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 2z00_1_A DATA FIRST_RESID 2 DATA SEQUENCE ILIRNVRLVD ARGERGPADV LIGEGRILSL EGGEAKQVVD GTGCFLAPGF DATA SEQUENCE LDLHAHLREP GEEVKEDLFS GLLAAVRGGY TDLVSXPNTK PPVDTPEAVR DATA SEQUENCE ALKEKAKALG LARLHPAAAL TEKQEGKTLT PAGLLREAGA VLLTDDGRTN DATA SEQUENCE EDAGVLAAGL LXAAPLGLPV AVHAEDAGLR RNGVXNDGPL ADLLGLPGNP DATA SEQUENCE PEAEAARIAR DLEVLRYALR RSPATPRLHV QHLSTKRGLE LVREAKRAGL DATA SEQUENCE PVTAEATPHH LTLTEEALRT FDPLFKVAPP LRGEEDREAL LEGLLDGTLD DATA SEQUENCE AIATDHAPHT LAEKEKDLLR APFGIPSLEV AFPLLYTELH LKRGFPLQRL DATA SEQUENCE VELFTDGPRR VLGLPPLHLE EGAEASLVLL SPKERPVDPS AFASKARYSP DATA SEQUENCE WAGWVLGGWP VLTLVAGRIV HEALK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.104 176.117 -0.021 0.000 1.063 2 I CA 0.000 61.286 61.300 -0.024 0.000 1.566 2 I CB 0.000 37.981 38.000 -0.031 0.000 1.214 3 L N 7.771 128.982 121.223 -0.020 0.000 2.325 3 L HA 0.633 4.973 4.340 -0.000 0.000 0.281 3 L C -1.352 175.506 176.870 -0.020 0.000 1.004 3 L CA -0.269 54.561 54.840 -0.017 0.000 0.823 3 L CB 1.195 43.247 42.059 -0.013 0.000 1.236 3 L HN 0.294 nan 8.230 nan 0.000 0.415 4 I N 5.505 126.064 120.570 -0.019 0.000 2.328 4 I HA 0.417 4.587 4.170 -0.000 0.000 0.287 4 I C 0.212 176.322 176.117 -0.010 0.000 1.012 4 I CA -0.349 60.939 61.300 -0.021 0.000 1.195 4 I CB 1.096 39.078 38.000 -0.029 0.000 1.350 4 I HN 0.653 nan 8.210 nan 0.000 0.464 5 R N 3.824 124.320 120.500 -0.007 0.000 2.536 5 R HA 0.266 4.606 4.340 -0.000 0.000 0.279 5 R C 0.518 176.823 176.300 0.007 0.000 1.001 5 R CA -0.714 55.386 56.100 0.000 0.000 1.027 5 R CB 0.471 30.771 30.300 -0.000 0.000 1.096 5 R HN 0.553 nan 8.270 nan 0.000 0.502 6 N N 0.154 118.862 118.700 0.013 0.000 2.714 6 N HA -0.179 4.561 4.740 -0.000 0.000 0.252 6 N C -1.431 174.097 175.510 0.030 0.000 1.014 6 N CA 0.548 53.611 53.050 0.021 0.000 0.735 6 N CB -0.389 38.110 38.487 0.020 0.000 0.924 6 N HN 0.289 nan 8.380 nan 0.000 0.540 7 V N 0.560 120.493 119.914 0.031 0.000 2.715 7 V HA 0.558 4.678 4.120 -0.000 0.000 0.310 7 V C 0.492 176.626 176.094 0.066 0.000 1.054 7 V CA -0.834 61.494 62.300 0.046 0.000 0.928 7 V CB 1.566 33.404 31.823 0.025 0.000 1.007 7 V HN 0.276 nan 8.190 nan 0.000 0.437 8 R N 4.527 125.092 120.500 0.109 0.000 2.582 8 R HA 0.562 4.902 4.340 -0.000 0.000 0.271 8 R C -1.038 175.343 176.300 0.134 0.000 1.078 8 R CA -0.369 55.803 56.100 0.119 0.000 1.127 8 R CB 0.808 31.197 30.300 0.149 0.000 1.038 8 R HN 0.603 nan 8.270 nan 0.000 0.500 9 L N 2.359 123.640 121.223 0.097 0.000 2.322 9 L HA 0.546 4.886 4.340 -0.000 0.000 0.281 9 L C -0.869 176.057 176.870 0.093 0.000 1.014 9 L CA -0.944 53.951 54.840 0.092 0.000 0.815 9 L CB 1.932 44.023 42.059 0.054 0.000 1.247 9 L HN 0.282 nan 8.230 nan 0.000 0.421 10 V N 1.773 121.765 119.914 0.130 0.000 2.532 10 V HA 0.394 4.514 4.120 -0.000 0.000 0.294 10 V C -1.072 175.098 176.094 0.127 0.000 1.036 10 V CA -0.610 61.753 62.300 0.106 0.000 0.876 10 V CB 1.792 33.665 31.823 0.084 0.000 1.012 10 V HN 0.910 nan 8.190 nan 0.000 0.432 11 D N 3.679 124.136 120.400 0.095 0.000 2.732 11 D HA 0.674 5.314 4.640 -0.000 0.000 0.292 11 D C 1.130 177.490 176.300 0.100 0.000 1.135 11 D CA -0.045 54.035 54.000 0.133 0.000 1.071 11 D CB 1.650 42.553 40.800 0.172 0.000 1.457 11 D HN 0.436 nan 8.370 nan 0.000 0.547 12 A N -0.380 122.524 122.820 0.141 0.000 2.032 12 A HA -0.227 4.093 4.320 -0.000 0.000 0.221 12 A C 1.926 179.522 177.584 0.021 0.000 1.165 12 A CA 1.498 53.599 52.037 0.106 0.000 0.645 12 A CB -0.772 18.330 19.000 0.170 0.000 0.807 12 A HN 0.529 nan 8.150 nan 0.000 0.453 13 R N -1.277 119.184 120.500 -0.065 0.000 2.193 13 R HA 0.286 4.626 4.340 -0.000 0.000 0.213 13 R C 1.002 177.271 176.300 -0.051 0.000 1.055 13 R CA 0.514 56.555 56.100 -0.098 0.000 0.995 13 R CB -0.117 30.061 30.300 -0.204 0.000 0.893 13 R HN 0.621 nan 8.270 nan 0.000 0.459 14 G N 0.348 109.132 108.800 -0.027 0.000 2.369 14 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.307 14 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.307 14 G C -1.784 173.109 174.900 -0.010 0.000 1.327 14 G CA -1.047 44.042 45.100 -0.018 0.000 0.963 14 G HN 0.091 nan 8.290 nan 0.000 0.590 15 E N 0.143 120.335 120.200 -0.014 0.000 2.175 15 E HA 0.692 5.042 4.350 -0.000 0.000 0.278 15 E C 0.105 176.705 176.600 0.000 0.000 0.969 15 E CA -0.489 55.906 56.400 -0.010 0.000 0.796 15 E CB 1.833 31.516 29.700 -0.028 0.000 1.104 15 E HN 0.512 nan 8.360 nan 0.000 0.395 16 R N 0.831 121.339 120.500 0.013 0.000 2.922 16 R HA 0.761 5.101 4.340 -0.000 0.000 0.256 16 R C -0.027 176.288 176.300 0.026 0.000 1.138 16 R CA -0.280 55.829 56.100 0.014 0.000 0.995 16 R CB 1.540 31.846 30.300 0.011 0.000 1.226 16 R HN 0.721 nan 8.270 nan 0.000 0.481 17 G N 0.451 109.264 108.800 0.023 0.000 2.681 17 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.220 17 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.220 17 G C -2.279 172.638 174.900 0.030 0.000 1.353 17 G CA -1.055 44.062 45.100 0.028 0.000 0.872 17 G HN 0.493 nan 8.290 nan 0.000 0.557 18 P HA 0.467 nan 4.420 nan 0.000 0.266 18 P C 0.157 177.473 177.300 0.028 0.000 1.186 18 P CA 1.175 64.297 63.100 0.037 0.000 0.767 18 P CB 0.757 32.478 31.700 0.036 0.000 0.820 19 A N 1.508 124.344 122.820 0.027 0.000 2.609 19 A HA 0.535 4.855 4.320 -0.000 0.000 0.291 19 A C -1.589 176.004 177.584 0.015 0.000 1.096 19 A CA -0.666 51.383 52.037 0.019 0.000 0.684 19 A CB 1.217 20.229 19.000 0.019 0.000 1.282 19 A HN 0.407 nan 8.150 nan 0.000 0.412 20 D N 1.174 121.580 120.400 0.010 0.000 2.329 20 D HA 0.475 5.115 4.640 -0.000 0.000 0.232 20 D C -0.709 175.593 176.300 0.003 0.000 1.088 20 D CA 0.108 54.111 54.000 0.005 0.000 0.835 20 D CB 1.657 42.459 40.800 0.003 0.000 1.078 20 D HN 0.193 nan 8.370 nan 0.000 0.495 21 V N 3.264 123.178 119.914 -0.001 0.000 2.370 21 V HA 0.255 4.375 4.120 -0.000 0.000 0.279 21 V C -0.076 176.014 176.094 -0.008 0.000 1.029 21 V CA -0.871 61.428 62.300 -0.003 0.000 0.870 21 V CB 1.536 33.356 31.823 -0.005 0.000 0.984 21 V HN 0.321 nan 8.190 nan 0.000 0.451 22 L N 7.365 128.584 121.223 -0.006 0.000 2.272 22 L HA 0.638 4.978 4.340 -0.000 0.000 0.289 22 L C -0.513 176.351 176.870 -0.010 0.000 1.032 22 L CA 0.300 55.135 54.840 -0.008 0.000 0.810 22 L CB 0.879 42.935 42.059 -0.006 0.000 1.205 22 L HN 0.528 nan 8.230 nan 0.000 0.422 23 I N 4.830 125.391 120.570 -0.014 0.000 2.433 23 I HA 0.825 4.995 4.170 -0.000 0.000 0.292 23 I C 0.344 176.453 176.117 -0.015 0.000 1.001 23 I CA -0.429 60.861 61.300 -0.016 0.000 1.119 23 I CB 1.846 39.832 38.000 -0.023 0.000 1.289 23 I HN 0.751 nan 8.210 nan 0.000 0.438 24 G N 2.646 111.439 108.800 -0.012 0.000 2.579 24 G HA2 0.392 4.352 3.960 -0.000 0.000 0.292 24 G HA3 0.392 4.352 3.960 -0.000 0.000 0.292 24 G C -0.598 174.297 174.900 -0.009 0.000 1.484 24 G CA -0.549 44.544 45.100 -0.011 0.000 0.813 24 G HN 0.644 nan 8.290 nan 0.000 0.515 25 E N -1.121 119.074 120.200 -0.009 0.000 2.722 25 E HA -0.267 4.083 4.350 -0.000 0.000 0.265 25 E C 1.409 178.004 176.600 -0.008 0.000 1.081 25 E CA 1.361 57.757 56.400 -0.007 0.000 0.781 25 E CB -1.270 28.427 29.700 -0.005 0.000 1.372 25 E HN 2.437 nan 8.360 nan 0.000 0.423 26 G N -0.030 108.764 108.800 -0.010 0.000 2.155 26 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.257 26 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.257 26 G C 0.201 175.095 174.900 -0.010 0.000 0.983 26 G CA 0.993 46.087 45.100 -0.011 0.000 0.676 26 G HN 0.328 nan 8.290 nan 0.000 0.528 27 R N -1.217 119.278 120.500 -0.009 0.000 2.869 27 R HA 0.618 4.958 4.340 -0.000 0.000 0.263 27 R C -0.390 175.906 176.300 -0.007 0.000 1.066 27 R CA -1.268 54.828 56.100 -0.006 0.000 0.960 27 R CB 0.960 31.258 30.300 -0.003 0.000 1.221 27 R HN 0.028 nan 8.270 nan 0.000 0.474 28 I N 3.356 123.924 120.570 -0.003 0.000 2.294 28 I HA 0.041 4.211 4.170 -0.000 0.000 0.295 28 I C 1.375 177.492 176.117 0.001 0.000 1.098 28 I CA 0.339 61.638 61.300 -0.002 0.000 1.277 28 I CB 0.388 38.391 38.000 0.004 0.000 1.434 28 I HN 0.611 nan 8.210 nan 0.000 0.498 29 L N 3.867 125.089 121.223 -0.002 0.000 2.095 29 L HA -0.016 4.324 4.340 -0.000 0.000 0.204 29 L C 1.053 177.924 176.870 0.001 0.000 1.080 29 L CA 1.022 55.862 54.840 -0.001 0.000 0.759 29 L CB -0.167 41.890 42.059 -0.003 0.000 0.914 29 L HN 0.632 nan 8.230 nan 0.000 0.439 30 S N -1.694 114.006 115.700 0.001 0.000 2.537 30 S HA 0.461 4.931 4.470 -0.000 0.000 0.270 30 S C -0.319 174.283 174.600 0.003 0.000 1.142 30 S CA -0.702 57.499 58.200 0.002 0.000 0.870 30 S CB 1.476 64.677 63.200 0.001 0.000 1.112 30 S HN 0.092 nan 8.310 nan 0.000 0.466 31 L N 2.538 123.764 121.223 0.005 0.000 2.808 31 L HA 0.456 4.796 4.340 -0.000 0.000 0.246 31 L C 0.631 177.504 176.870 0.006 0.000 1.153 31 L CA 0.176 55.020 54.840 0.007 0.000 0.956 31 L CB 0.236 42.301 42.059 0.009 0.000 1.270 31 L HN 0.683 nan 8.230 nan 0.000 0.528 32 E N 0.482 120.685 120.200 0.005 0.000 2.685 32 E HA 0.360 4.710 4.350 -0.000 0.000 0.208 32 E C 0.671 177.273 176.600 0.003 0.000 0.996 32 E CA 0.065 56.468 56.400 0.004 0.000 1.054 32 E CB 0.914 30.616 29.700 0.004 0.000 1.075 32 E HN 0.336 nan 8.360 nan 0.000 0.460 33 G N 0.139 108.940 108.800 0.002 0.000 2.725 33 G HA2 0.074 4.034 3.960 -0.000 0.000 0.220 33 G HA3 0.074 4.034 3.960 -0.000 0.000 0.220 33 G C 0.141 175.041 174.900 -0.001 0.000 1.357 33 G CA -0.670 44.430 45.100 0.001 0.000 0.866 33 G HN 0.662 nan 8.290 nan 0.000 0.548 34 G N -1.721 107.078 108.800 -0.002 0.000 2.345 34 G HA2 0.579 4.539 3.960 -0.000 0.000 0.285 34 G HA3 0.579 4.539 3.960 -0.000 0.000 0.285 34 G C -1.347 173.551 174.900 -0.004 0.000 1.297 34 G CA 0.213 45.312 45.100 -0.002 0.000 0.875 34 G HN 1.008 nan 8.290 nan 0.000 0.506 35 E N -0.382 119.816 120.200 -0.004 0.000 2.171 35 E HA 0.660 5.010 4.350 -0.000 0.000 0.271 35 E C -0.233 176.364 176.600 -0.006 0.000 0.916 35 E CA -0.514 55.883 56.400 -0.005 0.000 0.774 35 E CB 2.086 31.783 29.700 -0.004 0.000 1.128 35 E HN 1.028 nan 8.360 nan 0.000 0.403 36 A N 2.315 125.130 122.820 -0.008 0.000 2.589 36 A HA 0.312 4.632 4.320 -0.000 0.000 0.296 36 A C -0.035 177.543 177.584 -0.010 0.000 1.062 36 A CA -0.705 51.326 52.037 -0.009 0.000 0.686 36 A CB 1.352 20.345 19.000 -0.012 0.000 1.282 36 A HN 0.599 nan 8.150 nan 0.000 0.404 37 K N 0.078 120.472 120.400 -0.011 0.000 2.228 37 K HA -0.018 4.302 4.320 -0.000 0.000 0.202 37 K C 0.771 177.363 176.600 -0.013 0.000 1.051 37 K CA 0.952 57.233 56.287 -0.011 0.000 0.960 37 K CB 0.228 32.722 32.500 -0.010 0.000 0.743 37 K HN 0.682 nan 8.250 nan 0.000 0.458 38 Q N 1.680 121.470 119.800 -0.016 0.000 2.398 38 Q HA 0.228 4.568 4.340 -0.000 0.000 0.251 38 Q C -1.575 174.413 176.000 -0.020 0.000 0.999 38 Q CA -0.395 55.396 55.803 -0.020 0.000 0.874 38 Q CB 1.134 29.858 28.738 -0.023 0.000 1.215 38 Q HN -0.140 nan 8.270 nan 0.000 0.470 39 V N 4.659 124.562 119.914 -0.020 0.000 2.448 39 V HA 0.419 4.539 4.120 -0.000 0.000 0.295 39 V C -0.438 175.642 176.094 -0.022 0.000 1.025 39 V CA -0.789 61.499 62.300 -0.019 0.000 0.859 39 V CB 1.809 33.624 31.823 -0.014 0.000 0.988 39 V HN 0.558 nan 8.190 nan 0.000 0.431 40 V N 3.303 123.202 119.914 -0.025 0.000 2.398 40 V HA 0.340 4.460 4.120 -0.000 0.000 0.286 40 V C -0.244 175.836 176.094 -0.023 0.000 1.026 40 V CA -0.532 61.751 62.300 -0.030 0.000 0.868 40 V CB 1.909 33.707 31.823 -0.042 0.000 0.982 40 V HN 0.958 nan 8.190 nan 0.000 0.443 41 D N 4.040 124.428 120.400 -0.019 0.000 2.374 41 D HA 0.287 4.927 4.640 -0.000 0.000 0.240 41 D C 0.984 177.278 176.300 -0.011 0.000 1.229 41 D CA 0.043 54.037 54.000 -0.010 0.000 0.895 41 D CB 1.273 42.069 40.800 -0.006 0.000 1.046 41 D HN 0.639 nan 8.370 nan 0.000 0.498 42 G N 2.996 111.791 108.800 -0.007 0.000 3.448 42 G HA2 0.015 3.975 3.960 -0.000 0.000 0.261 42 G HA3 0.015 3.975 3.960 -0.000 0.000 0.261 42 G C 0.527 175.438 174.900 0.017 0.000 1.173 42 G CA -0.371 44.725 45.100 -0.006 0.000 0.835 42 G HN 0.450 nan 8.290 nan 0.000 0.534 43 T N 0.798 115.365 114.554 0.021 0.000 2.871 43 T HA 0.366 4.716 4.350 -0.000 0.000 0.296 43 T C 1.634 176.366 174.700 0.053 0.000 0.998 43 T CA 1.372 63.494 62.100 0.036 0.000 1.162 43 T CB 0.790 69.676 68.868 0.030 0.000 0.947 43 T HN 0.931 nan 8.240 nan 0.000 0.536 44 G N 1.899 110.745 108.800 0.076 0.000 2.234 44 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 44 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 44 G C 0.513 175.501 174.900 0.146 0.000 0.987 44 G CA 0.106 45.271 45.100 0.108 0.000 0.625 44 G HN 0.840 nan 8.290 nan 0.000 0.532 45 C N 0.296 119.661 119.300 0.107 0.000 2.325 45 C HA 0.911 5.371 4.460 -0.000 0.000 0.370 45 C C 0.124 175.218 174.990 0.174 0.000 1.217 45 C CA -0.301 58.765 59.018 0.080 0.000 2.254 45 C CB 0.435 28.151 27.740 -0.040 0.000 2.282 45 C HN 0.780 nan 8.230 nan 0.000 0.564 46 F N 0.007 119.957 119.950 -0.001 0.000 2.576 46 F HA 0.800 5.327 4.527 -0.000 0.000 0.313 46 F C -1.183 174.592 175.800 -0.042 0.000 1.078 46 F CA -1.355 56.644 58.000 -0.002 0.000 0.921 46 F CB 0.597 39.615 39.000 0.030 0.000 1.232 46 F HN 0.334 nan 8.300 nan 0.000 0.459 47 L N 3.129 124.400 121.223 0.081 0.000 2.309 47 L HA 0.922 5.262 4.340 -0.000 0.000 0.282 47 L C -0.559 176.340 176.870 0.048 0.000 1.036 47 L CA -0.508 54.308 54.840 -0.041 0.000 0.806 47 L CB 1.220 43.264 42.059 -0.025 0.000 1.220 47 L HN 1.075 nan 8.230 nan 0.000 0.429 48 A N 5.014 127.796 122.820 -0.063 0.000 2.527 48 A HA 0.923 5.243 4.320 -0.000 0.000 0.293 48 A C -2.870 174.664 177.584 -0.084 0.000 1.117 48 A CA -1.624 50.417 52.037 0.007 0.000 0.723 48 A CB 1.342 20.388 19.000 0.077 0.000 1.313 48 A HN 0.538 nan 8.150 nan 0.000 0.411 49 P HA 0.302 nan 4.420 nan 0.000 0.272 49 P C 0.466 177.692 177.300 -0.123 0.000 1.223 49 P CA 0.303 63.389 63.100 -0.023 0.000 0.784 49 P CB 0.581 32.317 31.700 0.060 0.000 0.923 50 G N 1.968 110.673 108.800 -0.157 0.000 2.414 50 G HA2 0.145 4.105 3.960 -0.000 0.000 0.236 50 G HA3 0.145 4.105 3.960 -0.000 0.000 0.236 50 G C -0.459 174.402 174.900 -0.065 0.000 1.293 50 G CA -0.213 44.737 45.100 -0.251 0.000 0.869 50 G HN 0.215 nan 8.290 nan 0.000 0.556 51 F N 0.042 119.910 119.950 -0.137 0.000 2.403 51 F HA 0.503 5.030 4.527 0.000 0.000 0.320 51 F C 0.614 176.503 175.800 0.150 0.000 1.176 51 F CA -1.222 56.729 58.000 -0.081 0.000 1.206 51 F CB 1.038 39.760 39.000 -0.463 0.000 1.235 51 F HN 0.264 nan 8.300 nan 0.000 0.565 52 L N 1.691 123.205 121.223 0.484 0.000 2.439 52 L HA 0.415 4.755 4.340 -0.000 0.000 0.270 52 L C -1.514 175.582 176.870 0.377 0.000 0.972 52 L CA -0.655 54.415 54.840 0.382 