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 1jmy_1_A DATA FIRST_RESID 1 DATA SEQUENCE AKLGAVYTEG GFVEGVNKKL GLLGDSVDIF KGIPFAAPTK ALENPQPHPG DATA SEQUENCE WQGTLKAKNF KKRcLQATIT QDSTYGDEDc LYLNIWVPQG RKQVSRDLPV DATA SEQUENCE MIWIYGGAFL MGSGHGANFL NNYLYDGEEI ATRGNVIVVT FNYRVGPLGF DATA SEQUENCE LSTGDANLPG NYGLRDQHMA IAWVKRNIAA FGGDPNNITL FGESAGGASV DATA SEQUENCE SLQTLSPYNK GLIRRAISQS GVALSPWVIQ KNPLFWAKKV AEKVGcPVGD DATA SEQUENCE AARMAQcLKV TDPRALTLAY KVXXXXXXXP MLHYVGFVPV IDGDFIPADP DATA SEQUENCE INLYANAADI DYIAGTNNMD GHIFASIDMP RINKGNKKVT EEDFYKLVSE DATA SEQUENCE FTITKGLRGA KTTFDVYTES WAQDPSQENK KKTVVDFETD VLFLVPTEIA DATA SEQUENCE LAQHRANAKS AKTYAYLFSH PSRMPVYPKW VGADHADDIQ YVFGKPFATP DATA SEQUENCE TGYRPQDRTV SKAMIAYWTN FAKTGDPNMG DSAVPTHWEP YTTENSGYLE DATA SEQUENCE ITKKMGSSSM KRSLRTNFPG IH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.614 177.584 0.050 0.000 1.274 1 A CA 0.000 52.060 52.037 0.039 0.000 0.836 1 A CB 0.000 19.025 19.000 0.041 0.000 0.831 2 K N 0.565 120.993 120.400 0.046 0.000 2.177 2 K HA 0.752 5.072 4.320 0.001 0.000 0.238 2 K C 0.658 177.300 176.600 0.071 0.000 1.015 2 K CA -0.668 55.652 56.287 0.054 0.000 0.922 2 K CB 0.734 33.253 32.500 0.032 0.000 1.127 2 K HN 0.414 nan 8.250 nan 0.000 0.469 3 L N 0.294 121.574 121.223 0.095 0.000 2.609 3 L HA 0.299 4.640 4.340 0.001 0.000 0.230 3 L C 0.825 177.757 176.870 0.104 0.000 1.087 3 L CA 1.497 56.408 54.840 0.118 0.000 0.874 3 L CB -0.455 41.727 42.059 0.205 0.000 1.114 3 L HN 0.946 nan 8.230 nan 0.000 0.488 4 G N 0.111 108.959 108.800 0.081 0.000 2.574 4 G HA2 -0.260 3.700 3.960 0.001 0.000 0.286 4 G HA3 -0.260 3.700 3.960 0.001 0.000 0.286 4 G C 0.313 175.284 174.900 0.119 0.000 1.212 4 G CA 0.126 45.267 45.100 0.069 0.000 0.979 4 G HN 0.841 nan 8.290 nan 0.000 0.557 5 A N -0.928 121.972 122.820 0.133 0.000 2.340 5 A HA 0.667 4.988 4.320 0.001 0.000 0.268 5 A C 0.167 177.893 177.584 0.237 0.000 1.100 5 A CA 0.540 52.710 52.037 0.221 0.000 0.803 5 A CB 1.052 20.185 19.000 0.222 0.000 1.043 5 A HN 1.820 nan 8.150 nan 0.000 0.488 6 V N 1.762 121.805 119.914 0.216 0.000 2.656 6 V HA 0.292 4.412 4.120 0.001 0.000 0.307 6 V C -0.871 175.191 176.094 -0.053 0.000 1.051 6 V CA -0.580 61.684 62.300 -0.061 0.000 0.893 6 V CB 1.529 32.939 31.823 -0.688 0.000 0.999 6 V HN 0.810 nan 8.190 nan 0.000 0.426 7 Y N 3.447 123.570 120.300 -0.296 0.000 2.304 7 Y HA 0.636 5.187 4.550 0.001 0.000 0.328 7 Y C 0.534 176.232 175.900 -0.335 0.000 1.123 7 Y CA -0.055 57.685 58.100 -0.600 0.000 1.218 7 Y CB 1.419 39.474 38.460 -0.675 0.000 1.207 7 Y HN 0.876 nan 8.280 nan 0.000 0.495 8 T N 0.767 114.555 114.554 -1.276 0.000 2.883 8 T HA 0.237 4.587 4.350 0.001 0.000 0.301 8 T C 0.545 174.659 174.700 -0.978 0.000 1.158 8 T CA -0.373 61.286 62.100 -0.734 0.000 1.007 8 T CB 