53.903 52.037 -0.013 0.000 0.627 295 A CB -1.112 17.880 19.000 -0.013 0.000 0.818 295 A HN 0.388 nan 8.150 nan 0.000 0.445 296 G N -0.668 108.121 108.800 -0.017 0.000 2.403 296 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.216 296 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.216 296 G C 1.324 176.210 174.900 -0.024 0.000 1.154 296 G CA 1.226 46.314 45.100 -0.020 0.000 0.784 296 G HN 0.484 nan 8.290 nan 0.000 0.538 297 D N 0.438 120.822 120.400 -0.026 0.000 2.123 297 D HA -0.124 4.516 4.640 -0.000 0.000 0.196 297 D C 2.679 178.965 176.300 -0.023 0.000 0.992 297 D CA 1.005 54.988 54.000 -0.029 0.000 0.833 297 D CB -0.243 40.540 40.800 -0.028 0.000 0.954 297 D HN 0.176 nan 8.370 nan 0.000 0.455 298 V N 0.980 120.885 119.914 -0.015 0.000 2.307 298 V HA -0.183 3.936 4.120 -0.000 0.000 0.245 298 V C 2.677 178.766 176.094 -0.007 0.000 1.045 298 V CA 1.723 64.017 62.300 -0.009 0.000 1.024 298 V CB -1.017 30.804 31.823 -0.004 0.000 0.651 298 V HN 0.277 nan 8.190 nan 0.000 0.449 299 A N 0.493 123.308 122.820 -0.009 0.000 1.892 299 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 299 A C 2.091 179.668 177.584 -0.012 0.000 1.188 299 A CA 2.312 54.344 52.037 -0.007 0.000 0.631 299 A CB -0.795 18.199 19.000 -0.010 0.000 0.822 299 A HN 0.582 nan 8.150 nan 0.000 0.447 300 N N -0.006 118.681 118.700 -0.021 0.000 2.289 300 N HA -0.078 4.662 4.740 -0.000 0.000 0.184 300 N C 1.804 177.298 175.510 -0.026 0.000 1.016 300 N CA 1.290 54.322 53.050 -0.031 0.000 0.872 300 N CB -0.374 38.087 38.487 -0.043 0.000 0.973 300 N HN 0.508 nan 8.380 nan 0.000 0.433 301 A N 0.773 123.582 122.820 -0.018 0.000 1.968 301 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 301 A C 2.265 179.854 177.584 0.009 0.000 1.169 301 A CA 0.586 52.617 52.037 -0.010 0.000 0.638 301 A CB -0.361 18.634 19.000 -0.008 0.000 0.812 301 A HN 0.178 nan 8.150 nan 0.000 0.446 302 I N -0.431 120.147 120.570 0.013 0.000 2.252 302 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 302 I C 2.164 178.298 176.117 0.028 0.000 1.102 302 I CA 0.947 62.269 61.300 0.036 0.000 1.385 302 I CB -0.241 37.781 38.000 0.036 0.000 1.064 302 I HN 0.257 nan 8.210 nan 0.000 0.414 303 L N 0.053 121.272 121.223 -0.007 0.000 2.141 303 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 303 L C 1.910 178.748 176.870 -0.054 0.000 1.094 303 L CA 0.951 55.766 54.840 -0.042 0.000 0.763 303 L CB -0.599 41.433 42.059 -0.046 0.000 0.908 303 L HN 0.202 nan 8.230 nan 0.000 0.437 304 D N 0.308 120.694 120.400 -0.025 0.000 2.263 304 D HA -0.074 4.566 4.640 -0.000 0.000 0.208 304 D C 1.639 177.945 176.300 0.011 0.000 0.971 304 D CA 1.423 55.412 54.000 -0.018 0.000 0.867 304 D CB 0.134 40.926 40.800 -0.013 0.000 0.929 304 D HN 0.418 nan 8.370 nan 0.000 0.492 305 G N -0.040 108.796 108.800 0.059 0.000 2.141 305 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.164 305 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.164 305 G C 0.484 175.527 174.900 0.239 0.000 1.009 305 G CA 0.248 45.483 45.100 0.225 0.000 0.677 305 G HN 0.375 nan 8.290 nan 0.000 0.508 306 T N -0.353 114.274 114.554 0.122 0.000 2.903 306 T HA 0.345 4.695 4.350 -0.000 0.000 0.314 306 T C 1.576 176.316 174.700 0.066 0.000 1.078 306 T CA 1.185 63.331 62.100 0.078 0.000 1.114 306 T CB 0.348 69.240 68.868 0.040 0.000 0.987 306 T HN 0.207 nan 8.240 nan 0.000 0.548 307 D N 1.484 121.895 120.400 0.019 0.000 2.183 307 D HA 0.326 4.965 4.640 -0.000 0.000 0.205 307 D C 0.458 176.758 176.300 0.001 0.000 0.962 307 D CA 0.854 54.850 54.000 -0.005 0.000 0.849 307 D CB 0.148 40.930 40.800 -0.030 0.000 0.978 307 D HN 0.622 nan 8.370 nan 0.000 0.488 308 A N -0.119 122.698 122.820 -0.006 0.000 2.527 308 A HA 0.680 5.000 4.320 -0.000 0.000 0.293 308 A C -1.150 176.432 177.584 -0.004 0.000 1.117 308 A CA -0.780 51.252 52.037 -0.009 0.000 0.723 308 A CB 1.437 20.418 19.000 -0.031 0.000 1.313 308 A HN 0.082 nan 8.150 nan 0.000 0.411 309 V N -1.285 118.629 119.914 0.000 0.000 2.680 309 V HA 0.881 5.000 4.120 -0.000 0.000 0.309 309 V C -0.395 175.700 176.094 0.002 0.000 1.052 309 V CA -0.674 61.628 62.300 0.003 0.000 0.908 309 V CB 1.464 33.292 31.823 0.008 0.000 1.001 309 V HN 1.225 nan 8.190 nan 0.000 0.431 310 M N 4.557 124.159 119.600 0.004 0.000 2.395 310 M HA 0.672 5.152 4.480 -0.000 0.000 0.307 310 M C -2.035 174.274 176.300 0.015 0.000 1.091 310 M CA -0.676 54.629 55.300 0.008 0.000 0.919 310 M CB 2.162 34.765 32.600 0.006 0.000 1.662 310 M HN 0.762 nan 8.290 nan 0.000 0.440 311 L N 3.417 124.652 121.223 0.020 0.000 2.275 311 L HA 0.418 4.758 4.340 -0.000 0.000 0.288 311 L C 0.205 177.092 176.870 0.029 0.000 1.046 311 L CA -0.227 54.627 54.840 0.024 0.000 0.805 311 L CB 1.745 43.821 42.059 0.027 0.000 1.193 311 L HN 0.895 nan 8.230 nan 0.000 0.426 312 S N 1.583 117.301 115.700 0.030 0.000 3.798 312 S HA 0.181 4.651 4.470 -0.000 0.000 0.185 312 S C 1.600 176.219 174.600 0.033 0.000 0.882 312 S CA 0.300 58.521 58.200 0.035 0.000 1.488 312 S CB -0.021 63.199 63.200 0.034 0.000 0.639 312 S HN 0.871 nan 8.310 nan 0.000 0.687 313 G N 0.889 109.707 108.800 0.030 0.000 2.485 313 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.221 313 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.221 313 G C 0.955 175.868 174.900 0.022 0.000 1.115 313 G CA 1.288 46.400 45.100 0.020 0.000 0.751 313 G HN 0.604 nan 8.290 nan 0.000 0.567 314 E N 0.529 120.748 120.200 0.032 0.000 2.209 314 E HA -0.097 4.253 4.350 -0.000 0.000 0.196 314 E C 2.571 179.194 176.600 0.040 0.000 0.993 314 E CA 1.544 57.970 56.400 0.044 0.000 0.819 314 E CB -0.010 29.716 29.700 0.044 0.000 0.745 314 E HN 0.625 nan 8.360 nan 0.000 0.477 315 S N -1.783 113.935 115.700 0.029 0.000 2.632 315 S HA 0.454 4.924 4.470 -0.000 0.000 0.237 315 S C 1.613 176.221 174.600 0.013 0.000 1.037 315 S CA -0.018 58.197 58.200 0.025 