0.000 0.836 52 L CB 1.553 43.703 42.059 0.153 0.000 1.255 52 L HN 0.549 nan 8.230 nan 0.000 0.404 53 D N 3.551 124.110 120.400 0.265 0.000 2.232 53 D HA 0.247 4.887 4.640 -0.000 0.000 0.242 53 D C 0.500 176.793 176.300 -0.012 0.000 1.093 53 D CA -0.353 53.657 54.000 0.017 0.000 0.845 53 D CB 1.665 42.205 40.800 -0.433 0.000 1.124 53 D HN 0.437 nan 8.370 nan 0.000 0.467 54 L N 2.835 124.058 121.223 -0.000 0.000 2.558 54 L HA 0.181 4.521 4.340 -0.000 0.000 0.225 54 L C 0.175 177.060 176.870 0.024 0.000 1.128 54 L CA 0.706 55.532 54.840 -0.023 0.000 0.868 54 L CB -0.838 41.195 42.059 -0.045 0.000 1.006 54 L HN 0.610 nan 8.230 nan 0.000 0.454 55 H N -0.363 118.661 119.070 -0.077 0.000 2.852 55 H HA 0.607 5.163 4.556 -0.000 0.000 0.274 55 H C -1.083 174.182 175.328 -0.106 0.000 1.321 55 H CA -0.299 55.698 56.048 -0.086 0.000 1.582 55 H CB 0.599 30.356 29.762 -0.009 0.000 1.699 55 H HN 0.032 nan 8.280 nan 0.000 0.546 56 A N 3.992 126.827 122.820 0.026 0.000 2.356 56 A HA 0.361 4.681 4.320 -0.000 0.000 0.310 56 A C -1.167 176.371 177.584 -0.077 0.000 1.075 56 A CA -0.736 51.300 52.037 -0.001 0.000 0.746 56 A CB 0.960 19.901 19.000 -0.098 0.000 1.221 56 A HN 0.744 nan 8.150 nan 0.000 0.443 57 H N 3.980 123.161 119.070 0.185 0.000 2.690 57 H HA 0.247 4.803 4.556 -0.000 0.000 0.289 57 H C 0.132 175.528 175.328 0.115 0.000 1.089 57 H CA -0.062 56.062 56.048 0.127 0.000 1.299 57 H CB 1.098 30.918 29.762 0.097 0.000 1.405 57 H HN 0.572 nan 8.280 nan 0.000 0.463 58 L N 2.840 124.140 121.223 0.128 0.000 2.629 58 L HA 0.045 4.385 4.340 -0.000 0.000 0.230 58 L C 0.617 177.532 176.870 0.076 0.000 1.151 58 L CA -0.137 54.752 54.840 0.082 0.000 0.924 58 L CB -0.035 42.029 42.059 0.009 0.000 1.137 58 L HN 0.427 nan 8.230 nan 0.000 0.457 59 R N 0.763 121.316 120.500 0.089 0.000 3.569 59 R HA -0.232 4.108 4.340 -0.000 0.000 0.260 59 R C 0.099 176.429 176.300 0.050 0.000 1.078 59 R CA 0.811 56.950 56.100 0.065 0.000 0.716 59 R CB -2.437 27.895 30.300 0.052 0.000 1.088 59 R HN 0.618 nan 8.270 nan 0.000 0.473 60 E N 0.189 120.411 120.200 0.037 0.000 2.292 60 E HA 0.463 4.813 4.350 -0.000 0.000 0.272 60 E C -2.535 174.071 176.600 0.011 0.000 0.881 60 E CA -2.147 54.266 56.400 0.020 0.000 0.754 60 E CB 2.704 32.403 29.700 -0.002 0.000 1.201 60 E HN -0.122 nan 8.360 nan 0.000 0.425 61 P HA 0.322 nan 4.420 nan 0.000 0.278 61 P C 0.510 177.828 177.300 0.030 0.000 1.258 61 P CA 0.735 63.846 63.100 0.019 0.000 0.811 61 P CB 1.543 33.250 31.700 0.012 0.000 1.063 62 G N 1.270 110.090 108.800 0.033 0.000 2.399 62 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 62 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 62 G C 0.220 175.146 174.900 0.043 0.000 1.096 62 G CA -0.074 45.048 45.100 0.036 0.000 0.650 62 G HN 0.584 nan 8.290 nan 0.000 0.512 63 E N 0.545 120.775 120.200 0.049 0.000 3.385 63 E HA 0.368 4.718 4.350 -0.000 0.000 0.206 63 E C 0.737 177.373 176.600 0.060 0.000 0.997 63 E CA -0.202 56.231 56.400 0.056 0.000 1.278 63 E CB 0.701 30.438 29.700 0.061 0.000 1.165 63 E HN 0.421 nan 8.360 nan 0.000 0.452 64 E N 0.386 120.623 120.200 0.061 0.000 2.219 64 E HA -0.191 4.159 4.350 -0.000 0.000 0.198 64 E C 1.858 178.503 176.600 0.075 0.000 0.998 64 E CA 0.720 57.163 56.400 0.072 0.000 0.818 64 E CB -0.024 29.725 29.700 0.081 0.000 0.741 64 E HN 0.168 nan 8.360 nan 0.000 0.477 65 V N 0.519 120.474 119.914 0.068 0.000 2.490 65 V HA -0.295 3.825 4.120 -0.000 0.000 0.250 65 V C 1.559 177.699 176.094 0.077 0.000 1.061 65 V CA 1.865 64.206 62.300 0.068 0.000 1.064 65 V CB -0.076 31.785 31.823 0.062 0.000 0.670 65 V HN 0.217 nan 8.190 nan 0.000 0.461 66 K N -0.587 119.858 120.400 0.075 0.000 2.137 66 K HA 0.113 4.433 4.320 -0.000 0.000 0.202 66 K C 0.797 177.434 176.600 0.062 0.000 1.052 66 K CA 0.930 57.260 56.287 0.071 0.000 0.961 66 K CB 0.245 32.774 32.500 0.047 0.000 0.741 66 K HN 0.549 nan 8.250 nan 0.000 0.452 67 E N -0.120 120.121 120.200 0.069 0.000 2.417 67 E HA 0.091 4.441 4.350 -0.000 0.000 0.280 67 E C -2.248 174.401 176.600 0.082 0.000 1.112 67 E CA -0.512 55.937 56.400 0.082 0.000 0.863 67 E CB 1.309 31.065 29.700 0.093 0.000 1.346 67 E HN 0.105 nan 8.360 nan 0.000 0.443 68 D N 0.094 120.546 120.400 0.086 0.000 2.692 68 D HA 0.196 4.836 4.640 -0.000 0.000 0.303 68 D C 0.040 176.353 176.300 0.021 0.000 1.278 68 D CA -0.663 53.376 54.000 0.066 0.000 0.852 68 D CB -0.130 40.744 40.800 0.124 0.000 1.375 68 D HN 0.327 nan 8.370 nan 0.000 0.453 69 L N -0.579 120.597 121.223 -0.078 0.000 2.131 69 L HA 0.050 4.390 4.340 -0.000 0.000 0.210 69 L C 1.972 178.764 176.870 -0.130 0.000 1.092 69 L CA 1.477 56.224 54.840 -0.156 0.000 0.759 69 L CB -0.832 41.064 42.059 -0.272 0.000 0.903 69 L HN 0.413 nan 8.230 nan 0.000 0.435 70 F N -0.419 119.530 119.950 -0.001 0.000 2.075 70 F HA -0.257 4.270 4.527 -0.000 0.000 0.297 70 F C 2.827 178.628 175.800 0.001 0.000 1.113 70 F CA 1.665 59.666 58.000 0.001 0.000 1.218 70 F CB -1.269 37.736 39.000 0.008 0.000 0.984 70 F HN 0.202 nan 8.300 nan 0.000 0.472 71 S N -0.577 115.251 115.700 0.214 0.000 2.395 71 S HA 0.014 4.484 4.470 -0.000 0.000 0.225 71 S C 2.374 177.003 174.600 0.048 0.000 1.027 71 S CA 0.798 59.070 58.200 0.120 0.000 0.965 71 S CB -1.301 61.967 63.200 0.112 0.000 0.812 71 S HN 0.328 nan 8.310 nan 0.000 0.482 72 G N 2.099 110.911 108.800 0.020 0.000 2.404 72 G HA2 0.004 3.964 3.960 -0.000 0.000 0.215 72 G HA3 0.004 3.964 3.960 -0.000 0.000 0.215 72 G C 1.445 176.288 174.900 -0.094 0.000 1.174 72 G CA 0.809 45.871 45.100 -0.063 0.000 0.780 72 G HN 0.498 nan 8.290 nan 0.000 0.537 73 L N -0.029 121.161 121.223 -0.055 0.000 2.291 73 L HA 0.170 4.510 4.340 -0.000 0.000 0.214 73 L C 2.648 179.507 176.870 -0.020 0.000 1.120 73 L CA 0.052 54.861 54.840 -0.050 0.000 0.799 73 L CB -0.212 41.816 42.059 -0.052 0.000 0.925 73 L HN 0.175 nan 8.230 nan 0.000 0.446 74 L N -0.162 121.064 121.223 0.005 0.000 2.044 74 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 74 L C 2.771 179.631 176.870 -0.018 0.000 1.075 74 L CA 1.320 56.172 54.840 0.019 0.000 0.747 74 L CB -0.288 41.804 42.059 0.055 0.000 0.903 74 L HN 0.244 nan 8.230 nan 0.000 0.435 75 A N -0.043 122.756 122.820 -0.035 0.000 1.940 75 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 75 A C 2.422 179.968 177.584 -0.065 0.000 1.176 75 A CA 1.773 53.770 52.037 -0.068 0.000 0.631 75 A CB -0.731 18.196 19.000 -0.122 0.000 0.814 75 A HN 0.561 nan 8.150 nan 0.000 0.446 76 A N 0.017 122.794 122.820 -0.071 0.000 1.865 76 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 76 A C 2.362 180.021 177.584 0.125 0.000 1.191 76 A CA 2.587 54.630 52.037 0.010 0.000 0.623 76 A CB -1.394 17.577 19.000 -0.049 0.000 0.826 76 A HN 1.185 nan 8.150 nan 0.000 0.444 77 V N -2.075 117.857 119.914 0.031 0.000 2.490 77 V HA -0.195 3.925 4.120 -0.000 0.000 0.250 77 V C 2.173 178.181 176.094 -0.143 0.000 1.061 77 V CA 2.110 64.408 62.300 -0.003 0.000 1.064 77 V CB -1.019 30.814 31.823 0.016 0.000 0.670 77 V HN 0.492 nan 8.190 nan 0.000 0.461 78 R N 1.198 121.537 120.500 -0.268 0.000 2.189 78 R HA 0.075 4.415 4.340 -0.000 0.000 0.223 78 R C 2.237 178.413 176.300 -0.207 0.000 1.092 78 R CA 1.132 56.868 56.100 -0.607 0.000 0.989 78 R CB -0.542 29.527 30.300 -0.385 0.000 0.876 78 R HN 0.650 nan 8.270 nan 0.000 0.457 79 G N -1.223 107.583 108.800 0.009 0.000 3.042 79 G HA2 0.190 4.150 3.960 -0.000 0.000 0.212 79 G HA3 0.190 4.150 3.960 -0.000 0.000 0.212 79 G C 0.820 175.760 174.900 0.067 0.000 1.166 79 G CA 0.393 45.590 45.100 0.162 0.000 0.767 79 G HN 0.424 nan 8.290 nan 0.000 0.546 80 G N -1.318 107.426 108.800 -0.095 0.000 2.176 80 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.232 80 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.232 80 G C 0.057 174.655 174.900 -0.504 0.000 0.986 80 G CA -0.092 44.732 45.100 -0.461 0.000 0.643 80 G HN 0.388 nan 8.290 nan 0.000 0.522 81 Y N 1.302 121.602 120.300 -0.000 0.000 2.316 81 Y HA 0.461 5.011 4.550 -0.000 0.000 0.331 81 Y C 1.861 177.754 175.900 -0.011 0.000 1.083 81 Y CA 0.506 58.647 58.100 0.068 0.000 1.206 81 Y CB 1.532 40.065 38.460 0.122 0.000 1.195 81 Y HN 0.182 nan 8.280 nan 0.000 0.497 82 T N -2.796 111.834 114.554 0.127 0.000 3.023 82 T HA 0.242 4.592 4.350 -0.000 0.000 0.253 82 T C -0.119 174.657 174.700 0.126 0.000 1.038 82 T CA -0.069 62.074 62.100 0.070 0.000 0.962 82 T CB 0.211 69.084 68.868 0.008 0.000 1.018 82 T HN 0.502 nan 8.240 nan 0.000 0.521 83 D N 0.647 121.171 120.400 0.207 0.000 2.857 83 D HA 0.547 5.187 4.640 -0.000 0.000 0.227 83 D C -1.575 174.866 176.300 0.236 0.000 1.192 83 D CA -0.499 53.658 54.000 0.262 0.000 0.857 83 D CB 3.023 44.001 40.800 0.296 0.000 1.645 83 D HN 0.185 nan 8.370 nan 0.000 0.482 84 L N 0.791 122.140 121.223 0.211 0.000 2.472 84 L HA 0.472 4.812 4.340 -0.000 0.000 0.260 84 L C -1.870 175.054 176.870 0.090 0.000 0.963 84 L CA -0.654 54.233 54.840 0.078 0.000 0.829 84 L CB 2.173 44.206 42.059 -0.043 0.000 1.348 84 L HN 0.138 nan 8.230 nan 0.000 0.408 85 V N 3.552 123.478 119.914 0.020 0.000 2.347 85 V HA 0.430 4.550 4.120 -0.000 0.000 0.280 85 V C 0.458 176.519 176.094 -0.055 0.000 1.021 85 V CA -0.210 62.089 62.300 -0.001 0.000 0.847 85 V CB 1.253 33.054 31.823 -0.037 0.000 0.990 85 V HN 0.906 nan 8.190 nan 0.000 0.444 89 N N 1.833 120.598 118.700 0.110 0.000 3.115 89 N HA 0.142 4.882 4.740 -0.000 0.000 0.305 89 N C 0.377 175.945 175.510 0.096 0.000 1.305 89 N CA -0.019 53.094 53.050 0.106 0.000 1.154 89 N CB 0.085 38.652 38.487 0.133 0.000 1.454 89 N HN 0.268 nan 8.380 nan 0.000 0.551 90 T N -1.864 112.733 114.554 0.072 0.000 2.867 90 T HA 0.293 4.643 4.350 -0.000 0.000 0.286 90 T C 0.100 174.827 174.700 0.045 0.000 1.022 90 T CA -0.773 61.363 62.100 0.060 0.000 0.933 90 T CB 1.053 69.949 68.868 0.046 0.000 1.280 90 T HN -0.013 nan 8.240 nan 0.000 0.566 91 K N 2.781 123.205 120.400 0.039 0.000 2.473 91 K HA 0.412 4.732 4.320 -0.000 0.000 0.246 91 K C -2.467 174.149 176.600 0.026 0.000 1.011 91 K CA -1.957 54.349 56.287 0.033 0.000 0.984 91 K CB 1.300 33.821 32.500 0.035 0.000 1.250 91 K HN 0.547 nan 8.250 nan 0.000 0.454 92 P HA 0.395 nan 4.420 nan 0.000 0.278 92 P C -2.698 174.615 177.300 0.022 0.000 1.266 92 P CA -1.956 61.156 63.100 0.021 0.000 0.807 92 P CB 0.275 31.985 31.700 0.016 0.000 1.094 93 P HA -0.018 nan 4.420 nan 0.000 0.267 93 P C -0.316 176.993 177.300 0.015 0.000 1.200 93 P CA 0.199 63.312 63.100 0.023 0.000 0.772 93 P CB 0.143 31.856 31.700 0.021 0.000 0.855 94 V N 3.482 123.403 119.914 0.013 0.000 2.341 94 V HA 0.050 4.170 4.120 -0.000 0.000 0.248 94 V C 0.628 176.723 176.094 0.001 0.000 1.107 94 V CA 0.824 63.126 62.300 0.004 0.000 1.069 94 V CB -0.629 31.193 31.823 -0.001 0.000 1.177 94 V HN 0.684 nan 8.190 nan 0.000 0.492 95 D N 1.459 121.860 120.400 0.002 0.000 2.556 95 D HA 0.112 4.752 4.640 -0.000 0.000 0.237 95 D C 0.450 176.750 176.300 -0.000 0.000 1.296 95 D CA 0.027 54.028 54.000 0.001 0.000 0.807 95 D CB 0.469 41.271 40.800 0.003 0.000 1.084 95 D HN 0.543 nan 8.370 nan 0.000 0.510 96 T N -3.954 110.599 114.554 -0.002 0.000 2.906 96 T HA 0.512 4.862 4.350 -0.000 0.000 0.295 96 T C -2.319 172.378 174.700 -0.005 0.000 1.061 96 T CA -1.945 60.154 62.100 -0.003 0.000 1.000 96 T CB 2.546 71.413 68.868 -0.001 0.000 1.103 96 T HN -0.423 nan 8.240 nan 0.000 0.486 97 P HA -0.146 nan 4.420 nan 0.000 0.215 97 P C 1.643 178.937 177.300 -0.009 0.000 1.153 97 P CA 1.121 64.216 63.100 -0.007 0.000 0.853 97 P CB 0.121 31.817 31.700 -0.006 0.000 0.788 98 E N 0.128 120.323 120.200 -0.008 0.000 2.110 98 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 98 E C 1.996 178.589 176.600 -0.011 0.000 0.988 98 E CA 1.722 58.116 56.400 -0.009 0.000 0.804 98 E CB -1.449 28.247 29.700 -0.006 0.000 0.745 98 E HN 0.192 nan 8.360 nan 0.000 0.458 99 A N 1.702 124.516 122.820 -0.009 0.000 1.930 99 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 99 A C 2.637 180.211 177.584 -0.017 0.000 1.175 99 A CA 1.385 53.416 52.037 -0.011 0.000 0.627 99 A CB -0.661 18.335 19.000 -0.006 0.000 0.815 99 A HN 0.145 nan 8.150 nan 0.000 0.443 100 V N 0.021 119.925 119.914 -0.017 0.000 2.358 100 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 100 V C 2.629 178.707 176.094 -0.028 0.000 1.047 100 V CA 2.153 64.440 62.300 -0.022 0.000 1.035 100 V CB -0.795 31.018 31.823 -0.018 0.000 0.658 100 V HN 0.512 nan 8.190 nan 0.000 0.452 101 R N 0.029 120.514 120.500 -0.024 0.000 2.081 101 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 101 R C 2.465 178.745 176.300 -0.033 0.000 1.131 101 R CA 1.429 57.512 56.100 -0.027 0.000 0.960 101 R CB -0.616 29.672 30.300 -0.021 0.000 0.856 101 R HN 0.537 nan 8.270 nan 0.000 0.436 102 A N 1.420 124.222 122.820 -0.030 0.000 1.883 102 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 102 A C 2.204 179.758 177.584 -0.051 0.000 1.186 102 A CA 1.260 53.277 52.037 -0.034 0.000 0.624 102 A CB -0.622 18.362 19.000 -0.026 0.000 0.822 102 A HN 0.182 nan 8.150 nan 0.000 0.444 103 L N -0.813 120.378 121.223 -0.052 0.000 2.017 103 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 103 L C 2.652 179.472 176.870 -0.082 0.000 1.073 103 L CA 1.879 56.677 54.840 -0.069 0.000 0.745 103 L CB -0.443 41.580 42.059 -0.059 0.000 0.894 103 L HN 0.371 nan 8.230 nan 0.000 0.432 104 K N -0.149 120.208 120.400 -0.071 0.000 2.097 104 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 104 K C 1.974 178.528 176.600 -0.077 0.000 1.049 104 K CA 1.373 57.612 56.287 -0.081 0.000 0.933 104 K CB -0.083 32.376 32.500 -0.069 0.000 0.717 104 K HN 0.411 nan 8.250 nan 0.000 0.442 105 E N 0.759 120.921 120.200 -0.063 0.000 2.072 105 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 105 E C 2.038 178.597 176.600 -0.068 0.000 0.985 105 E CA 1.007 57.374 56.400 -0.055 0.000 0.801 105 E CB 0.031 29.706 29.700 -0.041 0.000 0.750 105 E HN 0.206 nan 8.360 nan 0.000 0.452 106 K N 0.957 121.303 120.400 -0.089 0.000 2.057 106 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 106 K C 2.129 178.644 176.600 -0.143 0.000 1.050 106 K CA 1.107 57.317 56.287 -0.128 0.000 0.935 106 K CB -0.096 32.296 32.500 -0.179 0.000 0.715 106 K HN 0.065 nan 8.250 nan 0.000 0.439 107 A N 1.380 124.120 122.820 -0.134 0.000 2.070 107 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 107 A C 1.950 179.477 177.584 -0.095 0.000 1.159 107 A CA 1.744 53.706 52.037 -0.125 0.000 0.656 107 A CB -0.383 18.541 19.000 -0.126 0.000 0.800 107 A HN 0.433 nan 8.150 nan 0.000 0.453 108 K N -0.624 119.728 120.400 -0.081 0.000 2.262 108 K HA 0.217 4.537 4.320 -0.000 0.000 0.200 108 K C 1.960 178.535 