1.402 70.257 68.868 -0.021 0.000 1.186 8 T HN 0.728 nan 8.240 nan 0.000 0.499 9 E N 0.779 120.657 120.200 -0.537 0.000 2.284 9 E HA -0.104 4.246 4.350 0.001 0.000 0.200 9 E C 1.632 178.016 176.600 -0.360 0.000 1.008 9 E CA 1.603 57.789 56.400 -0.356 0.000 0.829 9 E CB -0.715 28.855 29.700 -0.217 0.000 0.744 9 E HN 0.815 nan 8.360 nan 0.000 0.491 10 G N -0.081 108.441 108.800 -0.463 0.000 2.887 10 G HA2 0.448 4.409 3.960 0.001 0.000 0.211 10 G HA3 0.448 4.409 3.960 0.001 0.000 0.211 10 G C 0.531 174.472 174.900 -1.598 0.000 1.152 10 G CA 0.108 44.689 45.100 -0.865 0.000 0.769 10 G HN 0.654 nan 8.290 nan 0.000 0.541 11 G N -0.960 107.194 108.800 -1.077 0.000 2.302 11 G HA2 0.205 4.165 3.960 0.001 0.000 0.276 11 G HA3 0.205 4.165 3.960 0.001 0.000 0.276 11 G C -1.207 173.594 174.900 -0.165 0.000 1.316 11 G CA -1.148 43.558 45.100 -0.656 0.000 0.988 11 G HN 0.115 nan 8.290 nan 0.000 0.479 12 F N 0.568 120.769 119.950 0.419 0.000 2.384 12 F HA 0.622 5.149 4.527 0.000 0.000 0.338 12 F C 1.149 177.252 175.800 0.506 0.000 1.103 12 F CA 0.061 58.312 58.000 0.418 0.000 1.157 12 F CB 1.810 41.017 39.000 0.345 0.000 1.167 12 F HN 0.554 nan 8.300 nan 0.000 0.529 13 V N -0.385 119.846 119.914 0.530 0.000 3.074 13 V HA 0.760 4.881 4.120 0.001 0.000 0.314 13 V C -1.072 175.257 176.094 0.390 0.000 1.117 13 V CA -0.799 61.758 62.300 0.429 0.000 1.014 13 V CB 1.941 34.062 31.823 0.497 0.000 1.057 13 V HN 0.845 nan 8.190 nan 0.000 0.438 14 E N 0.477 120.851 120.200 0.290 0.000 2.311 14 E HA 0.632 4.983 4.350 0.001 0.000 0.281 14 E C -0.343 176.234 176.600 -0.038 0.000 0.905 14 E CA -0.004 56.485 56.400 0.149 0.000 0.778 14 E CB 2.014 31.764 29.700 0.084 0.000 1.240 14 E HN 1.093 nan 8.360 nan 0.000 0.410 15 G N 2.106 110.673 108.800 -0.389 0.000 3.310 15 G HA2 0.690 4.651 3.960 0.001 0.000 0.176 15 G HA3 0.690 4.651 3.960 0.001 0.000 0.176 15 G C -0.291 174.357 174.900 -0.419 0.000 1.307 15 G CA 0.219 44.975 45.100 -0.573 0.000 0.935 15 G HN 0.721 nan 8.290 nan 0.000 0.628 16 V N -1.841 117.802 119.914 -0.452 0.000 3.049 16 V HA 0.673 4.793 4.120 0.001 0.000 0.309 16 V C -1.186 174.770 176.094 -0.229 0.000 1.148 16 V CA -1.235 60.907 62.300 -0.263 0.000 0.990 16 V CB 1.849 33.557 31.823 -0.192 0.000 1.039 16 V HN 0.691 nan 8.190 nan 0.000 0.430 17 N N 2.187 120.810 118.700 -0.129 0.000 2.405 17 N HA 0.472 5.213 4.740 0.001 0.000 0.299 17 N C -1.241 174.250 175.510 -0.032 0.000 1.075 17 N CA -0.553 52.456 53.050 -0.067 0.000 0.884 17 N CB 2.303 40.770 38.487 -0.033 0.000 1.194 17 N HN 0.984 nan 8.380 nan 0.000 0.491 18 K N 1.649 122.053 120.400 0.005 0.000 2.579 18 K HA 0.295 4.615 4.320 0.001 0.000 0.250 18 K C -0.770 175.854 176.600 0.041 0.000 0.952 18 K CA -0.608 55.694 56.287 0.025 0.000 0.857 18 K CB 0.607 33.136 32.500 0.049 0.000 1.123 18 K