0.000 1.009 315 S CB 0.886 64.103 63.200 0.029 0.000 0.974 315 S HN 0.222 nan 8.310 nan 0.000 0.544 316 A N 3.223 126.048 122.820 0.009 0.000 1.901 316 A HA 0.285 4.605 4.320 -0.000 0.000 0.210 316 A C 1.920 179.489 177.584 -0.026 0.000 1.208 316 A CA 0.958 52.994 52.037 -0.003 0.000 0.644 316 A CB -0.088 18.915 19.000 0.005 0.000 0.863 316 A HN 0.568 nan 8.150 nan 0.000 0.454 317 K N -1.234 119.149 120.400 -0.029 0.000 2.554 317 K HA 0.250 4.570 4.320 -0.000 0.000 0.211 317 K C 0.765 177.335 176.600 -0.049 0.000 1.226 317 K CA 0.360 56.617 56.287 -0.050 0.000 1.025 317 K CB 0.067 32.527 32.500 -0.066 0.000 1.021 317 K HN 0.245 nan 8.250 nan 0.000 0.600 318 G N 1.212 109.995 108.800 -0.028 0.000 2.684 318 G HA2 0.270 4.230 3.960 -0.000 0.000 0.255 318 G HA3 0.270 4.230 3.960 -0.000 0.000 0.255 318 G C 0.784 175.621 174.900 -0.105 0.000 1.219 318 G CA 0.205 45.289 45.100 -0.027 0.000 0.901 318 G HN 0.263 nan 8.290 nan 0.000 0.548 319 K N -1.192 119.094 120.400 -0.190 0.000 2.432 319 K HA 0.151 4.471 4.320 -0.000 0.000 0.196 319 K C 0.514 176.605 176.600 -0.850 0.000 1.038 319 K CA 0.953 56.908 56.287 -0.552 0.000 0.986 319 K CB -0.337 31.765 32.500 -0.664 0.000 0.782 319 K HN 0.621 nan 8.250 nan 0.000 0.485 320 Y N -0.258 120.038 120.300 -0.006 0.000 2.614 320 Y HA 0.174 4.724 4.550 -0.000 0.000 0.296 320 Y C -1.787 174.112 175.900 -0.002 0.000 0.942 320 Y CA -2.245 55.853 58.100 -0.004 0.000 1.111 320 Y CB 1.296 39.754 38.460 -0.003 0.000 1.182 320 Y HN 0.029 nan 8.280 nan 0.000 0.624 321 P HA -0.262 nan 4.420 nan 0.000 0.215 321 P C 1.736 179.074 177.300 0.063 0.000 1.163 321 P CA 1.324 64.455 63.100 0.053 0.000 0.894 321 P CB 0.655 32.363 31.700 0.013 0.000 0.791 322 L N -0.253 121.006 121.223 0.059 0.000 2.275 322 L HA -0.083 4.257 4.340 -0.000 0.000 0.215 322 L C 2.167 179.077 176.870 0.068 0.000 1.119 322 L CA 1.813 56.686 54.840 0.055 0.000 0.790 322 L CB -1.232 40.854 42.059 0.044 0.000 0.919 322 L HN -0.180 nan 8.230 nan 0.000 0.443 323 E N -0.673 119.591 120.200 0.106 0.000 2.112 323 E HA -0.012 4.337 4.350 -0.000 0.000 0.190 323 E C 2.262 178.894 176.600 0.052 0.000 0.979 323 E CA 1.135 57.582 56.400 0.079 0.000 0.814 323 E CB -0.375 29.374 29.700 0.082 0.000 0.762 323 E HN 0.523 nan 8.360 nan 0.000 0.460 324 A N 0.526 123.388 122.820 0.070 0.000 1.930 324 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 324 A C 2.418 180.022 177.584 0.035 0.000 1.175 324 A CA 1.143 53.207 52.037 0.044 0.000 0.627 324 A CB -0.711 18.322 19.000 0.055 0.000 0.815 324 A HN 0.136 nan 8.150 nan 0.000 0.443 325 V N -0.064 119.873 119.914 0.038 0.000 2.282 325 V HA -0.271 3.849 4.120 -0.000 0.000 0.249 325 V C 2.807 178.916 176.094 0.025 0.000 1.057 325 V CA 2.480 64.798 62.300 0.030 0.000 1.032 325 V CB -0.885 30.956 31.823 0.030 0.000 0.645 325 V HN 0.562 nan 8.190 nan 0.000 0.447 326 S N -0.590 115.125 115.700 0.026 0.000 2.382 326 S HA -0.124 4.346 4.470 -0.000 0.000 0.228 326 S C 1.866 176.475 174.600 0.015 0.000 1.027 326 S CA 1.470 59.683 58.200 0.021 0.000 0.991 326 S CB -0.296 62.917 63.200 0.021 0.000 0.823 326 S HN 0.454 nan 8.310 nan 0.000 0.469 327 I N 1.257 121.833 120.570 0.011 0.000 2.500 327 I HA 0.071 4.241 4.170 -0.000 0.000 0.252 327 I C 1.945 178.066 176.117 0.006 0.000 1.142 327 I CA 0.777 62.079 61.300 0.003 0.000 1.451 327 I CB -0.725 37.271 38.000 -0.007 0.000 1.093 327 I HN 0.176 nan 8.210 nan 0.000 0.430 328 M N 1.128 120.734 119.600 0.011 0.000 2.106 328 M HA -0.167 4.313 4.480 -0.000 0.000 0.259 328 M C 2.166 178.474 176.300 0.014 0.000 1.068 328 M CA 2.332 57.640 55.300 0.013 0.000 1.100 328 M CB -1.070 31.540 32.600 0.017 0.000 1.351 328 M HN 0.287 nan 8.290 nan 0.000 0.404 329 A N -1.498 121.332 122.820 0.016 0.000 1.930 329 A HA -0.093 4.226 4.320 -0.000 0.000 0.215 329 A C 2.237 179.831 177.584 0.016 0.000 1.176 329 A CA 2.063 54.111 52.037 0.018 0.000 0.632 329 A CB -1.439 17.573 19.000 0.020 0.000 0.819 329 A HN 0.666 nan 8.150 nan 0.000 0.445 330 T N -1.070 113.491 114.554 0.012 0.000 2.821 330 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 330 T C 1.812 176.518 174.700 0.010 0.000 1.046 330 T CA 1.524 63.631 62.100 0.011 0.000 1.139 330 T CB -0.621 68.252 68.868 0.008 0.000 0.871 330 T HN 0.339 nan 8.240 nan 0.000 0.454 331 I N 0.808 121.383 120.570 0.008 0.000 2.264 331 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 331 I C 2.938 179.062 176.117 0.012 0.000 1.111 331 I CA 1.010 62.314 61.300 0.007 0.000 1.382 331 I CB -0.582 37.420 38.000 0.004 0.000 1.060 331 I HN 0.412 nan 8.210 nan 0.000 0.418 332 C N 0.225 119.535 119.300 0.017 0.000 2.462 332 C HA -0.135 4.325 4.460 -0.000 0.000 0.278 332 C C 2.882 177.888 174.990 0.026 0.000 1.253 332 C CA 0.736 59.768 59.018 0.023 0.000 1.713 332 C CB -0.850 26.905 27.740 0.026 0.000 2.049 332 C HN 0.519 nan 8.230 nan 0.000 0.477 333 E N 1.498 121.712 120.200 0.024 0.000 2.038 333 E HA -0.253 4.097 4.350 -0.000 0.000 0.195 333 E C 2.242 178.856 176.600 0.023 0.000 1.000 333 E CA 1.679 58.094 56.400 0.025 0.000 0.803 333 E CB -0.413 29.300 29.700 0.022 0.000 0.750 333 E HN 0.499 nan 8.360 nan 0.000 0.448 334 R N -0.018 120.492 120.500 0.017 0.000 2.096 334 R HA -0.044 4.296 4.340 -0.000 0.000 0.235 334 R C 2.299 178.608 176.300 0.014 0.000 1.127 334 R CA 2.217 58.326 56.100 0.014 0.000 0.968 334 R CB -0.763 29.543 30.300 0.009 0.000 0.861 334 R HN 0.149 nan 8.270 nan 0.000 0.440 335 T N 0.539 115.103 114.554 0.016 0.000 2.851 335 T HA -0.015 4.335 4.350 -0.000 0.000 0.262 335 T C 0.999 175.712 174.700 0.022 0.000 1.043 335 T CA 1.164 63.272 62.100 0.014 0.000 1.140 335 T CB -0.239 68.637 68.868 0.013 0.000 0.872 335 T HN 0.233 nan 8.240 nan 0.000 0.446 336 D N 1.596 122.016 120.400 0.034 0.000 2.149 336 D HA -0.107 4.532 4.640 -0.000 0.000 0.198 336 D C 2.256 178.583 176.300 0.045 