176.600 -0.040 0.000 1.049 108 K CA 0.901 57.152 56.287 -0.060 0.000 0.979 108 K CB -0.232 32.234 32.500 -0.056 0.000 0.773 108 K HN 0.270 nan 8.250 nan 0.000 0.474 109 A N 1.124 123.919 122.820 -0.041 0.000 1.968 109 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 109 A C 1.908 179.492 177.584 0.000 0.000 1.169 109 A CA 0.773 52.800 52.037 -0.017 0.000 0.638 109 A CB -0.372 18.621 19.000 -0.012 0.000 0.812 109 A HN 0.311 nan 8.150 nan 0.000 0.446 110 L N -0.398 120.815 121.223 -0.018 0.000 2.217 110 L HA 0.122 4.462 4.340 -0.000 0.000 0.211 110 L C 1.785 178.665 176.870 0.016 0.000 1.107 110 L CA 1.426 56.275 54.840 0.015 0.000 0.783 110 L CB -1.358 40.678 42.059 -0.039 0.000 0.919 110 L HN 0.660 nan 8.230 nan 0.000 0.442 111 G N -0.384 108.411 108.800 -0.008 0.000 2.379 111 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.297 111 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.297 111 G C 0.371 175.272 174.900 0.001 0.000 1.004 111 G CA 1.022 46.117 45.100 -0.007 0.000 0.921 111 G HN 0.398 nan 8.290 nan 0.000 0.511 112 L N -0.805 120.417 121.223 -0.003 0.000 2.798 112 L HA 0.879 5.219 4.340 -0.000 0.000 0.230 112 L C 1.615 178.479 176.870 -0.011 0.000 1.868 112 L CA -0.721 54.122 54.840 0.005 0.000 2.126 112 L CB -0.234 41.837 42.059 0.019 0.000 2.569 112 L HN 0.288 nan 8.230 nan 0.000 0.592 113 A N 0.096 122.914 122.820 -0.002 0.000 2.609 113 A HA 0.028 4.348 4.320 -0.000 0.000 0.232 113 A C 0.017 177.582 177.584 -0.032 0.000 1.041 113 A CA 0.135 52.177 52.037 0.008 0.000 0.753 113 A CB -0.407 18.611 19.000 0.031 0.000 0.966 113 A HN 0.518 nan 8.150 nan 0.000 0.510 114 R N 0.146 120.623 120.500 -0.038 0.000 2.488 114 R HA 0.122 4.462 4.340 -0.000 0.000 0.317 114 R C -0.275 175.884 176.300 -0.235 0.000 0.941 114 R CA 0.118 56.132 56.100 -0.143 0.000 1.076 114 R CB -0.139 30.101 30.300 -0.100 0.000 0.917 114 R HN 0.534 nan 8.270 nan 0.000 0.407 115 L N 4.435 125.484 121.223 -0.291 0.000 2.276 115 L HA 0.235 4.575 4.340 -0.000 0.000 0.286 115 L C -0.759 175.866 176.870 -0.408 0.000 1.061 115 L CA -0.219 54.472 54.840 -0.248 0.000 0.807 115 L CB 0.702 42.667 42.059 -0.155 0.000 1.177 115 L HN 0.603 nan 8.230 nan 0.000 0.429 116 H N 5.382 124.426 119.070 -0.043 0.000 2.792 116 H HA 0.432 4.988 4.556 -0.000 0.000 0.298 116 H C -2.371 172.925 175.328 -0.053 0.000 1.042 116 H CA -1.655 54.367 56.048 -0.043 0.000 1.300 116 H CB 0.649 30.387 29.762 -0.040 0.000 1.431 116 H HN 0.482 nan 8.280 nan 0.000 0.496 117 P HA 0.329 nan 4.420 nan 0.000 0.281 117 P C -0.625 176.668 177.300 -0.012 0.000 1.249 117 P CA -0.575 62.520 63.100 -0.009 0.000 0.810 117 P CB 1.730 33.412 31.700 -0.029 0.000 1.008 118 A N 1.479 124.279 122.820 -0.033 0.000 2.320 118 A HA 0.753 5.073 4.320 -0.000 0.000 0.334 118 A C -0.357 177.207 177.584 -0.033 0.000 1.147 118 A CA -0.571 51.441 52.037 -0.043 0.000 0.820 118 A CB 0.872 19.827 19.000 -0.075 0.000 1.218 118 A HN 0.633 nan 8.150 nan 0.000 0.482 119 A N 0.337 123.141 122.820 -0.027 0.000 2.386 119 A HA 0.844 5.164 4.320 -0.000 0.000 0.308 119 A C 0.368 177.944 177.584 -0.014 0.000 1.128 119 A CA -0.124 51.903 52.037 -0.017 0.000 0.789 119 A CB 0.831 19.824 19.000 -0.012 0.000 1.325 119 A HN 2.279 nan 8.150 nan 0.000 0.437 120 A N -0.213 122.603 122.820 -0.006 0.000 2.425 120 A HA 0.415 4.735 4.320 -0.000 0.000 0.242 120 A C 0.906 178.489 177.584 -0.002 0.000 1.077 120 A CA 0.138 52.174 52.037 -0.002 0.000 0.781 120 A CB -0.027 18.975 19.000 0.004 0.000 1.020 120 A HN 1.650 nan 8.150 nan 0.000 0.494 121 L N 1.368 122.591 121.223 0.000 0.000 2.162 121 L HA 0.138 4.478 4.340 -0.000 0.000 0.205 121 L C 1.287 178.160 176.870 0.005 0.000 1.086 121 L CA 2.299 57.141 54.840 0.003 0.000 0.778 121 L CB -0.283 41.779 42.059 0.005 0.000 0.928 121 L HN 0.893 nan 8.230 nan 0.000 0.446 122 T N -2.524 112.033 114.554 0.005 0.000 2.907 122 T HA 0.406 4.756 4.350 -0.000 0.000 0.292 122 T C -0.324 174.379 174.700 0.005 0.000 1.043 122 T CA -0.885 61.218 62.100 0.005 0.000 1.003 122 T CB 1.188 70.059 68.868 0.005 0.000 1.084 122 T HN 0.171 nan 8.240 nan 0.000 0.483 123 E N 1.368 121.571 120.200 0.005 0.000 2.529 123 E HA 0.041 4.391 4.350 -0.000 0.000 0.259 123 E C -0.009 176.594 176.600 0.006 0.000 0.966 123 E CA -0.082 56.321 56.400 0.005 0.000 0.937 123 E CB 0.189 29.892 29.700 0.005 0.000 0.923 123 E HN 0.675 nan 8.360 nan 0.000 0.468 124 K N 1.985 122.390 120.400 0.007 0.000 3.104 124 K HA -0.313 4.007 4.320 -0.000 0.000 0.285 124 K C -0.299 176.306 176.600 0.009 0.000 1.136 124 K CA 1.261 57.554 56.287 0.009 0.000 0.842 124 K CB -1.421 31.084 32.500 0.008 0.000 1.217 124 K HN 0.703 nan 8.250 nan 0.000 0.467 125 Q N -1.700 118.105 119.800 0.008 0.000 2.457 125 Q HA -0.304 4.036 4.340 -0.000 0.000 0.283 125 Q C -0.184 175.818 176.000 0.004 0.000 1.234 125 Q CA 1.357 57.164 55.803 0.007 0.000 0.877 125 Q CB -1.172 27.573 28.738 0.012 0.000 1.250 125 Q HN 0.606 nan 8.270 nan 0.000 0.481 126 E N -0.704 119.498 120.200 0.004 0.000 2.479 126 E HA 0.152 4.502 4.350 -0.000 0.000 0.193 126 E C 1.208 177.808 176.600 0.000 0.000 1.049 126 E CA 0.335 56.736 56.400 0.002 0.000 0.870 126 E CB 0.413 30.114 29.700 0.003 0.000 0.944 126 E HN 0.598 nan 8.360 nan 0.000 0.492 127 G N 2.215 111.015 108.800 0.001 0.000 2.198 127 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.260 127 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.260 127 G C 0.727 175.627 174.900 0.001 0.000 1.025 127 G CA 1.142 46.242 45.100 0.001 0.000 0.769 127 G HN 0.303 nan 8.290 nan 0.000 0.507 128 K N -1.447 118.954 120.400 0.001 0.000 2.380 128 K HA 0.170 4.490 4.320 -0.000 0.000 0.200 128 K C 0.482 177.083 176.600 0.002 0.000 1.201 128 K CA 0.905 57.192 56.287 0.001 0.000 0.916 128 K CB 0.728 33.229 32.500 0.001 0.000 1.187 128 K HN 0.243 nan 8.250 nan 0.000 0.498 129 T N 2.125 116.681 114.554 0.003 0.000 2.812 129 T HA 0.403 4.753 4.350 -0.000 0.000 0.282 129 T C -0.266 174.437 174.700 0.005 0.000 0.990 129 T CA -0.654 61.448 62.100 0.004 0.000 0.960 129 T CB 1.553 70.423 68.868 0.004 0.000 0.948 129 T HN -0.012 nan 8.240 nan 0.000 0.438 130 L N 3.352 124.579 121.223 0.007 0.000 2.483 130 L HA 0.256 4.596 4.340 -0.000 0.000 0.276 130 L C 1.555 178.429 176.870 0.006 0.000 1.213 130 L CA -0.363 54.481 54.840 0.008 0.000 0.843 130 L CB 0.235 42.300 42.059 0.010 0.000 1.107 130 L HN 0.758 nan 8.230 nan 0.000 0.487 131 T N -0.656 113.901 114.554 0.005 0.000 2.847 131 T HA 0.335 4.685 4.350 -0.000 0.000 0.279 131 T C -2.184 172.518 174.700 0.003 0.000 0.984 131 T CA -1.580 60.522 62.100 0.003 0.000 0.988 131 T CB 0.953 69.822 68.868 0.002 0.000 1.040 131 T HN 0.488 nan 8.240 nan 0.000 0.528 132 P HA 0.308 nan 4.420 nan 0.000 0.231 132 P C 0.833 178.133 177.300 -0.000 0.000 1.811 132 P CA -0.354 62.746 63.100 0.001 0.000 1.051 132 P CB -0.106 31.595 31.700 0.001 0.000 1.951 133 A N 3.292 126.112 122.820 0.000 0.000 1.927 133 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 133 A C 2.335 179.918 177.584 -0.002 0.000 1.185 133 A CA 2.275 54.311 52.037 -0.001 0.000 0.639 133 A CB -1.694 17.306 19.000 -0.000 0.000 0.820 133 A HN 0.428 nan 8.150 nan 0.000 0.451 134 G N -0.298 108.501 108.800 -0.002 0.000 2.491 134 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 134 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 134 G C 1.558 176.456 174.900 -0.003 0.000 1.180 134 G CA 1.149 46.248 45.100 -0.002 0.000 0.774 134 G HN 0.466 nan 8.290 nan 0.000 0.562 135 L N -0.116 121.105 121.223 -0.003 0.000 2.093 135 L HA 0.030 4.370 4.340 -0.000 0.000 0.208 135 L C 2.939 179.806 176.870 -0.004 0.000 1.085 135 L CA 0.385 55.223 54.840 -0.003 0.000 0.755 135 L CB -0.432 41.625 42.059 -0.003 0.000 0.904 135 L HN 0.186 nan 8.230 nan 0.000 0.435 136 L N -0.434 120.786 121.223 -0.004 0.000 2.046 136 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 136 L C 2.872 179.738 176.870 -0.006 0.000 1.077 136 L CA 1.303 56.139 54.840 -0.006 0.000 0.747 136 L CB -0.530 41.525 42.059 -0.006 0.000 0.896 136 L HN 0.260 nan 8.230 nan 0.000 0.432 137 R N 0.373 120.869 120.500 -0.005 0.000 2.081 137 R HA -0.221 4.119 4.340 -0.000 0.000 0.235 137 R C 2.237 178.535 176.300 -0.004 0.000 1.131 137 R CA 1.757 57.854 56.100 -0.005 0.000 0.960 137 R CB -0.159 30.137 30.300 -0.005 0.000 0.856 137 R HN 0.385 nan 8.270 nan 0.000 0.436 138 E N -0.187 120.010 120.200 -0.004 0.000 2.118 138 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 138 E C 1.531 178.127 176.600 -0.006 0.000 0.992 138 E CA 1.262 57.659 56.400 -0.005 0.000 0.804 138 E CB -0.075 29.623 29.700 -0.005 0.000 0.741 138 E HN 0.487 nan 8.360 nan 0.000 0.458 139 A N -0.316 122.500 122.820 -0.007 0.000 2.119 139 A HA 0.144 4.464 4.320 -0.000 0.000 0.217 139 A C 1.777 179.354 177.584 -0.012 0.000 1.153 139 A CA 1.259 53.290 52.037 -0.010 0.000 0.692 139 A CB -0.099 18.895 19.000 -0.011 0.000 0.799 139 A HN 0.507 nan 8.150 nan 0.000 0.458 140 G N -2.780 106.016 108.800 -0.007 0.000 2.273 140 G HA2 0.246 4.206 3.960 -0.000 0.000 0.162 140 G HA3 0.246 4.206 3.960 -0.000 0.000 0.162 140 G C 0.328 175.230 174.900 0.004 0.000 1.006 140 G CA -0.007 45.091 45.100 -0.003 0.000 0.704 140 G HN 1.361 nan 8.290 nan 0.000 0.487 141 A N 0.507 123.326 122.820 -0.002 0.000 2.511 141 A HA 0.617 4.937 4.320 -0.000 0.000 0.242 141 A C 1.662 179.246 177.584 0.001 0.000 1.069 141 A CA 0.857 52.893 52.037 -0.003 0.000 0.763 141 A CB 0.716 19.710 19.000 -0.010 0.000 1.001 141 A HN 1.554 nan 8.150 nan 0.000 0.498 142 V N 0.102 120.017 119.914 0.000 0.000 3.661 142 V HA 0.498 4.618 4.120 -0.000 0.000 0.271 142 V C 0.070 176.140 176.094 -0.040 0.000 1.315 142 V CA 0.729 63.021 62.300 -0.013 0.000 1.072 142 V CB -1.316 30.503 31.823 -0.006 0.000 0.830 142 V HN 1.324 nan 8.190 nan 0.000 0.443 143 L N -1.757 119.442 121.223 -0.040 0.000 2.794 143 L HA 0.743 5.083 4.340 -0.000 0.000 0.261 143 L C -1.534 175.312 176.870 -0.040 0.000 0.989 143 L CA -0.958 53.853 54.840 -0.049 0.000 0.900 143 L CB 1.668 43.679 42.059 -0.079 0.000 1.473 143 L HN -0.032 nan 8.230 nan 0.000 0.414 144 L N 1.230 122.434 121.223 -0.031 0.000 2.329 144 L HA 0.923 5.263 4.340 -0.000 0.000 0.279 144 L C -0.196 176.660 176.870 -0.024 0.000 1.014 144 L CA -0.456 54.370 54.840 -0.023 0.000 0.814 144 L CB 2.017 44.069 42.059 -0.011 0.000 1.257 144 L HN 0.913 nan 8.230 nan 0.000 0.424 145 T N -0.681 113.858 114.554 -0.026 0.000 3.047 145 T HA 0.218 4.568 4.350 -0.000 0.000 0.340 145 T C -0.834 173.861 174.700 -0.009 0.000 1.421 145 T CA -0.485 61.600 62.100 -0.024 0.000 1.090 145 T CB 1.489 70.320 68.868 -0.062 0.000 1.292 145 T HN 0.577 nan 8.240 nan 0.000 0.480 146 D N 1.980 122.384 120.400 0.006 0.000 2.342 146 D HA 0.168 4.808 4.640 -0.000 0.000 0.221 146 D C 0.156 176.473 176.300 0.027 0.000 1.101 146 D CA -0.072 53.937 54.000 0.014 0.000 0.837 146 D CB 0.159 40.965 40.800 0.011 0.000 0.938 146 D HN 0.646 nan 8.370 nan 0.000 0.508 147 D N -0.334 120.090 120.400 0.039 0.000 2.730 147 D HA 0.131 4.771 4.640 -0.000 0.000 0.225 147 D C 1.498 177.875 176.300 0.129 0.000 1.107 147 D CA 1.771 55.829 54.000 0.097 0.000 0.837 147 D CB 0.372 41.215 40.800 0.071 0.000 1.171 147 D HN 0.259 nan 8.370 nan 0.000 0.498 148 G N 3.988 112.818 108.800 0.050 0.000 2.799 148 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.200 148 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.200 148 G C 0.031 174.798 174.900 -0.221 0.000 1.206 148 G CA -0.346 44.725 45.100 -0.049 0.000 0.827 148 G HN 0.592 nan 8.290 nan 0.000 0.511 149 R N 2.080 122.517 120.500 -0.106 0.000 2.457 149 R HA 0.591 4.931 4.340 -0.000 0.000 0.284 149 R C 0.629 176.873 176.300 -0.093 0.000 1.024 149 R CA 0.377 56.411 56.100 -0.109 0.000 1.025 149 R CB 0.901 31.177 30.300 -0.040 0.000 1.063 149 R HN 0.607 nan 8.270 nan 0.000 0.493 150 T N -1.221 113.278 114.554 -0.092 0.000 2.847 150 T HA 0.261 4.611 4.350 -0.000 0.000 0.279 150 T C 0.380 175.090 174.700 0.017 0.000 0.984 150 T CA -0.843 61.255 62.100 -0.002 0.000 0.988 150 T CB 0.788 69.672 68.868 0.026 0.000 1.040 150 T HN 0.411 nan 8.240 nan 0.000 0.528 151 N N 1.861 120.579 118.700 0.031 0.000 2.955 151 N HA 0.113 4.853 4.740 -0.000 0.000 0.242 151 N C 0.446 175.962 175.510 0.011 0.000 1.123 151 N CA -0.419 52.641 53.050 0.017 0.000 0.949 151 N CB 1.260 39.759 38.487 0.019 0.000 1.214 151 N HN 0.578 nan 8.380 nan 0.000 0.504 152 E N 0.431 120.634 120.200 0.005 0.000 2.106 152 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 152 E C 0.248 176.844 176.600 -0.005 0.000 0.984 152 E CA 1.051 57.452 56.400 0.001 0.000 0.806 152 E CB 0.132 29.832 29.700 -0.001 0.000 0.750 152 E HN 0.465 nan 8.360 nan 0.000 0.458 153 D N 0.155 120.551 120.400 -0.007 0.000 2.365 153 D HA 0.200 4.840 4.640 -0.000 0.000 0.237 153 D C 0.722 177.010 176.300 -0.021 0.000 1.190 153 D CA -0.010 53.981 54.000 -0.015 0.000 0.867 153 D CB 1.218 42.010 40.800 -0.013 0.000 1.050 153 D HN -0.057 nan 8.370 nan 0.000 0.491 154 A N 3.485 126.286 122.820 -0.031 0.000 2.019 154 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 154 A C 2.010 179.555 177.584 -0.066 0.000 1.164 154 A CA 1.629 53.640 52.037 -0.045 0.000 0.644 154 A CB -0.415 18.551 19.000 -0.058 0.000 0.805 154 A HN 0.622 nan 8.150 nan 0.000 0.449 155 G N -0.630 108.128 108.800 -0.070 0.000 2.408 155 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.217 155 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.217 155 G C 1.468 176.346 174.900 -0.036 0.000 1.150 155 G CA 1.154 46.206 45.100 -0.080 0.000 0.776 155 G HN 0.311 nan 8.290 nan 0.000 0.542 156 V N 0.767 120.670 119.914 -0.019 0.000 2.358 156 V HA -0.112 4.008 4.120 -0.000 0.000 0.246 156 V C 2.651 178.750 176.094 0.008 0.000 1.047 156 V CA 1.554 63.853 62.300 -0.002 0.000 1.035 156 V CB -0.456 31.366 31.823 -0.001 0.000 0.658 156 V HN 0.356 nan 8.190 nan 0.000 0.452 157 L N 1.028 122.254 121.223 0.004 0.000 2.046 157 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 157 L C 2.436 179.328 176.870 0.037 0.000 1.077 157 L CA 2.383 57.233 54.840 0.017 0.000 0.747 157 L CB -0.985 41.081 42.059 0.012 0.000 0.896 157 L HN 0.214 nan 8.230 nan 0.000 0.432 158 A N -0.350 122.490 122.820 0.033 0.000 1.877 158 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 158 A C 2.469 180.142 177.584 0.148 0.000 1.186 158 A CA 2.010 54.112 52.037 0.108 0.000 0.620 158 A CB -1.300 17.694 19.000 -0.011 0.000 0.822 158 A HN 0.589 nan 8.150 nan 0.000 0.443 159 A N -0.567 122.309 122.820 0.094 0.000 1.933 159 A HA 0.116 4.436 4.320 -0.000 0.000 0.218 159 A C 2.404 