HN 0.559 nan 8.250 nan 0.000 0.433 19 K N 4.806 125.223 120.400 0.030 0.000 2.412 19 K HA 0.131 4.451 4.320 0.001 0.000 0.284 19 K C 0.583 177.206 176.600 0.038 0.000 1.046 19 K CA 0.028 56.334 56.287 0.032 0.000 0.999 19 K CB -0.042 32.471 32.500 0.023 0.000 0.941 19 K HN 0.711 nan 8.250 nan 0.000 0.474 20 L N 2.279 123.527 121.223 0.042 0.000 2.591 20 L HA 0.117 4.457 4.340 0.001 0.000 0.228 20 L C 2.099 178.986 176.870 0.028 0.000 1.133 20 L CA 0.583 55.448 54.840 0.041 0.000 0.880 20 L CB -0.227 41.859 42.059 0.045 0.000 1.033 20 L HN 1.134 nan 8.230 nan 0.000 0.450 21 G N 0.988 109.802 108.800 0.024 0.000 2.454 21 G HA2 -0.321 3.639 3.960 0.001 0.000 0.323 21 G HA3 -0.321 3.639 3.960 0.001 0.000 0.323 21 G C 1.073 175.980 174.900 0.012 0.000 0.933 21 G CA 0.591 45.702 45.100 0.018 0.000 0.803 21 G HN 0.460 nan 8.290 nan 0.000 0.511 22 L N -1.850 119.377 121.223 0.007 0.000 2.549 22 L HA 0.173 4.513 4.340 0.001 0.000 0.230 22 L C 0.988 177.859 176.870 0.001 0.000 1.162 22 L CA 0.183 55.023 54.840 0.000 0.000 0.834 22 L CB -0.119 41.931 42.059 -0.014 0.000 0.947 22 L HN 0.354 nan 8.230 nan 0.000 0.452 23 L N -0.302 120.924 121.223 0.005 0.000 1.549 23 L HA -0.012 4.329 4.340 0.001 0.000 0.607 23 L C 0.267 177.141 176.870 0.007 0.000 1.001 23 L CA 0.664 55.508 54.840 0.007 0.000 1.284 23 L CB -1.079 40.984 42.059 0.006 0.000 2.119 23 L HN 0.295 nan 8.230 nan 0.000 1.058 24 G N 1.952 110.759 108.800 0.011 0.000 3.435 24 G HA2 -0.144 3.816 3.960 0.001 0.000 0.197 24 G HA3 -0.144 3.816 3.960 0.001 0.000 0.197 24 G C -0.096 174.815 174.900 0.018 0.000 1.497 24 G CA 0.048 45.156 45.100 0.013 0.000 1.043 24 G HN 0.650 nan 8.290 nan 0.000 0.466 25 D N 1.131 121.542 120.400 0.018 0.000 2.358 25 D HA 0.605 5.245 4.640 0.001 0.000 0.244 25 D C 0.847 177.168 176.300 0.035 0.000 1.163 25 D CA 0.961 54.977 54.000 0.026 0.000 0.945 25 D CB 1.561 42.374 40.800 0.021 0.000 1.152 25 D HN 0.802 nan 8.370 nan 0.000 0.451 26 S N -1.029 114.700 115.700 0.049 0.000 2.757 26 S HA 0.731 5.201 4.470 0.001 0.000 0.285 26 S C -1.535 173.118 174.600 0.089 0.000 1.196 26 S CA -0.847 57.389 58.200 0.060 0.000 0.856 26 S CB 1.431 64.662 63.200 0.051 0.000 1.212 26 S HN 0.426 nan 8.310 nan 0.000 0.516 27 V N 1.043 121.020 119.914 0.105 0.000 2.852 27 V HA 0.436 4.556 4.120 0.001 0.000 0.300 27 V C -1.987 174.184 176.094 0.130 0.000 1.205 27 V CA -0.560 61.834 62.300 0.157 0.000 0.940 27 V CB 1.932 33.890 31.823 0.225 0.000 1.047 27 V HN 1.007 nan 8.190 nan 0.000 0.429 28 D N 5.775 126.270 120.400 0.159 0.000 2.255 28 D HA 0.548 5.188 4.640 0.001 0.000 0.249 28 D C -0.556 175.764 176.300 0.034 0.000 1.078 28 D CA 0.133 54.174 54.000 0.068 0.000 0.896 28 D CB 2.190 43.117 40.800 0.212 0.000 1.194 28 D HN 0.429 nan 8.370 nan 0.000 0.429 29 I N 2.203 122.605 