0.000 0.990 336 D CA 0.847 54.877 54.000 0.051 0.000 0.839 336 D CB -0.284 40.551 40.800 0.058 0.000 0.948 336 D HN 0.493 nan 8.370 nan 0.000 0.460 337 R N 1.028 121.548 120.500 0.034 0.000 2.316 337 R HA -0.043 4.297 4.340 -0.000 0.000 0.202 337 R C 0.942 177.257 176.300 0.025 0.000 1.029 337 R CA 0.781 56.900 56.100 0.031 0.000 1.018 337 R CB -0.078 30.238 30.300 0.027 0.000 0.888 337 R HN 0.166 nan 8.270 nan 0.000 0.471 338 V N -1.825 118.100 119.914 0.018 0.000 3.043 338 V HA 0.389 4.508 4.120 -0.000 0.000 0.357 338 V C 0.361 176.457 176.094 0.004 0.000 1.372 338 V CA -0.587 61.719 62.300 0.010 0.000 1.214 338 V CB -0.339 31.486 31.823 0.003 0.000 1.224 338 V HN 0.084 nan 8.190 nan 0.000 0.507 339 M N 1.663 121.271 119.600 0.013 0.000 2.471 339 M HA 0.545 5.025 4.480 -0.000 0.000 0.309 339 M C -0.270 176.036 176.300 0.010 0.000 1.186 339 M CA -0.144 55.151 55.300 -0.007 0.000 1.008 339 M CB 1.545 34.144 32.600 -0.002 0.000 1.551 339 M HN 0.298 nan 8.290 nan 0.000 0.477 340 N N -0.026 118.665 118.700 -0.016 0.000 2.292 340 N HA 0.394 5.134 4.740 -0.000 0.000 0.303 340 N C -1.051 174.495 175.510 0.061 0.000 1.140 340 N CA -0.455 52.607 53.050 0.020 0.000 0.788 340 N CB 1.791 40.278 38.487 0.000 0.000 1.361 340 N HN 0.702 nan 8.380 nan 0.000 0.489 341 S N 0.671 116.436 115.700 0.108 0.000 2.580 341 S HA 0.236 4.706 4.470 -0.000 0.000 0.266 341 S C 0.105 174.799 174.600 0.158 0.000 1.354 341 S CA -0.327 57.984 58.200 0.185 0.000 1.008 341 S CB 0.712 64.005 63.200 0.155 0.000 0.898 341 S HN 0.427 nan 8.310 nan 0.000 0.555 342 R N 1.354 122.002 120.500 0.246 0.000 2.352 342 R HA 0.389 4.729 4.340 -0.000 0.000 0.304 342 R C -0.036 176.430 176.300 0.277 0.000 1.104 342 R CA -0.275 55.947 56.100 0.203 0.000 0.991 342 R CB 0.523 30.949 30.300 0.209 0.000 1.140 342 R HN 0.613 nan 8.270 nan 0.000 0.540 343 L N 1.649 122.967 121.223 0.158 0.000 2.189 343 L HA 0.101 4.441 4.340 -0.000 0.000 0.199 343 L C 1.295 178.232 176.870 0.112 0.000 1.074 343 L CA 1.030 55.930 54.840 0.101 0.000 0.783 343 L CB -0.448 41.615 42.059 0.006 0.000 0.955 343 L HN 0.810 nan 8.230 nan 0.000 0.460 355 T N 1.369 115.947 114.554 0.040 0.000 2.635 355 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 355 T C 1.509 176.256 174.700 0.079 0.000 1.040 355 T CA 2.300 64.431 62.100 0.052 0.000 1.156 355 T CB -0.182 68.711 68.868 0.042 0.000 0.863 355 T HN 0.234 nan 8.240 nan 0.000 0.430 356 E N 1.312 121.566 120.200 0.091 0.000 2.070 356 E HA -0.090 4.260 4.350 -0.000 0.000 0.197 356 E C 2.379 179.035 176.600 0.094 0.000 1.004 356 E CA 1.450 57.934 56.400 0.140 0.000 0.805 356 E CB -0.839 28.938 29.700 0.127 0.000 0.744 356 E HN 0.538 nan 8.360 nan 0.000 0.451 357 A N 0.386 123.237 122.820 0.052 0.000 1.898 357 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 357 A C 2.552 180.139 177.584 0.004 0.000 1.181 357 A CA 1.512 53.560 52.037 0.018 0.000 0.620 357 A CB -0.696 18.312 19.000 0.014 0.000 0.819 357 A HN 0.147 nan 8.150 nan 0.000 0.442 358 V N -0.656 119.275 119.914 0.027 0.000 2.261 358 V HA -0.330 3.790 4.120 -0.000 0.000 0.246 358 V C 2.673 178.782 176.094 0.025 0.000 1.047 358 V CA 2.181 64.498 62.300 0.029 0.000 1.015 358 V CB -1.129 30.723 31.823 0.047 0.000 0.642 358 V HN 0.710 nan 8.190 nan 0.000 0.446 359 C N -0.653 118.681 119.300 0.058 0.000 2.440 359 C HA -0.097 4.363 4.460 -0.000 0.000 0.278 359 C C 2.878 177.838 174.990 -0.050 0.000 1.295 359 C CA 0.904 59.974 59.018 0.087 0.000 1.738 359 C CB -1.175 26.681 27.740 0.193 0.000 1.987 359 C HN 0.509 nan 8.230 nan 0.000 0.492 360 R N 0.894 121.259 120.500 -0.225 0.000 2.105 360 R HA -0.110 4.230 4.340 -0.000 0.000 0.239 360 R C 2.288 178.386 176.300 -0.337 0.000 1.135 360 R CA 1.805 57.502 56.100 -0.672 0.000 0.967 360 R CB -0.602 29.356 30.300 -0.570 0.000 0.861 360 R HN 0.605 nan 8.270 nan 0.000 0.442 361 G N -0.239 108.460 108.800 -0.169 0.000 2.402 361 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 361 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 361 G C 1.484 176.345 174.900 -0.065 0.000 1.162 361 G CA 0.668 45.711 45.100 -0.095 0.000 0.777 361 G HN 0.454 nan 8.290 nan 0.000 0.539 362 A N 0.166 122.963 122.820 -0.038 0.000 1.908 362 A HA 0.054 4.373 4.320 -0.000 0.000 0.218 362 A C 2.599 180.180 177.584 -0.005 0.000 1.181 362 A CA 1.888 53.925 52.037 0.000 0.000 0.627 362 A CB -0.604 18.419 19.000 0.040 0.000 0.818 362 A HN 0.254 nan 8.150 nan 0.000 0.445 363 V N 0.078 119.975 119.914 -0.028 0.000 2.307 363 V HA -0.238 3.881 4.120 -0.000 0.000 0.245 363 V C 2.536 178.615 176.094 -0.024 0.000 1.045 363 V CA 2.135 64.432 62.300 -0.006 0.000 1.024 363 V CB -0.689 31.148 31.823 0.024 0.000 0.651 363 V HN 0.797 nan 8.190 nan 0.000 0.449 364 E N -0.195 119.961 120.200 -0.073 0.000 2.209 364 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 364 E C 2.103 178.687 176.600 -0.027 0.000 0.993 364 E CA 1.792 58.161 56.400 -0.051 0.000 0.819 364 E CB -0.020 29.634 29.700 -0.076 0.000 0.745 364 E HN 0.596 nan 8.360 nan 0.000 0.477 365 T N 0.165 114.704 114.554 -0.026 0.000 2.809 365 T HA 0.042 4.392 4.350 -0.000 0.000 0.260 365 T C 1.820 176.516 174.700 -0.007 0.000 1.039 365 T CA 1.005 63.094 62.100 -0.018 0.000 1.141 365 T CB -0.189 68.666 68.868 -0.022 0.000 0.869 365 T HN 0.336 nan 8.240 nan 0.000 0.437 366 A N 1.973 124.794 122.820 0.002 0.000 1.917 366 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 366 A C 2.183 179.776 177.584 0.015 0.000 1.182 366 A CA 1.750 53.795 52.037 0.013 0.000 0.633 366 A CB -0.476 18.541 19.000 0.028 0.000 0.819 366 A HN 0.587 nan 8.150 nan 0.000 0.448 367 E N -0.242 119.967 120.200 0.015 0.000 2.046 367 E HA -0.151 4.198 4.350 -0.000 0.000 0.190 367 E C 2.040 178.647 176.600 0.011 0.000 0.982 367 E CA 1.080 57.491 56.400 0.018 0.000 0.800 367 E CB -0.265 29.450 29.700 0.024 0.000 