180.024 177.584 0.060 0.000 1.175 159 A CA 1.951 54.039 52.037 0.085 0.000 0.628 159 A CB -1.383 17.647 19.000 0.051 0.000 0.814 159 A HN 0.758 nan 8.150 nan 0.000 0.444 160 G N -0.162 108.665 108.800 0.046 0.000 2.418 160 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 160 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 160 G C 1.549 176.469 174.900 0.035 0.000 1.158 160 G CA 1.049 46.168 45.100 0.033 0.000 0.771 160 G HN 0.438 nan 8.290 nan 0.000 0.545 161 L N 0.064 121.316 121.223 0.049 0.000 2.083 161 L HA 0.101 4.441 4.340 -0.000 0.000 0.209 161 L C 1.748 178.637 176.870 0.033 0.000 1.083 161 L CA 0.005 54.871 54.840 0.043 0.000 0.752 161 L CB -0.421 41.675 42.059 0.061 0.000 0.899 161 L HN 0.149 nan 8.230 nan 0.000 0.433 165 A N 1.464 124.284 122.820 -0.001 0.000 1.869 165 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 165 A C 0.389 177.967 177.584 -0.009 0.000 1.203 165 A CA 2.510 54.544 52.037 -0.006 0.000 0.638 165 A CB -1.704 17.289 19.000 -0.011 0.000 0.831 165 A HN 0.499 nan 8.150 nan 0.000 0.450 166 P HA -0.036 nan 4.420 nan 0.000 0.226 166 P C 1.059 178.354 177.300 -0.008 0.000 1.153 166 P CA 0.802 63.897 63.100 -0.009 0.000 0.777 166 P CB -0.099 31.595 31.700 -0.009 0.000 0.794 167 L N -1.525 119.694 121.223 -0.007 0.000 2.567 167 L HA 0.271 4.611 4.340 -0.000 0.000 0.225 167 L C 1.638 178.502 176.870 -0.010 0.000 1.119 167 L CA 0.660 55.495 54.840 -0.008 0.000 0.871 167 L CB -0.916 41.139 42.059 -0.006 0.000 1.036 167 L HN 0.063 nan 8.230 nan 0.000 0.459 168 G N 0.989 109.782 108.800 -0.011 0.000 2.153 168 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.252 168 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.252 168 G C 0.165 175.053 174.900 -0.019 0.000 0.994 168 G CA -0.075 45.016 45.100 -0.015 0.000 0.698 168 G HN 0.248 nan 8.290 nan 0.000 0.521 169 L N 1.261 122.474 121.223 -0.016 0.000 2.260 169 L HA 0.367 4.707 4.340 -0.000 0.000 0.289 169 L C -1.822 175.037 176.870 -0.018 0.000 1.057 169 L CA -2.056 52.772 54.840 -0.020 0.000 0.811 169 L CB 1.311 43.361 42.059 -0.015 0.000 1.184 169 L HN -0.090 nan 8.230 nan 0.000 0.429 170 P HA 0.091 nan 4.420 nan 0.000 0.272 170 P C -0.838 176.459 177.300 -0.006 0.000 1.223 170 P CA -0.276 62.814 63.100 -0.017 0.000 0.784 170 P CB 1.017 32.691 31.700 -0.044 0.000 0.923 171 V N 2.340 122.263 119.914 0.016 0.000 2.347 171 V HA 0.546 4.666 4.120 -0.000 0.000 0.280 171 V C 0.286 176.403 176.094 0.040 0.000 1.021 171 V CA -0.603 61.708 62.300 0.018 0.000 0.847 171 V CB 0.783 32.618 31.823 0.020 0.000 0.990 171 V HN 0.634 nan 8.190 nan 0.000 0.444 172 A N 5.488 128.328 122.820 0.032 0.000 2.290 172 A HA 0.851 5.171 4.320 -0.000 0.000 0.310 172 A C -0.284 177.302 177.584 0.004 0.000 1.202 172 A CA -0.473 51.597 52.037 0.055 0.000 0.837 172 A CB 1.256 20.298 19.000 0.069 0.000 1.139 172 A HN 1.213 nan 8.150 nan 0.000 0.509 173 V N 0.578 120.482 119.914 -0.017 0.000 2.769 173 V HA 0.585 4.705 4.120 -0.000 0.000 0.312 173 V C -0.296 175.787 176.094 -0.017 0.000 1.061 173 V CA -0.731 61.568 62.300 -0.002 0.000 0.931 173 V CB 1.427 33.253 31.823 0.004 0.000 1.010 173 V HN 0.953 nan 8.190 nan 0.000 0.433 174 H N 3.391 122.435 119.070 -0.044 0.000 2.787 174 H HA 0.707 5.263 4.556 -0.000 0.000 0.275 174 H C 0.385 175.732 175.328 0.031 0.000 1.183 174 H CA 0.117 56.159 56.048 -0.011 0.000 1.290 174 H CB 0.650 30.447 29.762 0.057 0.000 1.438 174 H HN 1.171 nan 8.280 nan 0.000 0.487 175 A N 5.519 128.322 122.820 -0.029 0.000 2.671 175 A HA 0.233 4.553 4.320 -0.000 0.000 0.306 175 A C -0.273 177.329 177.584 0.030 0.000 1.473 175 A CA -0.216 51.828 52.037 0.011 0.000 1.155 175 A CB -0.190 18.790 19.000 -0.033 0.000 1.123 175 A HN 0.881 nan 8.150 nan 0.000 0.545 176 E N 1.428 121.699 120.200 0.118 0.000 2.304 176 E HA 0.101 4.451 4.350 -0.000 0.000 0.277 176 E C -1.709 174.937 176.600 0.076 0.000 0.898 176 E CA -0.718 55.741 56.400 0.099 0.000 0.764 176 E CB 1.918 31.721 29.700 0.172 0.000 1.216 176 E HN 0.625 nan 8.360 nan 0.000 0.419 177 D N 2.629 123.053 120.400 0.040 0.000 2.374 177 D HA 0.143 4.783 4.640 -0.000 0.000 0.240 177 D C 0.815 177.129 176.300 0.024 0.000 1.229 177 D CA 0.099 54.115 54.000 0.027 0.000 0.895 177 D CB 1.241 42.051 40.800 0.015 0.000 1.046 177 D HN 0.609 nan 8.370 nan 0.000 0.498 178 A N 3.709 126.541 122.820 0.021 0.000 1.986 178 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 178 A C 2.058 179.647 177.584 0.010 0.000 1.171 178 A CA 1.843 53.887 52.037 0.011 0.000 0.640 178 A CB -0.580 18.421 19.000 0.001 0.000 0.811 178 A HN 0.641 nan 8.150 nan 0.000 0.451 179 G N -0.721 108.084 108.800 0.009 0.000 2.422 179 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.218 179 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.218 179 G C 1.389 176.295 174.900 0.010 0.000 1.146 179 G CA 1.251 46.356 45.100 0.008 0.000 0.769 179 G HN 0.521 nan 8.290 nan 0.000 0.547 180 L N 0.023 121.253 121.223 0.012 0.000 2.416 180 L HA 0.386 4.726 4.340 -0.000 0.000 0.216 180 L C 2.524 179.404 176.870 0.016 0.000 1.098 180 L CA 0.957 55.804 54.840 0.013 0.000 0.840 180 L CB -0.299 41.766 42.059 0.011 0.000 0.981 180 L HN 0.236 nan 8.230 nan 0.000 0.462 181 R N -0.236 120.275 120.500 0.018 0.000 2.115 181 R HA -0.098 4.242 4.340 -0.000 0.000 0.230 181 R C 1.146 177.462 176.300 0.026 0.000 1.111 181 R CA 0.802 56.915 56.100 0.021 0.000 0.976 181 R CB 0.065 30.375 30.300 0.018 0.000 0.870 181 R HN 0.267 nan 8.270 nan 0.000 0.445 182 R N -0.860 119.654 120.500 0.022 0.000 3.772 182 R HA -0.287 4.053 4.340 -0.000 0.000 0.480 182 R C -0.144 176.178 176.300 0.036 0.000 0.241 182 R CA 2.205 58.321 56.100 0.026 0.000 1.508 182 R CB -1.218 29.097 30.300 0.026 0.000 0.956 182 R HN 0.378 nan 8.270 nan 0.000 0.583 183 N N 0.131 118.861 118.700 0.049 0.000 2.660 183 N HA 0.291 5.031 4.740 -0.000 0.000 0.316 183 N C -0.780 174.796 175.510 0.109 0.000 1.774 183 N CA 0.241 53.336 53.050 0.074 0.000 0.946 183 N CB 1.552 40.079 38.487 0.067 0.000 1.322 183 N HN 0.569 nan 8.380 nan 0.000 0.492 184 G N 0.583 109.444 108.800 0.100 0.000 2.380 184 G HA2 0.274 4.234 3.960 -0.000 0.000 0.242 184 G HA3 0.274 4.234 3.960 -0.000 0.000 0.242 184 G C 0.623 175.647 174.900 0.205 0.000 1.298 184 G CA -0.236 44.933 45.100 0.115 0.000 0.878 184 G HN 0.170 nan 8.290 nan 0.000 0.542 188 D N 1.590 122.007 120.400 0.028 0.000 2.345 188 D HA 0.704 5.344 4.640 -0.000 0.000 0.247 188 D C 0.633 176.941 176.300 0.014 0.000 1.108 188 D CA 1.563 55.576 54.000 0.022 0.000 0.894 188 D CB 0.817 41.630 40.800 0.022 0.000 1.203 188 D HN 0.816 nan 8.370 nan 0.000 0.430 189 G N 2.435 111.241 108.800 0.011 0.000 2.350 189 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.282 189 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.282 189 G C -2.174 172.728 174.900 0.003 0.000 1.314 189 G CA -0.470 44.633 45.100 0.006 0.000 0.915 189 G HN 0.337 nan 8.290 nan 0.000 0.499 190 P HA -0.042 nan 4.420 nan 0.000 0.215 190 P C 2.239 179.535 177.300 -0.007 0.000 1.157 190 P CA 1.287 64.386 63.100 -0.001 0.000 0.874 190 P CB 0.133 31.831 31.700 -0.003 0.000 0.790 191 L N -0.306 120.908 121.223 -0.015 0.000 2.042 191 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 191 L C 2.202 179.053 176.870 -0.031 0.000 1.076 191 L CA 2.105 56.926 54.840 -0.031 0.000 0.749 191 L CB -1.619 40.413 42.059 -0.045 0.000 0.893 191 L HN -0.112 nan 8.230 nan 0.000 0.432 192 A N -0.818 121.993 122.820 -0.016 0.000 1.908 192 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 192 A C 1.991 179.583 177.584 0.013 0.000 1.181 192 A CA 1.950 53.985 52.037 -0.003 0.000 0.627 192 A CB -0.825 18.182 19.000 0.011 0.000 0.818 192 A HN 0.539 nan 8.150 nan 0.000 0.445 193 D N -0.517 119.890 120.400 0.013 0.000 2.117 193 D HA -0.111 4.529 4.640 -0.000 0.000 0.198 193 D C 1.831 178.146 176.300 0.025 0.000 0.982 193 D CA 1.178 55.190 54.000 0.020 0.000 0.828 193 D CB -0.456 40.353 40.800 0.015 0.000 0.967 193 D HN 0.347 nan 8.370 nan 0.000 0.464 194 L N 0.465 121.697 121.223 0.014 0.000 2.083 194 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 194 L C 1.908 178.803 176.870 0.042 0.000 1.083 194 L CA 1.428 56.279 54.840 0.018 0.000 0.752 194 L CB -0.277 41.781 42.059 -0.001 0.000 0.899 194 L HN 0.006 nan 8.230 nan 0.000 0.433 195 L N -0.612 120.630 121.223 0.033 0.000 2.558 195 L HA 0.239 4.579 4.340 -0.000 0.000 0.225 195 L C 1.366 178.359 176.870 0.206 0.000 1.128 195 L CA 0.445 55.343 54.840 0.097 0.000 0.868 195 L CB -0.790 41.204 42.059 -0.108 0.000 1.006 195 L HN 0.500 nan 8.230 nan 0.000 0.454 196 G N 1.329 110.199 108.800 0.116 0.000 2.246 196 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.273 196 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.273 196 G C -0.134 174.834 174.900 0.113 0.000 1.055 196 G CA 0.081 45.242 45.100 0.102 0.000 0.851 196 G HN 0.256 nan 8.290 nan 0.000 0.500 197 L N 0.564 121.848 121.223 0.103 0.000 2.342 197 L HA 0.556 4.896 4.340 -0.000 0.000 0.271 197 L C -1.626 175.281 176.870 0.063 0.000 1.008 197 L CA -2.497 52.400 54.840 0.096 0.000 0.818 197 L CB 2.068 44.188 42.059 0.103 0.000 1.296 197 L HN -0.036 nan 8.230 nan 0.000 0.427 198 P HA 0.089 nan 4.420 nan 0.000 0.271 198 P C -0.280 177.054 177.300 0.057 0.000 1.226 198 P CA -0.079 63.052 63.100 0.052 0.000 0.765 198 P CB 0.867 32.599 31.700 0.053 0.000 0.835 199 G N 2.705 111.533 108.800 0.047 0.000 2.400 199 G HA2 0.214 4.174 3.960 -0.000 0.000 0.301 199 G HA3 0.214 4.174 3.960 -0.000 0.000 0.301 199 G C -0.338 174.591 174.900 0.049 0.000 1.154 199 G CA -0.389 44.739 45.100 0.046 0.000 0.852 199 G HN 0.550 nan 8.290 nan 0.000 0.511 200 N N 1.844 120.576 118.700 0.053 0.000 2.558 200 N HA 0.354 5.094 4.740 -0.000 0.000 0.242 200 N C -2.741 172.789 175.510 0.033 0.000 0.979 200 N CA -2.075 51.003 53.050 0.048 0.000 0.931 200 N CB 1.657 40.181 38.487 0.062 0.000 1.122 200 N HN 0.020 nan 8.380 nan 0.000 0.508 201 P HA 0.092 nan 4.420 nan 0.000 0.263 201 P C -1.866 175.439 177.300 0.009 0.000 1.195 201 P CA -0.878 62.231 63.100 0.016 0.000 0.762 201 P CB 0.521 32.229 31.700 0.013 0.000 0.799 202 P HA -0.145 nan 4.420 nan 0.000 0.222 202 P C 0.775 178.070 177.300 -0.009 0.000 1.147 202 P CA 1.340 64.436 63.100 -0.006 0.000 0.790 202 P CB 0.219 31.915 31.700 -0.006 0.000 0.780 203 E N 0.280 120.479 120.200 -0.003 0.000 2.338 203 E HA -0.042 4.308 4.350 -0.000 0.000 0.197 203 E C 2.203 178.802 176.600 -0.002 0.000 1.007 203 E CA 1.027 57.425 56.400 -0.003 0.000 0.849 203 E CB -0.798 28.902 29.700 0.000 0.000 0.774 203 E HN 0.225 nan 8.360 nan 0.000 0.506 204 A N 0.838 123.660 122.820 0.002 0.000 1.969 204 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 204 A C 2.125 179.712 177.584 0.004 0.000 1.169 204 A CA 1.590 53.631 52.037 0.007 0.000 0.635 204 A CB -0.304 18.704 19.000 0.013 0.000 0.810 204 A HN 0.299 nan 8.150 nan 0.000 0.445 205 E N -0.143 120.052 120.200 -0.008 0.000 2.051 205 E HA -0.023 4.327 4.350 -0.000 0.000 0.189 205 E C 2.137 178.725 176.600 -0.020 0.000 0.979 205 E CA 0.837 57.225 56.400 -0.020 0.000 0.803 205 E CB -0.254 29.419 29.700 -0.046 0.000 0.761 205 E HN 0.480 nan 8.360 nan 0.000 0.451 206 A N 1.413 124.222 122.820 -0.019 0.000 1.908 206 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 206 A C 2.410 179.988 177.584 -0.011 0.000 1.181 206 A CA 1.886 53.913 52.037 -0.017 0.000 0.627 206 A CB -0.833 18.158 19.000 -0.014 0.000 0.818 206 A HN 0.426 nan 8.150 nan 0.000 0.445 207 A N -0.357 122.459 122.820 -0.006 0.000 1.877 207 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 207 A C 2.207 179.790 177.584 -0.002 0.000 1.186 207 A CA 2.193 54.229 52.037 -0.003 0.000 0.620 207 A CB -0.423 18.578 19.000 0.001 0.000 0.822 207 A HN 0.437 nan 8.150 nan 0.000 0.443 208 R N -0.163 120.337 120.500 0.001 0.000 2.090 208 R HA 0.008 4.348 4.340 -0.000 0.000 0.228 208 R C 1.595 177.893 176.300 -0.003 0.000 1.110 208 R CA 1.509 57.612 56.100 0.004 0.000 0.973 208 R CB -0.899 29.411 30.300 0.016 0.000 0.869 208 R HN 0.444 nan 8.270 nan 0.000 0.440 209 I N 0.773 121.336 120.570 -0.012 0.000 2.179 209 I HA -0.155 4.015 4.170 -0.000 0.000 0.242 209 I C 2.310 178.420 176.117 -0.012 0.000 1.088 209 I CA 1.678 62.966 61.300 -0.019 0.000 1.357 209 I CB -0.792 37.190 38.000 -0.029 0.000 1.051 209 I HN 0.235 nan 8.210 nan 0.000 0.409 210 A N 0.308 123.122 122.820 -0.009 0.000 1.883 210 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 210 A C 2.541 180.124 177.584 -0.002 0.000 1.186 210 A CA 2.021 54.055 52.037 -0.005 0.000 0.624 210 A CB -0.703 18.294 19.000 -0.005 0.000 0.822 210 A HN 0.374 nan 8.150 nan 0.000 0.444 211 R N -0.399 120.100 120.500 -0.003 0.000 2.070 211 R HA -0.184 4.156 4.340 -0.000 0.000 0.233 211 R C 1.469 177.770 176.300 0.001 0.000 1.137 211 R CA 2.008 58.106 56.100 -0.003 0.000 0.945 211 R CB -0.493 29.805 30.300 -0.005 0.000 0.845 211 R HN 0.442 nan 8.270 nan 0.000 0.430 212 D N 0.714 121.115 120.400 0.001 0.000 2.182 212 D HA -0.156 4.484 4.640 -0.000 0.000 0.201 212 D C 1.963 178.271 176.300 0.013 0.000 0.986 212 D CA 0.958 54.962 54.000 0.006 0.000 0.847 212 D CB -0.152 40.649 40.800 0.002 0.000 0.942 212 D HN 0.303 nan 8.370 nan 0.000 0.467 213 L N 0.673 121.901 121.223 0.008 0.000 2.141 213 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 213 L C 2.240 179.124 176.870 0.024 0.000 1.094 213 L CA 0.869 55.717 54.840 0.013 0.000 0.763 213 L CB -0.172 41.890 42.059 0.005 0.000 0.908 213 L HN -0.069 nan 8.230 nan 0.000 0.437 214 E N -0.247 119.967 120.200 0.023 0.000 2.158 214 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 214 E C 2.384 179.019 176.600 0.058 0.000 0.982 214 E CA 0.818 57.238 56.400 0.033 0.000 0.823 214 E CB -0.233 29.479 29.700 0.020 0.000 0.766 214 E HN 0.267 nan 8.360 nan 0.000 0.468 215 V N 1.577 121.520 119.914 0.047 0.000 2.515 215 V HA -0.206 3.914 4.120 -0.000 0.000 0.250 215 V C 2.375 178.550 176.094 0.135 0.000 1.058 215 V CA 1.147 63.491 62.300 0.073 0.000 1.064 215 V CB -0.434 31.407 31.823 0.030 0.000 0.675 215 V HN 0.161 nan 8.190 nan 0.000 0.461 216 L N 0.222 121.495 121.223 0.083 0.000 2.093 216 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 216 L C 2.517 179.429 176.870 0.069 0.000 1.085 216 L CA 1.823 56.705 54.840 0.070 0.000 0.755 216 L CB -0.651 41.432 42.059 0.040 0.000 0.904 216 L HN 0.171 nan 8.230 nan 0.000 0.435 217 R N -1.830 118.713 120.500 0.072 0.000 2.096 217 R HA -0.219 4.121 4.340 -0.000 0.000 0.235 217 R C 2.238 178.582 176.300 0.074 0.000 1.127 217 R CA 1.741 57.875 56.100 0.057 0.000 0.968 217 R CB -0.682 29.650 30.300 0.054 0.000 0.861 217 R HN 0.495 nan 8.270 nan 0.000 0.440 218 Y N 1.158 121.458 120.300 -0.000 0.000 2.145 218 Y HA -0.201 4.349 4.550 -0.000 0.000 0.286 218 Y C 2.251 178.152 175.900 0.000 0.000 1.145 218 Y CA 1.348 59.448 58.100 0.000 0.000 1.148 218 Y CB -0.373 38.087 38.460 0.000 0.000 0.981 218 Y HN 0.018 nan 8.280 nan 0.000 0.507 219 A N 0.607 123.416 122.820 -0.019 0.000 1.933 219 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 219 A C 2.345 179.847 177.584 -0.137 0.000 1.175 219 A CA 1.757 53.727 52.037 -0.112 0.000 0.628 219 A CB -1.182 17.838 19.000 0.034 0.000 0.814 219 A HN 0.592 nan 8.150 nan 0.000 0.444 220 L N -1.066 120.112 121.223 -0.074 0.000 2.042 220 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 220 L C 2.848 179.661 176.870 -0.095 0.000 1.076 220 L CA 1.944 56.747 54.840 -0.062 0.000 0.749 220 L CB -0.378 41.664 42.059 -0.028 0.000 0.893 220 L HN 0.525 nan 8.230 nan 0.000 0.432 221 R N -0.373 120.049 120.500 -0.130 0.000 2.062 221 R HA -0.120 4.220 4.340 -0.000 0.000 0.231 221 R C 2.435 178.625 176.300 -0.184 0.000 1.136 221 R CA 1.060 57.078 56.100 -0.136 0.000 0.948 221 R CB -0.036 30.191 30.300 -0.123 0.000 0.845 221 R HN 0.120 nan 8.270 nan 0.000 0.430 222 R N 0.375 120.679 120.500 -0.327 0.000 2.189 222 R HA 0.064 4.404 4.340 -0.000 0.000 0.218 222 R C 0.632 176.822 176.300 -0.183 0.000 1.074 222 R CA 0.419 56.334 56.100 -0.308 0.000 0.991 222 R CB -0.307 29.659 30.300 -0.556 0.000 0.883 222 R HN 0.099 nan 8.270 nan 0.000 0.457 223 S N 0.502 116.110 115.700 -0.154 0.000 2.508 223 S HA 0.304 4.774 4.470 -0.000 0.000 0.284 223 S C -1.827 172.736 174.600 -0.063 0.000 1.192 223 S CA -1.638 56.508 58.200 -0.090 0.000 1.070 223 S CB 1.649 64.807 63.200 -0.070 0.000 1.004 223 S HN -0.107 nan 8.310 nan 0.000 0.493 224 P HA 0.159 nan 4.420 nan 0.000 0.217 224 P C -0.139 177.144 177.300 -0.029 0.000 1.151 224 P CA 0.551 63.630 63.100 -0.034 0.000 0.828 224 P CB 0.089 31.773 31.700 -0.027 0.000 0.788 225 A N -0.790 122.014 122.820 -0.027 0.000 2.279 225 A HA 0.450 4.770 4.320 -0.000 0.000 0.303 225 A C 0.064 177.635 177.584 -0.022 0.000 1.108 225 A CA -0.119 51.905 52.037 -0.021 0.000 0.830 225 A CB -0.094 18.896 19.000 -0.017 0.000 1.106 225 A HN -0.063 nan 8.150 nan 0.000 0.493 226 T N 4.103 118.647 114.554 -0.017 0.000 2.737 226 T HA 0.429 4.779 4.350 -0.000 0.000 0.296 226 T C -2.160 172.534 174.700 -0.010 0.000 0.922 226 T CA -0.428 61.663 62.100 -0.014 0.000 1.079 226 T CB 0.350 69.212 68.868 -0.010 0.000 0.892 226 T HN 0.560 nan 8.240 nan 0.000 0.514 227 P HA 0.333 nan 4.420 nan 0.000 0.276 227 P C -0.619 176.684 177.300 0.006 0.000 1.244 227 P CA -0.735 62.364 63.100 -0.001 0.000 0.801 227 P CB 0.931 32.632 31.700 0.002 0.000 1.006 228 R N 1.437 121.943 120.500 0.010 0.000 2.476 228 R HA 0.498 4.838 4.340 -0.000 0.000 0.305 228 R C -0.829 175.489 176.300 0.031 0.000 0.965 228 R CA -0.989 55.121 56.100 0.017 0.000 0.867 228 R CB 1.442 31.747 30.300 0.007 0.000 1.176 228 R HN 0.452 nan 8.270 nan 0.000 0.447 229 L N 2.704 123.952 121.223 0.041 0.000 2.322 229 L HA 0.435 4.775 4.340 -0.000 0.000 0.281 229 L C -1.020 175.901 176.870 0.085 0.000 1.014 229 L CA -0.538 54.331 54.840 0.048 0.000 0.815 229 L CB 1.202 43.277 42.059 0.027 0.000 1.247 229 L HN 0.566 nan 8.230 nan 0.000 0.421 230 H N 3.498 122.552 119.070 -0.027 0.000 2.646 230 H HA 0.582 5.138 4.556 -0.000 0.000 0.328 230 H C -1.439 173.862 175.328 -0.045 0.000 0.998 230 H CA -0.623 55.404 56.048 -0.036 0.000 1.225 230 H CB 1.457 31.191 29.762 -0.046 0.000 1.457 230 H HN 0.414 nan 8.280 nan 0.000 0.505 231 V N 6.550 126.182 119.914 -0.470 0.000 2.408 231 V HA 0.146 4.266 4.120 -0.000 0.000 0.267 231 V C 0.486 176.274 176.094 -0.510 0.000 1.047 231 V CA -0.366 61.717 62.300 -0.362 0.000 0.937 231 V CB 0.733 32.422 31.823 -0.223 0.000 0.999 231 V HN 0.833 nan 8.190 nan 0.000 0.472 232 Q N 2.424 122.011 119.800 -0.355 0.000 2.414 232 Q HA 0.250 4.590 4.340 -0.000 0.000 0.206 232 Q C 0.203 176.042 176.000 -0.269 0.000 1.058 232 Q CA -0.724 54.904 55.803 -0.291 0.000 1.025 232 Q CB 0.279 28.848 28.738 -0.281 0.000 1.196 232 Q HN 1.014 nan 8.270 nan 0.000 0.586 233 H N -0.766 118.341 119.070 0.061 0.000 2.029 233 H HA -0.180 4.376 4.556 -0.000 0.000 0.274 233 H C -1.051 174.180 175.328 -0.161 0.000 0.671 233 H CA 0.196 56.225 56.048 -0.032 0.000 1.279 233 H CB -1.373 28.416 29.762 0.044 0.000 1.366 233 H HN 0.401 nan 8.280 nan 0.000 0.309 234 L N 3.243 124.442 121.223 -0.040 0.000 2.290 234 L HA 0.269 4.609 4.340 -0.000 0.000 0.284 234 L C 0.883 177.633 176.870 -0.199 0.000 1.078 234 L CA 0.407 55.185 54.840 -0.105 0.000 0.815 234 L CB 0.883 42.885 42.059 -0.095 0.000 1.162 234 L HN 0.921 nan 8.230 nan 0.000 0.435 235 S N 0.161 115.693 115.700 -0.281 0.000 2.604 235 S HA 0.140 4.610 4.470 -0.000 0.000 0.235 235 S C 0.457 174.951 174.600 -0.178 0.000 1.043 235 S CA 0.222 58.186 58.200 -0.394 0.000 0.997 235 S CB 0.150 62.864 63.200 -0.811 0.000 0.956 235 S HN 0.684 nan 8.310 nan 0.000 0.535 236 T N -0.635 113.848 114.554 -0.118 0.000 2.940 236 T HA 0.520 4.870 4.350 -0.000 0.000 0.288 236 T C 0.549 175.225 174.700 -0.040 0.000 1.033 236 T CA -0.782 61.280 62.100 -0.063 0.000 1.033 236 T CB 2.208 71.045 68.868 -0.052 0.000 1.079 236 T HN 0.090 nan 8.240 nan 0.000 0.496 237 K N 0.268 120.655 120.400 -0.022 0.000 2.026 237 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 237 K C 2.360 178.952 176.600 -0.014 0.000 1.048 237 K CA 0.990 57.270 56.287 -0.012 0.000 0.929 237 K CB -0.126 32.372 32.500 -0.003 0.000 0.713 237 K HN 0.513 nan 8.250 nan 0.000 0.439 238 R N 0.442 120.933 120.500 -0.015 0.000 2.081 238 R HA -0.047 4.293 4.340 -0.000 0.000 0.235 238 R C 2.158 178.446 176.300 -0.019 0.000 1.131 238 R CA 2.046 58.137 56.100 -0.014 0.000 0.960 238 R CB -1.162 29.130 30.300 -0.013 0.000 0.856 238 R HN 0.387 nan 8.270 nan 0.000 0.436 239 G N 0.477 109.260 108.800 -0.029 0.000 2.418 239 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 239 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 239 G C 1.316 176.196 174.900 -0.033 0.000 1.158 239 G CA 0.823 45.902 45.100 -0.036 0.000 0.771 239 G HN 0.354 nan 8.290 nan 0.000 0.545 240 L N 0.733 121.938 121.223 -0.030 0.000 2.046 240 L HA 0.013 4.353 4.340 -0.000 0.000 0.208 240 L C 2.723 179.585 176.870 -0.014 0.000 1.077 240 L CA 1.994 56.820 54.840 -0.023 0.000 0.747 240 L CB -0.540 41.510 42.059 -0.015 0.000 0.896 240 L HN 0.382 nan 8.230 nan 0.000 0.432 241 E N -0.794 119.399 120.200 -0.011 0.000 2.051 241 E HA -0.238 4.112 4.350 -0.000 0.000 0.192 241 E C 2.143 178.738 176.600 -0.008 0.000 0.991 241 E CA 1.095 57.490 56.400 -0.007 0.000 0.799 241 E CB -0.273 29.423 29.700 -0.006 0.000 0.748 241 E HN 0.285 nan 8.360 nan 0.000 0.449 242 L N 0.734 121.950 121.223 -0.011 0.000 1.990 242 L HA -0.179 4.161 4.340 -0.000 0.000 0.213 242 L C 2.452 179.315 176.870 -0.011 0.000 1.072 242 L CA 1.412 56.245 54.840 -0.011 0.000 0.755 242 L CB -1.129 40.921 42.059 -0.015 0.000 0.889 242 L HN 0.064 nan 8.230 nan 0.000 0.432 243 V N -0.504 119.400 119.914 -0.017 0.000 2.427 243 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 243 V C 2.742 178.831 176.094 -0.008 0.000 1.051 243 V CA 1.682 63.972 62.300 -0.016 0.000 1.048 243 V CB -0.656 31.150 31.823 -0.027 0.000 0.666 243 V HN 0.459 nan 8.190 nan 0.000 0.456 244 R N 0.040 120.537 120.500 -0.005 0.000 2.083 244 R HA -0.184 4.156 4.340 -0.000 0.000 0.237 244 R C 2.304 178.604 176.300 0.000 0.000 1.137 244 R CA 1.706 57.806 56.100 -0.000 0.000 0.951 244 R CB -0.147 30.154 30.300 0.001 0.000 0.851 244 R HN 0.446 nan 8.270 nan 0.000 0.434 245 E N 0.270 120.470 120.200 -0.001 0.000 2.106 245 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 245 E C 1.849 178.450 176.600 0.001 0.000 0.984 245 E CA 1.187 57.587 56.400 0.000 0.000 0.806 245 E CB -0.226 29.474 29.700 -0.000 0.000 0.750 245 E HN 0.473 nan 8.360 nan 0.000 0.458 246 A N 1.643 124.463 122.820 0.000 0.000 1.902 246 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 246 A C 2.100 179.686 177.584 0.004 0.000 1.181 246 A CA 1.538 53.577 52.037 0.002 0.000 0.623 246 A CB -0.311 18.689 19.000 0.001 0.000 0.818 246 A HN 0.108 nan 8.150 nan 0.000 0.443 247 K N -0.881 119.521 120.400 0.004 0.000 2.057 247 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 247 K C 2.360 178.963 176.600 0.006 0.000 1.049 247 K CA 1.438 57.729 56.287 0.006 0.000 0.931 247 K CB -0.190 32.314 32.500 0.008 0.000 0.714 247 K HN 0.456 nan 8.250 nan 0.000 0.440 248 R N 0.798 121.301 120.500 0.004 0.000 2.127 248 R HA -0.117 4.223 4.340 -0.000 0.000 0.238 248 R C 1.843 178.145 176.300 0.004 0.000 1.134 248 R CA 1.400 57.502 56.100 0.004 0.000 0.975 248 R CB -0.133 30.169 30.300 0.003 0.000 0.865 248 R HN 0.165 nan 8.270 nan 0.000 0.447 249 A N -0.527 122.295 122.820 0.004 0.000 2.235 249 A HA 0.182 4.502 4.320 -0.000 0.000 0.208 249 A C 1.366 178.953 177.584 0.004 0.000 1.172 249 A CA 0.810 52.849 52.037 0.004 0.000 0.786 249 A CB -0.207 18.796 19.000 0.005 0.000 0.804 249 A HN 0.589 nan 8.150 nan 0.000 0.479 250 G N -1.902 106.901 108.800 0.005 0.000 2.157 250 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.248 250 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.248 250 G C -0.077 174.826 174.900 0.005 0.000 0.979 250 G CA 0.149 45.252 45.100 0.005 0.000 0.650 250 G HN 0.338 nan 8.290 nan 0.000 0.529 251 L N 2.003 123.229 121.223 0.006 0.000 2.456 251 L HA 0.372 4.712 4.340 -0.000 0.000 0.272 251 L C -1.000 175.876 176.870 0.010 0.000 1.189 251 L CA -1.496 53.349 54.840 0.008 0.000 0.846 251 L CB 0.281 42.345 42.059 0.009 0.000 1.111 251 L HN 0.037 nan 8.230 nan 0.000 0.475 252 P HA 0.082 nan 4.420 nan 0.000 0.220 252 P C -0.595 176.717 177.300 0.021 0.000 1.806 252 P CA 0.129 63.237 63.100 0.013 0.000 0.976 252 P CB 0.490 32.195 31.700 0.009 0.000 1.952 253 V N 2.248 122.175 119.914 0.021 0.000 2.715 253 V HA 0.707 4.827 4.120 -0.000 0.000 0.310 253 V C -0.269 175.848 176.094 0.037 0.000 1.054 253 V CA -0.259 62.057 62.300 0.025 0.000 0.928 253 V CB 2.462 34.290 31.823 0.008 0.000 1.007 253 V HN 0.460 nan 8.190 nan 0.000 0.437 254 T N 3.084 117.679 114.554 0.068 0.000 2.907 254 T HA 0.959 5.309 4.350 -0.000 0.000 0.290 254 T C -0.492 174.211 174.700 0.004 0.000 1.066 254 T CA -0.316 61.851 62.100 0.110 0.000 1.012 254 T CB 1.901 70.913 68.868 0.239 0.000 1.184 254 T HN 1.706 nan 8.240 nan 0.000 0.522 255 A N 0.968 123.779 122.820 -0.016 0.000 2.572 255 A HA 0.810 5.130 4.320 -0.000 0.000 0.295 255 A C -0.878 176.673 177.584 -0.055 0.000 1.072 255 A CA -1.041 50.881 52.037 -0.191 0.000 0.691 255 A CB 1.532 20.459 19.000 -0.120 0.000 1.291 255 A HN 1.130 nan 8.150 nan 0.000 0.404 256 E N 0.408 120.536 120.200 -0.119 0.000 2.359 256 E HA 0.836 5.186 4.350 -0.000 0.000 0.266 256 E C -0.566 176.020 176.600 -0.023 0.000 0.920 256 E CA -0.970 55.436 56.400 0.009 0.000 0.788 256 E CB 2.287 32.066 29.700 0.131 0.000 1.279 256 E HN 1.248 nan 8.360 nan 0.000 0.438 257 A N 0.968 123.775 122.820 -0.023 0.000 2.475 257 A HA 0.625 4.945 4.320 -0.000 0.000 0.301 257 A C -0.322 177.233 177.584 -0.048 0.000 1.059 257 A CA -0.532 51.490 52.037 -0.026 0.000 0.710 257 A CB 1.684 20.662 19.000 -0.036 0.000 1.288 257 A HN 0.720 nan 8.150 nan 0.000 0.408 258 T N -0.491 114.035 114.554 -0.046 0.000 2.927 258 T HA 0.581 4.931 4.350 -0.000 0.000 0.281 258 T C -2.142 172.447 174.700 -0.185 0.000 0.998 258 T CA -1.706 60.294 62.100 -0.166 0.000 1.019 258 T CB 1.278 69.879 68.868 -0.445 0.000 1.061 258 T HN 0.201 nan 8.240 nan 0.000 0.518 259 P HA -0.159 nan 4.420 nan 0.000 0.215 259 P C 1.613 179.001 177.300 0.147 0.000 1.153 259 P CA 1.285 64.367 63.100 -0.029 0.000 0.853 259 P CB -0.166 31.488 31.700 -0.077 0.000 0.788 260 H N -2.010 117.243 119.070 0.305 0.000 2.389 260 H HA -0.046 4.510 4.556 -0.000 0.000 0.299 260 H C 1.445 176.815 175.328 0.070 0.000 1.081 260 H CA 1.343 57.559 56.048 0.280 0.000 1.345 260 H CB -1.537 28.237 29.762 0.019 0.000 1.393 260 H HN 0.320 nan 8.280 nan 0.000 0.520 261 H N 0.318 119.322 119.070 -0.110 0.000 2.546 261 H HA 0.148 4.704 4.556 -0.000 0.000 0.277 261 H C 1.991 177.326 175.328 0.013 0.000 1.004 261 H CA 0.498 56.532 56.048 -0.024 0.000 1.231 261 H CB 0.378 30.075 29.762 -0.108 0.000 1.382 261 H HN 0.222 nan 8.280 nan 0.000 0.580 262 L N -0.508 120.776 121.223 0.102 0.000 2.513 262 L HA 0.042 4.382 4.340 -0.000 0.000 0.222 262 L C 1.731 178.666 176.870 0.109 0.000 1.096 262 L CA 1.027 55.907 54.840 0.067 0.000 0.857 262 L CB 0.310 42.362 42.059 -0.011 0.000 1.026 262 L HN 0.380 nan 8.230 nan 0.000 0.469 263 T N -4.085 110.586 114.554 0.195 0.000 2.954 263 T HA 0.336 4.686 4.350 -0.000 0.000 0.252 263 T C 0.482 175.387 174.700 0.342 0.000 0.983 263 T CA -0.177 62.095 62.100 0.286 0.000 0.941 263 T CB 0.255 69.352 68.868 0.381 0.000 1.141 263 T HN -0.062 nan 8.240 nan 0.000 0.500 264 L N 2.095 123.493 121.223 0.291 0.000 2.303 264 L HA 0.815 5.155 4.340 -0.000 0.000 0.266 264 L C 0.091 177.045 176.870 0.140 0.000 1.011 264 L CA -1.001 53.970 54.840 0.219 0.000 0.818 264 L CB 2.297 44.470 42.059 0.191 0.000 1.326 264 L HN 0.298 nan 8.230 nan 0.000 0.435 265 T N -4.204 110.394 114.554 0.073 0.000 2.838 265 T HA 0.237 4.587 4.350 -0.000 0.000 0.292 265 T C 0.603 175.299 174.700 -0.006 0.000 1.113 265 T CA -0.546 61.584 62.100 0.049 0.000 1.008 265 T CB 1.551 70.440 68.868 0.036 0.000 1.259 265 T HN 0.776 nan 8.240 nan 0.000 0.520 266 E N 0.314 120.515 120.200 0.001 0.000 2.219 266 E HA -0.250 4.100 4.350 -0.000 0.000 0.198 266 E C 1.321 177.864 176.600 -0.095 0.000 0.998 266 E CA 1.359 57.740 56.400 -0.032 0.000 0.818 266 E CB -0.317 29.374 29.700 -0.015 0.000 0.741 266 E HN 0.615 nan 8.360 nan 0.000 0.477 267 E N 1.043 121.187 120.200 -0.093 0.000 2.171 267 E HA -0.212 4.138 4.350 -0.000 0.000 0.197 267 E C 2.127 178.599 176.600 -0.214 0.000 0.997 267 E CA 1.289 57.614 56.400 -0.125 0.000 0.810 267 E CB -0.305 29.343 29.700 -0.087 0.000 0.738 267 E HN 0.507 nan 8.360 nan 0.000 0.467 268 A N 0.838 123.476 122.820 -0.304 0.000 2.178 268 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 268 A C 1.902 179.149 177.584 -0.563 0.000 1.157 268 A CA 0.706 52.371 52.037 -0.620 0.000 0.689 268 A CB -0.221 18.149 19.000 -1.050 0.000 0.787 268 A HN 0.113 nan 8.150 nan 0.000 0.465 269 L N -0.560 120.470 121.223 -0.322 0.000 2.591 269 L HA 0.080 4.420 4.340 -0.000 0.000 0.228 269 L C 1.845 178.484 176.870 -0.386 0.000 1.133 269 L CA 0.724 55.406 54.840 -0.264 