0.756 367 E HN 0.602 nan 8.360 nan 0.000 0.449 368 K N 0.855 121.256 120.400 0.003 0.000 2.044 368 K HA -0.128 4.192 4.320 -0.000 0.000 0.210 368 K C 1.999 178.599 176.600 -0.000 0.000 1.049 368 K CA 1.161 57.447 56.287 -0.001 0.000 0.927 368 K CB -0.172 32.324 32.500 -0.007 0.000 0.713 368 K HN 0.118 nan 8.250 nan 0.000 0.443 369 L N 0.395 121.617 121.223 -0.001 0.000 2.612 369 L HA 0.044 4.384 4.340 -0.000 0.000 0.230 369 L C -0.526 176.347 176.870 0.005 0.000 1.140 369 L CA 0.040 54.879 54.840 -0.002 0.000 0.896 369 L CB -0.378 41.676 42.059 -0.008 0.000 1.065 369 L HN 0.246 nan 8.230 nan 0.000 0.447 370 D N 0.330 120.736 120.400 0.010 0.000 2.746 370 D HA -0.158 4.482 4.640 -0.000 0.000 0.236 370 D C 0.377 176.690 176.300 0.020 0.000 1.129 370 D CA 0.750 54.760 54.000 0.017 0.000 0.691 370 D CB -0.328 40.481 40.800 0.016 0.000 1.077 370 D HN 0.460 nan 8.370 nan 0.000 0.432 371 A N 0.796 123.628 122.820 0.020 0.000 2.328 371 A HA 0.512 4.832 4.320 -0.000 0.000 0.284 371 A C -0.904 176.697 177.584 0.029 0.000 1.160 371 A CA -0.968 51.082 52.037 0.022 0.000 0.818 371 A CB 0.725 19.737 19.000 0.019 0.000 1.087 371 A HN 0.068 nan 8.150 nan 0.000 0.504 372 P HA 0.114 nan 4.420 nan 0.000 0.245 372 P C -0.323 176.993 177.300 0.027 0.000 1.212 372 P CA 0.517 63.637 63.100 0.032 0.000 0.774 372 P CB -0.032 31.687 31.700 0.033 0.000 0.999 373 L N -0.696 120.542 121.223 0.025 0.000 2.549 373 L HA 0.472 4.812 4.340 -0.000 0.000 0.259 373 L C -1.660 175.232 176.870 0.035 0.000 0.934 373 L CA -0.983 53.873 54.840 0.026 0.000 0.865 373 L CB 2.060 44.124 42.059 0.008 0.000 1.352 373 L HN -0.321 nan 8.230 nan 0.000 0.410 374 I N 4.622 125.222 120.570 0.049 0.000 2.404 374 I HA 0.572 4.742 4.170 -0.000 0.000 0.293 374 I C -0.699 175.472 176.117 0.090 0.000 0.992 374 I CA -0.902 60.439 61.300 0.068 0.000 1.149 374 I CB 1.974 40.020 38.000 0.077 0.000 1.315 374 I HN 0.301 nan 8.210 nan 0.000 0.446 375 V N 7.158 127.145 119.914 0.123 0.000 2.435 375 V HA 0.479 4.599 4.120 -0.000 0.000 0.290 375 V C -0.139 176.143 176.094 0.313 0.000 1.030 375 V CA -0.619 61.792 62.300 0.184 0.000 0.881 375 V CB 1.937 33.838 31.823 0.131 0.000 0.983 375 V HN 0.390 nan 8.190 nan 0.000 0.445 376 V N 3.407 123.460 119.914 0.232 0.000 2.656 376 V HA 0.784 4.904 4.120 -0.000 0.000 0.307 376 V C 0.232 176.306 176.094 -0.033 0.000 1.051 376 V CA -0.645 61.742 62.300 0.146 0.000 0.893 376 V CB 2.091 33.958 31.823 0.073 0.000 0.999 376 V HN 1.002 nan 8.190 nan 0.000 0.426 377 A N 2.755 125.348 122.820 -0.378 0.000 2.310 377 A HA 0.850 5.170 4.320 -0.000 0.000 0.299 377 A C -0.029 177.396 177.584 -0.264 0.000 1.147 377 A CA -0.246 51.477 52.037 -0.524 0.000 0.818 377 A CB 1.259 19.629 19.000 -1.051 0.000 1.096 377 A HN 0.933 nan 8.150 nan 0.000 0.495 378 T N 0.405 114.852 114.554 -0.177 0.000 3.159 378 T HA 0.283 4.633 4.350 -0.000 0.000 0.343 378 T C 0.022 174.667 174.700 -0.092 0.000 1.364 378 T CA -0.428 61.605 62.100 -0.113 0.000 1.102 378 T CB 1.427 70.255 68.868 -0.067 0.000 1.263 378 T HN 0.570 nan 8.240 nan 0.000 0.477 379 Q N 2.667 122.420 119.800 -0.078 0.000 2.084 379 Q HA 0.232 4.571 4.340 -0.000 0.000 0.194 379 Q C 1.957 177.927 176.000 -0.050 0.000 0.969 379 Q CA 1.933 57.696 55.803 -0.066 0.000 0.829 379 Q CB -0.291 28.412 28.738 -0.059 0.000 0.904 379 Q HN 0.887 nan 8.270 nan 0.000 0.464 380 G N -1.490 107.293 108.800 -0.030 0.000 2.887 380 G HA2 0.266 4.226 3.960 -0.000 0.000 0.211 380 G HA3 0.266 4.226 3.960 -0.000 0.000 0.211 380 G C 0.873 175.789 174.900 0.026 0.000 1.152 380 G CA 0.635 45.735 45.100 -0.001 0.000 0.769 380 G HN 0.537 nan 8.290 nan 0.000 0.541 381 G N 0.251 109.054 108.800 0.005 0.000 2.195 381 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.224 381 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.224 381 G C 1.127 176.041 174.900 0.024 0.000 0.990 381 G CA 0.869 45.983 45.100 0.023 0.000 0.639 381 G HN 0.526 nan 8.290 nan 0.000 0.514 382 K N 1.252 121.660 120.400 0.015 0.000 2.063 382 K HA -0.106 4.213 4.320 -0.000 0.000 0.208 382 K C 2.869 179.472 176.600 0.005 0.000 1.048 382 K CA 2.320 58.611 56.287 0.008 0.000 0.928 382 K CB -0.256 32.244 32.500 0.000 0.000 0.713 382 K HN 0.652 nan 8.250 nan 0.000 0.442 383 S N 0.060 115.760 115.700 0.000 0.000 2.402 383 S HA -0.054 4.416 4.470 -0.000 0.000 0.229 383 S C 2.151 176.762 174.600 0.019 0.000 1.021 383 S CA 0.801 59.007 58.200 0.010 0.000 0.974 383 S CB -0.185 63.013 63.200 -0.003 0.000 0.800 383 S HN 0.372 nan 8.310 nan 0.000 0.484 384 A N 2.517 125.344 122.820 0.012 0.000 1.933 384 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 384 A C 2.414 180.001 177.584 0.004 0.000 1.175 384 A CA 1.191 53.238 52.037 0.017 0.000 0.628 384 A CB -0.526 18.485 19.000 0.018 0.000 0.814 384 A HN 0.569 nan 8.150 nan 0.000 0.444 385 R N -0.719 119.779 120.500 -0.003 0.000 2.119 385 R HA 0.044 4.384 4.340 -0.000 0.000 0.222 385 R C 2.421 178.684 176.300 -0.063 0.000 1.088 385 R CA 0.973 57.053 56.100 -0.034 0.000 0.984 385 R CB -0.378 29.910 30.300 -0.020 0.000 0.884 385 R HN 0.502 nan 8.270 nan 0.000 0.447 386 A N 0.845 123.652 122.820 -0.021 0.000 1.930 386 A HA -0.078 4.241 4.320 -0.000 0.000 0.217 386 A C 2.296 179.914 177.584 0.057 0.000 1.175 386 A CA 1.129 53.166 52.037 0.001 0.000 0.627 386 A CB -0.321 18.706 19.000 0.046 0.000 0.815 386 A HN 0.087 nan 8.150 nan 0.000 0.443 387 V N 0.493 120.457 119.914 0.083 0.000 2.453 387 V HA -0.154 3.966 4.120 -0.000 0.000 0.247 387 V C 2.671 178.808 176.094 0.073 0.000 1.048 387 V CA 1.836 64.230 62.300 0.157 0.000 1.049 387 V CB -0.769 31.120 31.823 0.110 0.000 0.672 387 V HN 0.663 nan 8.190 nan 0.000 0.457 388 R N 1.407 121.875 120.500 -0.053 0.000 2.148 388 R HA -0.160 4.180 4.340 -0.000 0.000 0.227 388 R C 2.161 178.250 176.300 -0.352 0.000 1.103 388 R CA 1.669 57.669 56.100 -0.166 0.000 0.983 388 R CB -0.414 29.789 30.300 -0.161 0.000 0.874 388 R HN 0.528 nan 8.270 nan 0.000 0.451 389 K N 0.006 120.177 120.400 -0.383 0.000 2.228 389 K HA -0.192 4.128 4.320 -0.000 0.000 0.205 389 K C 0.523 176.731 176.600 -0.653 0.000 1.045 389 K CA 1.684 57.618 56.287 -0.587 0.000 0.931 389 K CB -0.129 31.877 32.500 -0.823 0.000 0.727 389 K HN 0.289 nan 8.250 nan 0.000 0.458 390 Y N -0.923 119.375 120.300 -0.003 0.000 2.524 390 Y HA 0.231 4.780 4.550 -0.000 0.000 0.266 390 Y C -0.551 175.524 175.900 0.292 0.000 1.180 390 Y CA -0.613 57.580 58.100 0.155 0.000 1.244 390 Y CB -0.112 38.409 38.460 0.101 0.000 1.125 390 Y HN -0.082 nan 8.280 nan 0.000 0.524 391 F N -0.025 119.976 119.950 0.086 0.000 2.943 391 F HA -0.223 4.304 4.527 -0.000 0.000 0.258 391 F C -2.055 173.799 175.800 0.089 0.000 0.995 391 F CA -1.024 57.018 58.000 0.071 0.000 0.896 391 F CB -1.594 37.438 39.000 0.054 0.000 0.821 391 F HN 0.046 nan 8.300 nan 0.000 0.828 392 P HA -0.051 nan 4.420 nan 0.000 0.266 392 P C 0.593 177.970 177.300 0.128 0.000 1.193 392 P CA 0.254 63.444 63.100 0.151 0.000 0.770 392 P CB 0.837 32.603 31.700 0.110 0.000 0.836 393 D N 0.396 120.858 120.400 0.103 0.000 2.194 393 D HA -0.004 4.636 4.640 -0.000 0.000 0.204 393 D C 1.085 177.425 176.300 0.067 0.000 0.964 393 D CA 0.772 54.821 54.000 0.081 0.000 0.846 393 D CB -0.304 40.535 40.800 0.065 0.000 0.962 393 D HN 0.433 nan 8.370 nan 0.000 0.490 394 A N 0.660 123.518 122.820 0.063 0.000 2.386 394 A HA 0.298 4.618 4.320 -0.000 0.000 0.248 394 A C 0.603 178.218 177.584 0.052 0.000 1.082 394 A CA -0.007 52.061 52.037 0.053 0.000 0.789 394 A CB 0.313 19.342 19.000 0.049 0.000 1.025 394 A HN -0.017 nan 8.150 nan 0.000 0.490 395 T N 1.410 115.990 114.554 0.043 0.000 2.910 395 T HA 0.411 4.761 4.350 -0.000 0.000 0.293 395 T C 0.166 174.890 174.700 0.041 0.000 1.015 395 T CA 0.275 62.399 62.100 0.039 0.000 1.094 395 T CB 0.097 68.985 68.868 0.033 0.000 0.968 395 T HN 0.370 nan 8.240 nan 0.000 0.521 396 I N 3.839 124.432 120.570 0.040 0.000 2.304 396 I HA 0.257 4.427 4.170 -0.000 0.000 0.291 396 I C -0.432 175.713 176.117 0.046 0.000 1.018 396 I CA -0.735 60.593 61.300 0.046 0.000 1.260 396 I CB 1.050 39.074 38.000 0.040 0.000 1.390 396 I HN 0.270 nan 8.210 nan 0.000 0.475 397 L N 7.950 129.206 121.223 0.054 0.000 2.255 397 L HA 0.624 4.964 4.340 -0.000 0.000 0.289 397 L C -0.002 176.911 176.870 0.071 0.000 1.046 397 L CA -0.176 54.696 54.840 0.054 0.000 0.816 397 L CB 0.768 42.855 42.059 0.047 0.000 1.197 397 L HN 0.636 nan 8.230 nan 0.000 0.427 398 A N 6.945 129.796 122.820 0.052 0.000 2.258 398 A HA 0.693 5.013 4.320 -0.000 0.000 0.316 398 A C -0.786 176.815 177.584 0.029 0.000 1.279 398 A CA -0.589 51.474 52.037 0.043 0.000 0.876 398 A CB 0.282 19.295 19.000 0.022 0.000 1.170 398 A HN 0.740 nan 8.150 nan 0.000 0.520 399 L N 1.796 123.037 121.223 0.031 0.000 2.343 399 L HA 0.838 5.178 4.340 -0.000 0.000 0.275 399 L C 0.461 177.306 176.870 -0.043 0.000 1.056 399 L CA -0.425 54.424 54.840 0.015 0.000 0.804 399 L CB 1.876 43.979 42.059 0.074 0.000 1.203 399 L HN 0.748 nan 8.230 nan 0.000 0.440 400 T N -1.253 113.275 114.554 -0.044 0.000 2.830 400 T HA 0.283 4.633 4.350 -0.000 0.000 0.322 400 T C 0.176 174.836 174.700 -0.067 0.000 1.501 400 T CA 0.086 62.145 62.100 -0.069 0.000 1.036 400 T CB 1.639 70.463 68.868 -0.073 0.000 1.379 400 T HN 0.765 nan 8.240 nan 0.000 0.493 401 T N 0.072 114.582 114.554 -0.074 0.000 3.044 401 T HA 0.309 4.659 4.350 -0.000 0.000 0.260 401 T C 0.390 175.040 174.700 -0.083 0.000 1.019 401 T CA -0.226 61.833 62.100 -0.069 0.000 0.921 401 T CB -0.226 68.607 68.868 -0.059 0.000 1.053 401 T HN 0.454 nan 8.240 nan 0.000 0.533 402 N N 1.819 120.460 118.700 -0.099 0.000 2.426 402 N HA 0.218 4.958 4.740 -0.000 0.000 0.257 402 N C 0.827 176.232 175.510 -0.175 0.000 1.002 402 N CA -0.409 52.569 53.050 -0.119 0.000 0.942 402 N CB 1.291 39.715 38.487 -0.105 0.000 1.112 402 N HN 0.251 nan 8.380 nan 0.000 0.499 403 E N 2.417 122.492 120.200 -0.208 0.000 2.106 403 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 403 E C 0.923 177.191 176.600 -0.554 0.000 0.984 403 E CA 0.928 57.113 56.400 -0.359 0.000 0.806 403 E CB 0.182 29.710 29.700 -0.286 0.000 0.750 403 E HN 0.555 nan 8.360 nan 0.000 0.458 404 K N 0.638 120.841 120.400 -0.329 0.000 2.097 404 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 404 K C 2.135 178.562 176.600 -0.288 0.000 1.049 404 K CA 1.496 57.613 56.287 -0.283 0.000 0.933 404 K CB -0.063 32.313 32.500 -0.208 0.000 0.717 404 K HN -0.029 nan 8.250 nan 0.000 0.442 405 T N 0.256 114.670 114.554 -0.234 0.000 2.708 405 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 405 T C 1.794 176.407 174.700 -0.145 0.000 1.037 405 T CA 1.368 63.366 62.100 -0.170 0.000 1.146 405 T CB -0.402 68.396 68.868 -0.116 0.000 0.865 405 T HN 0.390 nan 8.240 nan 0.000 0.435 406 A N 1.181 123.889 122.820 -0.186 0.000 1.883 406 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 406 A C 1.900 179.455 177.584 -0.049 0.000 1.186 406 A CA 1.967 53.927 52.037 -0.128 0.000 0.624 406 A CB -1.007 17.883 19.000 -0.184 0.000 0.822 406 A HN 0.729 nan 8.150 nan 0.000 0.444 407 H N -0.922 118.106 119.070 -0.069 0.000 2.293 407 H HA -0.140 4.415 4.556 -0.000 0.000 0.300 407 H C 2.421 177.723 175.328 -0.043 0.000 1.082 407 H CA 1.506 57.518 56.048 -0.060 0.000 1.308 407 H CB -0.108 29.594 29.762 -0.101 0.000 1.375 407 H HN 0.581 nan 8.280 nan 0.000 0.495 408 Q N 0.579 120.358 119.800 -0.035 0.000 2.170 408 Q HA -0.118 4.222 4.340 -0.000 0.000 0.203 408 Q C 2.241 178.359 176.000 0.197 0.000 0.976 408 Q CA 0.898 56.674 55.803 -0.044 0.000 0.858 408 Q CB -0.012 28.449 28.738 -0.461 0.000 0.907 408 Q HN 0.481 nan 8.270 nan 0.000 0.433 409 L N 0.100 121.380 121.223 0.095 0.000 2.353 409 L HA -0.155 4.185 4.340 -0.000 0.000 