0.000 0.880 269 L CB -1.037 40.903 42.059 -0.199 0.000 1.033 269 L HN 0.460 nan 8.230 nan 0.000 0.450 270 R N -0.685 119.620 120.500 -0.325 0.000 2.341 270 R HA -0.074 4.266 4.340 -0.000 0.000 0.213 270 R C 1.178 177.302 176.300 -0.293 0.000 1.082 270 R CA 0.979 56.883 56.100 -0.327 0.000 1.017 270 R CB -0.157 30.033 30.300 -0.183 0.000 0.860 270 R HN 0.267 nan 8.270 nan 0.000 0.473 271 T N -0.765 113.665 114.554 -0.207 0.000 3.010 271 T HA 0.138 4.488 4.350 -0.000 0.000 0.257 271 T C -0.117 174.719 174.700 0.227 0.000 1.020 271 T CA -0.220 61.905 62.100 0.041 0.000 0.938 271 T CB 0.226 69.137 68.868 0.072 0.000 1.049 271 T HN 0.185 nan 8.240 nan 0.000 0.522 272 F N 1.504 121.459 119.950 0.009 0.000 3.018 272 F HA -0.149 4.378 4.527 -0.000 0.000 0.287 272 F C 0.232 176.038 175.800 0.010 0.000 0.813 272 F CA -0.208 57.793 58.000 0.001 0.000 1.209 272 F CB -1.847 37.144 39.000 -0.015 0.000 1.321 272 F HN 0.166 nan 8.300 nan 0.000 0.477 273 D N 1.446 121.948 120.400 0.169 0.000 2.336 273 D HA 0.209 4.849 4.640 -0.000 0.000 0.249 273 D C -1.447 174.896 176.300 0.072 0.000 1.213 273 D CA -2.017 52.071 54.000 0.146 0.000 0.870 273 D CB 1.347 42.303 40.800 0.259 0.000 1.076 273 D HN -0.059 nan 8.370 nan 0.000 0.483 274 P HA -0.109 nan 4.420 nan 0.000 0.223 274 P C 1.373 178.525 177.300 -0.248 0.000 1.144 274 P CA 0.298 63.307 63.100 -0.152 0.000 0.783 274 P CB 0.295 31.879 31.700 -0.194 0.000 0.771 275 L N -2.531 118.482 121.223 -0.349 0.000 2.353 275 L HA -0.075 4.265 4.340 -0.000 0.000 0.220 275 L C 1.327 177.722 176.870 -0.793 0.000 1.133 275 L CA 1.688 56.164 54.840 -0.605 0.000 0.798 275 L CB -1.065 40.523 42.059 -0.785 0.000 0.922 275 L HN -0.026 nan 8.230 nan 0.000 0.445 276 F N -1.439 118.401 119.950 -0.183 0.000 2.639 276 F HA 0.241 4.768 4.527 0.000 0.000 0.302 276 F C 1.078 176.790 175.800 -0.147 0.000 1.097 276 F CA -0.542 57.343 58.000 -0.191 0.000 1.294 276 F CB -0.202 38.704 39.000 -0.157 0.000 1.027 276 F HN -0.182 nan 8.300 nan 0.000 0.550 277 K N 2.177 122.543 120.400 -0.057 0.000 2.285 277 K HA 0.509 4.829 4.320 -0.000 0.000 0.286 277 K C -0.969 175.644 176.600 0.021 0.000 1.072 277 K CA -0.100 56.152 56.287 -0.057 0.000 0.913 277 K CB 0.935 33.293 32.500 -0.236 0.000 1.067 277 K HN 0.058 nan 8.250 nan 0.000 0.479 278 V N 2.454 122.483 119.914 0.192 0.000 3.188 278 V HA 0.801 4.921 4.120 -0.000 0.000 0.305 278 V C -1.842 174.427 176.094 0.291 0.000 1.232 278 V CA -0.600 61.825 62.300 0.209 0.000 1.043 278 V CB 2.312 34.073 31.823 -0.104 0.000 1.068 278 V HN 0.866 nan 8.190 nan 0.000 0.439 279 A N 5.209 128.105 122.820 0.127 0.000 2.335 279 A HA 0.927 5.247 4.320 -0.000 0.000 0.304 279 A C -2.949 174.537 177.584 -0.164 0.000 1.118 279 A CA -1.650 50.364 52.037 -0.038 0.000 0.757 279 A CB 1.660 20.502 19.000 -0.263 0.000 1.188 279 A HN 0.617 nan 8.150 nan 0.000 0.460 280 P HA 0.336 nan 4.420 nan 0.000 0.274 280 P C -2.766 174.609 177.300 0.124 0.000 1.246 280 P CA -1.313 61.707 63.100 -0.134 0.000 0.795 280 P CB -0.096 31.451 31.700 -0.255 0.000 1.006 281 P HA 0.091 nan 4.420 nan 0.000 0.270 281 P C -0.070 177.398 177.300 0.279 0.000 1.227 281 P CA 0.142 63.359 63.100 0.196 0.000 0.788 281 P CB 0.242 32.024 31.700 0.136 0.000 0.926 282 L N 1.842 123.192 121.223 0.212 0.000 2.416 282 L HA 0.158 4.498 4.340 -0.000 0.000 0.272 282 L C 1.432 178.397 176.870 0.158 0.000 1.161 282 L CA -0.087 54.884 54.840 0.219 0.000 0.845 282 L CB 0.069 42.199 42.059 0.118 0.000 1.119 282 L HN 0.369 nan 8.230 nan 0.000 0.464 283 R N 1.837 122.433 120.500 0.160 0.000 2.748 283 R HA 0.541 4.881 4.340 -0.000 0.000 0.220 283 R C 0.117 176.451 176.300 0.057 0.000 1.404 283 R CA -0.622 55.526 56.100 0.081 0.000 1.039 283 R CB -0.034 30.297 30.300 0.053 0.000 1.904 283 R HN 0.674 nan 8.270 nan 0.000 0.529 284 G N -0.091 108.731 108.800 0.036 0.000 2.504 284 G HA2 0.100 4.060 3.960 -0.000 0.000 0.288 284 G HA3 0.100 4.060 3.960 -0.000 0.000 0.288 284 G C 0.602 175.521 174.900 0.033 0.000 1.182 284 G CA -0.175 44.941 45.100 0.026 0.000 0.894 284 G HN 0.510 nan 8.290 nan 0.000 0.521 285 E N -0.237 119.979 120.200 0.027 0.000 2.160 285 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 285 E C 2.082 178.699 176.600 0.029 0.000 0.991 285 E CA 1.954 58.373 56.400 0.031 0.000 0.810 285 E CB -0.087 29.627 29.700 0.023 0.000 0.742 285 E HN 0.724 nan 8.360 nan 0.000 0.466 286 E N -0.230 119.983 120.200 0.021 0.000 2.077 286 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 286 E C 1.343 177.954 176.600 0.019 0.000 0.989 286 E CA 1.478 57.888 56.400 0.018 0.000 0.800 286 E CB -0.056 29.651 29.700 0.012 0.000 0.746 286 E HN 0.346 nan 8.360 nan 0.000 0.452 287 D N 0.134 120.546 120.400 0.020 0.000 2.097 287 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 287 D C 2.100 178.416 176.300 0.028 0.000 0.984 287 D CA 0.790 54.800 54.000 0.017 0.000 0.826 287 D CB -0.286 40.522 40.800 0.013 0.000 0.973 287 D HN 0.164 nan 8.370 nan 0.000 0.460 288 R N 0.887 121.414 120.500 0.045 0.000 2.091 288 R HA -0.194 4.146 4.340 -0.000 0.000 0.238 288 R C 2.082 178.411 176.300 0.048 0.000 1.136 288 R CA 1.506 57.642 56.100 0.059 0.000 0.959 288 R CB -0.000 30.345 30.300 0.076 0.000 0.856 288 R HN -0.049 nan 8.270 nan 0.000 0.437 289 E N 0.104 120.329 120.200 0.042 0.000 2.077 289 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 289 E C 1.665 178.289 176.600 0.040 0.000 0.989 289 E CA 1.609 58.034 56.400 0.041 0.000 0.800 289 E CB -0.177 29.543 29.700 0.033 0.000 0.746 289 E HN 0.458 nan 8.360 nan 0.000 0.452 290 A N 0.283 123.121 122.820 0.030 0.000 1.933 290 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 290 A C 2.252 179.854 177.584 0.030 0.000 1.175 290 A CA 1.265 53.318 52.037 0.025 0.000 0.628 290 A CB -0.657 18.351 19.000 0.014 0.000 0.814 290 A HN 0.320 nan 8.150 nan 0.000 0.444 291 L N -0.541 120.699 121.223 0.028 0.000 2.046 291 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 291 L C 2.547 179.449 176.870 0.052 0.000 1.077 291 L CA 1.092 55.948 54.840 0.027 0.000 0.747 291 L CB -0.648 41.422 42.059 0.018 0.000 0.896 291 L HN 0.387 nan 8.230 nan 0.000 0.432 292 L N -0.347 120.915 121.223 0.065 0.000 2.042 292 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 292 L C 2.621 179.594 176.870 0.172 0.000 1.076 292 L CA 1.221 56.132 54.840 0.118 0.000 0.749 292 L CB -0.527 41.599 42.059 0.113 0.000 0.893 292 L HN 0.276 nan 8.230 nan 0.000 0.432 293 E N 0.725 120.988 120.200 0.105 0.000 2.150 293 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 293 E C 2.098 178.744 176.600 0.077 0.000 0.985 293 E CA 1.305 57.754 56.400 0.081 0.000 0.814 293 E CB -0.327 29.401 29.700 0.046 0.000 0.752 293 E HN 0.326 nan 8.360 nan 0.000 0.466 294 G N 0.493 109.334 108.800 0.069 0.000 2.422 294 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 294 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 294 G C 1.568 176.519 174.900 0.085 0.000 1.140 294 G CA 0.739 45.872 45.100 0.056 0.000 0.775 294 G HN 0.297 nan 8.290 nan 0.000 0.545 295 L N -0.293 121.013 121.223 0.138 0.000 2.046 295 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 295 L C 2.891 179.914 176.870 0.255 0.000 1.077 295 L CA 0.564 55.533 54.840 0.214 0.000 0.747 295 L CB -0.374 41.849 42.059 0.274 0.000 0.896 295 L HN 0.193 nan 8.230 nan 0.000 0.432 296 L N 0.206 121.554 121.223 0.208 0.000 2.005 296 L HA -0.215 4.125 4.340 -0.000 0.000 0.207 296 L C 2.149 179.023 176.870 0.005 0.000 1.072 296 L CA 1.552 56.403 54.840 0.018 0.000 0.744 296 L CB -0.620 41.401 42.059 -0.063 0.000 0.895 296 L HN 0.434 nan 8.230 nan 0.000 0.433 297 D N -0.691 119.723 120.400 0.023 0.000 2.378 297 D HA -0.021 4.619 4.640 -0.000 0.000 0.227 297 D C 1.434 177.747 176.300 0.022 0.000 1.012 297 D CA 0.877 54.884 54.000 0.012 0.000 0.905 297 D CB 0.002 40.808 40.800 0.011 0.000 0.895 297 D HN 0.353 nan 8.370 nan 0.000 0.532 298 G N -0.976 107.848 108.800 0.040 0.000 2.175 298 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.244 298 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.244 298 G C 1.230 176.152 174.900 0.037 0.000 0.982 298 G CA 0.597 45.722 45.100 0.042 0.000 0.641 298 G HN 0.359 nan 8.290 nan 0.000 0.527 299 T N 0.479 115.052 114.554 0.031 0.000 2.788 299 T HA 0.089 4.439 4.350 -0.000 0.000 0.268 299 T C 1.274 175.986 174.700 0.021 0.000 1.044 299 T CA 1.088 63.200 62.100 0.021 0.000 1.139 299 T CB 0.021 68.898 68.868 0.015 0.000 0.867 299 T HN 0.372 nan 8.240 nan 0.000 0.454 300 L N 2.024 123.266 121.223 0.031 0.000 2.276 300 L HA 0.250 4.590 4.340 -0.000 0.000 0.286 300 L C 0.849 177.745 176.870 0.043 0.000 1.061 300 L CA -0.416 54.439 54.840 0.026 0.000 0.807 300 L CB 1.143 43.216 42.059 0.022 0.000 1.177 300 L HN 0.073 nan 8.230 nan 0.000 0.429 301 D N 2.453 122.883 120.400 0.049 0.000 2.271 301 D HA 0.159 4.799 4.640 -0.000 0.000 0.206 301 D C 0.436 176.765 176.300 0.048 0.000 0.967 301 D CA 0.574 54.610 54.000 0.059 0.000 0.867 301 D CB 0.948 41.794 40.800 0.077 0.000 0.960 301 D HN 0.577 nan 8.370 nan 0.000 0.509 302 A N 0.144 122.985 122.820 0.035 0.000 2.599 302 A HA 0.599 4.919 4.320 -0.000 0.000 0.290 302 A C -1.575 175.957 177.584 -0.086 0.000 1.101 302 A CA -0.621 51.403 52.037 -0.023 0.000 0.674 302 A CB 1.115 20.110 19.000 -0.008 0.000 1.277 302 A HN -0.004 nan 8.150 nan 0.000 0.419 303 I N 1.078 121.503 120.570 -0.242 0.000 2.339 303 I HA 0.583 4.753 4.170 -0.000 0.000 0.290 303 I C 0.365 176.298 176.117 -0.307 0.000 0.994 303 I CA -0.203 60.892 61.300 -0.342 0.000 1.191 303 I CB 1.710 39.314 38.000 -0.659 0.000 1.343 303 I HN 0.793 nan 8.210 nan 0.000 0.458 304 A N 3.640 126.379 122.820 -0.134 0.000 2.355 304 A HA 0.530 4.850 4.320 -0.000 0.000 0.317 304 A C 0.779 178.347 177.584 -0.027 0.000 1.094 304 A CA -0.325 51.689 52.037 -0.039 0.000 0.764 304 A CB 1.211 20.262 19.000 0.085 0.000 1.230 304 A HN 0.806 nan 8.150 nan 0.000 0.448 305 T N -0.940 113.612 114.554 -0.003 0.000 2.737 305 T HA -0.071 4.279 4.350 -0.000 0.000 0.265 305 T C 0.707 175.453 174.700 0.077 0.000 1.038 305 T CA 1.608 63.740 62.100 0.054 0.000 1.144 305 T CB -0.408 68.500 68.868 0.067 0.000 0.866 305 T HN 1.170 nan 8.240 nan 0.000 0.434 306 D N 0.997 121.357 120.400 -0.066 0.000 2.800 306 D HA -0.222 4.418 4.640 -0.000 0.000 0.232 306 D C -0.232 176.149 176.300 0.135 0.000 1.137 306 D CA 0.512 54.360 54.000 -0.253 0.000 0.718 306 D CB -2.486 38.207 40.800 -0.179 0.000 1.084 306 D HN 0.818 nan 8.370 nan 0.000 0.432 307 H N 0.126 119.236 119.070 0.066 0.000 3.226 307 H HA 0.309 4.865 4.556 -0.000 0.000 0.260 307 H C -0.403 175.009 175.328 0.140 0.000 0.967 307 H CA 1.320 57.407 56.048 0.065 0.000 1.435 307 H CB -0.120 29.635 29.762 -0.011 0.000 1.533 307 H HN 0.308 nan 8.280 nan 0.000 0.525 308 A N 8.954 131.675 122.820 -0.165 0.000 2.842 308 A HA 0.323 4.643 4.320 -0.000 0.000 0.339 308 A C -2.632 174.713 177.584 -0.398 0.000 1.177 308 A CA -1.499 50.422 52.037 -0.193 0.000 0.797 308 A CB 0.612 19.536 19.000 -0.127 0.000 1.094 308 A HN 0.528 nan 8.150 nan 0.000 0.474 309 P HA 0.460 nan 4.420 nan 0.000 0.281 309 P C -0.893 176.121 177.300 -0.477 0.000 1.249 309 P CA 0.255 63.128 63.100 -0.377 0.000 0.810 309 P CB 1.403 32.940 31.700 -0.270 0.000 1.008 310 H N -1.204 117.948 119.070 0.136 0.000 2.942 310 H HA 0.311 4.867 4.556 -0.000 0.000 0.316 310 H C -0.019 175.440 175.328 0.217 0.000 1.323 310 H CA -0.306 55.821 56.048 0.131 0.000 1.144 310 H CB 1.402 31.209 29.762 0.075 0.000 1.866 310 H HN 0.379 nan 8.280 nan 0.000 0.545 311 T N -0.799 113.919 114.554 0.275 0.000 2.913 311 T HA 0.158 4.508 4.350 -0.000 0.000 0.287 311 T C 1.364 176.160 174.700 0.160 0.000 1.008 311 T CA -0.695 61.532 62.100 0.213 0.000 1.067 311 T CB 1.005 69.943 68.868 0.117 0.000 0.996 311 T HN 0.350 nan 8.240 nan 0.000 0.513 312 L N 2.423 123.750 121.223 0.174 0.000 2.042 312 L HA 0.055 4.395 4.340 -0.000 0.000 0.210 312 L C 2.723 179.541 176.870 -0.087 0.000 1.076 312 L CA 2.443 57.288 54.840 0.010 0.000 0.749 312 L CB -1.526 40.599 42.059 0.111 0.000 0.893 312 L HN 0.949 nan 8.230 nan 0.000 0.432 313 A N -0.665 122.141 122.820 -0.024 0.000 1.908 313 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 313 A C 2.144 179.682 177.584 -0.077 0.000 1.181 313 A CA 1.993 54.005 52.037 -0.042 0.000 0.627 313 A CB -0.691 18.301 19.000 -0.013 0.000 0.818 313 A HN 0.648 nan 8.150 nan 0.000 0.445 314 E N -0.419 119.737 120.200 -0.073 0.000 2.077 314 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 314 E C 1.477 177.966 176.600 -0.185 0.000 0.989 314 E CA 0.985 57.318 56.400 -0.112 0.000 0.800 314 E CB -0.093 29.553 29.700 -0.090 0.000 0.746 314 E HN 0.272 nan 8.360 nan 0.000 0.452 315 K N 0.845 121.094 120.400 -0.251 0.000 2.555 315 K HA -0.034 4.286 4.320 -0.000 0.000 0.193 315 K C 0.863 177.297 176.600 -0.276 0.000 1.032 315 K CA 0.568 56.642 56.287 -0.356 0.000 1.004 315 K CB 0.176 32.264 32.500 -0.686 0.000 0.804 315 K HN 0.243 nan 8.250 nan 0.000 0.496 316 E N 0.100 120.184 120.200 -0.194 0.000 2.498 316 E HA 0.046 4.396 4.350 -0.000 0.000 0.203 316 E C -0.188 176.347 176.600 -0.108 0.000 1.013 316 E CA -0.052 56.266 56.400 -0.137 0.000 0.927 316 E CB 0.595 30.233 29.700 -0.103 0.000 1.012 316 E HN 0.155 nan 8.360 nan 0.000 0.482 317 K N 1.232 121.560 120.400 -0.120 0.000 2.140 317 K HA 0.090 4.410 4.320 -0.000 0.000 0.237 317 K C 0.042 176.583 176.600 -0.098 0.000 1.045 317 K CA -0.432 55.794 56.287 -0.102 0.000 0.896 317 K CB 0.404 32.837 32.500 -0.112 0.000 1.122 317 K HN -0.057 nan 8.250 nan 0.000 0.503 318 D N 1.234 121.582 120.400 -0.086 0.000 2.423 318 D HA -0.080 4.560 4.640 -0.000 0.000 0.238 318 D C 1.218 177.467 176.300 -0.086 0.000 1.142 318 D CA 0.021 53.974 54.000 -0.078 0.000 0.884 318 D CB 0.779 41.533 40.800 -0.076 0.000 1.199 318 D HN 0.280 nan 8.370 nan 0.000 0.438 319 L N 2.626 123.819 121.223 -0.051 0.000 2.021 319 L HA -0.245 4.095 4.340 -0.000 0.000 0.215 319 L C 2.089 178.893 176.870 -0.110 0.000 1.074 319 L CA 1.749 56.557 54.840 -0.052 0.000 0.760 319 L CB -0.415 41.686 42.059 0.070 0.000 0.889 319 L HN 0.475 nan 8.230 nan 0.000 0.433 320 L N -1.306 119.871 121.223 -0.076 0.000 2.275 320 L HA -0.143 4.197 4.340 -0.000 0.000 0.215 320 L C 2.502 179.302 176.870 -0.117 0.000 1.119 320 L CA 0.983 55.772 54.840 -0.086 0.000 0.790 320 L CB -0.395 41.637 42.059 -0.044 0.000 0.919 320 L HN 0.285 nan 8.230 nan 0.000 0.443 321 R N -0.272 120.156 120.500 -0.120 0.000 2.237 321 R HA 0.242 4.582 4.340 -0.000 0.000 0.195 321 R C 0.910 177.109 176.300 -0.168 0.000 0.956 321 R CA 0.156 