0.220 409 L C 2.035 178.973 176.870 0.114 0.000 1.133 409 L CA 0.266 55.167 54.840 0.101 0.000 0.798 409 L CB -0.217 41.871 42.059 0.049 0.000 0.922 409 L HN 0.141 nan 8.230 nan 0.000 0.445 410 V N -0.069 119.928 119.914 0.138 0.000 2.392 410 V HA -0.295 3.825 4.120 -0.000 0.000 0.249 410 V C 2.249 178.410 176.094 0.111 0.000 1.059 410 V CA 1.564 63.935 62.300 0.119 0.000 1.051 410 V CB -0.295 31.605 31.823 0.128 0.000 0.658 410 V HN 0.369 nan 8.190 nan 0.000 0.455 411 L N -0.291 121.026 121.223 0.156 0.000 2.465 411 L HA 0.085 4.425 4.340 -0.000 0.000 0.224 411 L C 1.304 178.200 176.870 0.044 0.000 1.145 411 L CA 0.925 55.810 54.840 0.075 0.000 0.834 411 L CB -0.272 41.784 42.059 -0.005 0.000 0.944 411 L HN 0.204 nan 8.230 nan 0.000 0.451 412 S N 0.184 115.922 115.700 0.064 0.000 2.562 412 S HA 0.148 4.617 4.470 -0.000 0.000 0.275 412 S C -0.005 174.596 174.600 0.001 0.000 1.281 412 S CA -0.518 57.696 58.200 0.023 0.000 1.045 412 S CB 0.942 64.161 63.200 0.032 0.000 0.962 412 S HN 0.179 nan 8.310 nan 0.000 0.503 413 K N 1.650 122.030 120.400 -0.033 0.000 2.472 413 K HA 0.139 4.459 4.320 -0.000 0.000 0.280 413 K C 1.186 177.769 176.600 -0.027 0.000 1.028 413 K CA 0.820 57.086 56.287 -0.035 0.000 1.045 413 K CB -0.303 32.150 32.500 -0.078 0.000 0.902 413 K HN 0.898 nan 8.250 nan 0.000 0.478 414 G N 2.533 111.336 108.800 0.005 0.000 2.337 414 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.290 414 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.290 414 G C -0.059 174.851 174.900 0.017 0.000 1.003 414 G CA 0.456 45.566 45.100 0.016 0.000 0.825 414 G HN 0.436 nan 8.290 nan 0.000 0.509 415 V N -0.237 119.687 119.914 0.018 0.000 2.481 415 V HA 0.531 4.651 4.120 -0.000 0.000 0.286 415 V C 0.515 176.629 176.094 0.033 0.000 1.042 415 V CA -0.739 61.576 62.300 0.026 0.000 0.928 415 V CB 2.046 33.884 31.823 0.026 0.000 0.986 415 V HN 0.143 nan 8.190 nan 0.000 0.462 416 V N 7.500 127.434 119.914 0.034 0.000 2.293 416 V HA 0.355 4.475 4.120 -0.000 0.000 0.275 416 V C -2.125 173.989 176.094 0.034 0.000 1.021 416 V CA -1.498 60.823 62.300 0.035 0.000 0.815 416 V CB 1.662 33.504 31.823 0.031 0.000 1.025 416 V HN 0.761 nan 8.190 nan 0.000 0.448 417 P HA 0.371 nan 4.420 nan 0.000 0.282 417 P C -1.193 176.120 177.300 0.022 0.000 1.249 417 P CA -0.536 62.579 63.100 0.026 0.000 0.806 417 P CB 1.738 33.456 31.700 0.029 0.000 0.984 418 Q N 2.030 121.837 119.800 0.013 0.000 2.268 418 Q HA 0.467 4.807 4.340 -0.000 0.000 0.266 418 Q C -1.971 174.025 176.000 -0.006 0.000 1.006 418 Q CA -0.848 54.961 55.803 0.010 0.000 0.824 418 Q CB 1.674 30.423 28.738 0.019 0.000 1.306 418 Q HN 0.299 nan 8.270 nan 0.000 0.424 419 L N 5.155 126.369 121.223 -0.015 0.000 2.290 419 L HA 0.684 5.023 4.340 -0.000 0.000 0.284 419 L C -0.991 175.869 176.870 -0.018 0.000 1.078 419 L CA -0.204 54.617 54.840 -0.033 0.000 0.815 419 L CB 1.428 43.458 42.059 -0.048 0.000 1.162 419 L HN 0.565 nan 8.230 nan 0.000 0.435 420 V N 2.479 122.380 119.914 -0.022 0.000 3.001 420 V HA 0.590 4.710 4.120 -0.000 0.000 0.314 420 V C 0.566 176.649 176.094 -0.018 0.000 1.099 420 V CA -0.229 62.064 62.300 -0.011 0.000 0.989 420 V CB 1.794 33.620 31.823 0.004 0.000 1.040 420 V HN 0.876 nan 8.190 nan 0.000 0.434 421 K N 1.435 121.827 120.400 -0.013 0.000 2.186 421 K HA 0.286 4.606 4.320 -0.000 0.000 0.202 421 K C 0.226 176.815 176.600 -0.019 0.000 1.052 421 K CA 1.035 57.312 56.287 -0.017 0.000 0.965 421 K CB 0.061 32.553 32.500 -0.013 0.000 0.746 421 K HN 0.957 nan 8.250 nan 0.000 0.457 422 E N 0.137 120.329 120.200 -0.014 0.000 2.388 422 E HA 0.407 4.757 4.350 -0.000 0.000 0.281 422 E C -1.332 175.262 176.600 -0.009 0.000 1.046 422 E CA -0.857 55.532 56.400 -0.017 0.000 0.825 422 E CB 1.173 30.863 29.700 -0.016 0.000 1.243 422 E HN 0.078 nan 8.360 nan 0.000 0.438 423 I N 2.529 123.088 120.570 -0.019 0.000 2.563 423 I HA 0.143 4.313 4.170 -0.000 0.000 0.276 423 I C 1.084 177.186 176.117 -0.025 0.000 1.074 423 I CA -0.485 60.808 61.300 -0.013 0.000 1.124 423 I CB 1.658 39.637 38.000 -0.035 0.000 1.225 423 I HN 0.903 nan 8.210 nan 0.000 0.482 424 T N 0.746 115.292 114.554 -0.014 0.000 2.867 424 T HA 0.007 4.357 4.350 -0.000 0.000 0.268 424 T C 0.758 175.444 174.700 -0.024 0.000 1.057 424 T CA 1.142 63.231 62.100 -0.018 0.000 1.136 424 T CB 0.088 68.949 68.868 -0.012 0.000 0.874 424 T HN 0.602 nan 8.240 nan 0.000 0.466 425 S N -1.941 113.744 115.700 -0.026 0.000 2.636 425 S HA 0.387 4.856 4.470 -0.000 0.000 0.266 425 S C 0.635 175.196 174.600 -0.065 0.000 1.147 425 S CA -0.106 58.070 58.200 -0.039 0.000 0.815 425 S CB 0.967 64.149 63.200 -0.029 0.000 1.119 425 S HN -0.013 nan 8.310 nan 0.000 0.470 426 T N 1.494 115.989 114.554 -0.098 0.000 2.684 426 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 426 T C 0.951 175.413 174.700 -0.396 0.000 1.036 426 T CA 2.046 64.011 62.100 -0.225 0.000 1.148 426 T CB -0.742 68.024 68.868 -0.171 0.000 0.863 426 T HN 0.673 nan 8.240 nan 0.000 0.436 427 D N 0.704 120.992 120.400 -0.187 0.000 2.178 427 D HA -0.074 4.565 4.640 -0.000 0.000 0.202 427 D C 1.901 178.151 176.300 -0.083 0.000 0.974 427 D CA 0.846 54.791 54.000 -0.092 0.000 0.841 427 D CB -0.417 40.403 40.800 0.034 0.000 0.953 427 D HN 0.367 nan 8.370 nan 0.000 0.478 428 D N -0.008 120.355 120.400 -0.063 0.000 2.117 428 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 428 D C 1.809 178.104 176.300 -0.008 0.000 0.987 428 D CA 0.575 54.562 54.000 -0.023 0.000 0.829 428 D CB -0.202 40.594 40.800 -0.007 0.000 0.961 428 D HN 0.066 nan 8.370 nan 0.000 0.460 429 F N 0.277 120.112 119.950 -0.192 0.000 2.134 429 F HA -0.202 4.325 4.527 -0.000 0.000 0.299 429 F C 1.567 177.321 175.800 -0.077 0.000 1.097 429 F CA 1.280 59.181 58.000 -0.165 0.000 1.264 429 F CB -0.930 37.923 39.000 -0.245 0.000 1.001 429 F HN 0.017 nan 8.300 nan 0.000 0.479 430 Y N 0.840 120.858 120.300 -0.470 0.000 2.274 430 Y HA -0.116 4.434 4.550 -0.000 0.000 0.290 430 Y C 2.824 178.437 175.900 -0.479 0.000 1.145 430 Y CA 1.416 59.102 58.100 -0.691 0.000 1.203 430 Y CB -1.271 36.882 38.460 -0.512 0.000 0.984 430 Y HN 0.143 nan 8.280 nan 0.000 0.533 431 R N 0.585 121.015 120.500 -0.117 0.000 2.062 431 R HA -0.130 4.210 4.340 -0.000 0.000 0.229 431 R C 2.174 178.422 176.300 -0.087 0.000 1.128 431 R CA 1.289 57.338 56.100 -0.085 0.000 0.960 431 R CB -0.787 29.493 30.300 -0.033 0.000 0.855 431 R HN 0.388 nan 8.270 nan 0.000 0.432 432 L N 1.112 122.298 121.223 -0.061 0.000 1.994 432 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 432 L C 2.351 179.194 176.870 -0.044 0.000 1.071 432 L CA 2.546 57.373 54.840 -0.022 0.000 0.745 432 L CB -1.228 40.858 42.059 0.043 0.000 0.892 432 L HN 0.312 nan 8.230 nan 0.000 0.431 433 G N -0.883 107.857 108.800 -0.099 0.000 2.450 433 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.220 433 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.220 433 G C 1.649 176.460 174.900 -0.148 0.000 1.130 433 G CA 1.035 46.061 45.100 -0.123 0.000 0.760 433 G HN 0.471 nan 8.290 nan 0.000 0.557 434 K N 0.142 120.431 120.400 -0.186 0.000 2.062 434 K HA 0.022 4.342 4.320 -0.000 0.000 0.205 434 K C 2.382 178.931 176.600 -0.084 0.000 1.051 434 K CA 1.018 57.217 56.287 -0.148 0.000 0.941 434 K CB -0.127 32.270 32.500 -0.172 0.000 0.719 434 K HN 0.330 nan 8.250 nan 0.000 0.440 435 E N 1.091 121.253 120.200 -0.064 0.000 2.049 435 E HA -0.209 4.141 4.350 -0.000 0.000 0.198 435 E C 2.015 178.595 176.600 -0.032 0.000 1.007 435 E CA 1.287 57.664 56.400 -0.038 0.000 0.809 435 E CB -0.141 29.545 29.700 -0.024 0.000 0.749 435 E HN 0.200 nan 8.360 nan 0.000 0.450 436 L N 0.297 121.504 121.223 -0.026 0.000 2.131 436 L HA -0.181 4.158 4.340 -0.000 0.000 0.210 436 L C 2.540 179.393 176.870 -0.029 0.000 1.092 436 L CA 0.766 55.596 54.840 -0.016 0.000 0.759 436 L CB -0.471 41.591 42.059 0.005 0.000 0.903 436 L HN 0.176 nan 8.230 nan 0.000 0.435 437 A N 0.295 123.089 122.820 -0.044 0.000 1.883 437 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 437 A C 2.259 179.791 177.584 -0.086 0.000 1.186 437 A CA 1.513 53.516 52.037 -0.058 0.000 0.624 437 A CB -0.646 18.315 19.000 -0.065 0.000 0.822 437 A HN 0.346 nan 8.150 nan 0.000 0.444 438 L N -1.020 120.156 121.223 -0.078 0.000 2.027 438 L HA -0.239 4.100 4.340 -0.000 0.000 0.206 438 L C 2.902 179.732 176.870 -0.065 0.000 1.074 438 L CA 1.585 56.373 54.840 -0.086 0.000 0.745 438 L CB -0.635 41.394 42.059 -0.049 0.000 0.898 438 L HN 0.477 nan 8.230 nan 0.000 0.433 439 Q N -0.530 119.247 119.800 -0.038 0.000 2.248 439 Q HA -0.225 4.114 4.340 -0.000 0.000 0.208 439 Q C 2.250 178.236 176.000 -0.023 0.000 0.984 439 Q CA 1.836 57.627 55.803 -0.020 0.000 0.875 439 Q CB -0.222 28.510 28.738 -0.009 0.000 0.910 439 Q HN 0.546 nan 8.270 nan 0.000 0.433 440 S N -0.786 114.891 115.700 -0.038 0.000 2.561 440 S HA 0.044 4.514 4.470 -0.000 0.000 0.225 440 S C 1.547 176.122 174.600 -0.042 0.000 0.977 440 S CA 0.577 58.758 58.200 -0.031 0.000 0.926 440 S CB -0.091 63.092 63.200 -0.027 0.000 0.769 440 S HN 0.544 nan 8.310 nan 0.000 0.533 441 G N 1.077 109.829 108.800 -0.080 0.000 2.200 441 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.267 441 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.267 441 G C 0.560 175.379 174.900 -0.136 0.000 0.993 441 G CA 0.836 45.883 45.100 -0.088 0.000 0.701 441 G HN 0.596 nan 8.290 nan 0.000 0.524 442 L N -0.838 120.298 121.223 -0.145 0.000 2.446 442 L HA 0.538 4.878 4.340 -0.000 0.000 0.219 442 L C 1.507 178.280 176.870 -0.160 0.000 1.116 442 L CA 0.929 55.712 54.840 -0.095 0.000 0.844 442 L CB -0.111 41.922 42.059 -0.044 0.000 0.970 442 L HN 0.570 nan 8.230 nan 0.000 0.457 443 A N -1.648 120.965 122.820 -0.344 0.000 2.593 443 A HA 0.725 5.045 4.320 -0.000 0.000 0.290 443 A C -1.454 175.702 177.584 -0.714 0.000 1.126 443 A CA -0.515 51.322 52.037 -0.333 0.000 0.695 443 A CB 1.075 19.991 19.000 -0.139 0.000 1.290 443 A HN 0.171 nan 8.150 nan 0.000 0.414 444 H N 0.245 119.319 119.070 0.006 0.000 2.908 444 H HA 0.468 5.024 4.556 -0.000 0.000 0.350 444 H C -0.546 174.783 175.328 0.002 0.000 1.217 444 H CA -0.909 55.141 56.048 0.004 0.000 1.168 444 H CB 0.870 30.635 29.762 0.005 0.000 1.891 444 H HN 0.537 nan 8.280 nan 0.000 0.566 445 K N 0.831 121.314 120.400 0.138 0.000 2.524 445 K HA 0.142 4.462 4.320 -0.000 0.000 0.279 445 K C 0.794 177.434 176.600 0.067 0.000 0.993 445 K CA 1.206 57.535 56.287 0.070 0.000 1.030 445 K CB 0.304 32.836 32.500 0.053 0.000 0.891 445 K HN 1.013 nan 8.250 nan 0.000 0.488 446 G N 2.446 111.271 108.800 0.042 0.000 2.176 446 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.253 446 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.253 446 G C -0.199 174.722 174.900 0.035 0.000 0.979 446 G CA -0.049 45.071 45.100 0.034 0.000 0.641 446 G HN 0.637 nan 8.290 nan 0.000 0.530 447 D N 0.216 120.640 120.400 0.040 0.000 2.264 447 D HA 0.515 5.155 4.640 -0.000 0.000 0.249 447 D C 0.732 177.043 176.300 0.018 0.000 1.070 447 D CA -0.277 53.742 54.000 0.033 0.000 0.912 447 D CB 1.993 42.816 40.800 0.039 0.000 1.193 447 D HN 0.093 nan 8.370 nan 0.000 0.427 448 V N 1.600 121.523 119.914 0.015 0.000 2.732 448 V HA 0.265 4.385 4.120 -0.000 0.000 0.297 448 V C 0.424 176.525 176.094 0.012 0.000 1.060 448 V CA -0.342 61.964 62.300 0.010 0.000 1.038 448 V CB 1.783 33.608 31.823 0.003 0.000 1.003 448 V HN 0.227 nan 8.190 nan 0.000 0.481 449 V N 4.480 124.404 119.914 0.016 0.000 2.789 449 V HA 0.489 4.609 4.120 -0.000 0.000 0.311 449 V C -0.634 175.475 176.094 0.026 0.000 1.073 449 V CA -0.477 61.831 62.300 0.013 0.000 0.921 449 V CB 2.583 34.401 31.823 -0.009 0.000 1.009 449 V HN 0.596 nan 8.190 nan 0.000 0.426 450 V N 6.363 126.297 119.914 