56.184 56.100 -0.120 0.000 1.029 321 R CB 0.222 30.468 30.300 -0.090 0.000 0.972 321 R HN 0.161 nan 8.270 nan 0.000 0.493 322 A N 3.453 126.148 122.820 -0.209 0.000 2.445 322 A HA 0.224 4.544 4.320 -0.000 0.000 0.242 322 A C -2.072 175.297 177.584 -0.360 0.000 1.075 322 A CA -1.039 50.841 52.037 -0.262 0.000 0.777 322 A CB -0.157 18.689 19.000 -0.255 0.000 1.013 322 A HN -0.021 nan 8.150 nan 0.000 0.493 323 P HA 0.275 nan 4.420 nan 0.000 0.274 323 P C -0.842 176.226 177.300 -0.387 0.000 1.237 323 P CA -0.069 62.760 63.100 -0.452 0.000 0.793 323 P CB 0.408 31.590 31.700 -0.862 0.000 0.977 324 F N 0.457 120.312 119.950 -0.159 0.000 2.399 324 F HA 0.577 5.104 4.527 -0.000 0.000 0.342 324 F C 1.407 177.234 175.800 0.046 0.000 1.106 324 F CA 1.123 59.091 58.000 -0.053 0.000 1.196 324 F CB 0.930 39.923 39.000 -0.011 0.000 1.163 324 F HN 0.600 nan 8.300 nan 0.000 0.547 325 G N 2.782 111.691 108.800 0.182 0.000 2.306 325 G HA2 0.376 4.336 3.960 -0.000 0.000 0.340 325 G HA3 0.376 4.336 3.960 -0.000 0.000 0.340 325 G C -2.187 172.694 174.900 -0.031 0.000 1.630 325 G CA -1.036 44.129 45.100 0.108 0.000 0.937 325 G HN 0.393 nan 8.290 nan 0.000 0.693 326 I N 2.992 123.463 120.570 -0.165 0.000 2.533 326 I HA 0.603 4.773 4.170 -0.000 0.000 0.290 326 I C -2.198 173.804 176.117 -0.191 0.000 1.056 326 I CA -2.256 58.901 61.300 -0.239 0.000 1.057 326 I CB 2.893 40.579 38.000 -0.523 0.000 1.240 326 I HN 0.333 nan 8.210 nan 0.000 0.423 327 P HA 0.417 nan 4.420 nan 0.000 0.290 327 P C -0.309 177.007 177.300 0.028 0.000 1.275 327 P CA -0.471 62.403 63.100 -0.377 0.000 0.841 327 P CB 1.829 33.227 31.700 -0.504 0.000 1.042 328 S N 0.138 115.987 115.700 0.249 0.000 2.631 328 S HA 0.006 4.476 4.470 -0.000 0.000 0.248 328 S C 1.245 175.926 174.600 0.136 0.000 0.949 328 S CA -0.264 58.073 58.200 0.229 0.000 1.470 328 S CB -0.793 62.597 63.200 0.318 0.000 1.248 328 S HN 0.090 nan 8.310 nan 0.000 0.662 329 L N 3.009 124.331 121.223 0.164 0.000 2.010 329 L HA -0.055 4.285 4.340 -0.000 0.000 0.219 329 L C 2.348 179.259 176.870 0.068 0.000 1.077 329 L CA 2.339 57.150 54.840 -0.049 0.000 0.773 329 L CB -1.184 40.625 42.059 -0.417 0.000 0.892 329 L HN 0.530 nan 8.230 nan 0.000 0.436 330 E N -1.559 118.610 120.200 -0.052 0.000 2.347 330 E HA -0.099 4.251 4.350 -0.000 0.000 0.196 330 E C 1.802 178.432 176.600 0.050 0.000 1.008 330 E CA 1.059 57.469 56.400 0.016 0.000 0.852 330 E CB 0.077 29.746 29.700 -0.052 0.000 0.783 330 E HN 0.556 nan 8.360 nan 0.000 0.505 331 V N -3.727 116.152 119.914 -0.059 0.000 3.645 331 V HA 0.370 4.490 4.120 -0.000 0.000 0.275 331 V C 2.030 177.944 176.094 -0.300 0.000 1.356 331 V CA 0.467 62.624 62.300 -0.238 0.000 1.051 331 V CB 0.374 32.088 31.823 -0.182 0.000 0.828 331 V HN 0.111 nan 8.190 nan 0.000 0.441 332 A N 1.299 124.057 122.820 -0.103 0.000 1.881 332 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 332 A C 2.019 179.611 177.584 0.013 0.000 1.215 332 A CA 2.689 54.725 52.037 -0.002 0.000 0.648 332 A CB -1.103 18.082 19.000 0.309 0.000 0.832 332 A HN 0.720 nan 8.150 nan 0.000 0.455 333 F N 1.488 121.348 119.950 -0.151 0.000 2.084 333 F HA -0.033 4.494 4.527 0.000 0.000 0.296 333 F C -0.333 175.265 175.800 -0.337 0.000 1.111 333 F CA 1.807 59.526 58.000 -0.469 0.000 1.224 333 F CB -0.795 37.801 39.000 -0.674 0.000 0.991 333 F HN 0.181 nan 8.300 nan 0.000 0.471 334 P HA -0.218 nan 4.420 nan 0.000 0.216 334 P C 2.361 179.412 177.300 -0.416 0.000 1.150 334 P CA 1.527 64.317 63.100 -0.516 0.000 0.837 334 P CB -0.283 30.726 31.700 -1.152 0.000 0.786 335 L N -0.573 120.378 121.223 -0.454 0.000 1.989 335 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 335 L C 2.581 179.295 176.870 -0.260 0.000 1.071 335 L CA 1.827 56.440 54.840 -0.379 0.000 0.749 335 L CB -0.764 40.907 42.059 -0.647 0.000 0.890 335 L HN -0.068 nan 8.230 nan 0.000 0.431 336 L N -1.598 119.444 121.223 -0.303 0.000 2.217 336 L HA -0.235 4.105 4.340 -0.000 0.000 0.211 336 L C 2.484 179.180 176.870 -0.291 0.000 1.107 336 L CA 0.828 55.511 54.840 -0.262 0.000 0.783 336 L CB -0.669 41.267 42.059 -0.204 0.000 0.919 336 L HN 0.325 nan 8.230 nan 0.000 0.442 337 Y N 0.873 120.832 120.300 -0.568 0.000 2.242 337 Y HA -0.233 4.317 4.550 0.000 0.000 0.291 337 Y C 2.493 178.315 175.900 -0.130 0.000 1.137 337 Y CA 2.015 59.851 58.100 -0.440 0.000 1.181 337 Y CB -0.194 37.911 38.460 -0.592 0.000 0.989 337 Y HN 0.010 nan 8.280 nan 0.000 0.527 338 T N 0.153 114.687 114.554 -0.033 0.000 2.770 338 T HA -0.091 4.259 4.350 -0.000 0.000 0.258 338 T C 1.574 176.238 174.700 -0.061 0.000 1.039 338 T CA 1.384 63.474 62.100 -0.017 0.000 1.143 338 T CB -0.106 68.811 68.868 0.081 0.000 0.866 338 T HN 0.267 nan 8.240 nan 0.000 0.428 339 E N 0.633 120.811 120.200 -0.036 0.000 2.152 339 E HA 0.043 4.393 4.350 -0.000 0.000 0.192 339 E C 1.931 178.502 176.600 -0.049 0.000 0.983 339 E CA 0.679 57.074 56.400 -0.009 0.000 0.818 339 E CB -0.090 29.652 29.700 0.069 0.000 0.758 339 E HN 0.288 nan 8.360 nan 0.000 0.467 340 L N -0.445 120.716 121.223 -0.103 0.000 2.265 340 L HA 0.018 4.358 4.340 -0.000 0.000 0.195 340 L C 2.387 179.251 176.870 -0.009 0.000 1.083 340 L CA 1.167 55.949 54.840 -0.097 0.000 0.798 340 L CB -1.121 40.753 42.059 -0.308 0.000 0.989 340 L HN 0.212 nan 8.230 nan 0.000 0.472 341 H N -0.164 118.805 119.070 -0.168 0.000 2.284 341 H HA -0.043 4.513 4.556 0.000 0.000 0.304 341 H C 2.174 177.368 175.328 -0.223 0.000 1.069 341 H CA 1.817 57.761 56.048 -0.173 0.000 1.327 341 H CB 0.201 29.747 29.762 -0.361 0.000 1.387 341 H HN 0.132 nan 8.280 nan 0.000 0.498 342 L N 0.352 121.271 121.223 -0.507 0.000 2.027 342 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 342 L C 2.728 179.447 176.870 -0.252 0.000 1.074 342 L CA 1.443 56.024 54.840 -0.432 0.000 0.745 342 L CB -0.250 41.648 42.059 -0.268 0.000 0.898 342 L HN 0.221 nan 8.230 nan 0.000 0.433 343 K N -0.443 119.862 120.400 -0.159 0.000 2.211 343 K HA 0.015 4.335 4.320 -0.000 0.000 0.201 343 K C 1.834 178.388 176.600 -0.077 0.000 1.052 343 K CA 0.663 56.892 56.287 -0.095 0.000 0.973 343 K CB 0.198 32.661 32.500 -0.061 0.000 0.766 343 K HN 0.146 nan 8.250 nan 0.000 0.466 344 R N -0.549 119.914 120.500 -0.062 0.000 2.472 344 R HA 0.115 4.455 4.340 -0.000 0.000 0.279 344 R C 0.419 176.710 176.300 -0.014 0.000 0.953 344 R CA 0.395 56.486 56.100 -0.014 0.000 1.088 344 R CB 1.138 31.463 30.300 0.042 0.000 1.197 344 R HN 0.313 nan 8.270 nan 0.000 0.536 345 G N 1.542 110.288 108.800 -0.090 0.000 2.166 345 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.260 345 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.260 345 G C 0.044 174.940 174.900 -0.007 0.000 0.986 345 G CA 0.049 45.084 45.100 -0.108 0.000 0.683 345 G HN 0.371 nan 8.290 nan 0.000 0.527 346 F N 1.916 121.827 119.950 -0.065 0.000 2.608 346 F HA 0.441 4.968 4.527 -0.000 0.000 0.380 346 F C -1.367 174.494 175.800 0.102 0.000 1.083 346 F CA -1.508 56.499 58.000 0.011 0.000 1.266 346 F CB 0.611 39.618 39.000 0.012 0.000 1.076 346 F HN -0.013 nan 8.300 nan 0.000 0.574 347 P HA -0.047 nan 4.420 nan 0.000 0.263 347 P C 0.987 178.378 177.300 0.151 0.000 1.195 347 P CA 0.308 63.397 63.100 -0.019 0.000 0.762 347 P CB 0.567 32.145 31.700 -0.203 0.000 0.799 348 L N 3.649 124.897 121.223 0.041 0.000 2.017 348 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 348 L C 2.390 179.257 176.870 -0.005 0.000 1.073 348 L CA 1.907 56.645 54.840 -0.170 0.000 0.745 348 L CB -0.382 41.371 42.059 -0.509 0.000 0.894 348 L HN 0.509 nan 8.230 nan 0.000 0.432 349 Q N -0.702 119.098 119.800 -0.001 0.000 2.170 349 Q HA -0.288 4.052 4.340 -0.000 0.000 0.203 349 Q C 2.097 178.164 176.000 0.112 0.000 0.976 349 Q CA 1.509 57.339 55.803 0.046 0.000 0.858 349 Q CB -0.415 28.332 28.738 0.016 0.000 0.907 349 Q HN 0.223 nan 8.270 nan 0.000 0.433 350 R N 0.859 121.431 120.500 0.122 0.000 2.090 350 R HA -0.045 4.295 4.340 -0.000 0.000 0.228 350 R C 2.008 178.523 176.300 0.359 0.000 1.110 350 R CA 0.984 57.197 56.100 0.187 0.000 0.973 350 R CB -0.647 29.692 30.300 0.066 0.000 0.869 350 R HN 0.415 nan 8.270 nan 0.000 0.440 351 L N -0.225 121.262 121.223 0.440 0.000 2.056 351 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 351 L C 1.952 179.060 176.870 0.397 0.000 1.078 351 L CA 1.547 56.618 54.840 0.385 0.000 0.749 351 L CB -0.501 41.700 42.059 0.237 0.000 0.901 351 L HN 0.053 nan 8.230 nan 0.000 0.433 352 V N -0.096 120.018 119.914 0.332 0.000 2.407 352 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 352 V C 2.573 178.841 176.094 0.290 0.000 1.055 352 V CA 1.896 64.387 62.300 0.319 0.000 1.049 352 V CB -0.653 31.335 31.823 0.275 0.000 0.662 352 V HN 0.637 nan 8.190 nan 0.000 0.455 353 E N 0.221 120.566 120.200 0.242 0.000 2.085 353 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 353 E C 2.110 178.822 176.600 0.186 0.000 0.994 353 E CA 1.381 57.901 56.400 0.199 0.000 0.801 353 E CB -0.197 29.599 29.700 0.161 0.000 0.743 353 E HN 0.585 nan 8.360 nan 0.000 0.453 354 L N -0.264 121.083 121.223 0.207 0.000 2.362 354 L HA -0.097 4.243 4.340 -0.000 0.000 0.219 354 L C 1.419 178.288 176.870 -0.001 0.000 1.134 354 L CA 0.594 55.496 54.840 0.104 0.000 0.807 354 L CB -0.049 42.060 42.059 0.084 0.000 0.927 354 L HN 0.188 nan 8.230 nan 0.000 0.447 355 F N -1.821 118.115 119.950 -0.024 0.000 2.720 355 F HA 0.024 4.550 4.527 -0.000 0.000 0.301 355 F C 2.021 177.839 175.800 0.029 0.000 1.103 355 F CA 0.652 58.580 58.000 -0.121 0.000 1.291 355 F CB 0.158 38.784 39.000 -0.623 0.000 1.086 355 F HN 0.068 nan 8.300 nan 0.000 0.592 356 T N -3.277 111.422 114.554 0.242 0.000 3.257 356 T HA 0.103 4.453 4.350 -0.000 0.000 0.176 356 T C 1.415 176.178 174.700 0.106 0.000 0.892 356 T CA 0.517 62.733 62.100 0.194 0.000 1.147 356 T CB -0.660 68.336 68.868 0.213 0.000 1.840 356 T HN -0.178 nan 8.240 nan 0.000 0.375 357 D N 1.715 122.177 120.400 0.103 0.000 2.133 357 D HA 0.017 4.657 4.640 -0.000 0.000 0.192 357 D C 2.245 178.572 176.300 0.044 0.000 1.001 357 D CA 1.978 56.014 54.000 0.062 0.000 0.844 357 D CB -1.057 39.810 40.800 0.111 0.000 0.944 357 D HN 0.624 nan 8.370 nan 0.000 0.447 358 G N 1.084 109.921 108.800 0.061 0.000 2.586 358 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 358 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 358 G C -0.715 174.189 174.900 0.007 0.000 1.216 358 G CA 1.101 46.224 45.100 0.039 0.000 0.786 358 G HN 0.307 nan 8.290 nan 0.000 0.583 359 P HA -0.075 nan 4.420 nan 0.000 0.215 359 P C 1.989 179.250 177.300 -0.065 0.000 1.153 359 P CA 1.203 64.281 63.100 -0.036 0.000 0.853 359 P CB -0.083 31.616 31.700 -0.001 0.000 0.788 360 R N -0.595 119.879 120.500 -0.044 0.000 2.096 360 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 360 R C 2.439 178.695 176.300 -0.074 0.000 1.127 360 R CA 1.239 57.295 56.100 -0.074 0.000 0.968 360 R CB -0.450 29.813 30.300 -0.060 0.000 0.861 360 R HN 0.203 nan 8.270 nan 0.000 0.440 361 R N 0.169 120.641 120.500 -0.047 0.000 2.115 361 R HA -0.053 4.287 4.340 -0.000 0.000 0.230 361 R C 2.271 178.539 176.300 -0.053 0.000 1.111 361 R CA 0.938 57.016 56.100 -0.038 0.000 0.976 361 R CB -0.216 30.078 30.300 -0.010 0.000 0.870 361 R HN 0.045 nan 8.270 nan 0.000 0.445 362 V N 1.424 121.293 119.914 -0.075 0.000 2.392 362 V HA -0.232 3.888 4.120 -0.000 0.000 0.249 362 V C 2.074 178.083 176.094 -0.142 0.000 1.059 362 V CA 1.636 63.863 62.300 -0.122 0.000 1.051 362 V CB -0.307 31.374 31.823 -0.236 0.000 0.658 362 V HN 0.334 nan 8.190 nan 0.000 0.455 363 L N -0.154 120.984 121.223 -0.142 0.000 2.492 363 L HA 0.249 4.589 4.340 -0.000 0.000 0.223 363 L C 1.732 178.547 176.870 -0.093 0.000 1.132 363 L CA 0.896 55.656 54.840 -0.133 0.000 0.850 363 L CB -0.440 41.522 42.059 -0.162 0.000 0.966 363 L HN 0.574 nan 8.230 nan 0.000 0.454 364 G N 0.584 109.338 108.800 -0.076 0.000 2.132 364 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.234 364 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.234 364 G C 0.082 174.949 174.900 -0.055 0.000 0.989 364 G CA -0.262 44.805 45.100 -0.054 0.000 0.676 364 G HN 0.196 nan 8.290 nan 0.000 0.522 365 L N 1.701 122.880 121.223 -0.073 0.000 2.379 365 L HA 0.493 4.833 4.340 -0.000 0.000 0.269 365 L C -1.213 175.620 176.870 -0.063 0.000 1.084 365 L CA -2.202 52.594 54.840 -0.073 0.000 0.802 365 L CB 1.031 43.024 42.059 -0.109 0.000 1.175 365 L HN -0.012 nan 8.230 nan 0.000 0.448 366 P HA 0.177 nan 4.420 nan 0.000 0.275 366 P C -2.625 174.616 177.300 -0.097 0.000 1.228 366 P CA -1.233 61.830 63.100 -0.062 0.000 0.786 366 P CB 0.086 31.757 31.700 -0.048 0.000 0.927 367 P HA 0.217 nan 4.420 nan 0.000 0.274 367 P C -0.658 176.432 177.300 -0.349 0.000 1.231 367 P CA -0.150 62.797 63.100 -0.254 0.000 0.790 367 P CB 0.951 32.451 31.700 -0.334 0.000 0.951 368 L N 3.157 124.192 121.223 -0.313 0.000 2.294 368 L HA 0.346 4.686 4.340 -0.000 0.000 0.283 368 L C -0.156 176.600 176.870 -0.189 0.000 1.015 368 L CA -0.636 54.082 54.840 -0.203 0.000 0.831 368 L CB 0.478 42.492 42.059 -0.074 0.000 1.217 368 L HN 0.471 nan 8.230 nan 0.000 0.420 369 H N 4.993 124.076 119.070 0.021 0.000 2.616 369 H HA 0.367 4.923 4.556 -0.000 0.000 0.353 369 H C -0.405 174.933 175.328 0.016 0.000 1.170 369 H CA -0.770 55.291 56.048 0.023 0.000 1.212 369 H CB 2.293 32.068 29.762 0.022 0.000 1.653 369 H HN 0.516 nan 8.280 nan 0.000 0.537 370 L N 2.811 124.133 121.223 0.166 0.000 2.404 370 L HA 0.166 4.506 4.340 -0.000 0.000 0.277 370 L C 0.371 177.281 176.870 0.067 0.000 1.184 370 L CA 0.089 54.979 54.840 0.083 0.000 1.013 370 L CB -0.551 41.545 42.059 0.063 0.000 1.318 370 L HN 0.605 nan 8.230 nan 0.000 0.435 371 E N 1.758 121.997 120.200 0.064 0.000 2.390 371 E HA 0.373 4.723 4.350 -0.000 0.000 0.277 371 E C -1.204 175.415 176.600 0.033 0.000 0.939 371 E CA -1.033 55.395 56.400 0.047 0.000 0.769 371 E CB 1.453 31.190 29.700 0.062 0.000 1.251 371 E HN 0.257 nan 8.360 nan 0.000 0.450 372 E N 0.491 120.704 120.200 0.023 0.000 2.452 372 E HA 0.205 4.555 4.350 -0.000 0.000 0.261 372 E C 0.698 177.308 176.600 0.017 0.000 0.987 372 E CA 1.205 57.614 56.400 0.016 0.000 0.926 372 E CB 0.426 30.133 29.700 0.012 0.000 0.934 372 E HN 0.919 nan 8.360 nan 0.000 0.452 373 G N 1.729 110.536 108.800 0.012 0.000 2.217 373 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.246 373 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.246 373 G C 0.401 175.308 174.900 0.011 0.000 0.990 373 G CA -0.014 45.092 45.100 0.011 0.000 0.627 373 G HN 0.832 nan 8.290 nan 0.000 0.522 374 A N 0.315 123.145 122.820 0.016 0.000 2.351 374 A HA 0.602 4.922 4.320 -0.000 0.000 