0.033 0.000 2.370 450 V HA 0.507 4.627 4.120 -0.000 0.000 0.283 450 V C -0.045 176.096 176.094 0.079 0.000 1.023 450 V CA -0.382 61.944 62.300 0.043 0.000 0.857 450 V CB 1.527 33.373 31.823 0.038 0.000 0.985 450 V HN 0.772 nan 8.190 nan 0.000 0.443 451 M N 5.405 125.066 119.600 0.101 0.000 2.167 451 M HA 0.575 5.054 4.480 -0.000 0.000 0.333 451 M C -1.043 175.489 176.300 0.388 0.000 1.030 451 M CA -0.574 54.851 55.300 0.208 0.000 0.963 451 M CB 1.903 34.503 32.600 -0.001 0.000 1.589 451 M HN 0.341 nan 8.290 nan 0.000 0.431 452 V N 2.595 122.766 119.914 0.429 0.000 2.628 452 V HA 0.805 4.925 4.120 -0.000 0.000 0.306 452 V C -0.123 176.113 176.094 0.237 0.000 1.045 452 V CA -0.216 62.270 62.300 0.311 0.000 0.905 452 V CB 2.150 34.076 31.823 0.172 0.000 0.997 452 V HN 1.104 nan 8.190 nan 0.000 0.436 453 S N 2.295 118.085 115.700 0.151 0.000 2.724 453 S HA 0.759 5.229 4.470 -0.000 0.000 0.278 453 S C -0.419 174.175 174.600 -0.010 0.000 1.190 453 S CA -0.293 57.871 58.200 -0.060 0.000 0.860 453 S CB 1.392 64.492 63.200 -0.168 0.000 1.206 453 S HN 1.176 nan 8.310 nan 0.000 0.507 454 G N -0.355 108.405 108.800 -0.066 0.000 2.372 454 G HA2 0.739 4.698 3.960 -0.000 0.000 0.323 454 G HA3 0.739 4.698 3.960 -0.000 0.000 0.323 454 G C -0.649 174.233 174.900 -0.030 0.000 1.152 454 G CA -0.469 44.612 45.100 -0.032 0.000 0.906 454 G HN 1.238 nan 8.290 nan 0.000 0.460 455 A N 2.557 125.376 122.820 -0.001 0.000 2.343 455 A HA 0.657 4.976 4.320 -0.000 0.000 0.308 455 A C 0.558 178.141 177.584 -0.002 0.000 1.092 455 A CA -0.687 51.349 52.037 -0.002 0.000 0.751 455 A CB 0.520 19.536 19.000 0.026 0.000 1.203 455 A HN 1.477 nan 8.150 nan 0.000 0.452 456 L N 1.006 122.223 121.223 -0.010 0.000 3.854 456 L HA -0.212 4.128 4.340 -0.000 0.000 0.460 456 L C -0.088 176.778 176.870 -0.007 0.000 1.228 456 L CA 0.468 55.303 54.840 -0.008 0.000 0.760 456 L CB -2.356 39.703 42.059 -0.001 0.000 1.597 456 L HN 0.884 nan 8.230 nan 0.000 0.852 457 V N -2.683 117.223 119.914 -0.013 0.000 2.932 457 V HA 0.813 4.932 4.120 -0.000 0.000 0.307 457 V C -1.877 174.205 176.094 -0.019 0.000 1.147 457 V CA -1.539 60.754 62.300 -0.012 0.000 0.951 457 V CB 1.724 33.543 31.823 -0.007 0.000 1.031 457 V HN 0.132 nan 8.190 nan 0.000 0.426 458 P HA 0.254 nan 4.420 nan 0.000 0.270 458 P C 0.145 177.431 177.300 -0.025 0.000 1.223 458 P CA 0.108 63.196 63.100 -0.022 0.000 0.785 458 P CB 0.597 32.286 31.700 -0.017 0.000 0.923 459 S N -0.437 115.246 115.700 -0.029 0.000 2.558 459 S HA 0.337 4.807 4.470 -0.000 0.000 0.287 459 S C 1.377 175.963 174.600 -0.022 0.000 1.321 459 S CA 0.341 58.522 58.200 -0.032 0.000 1.048 459 S CB -0.222 62.957 63.200 -0.034 0.000 0.844 459 S HN 1.060 nan 8.310 nan 0.000 0.512 460 G N 1.066 109.854 108.800 -0.021 0.000 2.179 460 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.220 460 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.220 460 G C -0.023 174.872 174.900 -0.008 0.000 0.990 460 G CA -0.095 44.997 45.100 -0.013 0.000 0.646 460 G HN 1.097 nan 8.290 nan 0.000 0.517 461 T N 0.692 115.241 114.554 -0.010 0.000 2.861 461 T HA 0.628 4.978 4.350 -0.000 0.000 0.287 461 T C -0.519 174.181 174.700 0.000 0.000 1.003 461 T CA -0.237 61.863 62.100 -0.001 0.000 0.977 461 T CB 2.244 71.112 68.868 -0.000 0.000 0.996 461 T HN 0.191 nan 8.240 nan 0.000 0.448 462 T N 3.610 118.171 114.554 0.013 0.000 2.788 462 T HA 0.385 4.734 4.350 -0.000 0.000 0.296 462 T C 0.685 175.405 174.700 0.033 0.000 1.009 462 T CA -0.861 61.252 62.100 0.021 0.000 0.949 462 T CB 0.285 69.171 68.868 0.031 0.000 0.946 462 T HN 0.751 nan 8.240 nan 0.000 0.453 463 N N 0.782 119.504 118.700 0.037 0.000 2.184 463 N HA 0.092 4.831 4.740 -0.000 0.000 0.234 463 N C -0.625 174.922 175.510 0.063 0.000 1.282 463 N CA -0.473 52.602 53.050 0.043 0.000 0.877 463 N CB 0.881 39.387 38.487 0.031 0.000 1.184 463 N HN 0.357 nan 8.380 nan 0.000 0.510 464 T N 0.390 114.997 114.554 0.089 0.000 2.991 464 T HA 0.762 5.112 4.350 -0.000 0.000 0.303 464 T C -1.312 173.494 174.700 0.176 0.000 1.015 464 T CA -0.565 61.614 62.100 0.132 0.000 1.007 464 T CB 1.861 70.824 68.868 0.159 0.000 1.034 464 T HN 0.349 nan 8.240 nan 0.000 0.446 465 A N 2.029 124.935 122.820 0.144 0.000 2.386 465 A HA 0.943 5.263 4.320 -0.000 0.000 0.311 465 A C -0.413 177.211 177.584 0.067 0.000 1.068 465 A CA -0.865 51.245 52.037 0.121 0.000 0.743 465 A CB 1.789 20.828 19.000 0.065 0.000 1.258 465 A HN 0.773 nan 8.150 nan 0.000 0.429 466 S N 1.131 116.835 115.700 0.006 0.000 2.566 466 S HA 0.553 5.023 4.470 -0.000 0.000 0.273 466 S C -1.229 173.244 174.600 -0.212 0.000 1.157 466 S CA -0.408 57.675 58.200 -0.194 0.000 0.938 466 S CB 1.147 64.072 63.200 -0.457 0.000 1.087 466 S HN 1.012 nan 8.310 nan 0.000 0.474 467 V N 6.356 126.092 119.914 -0.296 0.000 2.567 467 V HA 0.610 4.730 4.120 -0.000 0.000 0.289 467 V C -0.152 175.717 176.094 -0.374 0.000 1.049 467 V CA -0.241 61.937 62.300 -0.204 0.000 0.969 467 V CB 1.205 32.942 31.823 -0.143 0.000 0.995 467 V HN 0.918 nan 8.190 nan 0.000 0.471 468 H N 1.828 120.807 119.070 -0.153 0.000 2.980 468 H HA 0.523 5.079 4.556 -0.000 0.000 0.367 468 H C -1.366 173.911 175.328 -0.086 0.000 1.206 468 H CA -0.720 55.247 56.048 -0.135 0.000 1.126 468 H CB 2.375 32.035 29.762 -0.170 0.000 1.838 468 H HN 0.380 nan 8.280 nan 0.000 0.552 469 V N 3.181 123.142 119.914 0.079 0.000 2.427 469 V HA 0.176 4.296 4.120 -0.000 0.000 0.286 469 V C 0.827 176.938 176.094 0.028 0.000 1.034 469 V CA -0.595 61.725 62.300 0.033 0.000 0.893 469 V CB 1.370 33.201 31.823 0.013 0.000 0.982 469 V HN 0.436 nan 8.190 nan 0.000 0.452 470 L N 0.000 121.231 121.223 0.013 0.000 2.949 470 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 470 L CA 0.000 54.839 54.840 -0.002 0.000 0.813 470 L CB 0.000 42.052 42.059 -0.012 0.000 0.961 470 L HN 0.000 nan 8.230 nan 0.000 0.502