0.257 374 A C 0.593 178.180 177.584 0.005 0.000 1.087 374 A CA 0.646 52.692 52.037 0.015 0.000 0.798 374 A CB 0.346 19.363 19.000 0.028 0.000 1.033 374 A HN 0.768 nan 8.150 nan 0.000 0.488 375 E N 1.165 121.365 120.200 -0.001 0.000 2.465 375 E HA 0.229 4.579 4.350 -0.000 0.000 0.260 375 E C 0.410 177.004 176.600 -0.010 0.000 0.980 375 E CA 0.189 56.586 56.400 -0.005 0.000 0.927 375 E CB 0.428 30.125 29.700 -0.006 0.000 0.934 375 E HN 0.658 nan 8.360 nan 0.000 0.459 376 A N 4.432 127.244 122.820 -0.014 0.000 3.074 376 A HA 0.108 4.428 4.320 -0.000 0.000 0.251 376 A C -0.212 177.352 177.584 -0.034 0.000 1.695 376 A CA -0.217 51.806 52.037 -0.023 0.000 1.343 376 A CB -0.110 18.876 19.000 -0.023 0.000 1.078 376 A HN 0.356 nan 8.150 nan 0.000 0.644 377 S N 0.890 116.569 115.700 -0.035 0.000 2.466 377 S HA 0.627 5.097 4.470 -0.000 0.000 0.313 377 S C -0.218 174.334 174.600 -0.080 0.000 1.078 377 S CA -0.259 57.912 58.200 -0.048 0.000 1.115 377 S CB -0.049 63.136 63.200 -0.025 0.000 1.006 377 S HN 0.528 nan 8.310 nan 0.000 0.487 378 L N 2.092 123.246 121.223 -0.115 0.000 2.322 378 L HA 0.855 5.195 4.340 -0.000 0.000 0.252 378 L C -0.742 175.973 176.870 -0.258 0.000 1.055 378 L CA -1.179 53.558 54.840 -0.171 0.000 0.849 378 L CB 1.597 43.582 42.059 -0.124 0.000 1.446 378 L HN 0.283 nan 8.230 nan 0.000 0.416 379 V N 1.275 120.975 119.914 -0.356 0.000 2.808 379 V HA 0.585 4.705 4.120 -0.000 0.000 0.308 379 V C -1.821 174.031 176.094 -0.403 0.000 1.099 379 V CA -0.559 61.476 62.300 -0.443 0.000 0.920 379 V CB 2.300 33.643 31.823 -0.801 0.000 1.014 379 V HN 0.561 nan 8.190 nan 0.000 0.425 380 L N 7.202 128.227 121.223 -0.329 0.000 2.280 380 L HA 0.641 4.981 4.340 -0.000 0.000 0.287 380 L C -1.149 175.488 176.870 -0.389 0.000 1.023 380 L CA -0.178 54.469 54.840 -0.322 0.000 0.819 380 L CB 1.347 43.282 42.059 -0.205 0.000 1.212 380 L HN 0.556 nan 8.230 nan 0.000 0.420 381 L N 3.890 124.735 121.223 -0.630 0.000 2.309 381 L HA 0.513 4.853 4.340 -0.000 0.000 0.282 381 L C 0.355 176.948 176.870 -0.461 0.000 1.036 381 L CA -0.096 54.346 54.840 -0.663 0.000 0.806 381 L CB 1.153 42.496 42.059 -1.193 0.000 1.220 381 L HN 0.715 nan 8.230 nan 0.000 0.429 382 S N 4.424 120.003 115.700 -0.203 0.000 2.509 382 S HA 0.590 5.060 4.470 -0.000 0.000 0.297 382 S C -1.633 172.980 174.600 0.021 0.000 1.118 382 S CA -1.298 56.868 58.200 -0.057 0.000 1.074 382 S CB 1.644 64.847 63.200 0.005 0.000 1.038 382 S HN 0.519 nan 8.310 nan 0.000 0.498 383 P HA 0.059 nan 4.420 nan 0.000 0.236 383 P C -0.050 177.372 177.300 0.203 0.000 1.177 383 P CA 0.074 63.294 63.100 0.200 0.000 0.773 383 P CB -0.011 31.829 31.700 0.234 0.000 0.878 384 K N 2.260 122.754 120.400 0.157 0.000 2.511 384 K HA -0.057 4.263 4.320 -0.000 0.000 0.280 384 K C -0.022 176.706 176.600 0.214 0.000 1.008 384 K CA 0.643 57.017 56.287 0.145 0.000 1.050 384 K CB -0.213 32.339 32.500 0.087 0.000 0.889 384 K HN 0.122 nan 8.250 nan 0.000 0.484 385 E N 4.739 125.051 120.200 0.187 0.000 2.197 385 E HA 0.334 4.684 4.350 -0.000 0.000 0.281 385 E C -0.591 176.112 176.600 0.173 0.000 0.995 385 E CA -0.720 55.822 56.400 0.236 0.000 0.808 385 E CB 1.192 31.009 29.700 0.194 0.000 1.093 385 E HN 0.576 nan 8.360 nan 0.000 0.394 386 R N 1.861 122.500 120.500 0.232 0.000 2.643 386 R HA 0.480 4.820 4.340 -0.000 0.000 0.269 386 R C -3.011 173.425 176.300 0.227 0.000 1.037 386 R CA -2.154 53.991 56.100 0.076 0.000 0.894 386 R CB 1.294 31.462 30.300 -0.220 0.000 1.238 386 R HN 0.260 nan 8.270 nan 0.000 0.459 387 P HA 0.062 nan 4.420 nan 0.000 0.277 387 P C -0.102 177.380 177.300 0.303 0.000 1.240 387 P CA -0.467 62.794 63.100 0.268 0.000 0.798 387 P CB 1.056 32.862 31.700 0.177 0.000 0.979 388 V N 2.935 123.131 119.914 0.469 0.000 2.450 388 V HA 0.003 4.123 4.120 -0.000 0.000 0.281 388 V C 0.679 176.887 176.094 0.189 0.000 1.019 388 V CA 0.882 63.483 62.300 0.501 0.000 1.062 388 V CB -0.307 31.837 31.823 0.535 0.000 0.979 388 V HN 0.592 nan 8.190 nan 0.000 0.477 389 D N 6.999 127.400 120.400 0.001 0.000 2.446 389 D HA 0.397 5.037 4.640 -0.000 0.000 0.251 389 D C -1.701 174.237 176.300 -0.603 0.000 1.137 389 D CA -2.157 51.729 54.000 -0.189 0.000 0.890 389 D CB 2.176 42.900 40.800 -0.128 0.000 1.071 389 D HN 0.163 nan 8.370 nan 0.000 0.528 390 P HA -0.183 nan 4.420 nan 0.000 0.216 390 P C 1.369 178.273 177.300 -0.659 0.000 1.150 390 P CA 1.253 63.579 63.100 -1.290 0.000 0.843 390 P CB 0.162 31.572 31.700 -0.483 0.000 0.787 391 S N -0.916 114.593 115.700 -0.317 0.000 2.469 391 S HA -0.071 4.399 4.470 -0.000 0.000 0.238 391 S C 1.819 176.358 174.600 -0.102 0.000 0.998 391 S CA 1.082 59.197 58.200 -0.141 0.000 0.957 391 S CB -1.076 62.074 63.200 -0.083 0.000 0.764 391 S HN 0.133 nan 8.310 nan 0.000 0.514 392 A N 0.029 122.754 122.820 -0.158 0.000 2.308 392 A HA 0.483 4.803 4.320 -0.000 0.000 0.217 392 A C 0.199 177.855 177.584 0.121 0.000 1.216 392 A CA -0.547 51.470 52.037 -0.033 0.000 0.864 392 A CB -0.351 18.618 19.000 -0.052 0.000 0.902 392 A HN 0.401 nan 8.150 nan 0.000 0.499 393 F N -0.521 119.456 119.950 0.045 0.000 2.506 393 F HA 0.341 4.868 4.527 -0.000 0.000 0.351 393 F C 1.568 177.394 175.800 0.043 0.000 1.136 393 F CA -0.447 57.586 58.000 0.055 0.000 1.298 393 F CB 0.630 39.659 39.000 0.048 0.000 1.145 393 F HN 0.145 nan 8.300 nan 0.000 0.593 394 A N 1.626 124.587 122.820 0.235 0.000 2.030 394 A HA 0.023 4.343 4.320 -0.000 0.000 0.215 394 A C 1.331 178.984 177.584 0.114 0.000 1.164 394 A CA 0.664 52.780 52.037 0.131 0.000 0.697 394 A CB -0.507 18.540 19.000 0.079 0.000 0.827 394 A HN 0.591 nan 8.150 nan 0.000 0.457 395 S N -0.266 115.493 115.700 0.099 0.000 2.568 395 S HA 0.093 4.563 4.470 -0.000 0.000 0.282 395 S C 0.934 175.603 174.600 0.116 0.000 1.338 395 S CA -0.072 58.175 58.200 0.079 0.000 1.045 395 S CB 0.544 63.764 63.200 0.033 0.000 0.873 395 S HN 0.435 nan 8.310 nan 0.000 0.516 396 K N 2.407 122.863 120.400 0.093 0.000 2.288 396 K HA 0.080 4.400 4.320 -0.000 0.000 0.201 396 K C 0.779 177.425 176.600 0.077 0.000 1.048 396 K CA 0.775 57.116 56.287 0.090 0.000 0.956 396 K CB -0.163 32.388 32.500 0.085 0.000 0.746 396 K HN 0.650 nan 8.250 nan 0.000 0.461 397 A N 2.568 125.391 122.820 0.004 0.000 2.666 397 A HA 0.078 4.398 4.320 -0.000 0.000 0.301 397 A C -0.072 177.410 177.584 -0.169 0.000 1.470 397 A CA -0.204 51.729 52.037 -0.172 0.000 1.159 397 A CB -0.019 18.692 19.000 -0.482 0.000 1.116 397 A HN 0.077 nan 8.150 nan 0.000 0.548 398 R N 2.471 123.003 120.500 0.054 0.000 4.792 398 R HA 0.242 4.582 4.340 -0.000 0.000 0.205 398 R C -1.060 175.331 176.300 0.152 0.000 1.875 398 R CA 0.239 56.408 56.100 0.115 0.000 1.588 398 R CB -1.586 28.773 30.300 0.098 0.000 1.401 398 R HN 0.797 nan 8.270 nan 0.000 0.834 399 Y N -3.749 116.654 120.300 0.172 0.000 2.689 399 Y HA 0.657 5.207 4.550 -0.000 0.000 0.333 399 Y C -0.716 175.293 175.900 0.181 0.000 1.208 399 Y CA -1.473 56.677 58.100 0.084 0.000 1.055 399 Y CB 1.170 39.633 38.460 0.004 0.000 1.304 399 Y HN -0.029 nan 8.280 nan 0.000 0.455 400 S N 0.804 116.663 115.700 0.265 0.000 2.579 400 S HA 0.395 4.865 4.470 -0.000 0.000 0.290 400 S C -2.764 171.770 174.600 -0.110 0.000 1.123 400 S CA -0.920 57.370 58.200 0.150 0.000 0.894 400 S CB 1.660 65.098 63.200 0.396 0.000 1.095 400 S HN 0.611 nan 8.310 nan 0.000 0.450 401 P HA 0.086 nan 4.420 nan 0.000 0.230 401 P C 0.409 177.314 177.300 -0.659 0.000 1.158 401 P CA 0.644 63.246 63.100 -0.829 0.000 0.769 401 P CB 0.005 30.932 31.700 -1.288 0.000 0.807 402 W N 0.113 121.196 121.300 -0.363 0.000 3.102 402 W HA 0.478 5.138 4.660 -0.000 0.000 0.401 402 W C 0.314 176.667 176.519 -0.278 0.000 1.070 402 W CA -0.943 55.887 57.345 -0.859 0.000 1.921 402 W CB -0.354 28.588 29.460 -0.863 0.000 1.118 402 W HN -0.099 nan 8.180 nan 0.000 0.647 403 A N 0.663 123.571 122.820 0.147 0.000 2.567 403 A HA 0.383 4.703 4.320 -0.000 0.000 0.240 403 A C 1.478 179.271 177.584 0.348 0.000 1.053 403 A CA 1.733 53.905 52.037 0.226 0.000 0.755 403 A CB -0.251 18.833 19.000 0.141 0.000 0.978 403 A HN 0.852 nan 8.150 nan 0.000 0.507 404 G N 1.265 110.266 108.800 0.335 0.000 2.241 404 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.244 404 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.244 404 G C 0.019 175.196 174.900 0.462 0.000 0.998 404 G CA 0.203 45.508 45.100 0.343 0.000 0.621 404 G HN 0.838 nan 8.290 nan 0.000 0.519 405 W N 1.257 122.704 121.300 0.245 0.000 2.322 405 W HA 0.481 5.141 4.660 0.000 0.000 0.328 405 W C 0.679 177.344 176.519 0.244 0.000 1.395 405 W CA -0.437 57.052 57.345 0.240 0.000 1.267 405 W CB 0.390 30.020 29.460 0.283 0.000 1.259 405 W HN 0.133 nan 8.180 nan 0.000 0.560 406 V N 7.021 127.143 119.914 0.347 0.000 2.405 406 V HA 0.212 4.332 4.120 -0.000 0.000 0.264 406 V C 0.332 176.618 176.094 0.320 0.000 1.048 406 V CA -0.396 62.084 62.300 0.299 0.000 0.966 406 V CB -0.593 31.339 31.823 0.181 0.000 1.015 406 V HN 0.285 nan 8.190 nan 0.000 0.477 407 L N 4.319 125.806 121.223 0.440 0.000 2.341 407 L HA 0.902 5.242 4.340 -0.000 0.000 0.267 407 L C 0.627 177.765 176.870 0.448 0.000 1.009 407 L CA -0.532 54.519 54.840 0.352 0.000 0.819 407 L CB 2.045 44.185 42.059 0.136 0.000 1.323 407 L HN 0.644 nan 8.230 nan 0.000 0.425 408 G N -1.273 107.715 108.800 0.314 0.000 2.667 408 G HA2 0.531 4.491 3.960 -0.000 0.000 0.310 408 G HA3 0.531 4.491 3.960 -0.000 0.000 0.310 408 G C 0.443 175.442 174.900 0.164 0.000 1.259 408 G CA -0.271 45.047 45.100 0.363 0.000 1.019 408 G HN 1.000 nan 8.290 nan 0.000 0.496 409 G N -1.951 106.827 108.800 -0.036 0.000 2.136 409 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.242 409 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.242 409 G C 0.131 174.967 174.900 -0.107 0.000 0.989 409 G CA 0.203 45.031 45.100 -0.453 0.000 0.682 409 G HN 0.551 nan 8.290 nan 0.000 0.522 410 W N 0.202 121.485 121.300 -0.029 0.000 2.218 410 W HA 0.536 5.196 4.660 -0.000 0.000 0.326 410 W C -1.856 174.636 176.519 -0.045 0.000 1.276 410 W CA -2.092 55.265 57.345 0.021 0.000 1.210 410 W CB 0.262 29.754 29.460 0.053 0.000 1.143 410 W HN -0.001 nan 8.180 nan 0.000 0.563 411 P HA 0.004 nan 4.420 nan 0.000 0.276 411 P C 0.457 177.853 177.300 0.159 0.000 1.230 411 P CA 0.097 63.227 63.100 0.050 0.000 0.776 411 P CB 0.832 32.537 31.700 0.008 0.000 0.888 412 V N 1.078 120.997 119.914 0.009 0.000 3.556 412 V HA 0.441 4.561 4.120 -0.000 0.000 0.287 412 V C 0.050 176.039 176.094 -0.175 0.000 1.422 412 V CA 0.074 62.345 62.300 -0.048 0.000 1.038 412 V CB -0.116 31.669 31.823 -0.064 0.000 0.850 412 V HN 0.292 nan 8.190 nan 0.000 0.437 413 L N 0.495 121.638 121.223 -0.133 0.000 2.588 413 L HA 0.793 5.133 4.340 -0.000 0.000 0.263 413 L C -1.070 175.741 176.870 -0.099 0.000 0.935 413 L CA 0.295 55.040 54.840 -0.157 0.000 0.891 413 L CB 2.195 44.167 42.059 -0.145 0.000 1.318 413 L HN 0.143 nan 8.230 nan 0.000 0.409 414 T N 5.766 120.293 114.554 -0.045 0.000 2.841 414 T HA 0.727 5.077 4.350 -0.000 0.000 0.285 414 T C -0.868 173.800 174.700 -0.054 0.000 0.991 414 T CA -0.386 61.680 62.100 -0.057 0.000 0.966 414 T CB 1.259 70.134 68.868 0.012 0.000 0.962 414 T HN 0.463 nan 8.240 nan 0.000 0.438 415 L N 2.560 123.733 121.223 -0.082 0.000 2.365 415 L HA 0.742 5.082 4.340 -0.000 0.000 0.273 415 L C -0.729 176.110 176.870 -0.052 0.000 1.000 415 L CA -1.284 53.521 54.840 -0.058 0.000 0.819 415 L CB 2.135 44.157 42.059 -0.063 0.000 1.284 415 L HN 0.322 nan 8.230 nan 0.000 0.418 416 V N 2.961 122.857 119.914 -0.031 0.000 2.326 416 V HA 0.429 4.549 4.120 -0.000 0.000 0.281 416 V C 0.703 176.786 176.094 -0.018 0.000 1.015 416 V CA -0.183 62.104 62.300 -0.021 0.000 0.823 416 V CB 1.148 32.965 31.823 -0.011 0.000 1.009 416 V HN 0.997 nan 8.190 nan 0.000 0.436 417 A N 4.314 127.123 122.820 -0.018 0.000 2.745 417 A HA 0.003 4.323 4.320 -0.000 0.000 0.296 417 A C 1.796 179.370 177.584 -0.017 0.000 1.500 417 A CA 1.358 53.386 52.037 -0.015 0.000 0.766 417 A CB -1.528 17.466 19.000 -0.010 0.000 1.030 417 A HN 2.496 nan 8.150 nan 0.000 0.489 418 G N -1.761 107.025 108.800 -0.023 0.000 2.253 418 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.251 418 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.251 418 G C 0.293 175.178 174.900 -0.024 0.000 0.998 418 G CA 1.154 46.240 45.100 -0.024 0.000 0.621 418 G HN 1.659 nan 8.290 nan 0.000 0.524 419 R N 0.793 121.281 120.500 -0.021 0.000 2.340 419 R HA 0.552 4.892 4.340 -0.000 0.000 0.300 419 R C 0.305 176.593 176.300 -0.020 0.000 1.069 419 R CA -0.688 55.401 56.100 -0.018 0.000 0.984 419 R CB 0.127 30.420 30.300 -0.011 0.000 1.003 419 R HN 0.265 nan 8.270 nan 0.000 0.459 420 I N 6.334 126.891 120.570 -0.022 0.000 2.421 420 I HA -0.042 4.128 4.170 -0.000 0.000 0.291 420 I C 1.340 177.454 176.117 -0.006 0.000 1.089 420 I CA -0.116 61.169 61.300 -0.025 0.000 1.354 420 I CB 1.215 39.193 38.000 -0.037 0.000 1.413 420 I HN 0.589 nan 8.210 nan 0.000 0.513 421 V N 2.063 121.984 119.914 0.013 0.000 3.661 421 V HA 0.258 4.378 4.120 -0.000 0.000 0.271 421 V C 0.106 176.264 176.094 0.108 0.000 1.315 421 V CA 0.268 62.594 62.300 0.044 0.000 1.072 421 V CB -0.512 31.333 31.823 0.037 0.000 0.830 421 V HN 0.829 nan 8.190 nan 0.000 0.443 422 H N 0.237 119.291 119.070 -0.026 0.000 3.026 422 H HA 0.716 5.272 4.556 -0.000 0.000 0.352 422 H C -1.481 173.827 175.328 -0.034 0.000 1.090 422 H CA -0.250 55.786 56.048 -0.021 0.000 1.268 422 H CB 1.778 31.529 29.762 -0.019 0.000 1.816 422 H HN 0.286 nan 8.280 nan 0.000 0.518 423 E N 4.032 123.844 120.200 -0.647 0.000 2.291 423 E HA 0.586 4.936 4.350 -0.000 0.000 0.276 423 E C -1.672 174.639 176.600 -0.481 0.000 0.896 423 E CA -0.487 55.604 56.400 -0.516 0.000 0.774 423 E CB 1.434 30.997 29.700 -0.227 0.000 1.227 423 E HN 0.749 nan 8.360 nan 0.000 0.413 424 A N 6.128 128.711 122.820 -0.396 0.000 3.106 424 A HA 0.301 4.621 4.320 -0.000 0.000 0.227 424 A C -0.464 177.047 177.584 -0.122 0.000 0.920 424 A CA -0.438 51.483 52.037 -0.193 0.000 1.088 424 A CB -0.183 18.757 19.000 -0.100 0.000 1.233 424 A HN 0.495 nan 8.150 nan 0.000 0.503 425 L N 0.707 121.858 121.223 -0.120 0.000 2.455 425 L HA 0.290 4.630 4.340 -0.000 0.000 0.272 425 L C 0.520 177.355 176.870 -0.059 0.000 1.174 425 L CA 0.188 54.979 54.840 -0.082 0.000 0.869 425 L CB 0.511 42.522 42.059 -0.080 0.000 1.130 425 L HN 0.221 nan 8.230 nan 0.000 0.474 426 K N 0.000 120.374 120.400 -0.043 0.000 2.780 426 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 426 K CA 0.000 56.264 56.287 -0.038 0.000 0.838 426 K CB 0.000 32.478 32.500 -0.037 0.000 1.064 426 K HN 0.000 nan 8.250 nan 0.000 0.543