120.570 -0.280 0.000 2.478 29 I HA 0.253 4.424 4.170 0.001 0.000 0.287 29 I C -1.033 174.758 176.117 -0.544 0.000 1.042 29 I CA -0.751 60.316 61.300 -0.388 0.000 1.067 29 I CB 1.157 38.928 38.000 -0.381 0.000 1.233 29 I HN 0.078 nan 8.210 nan 0.000 0.431 30 F N 5.165 124.910 119.950 -0.341 0.000 2.449 30 F HA 0.541 5.068 4.527 0.000 0.000 0.342 30 F C 0.032 175.625 175.800 -0.345 0.000 1.127 30 F CA -0.872 56.997 58.000 -0.219 0.000 0.975 30 F CB 1.439 40.434 39.000 -0.008 0.000 1.146 30 F HN 0.164 nan 8.300 nan 0.000 0.444 31 K N 1.651 121.935 120.400 -0.194 0.000 2.502 31 K HA 0.615 4.936 4.320 0.001 0.000 0.254 31 K C 0.396 176.906 176.600 -0.150 0.000 0.947 31 K CA -0.559 55.566 56.287 -0.270 0.000 0.834 31 K CB 1.933 34.037 32.500 -0.659 0.000 1.112 31 K HN 0.855 nan 8.250 nan 0.000 0.427 32 G N 2.619 111.403 108.800 -0.027 0.000 2.229 32 G HA2 -0.179 3.781 3.960 0.001 0.000 0.189 32 G HA3 -0.179 3.781 3.960 0.001 0.000 0.189 32 G C 0.166 175.101 174.900 0.057 0.000 1.000 32 G CA -0.755 44.305 45.100 -0.067 0.000 0.663 32 G HN 0.542 nan 8.290 nan 0.000 0.493 33 I N 3.676 124.270 120.570 0.039 0.000 2.741 33 I HA 0.177 4.347 4.170 0.001 0.000 0.288 33 I C -1.453 174.655 176.117 -0.016 0.000 1.192 33 I CA -1.005 60.273 61.300 -0.038 0.000 1.426 33 I CB 0.597 38.507 38.000 -0.150 0.000 1.367 33 I HN 0.018 nan 8.210 nan 0.000 0.563 34 P HA 0.154 nan 4.420 nan 0.000 0.290 34 P C -0.453 176.580 177.300 -0.445 0.000 1.276 34 P CA -0.293 62.557 63.100 -0.417 0.000 0.808 34 P CB 1.012 32.416 31.700 -0.495 0.000 0.966 35 F N 0.390 120.067 119.950 -0.455 0.000 2.688 35 F HA 0.784 5.312 4.527 0.002 0.000 0.310 35 F C -0.152 175.589 175.800 -0.097 0.000 1.098 35 F CA -1.051 56.710 58.000 -0.399 0.000 1.228 35 F CB 0.152 38.848 39.000 -0.508 0.000 1.042 35 F HN 0.385 nan 8.300 nan 0.000 0.557 36 A N 0.922 123.435 122.820 -0.510 0.000 2.582 36 A HA 0.734 5.054 4.320 0.001 0.000 0.297 36 A C -0.562 176.909 177.584 -0.187 0.000 1.059 36 A CA -0.542 51.336 52.037 -0.265 0.000 0.705 36 A CB 0.127 18.924 19.000 -0.338 0.000 1.279 36 A HN 0.758 nan 8.150 nan 0.000 0.404 37 A N 2.408 125.210 122.820 -0.030 0.000 2.520 37 A HA 0.574 4.895 4.320 0.001 0.000 0.235 37 A C -2.224 175.314 177.584 -0.077 0.000 1.065 37 A CA -0.604 51.417 52.037 -0.027 0.000 0.764 37 A CB -0.845 18.125 19.000 -0.050 0.000 1.002 37 A HN 0.555 nan 8.150 nan 0.000 0.502 38 P HA 0.020 nan 4.420 nan 0.000 0.263 38 P C 0.517 177.786 177.300 -0.051 0.000 1.168 38 P CA 0.786 63.858 63.100 -0.047 0.000 0.759 38 P CB 0.309 32.010 31.700 0.002 0.000 0.782 39 T N 0.888 115.409 114.554 -0.055 0.000 2.849 39 T HA 0.406 4.756 4.350 0.001 0.000 0.284 39 T C -0.169 174.500 174.700 -0.052 0.000 1.004 39 T CA -0.589 61.479 62.100 -0.053 0.000 1.021 39 T CB 0.693 69.529 68.868 -0.053 0.000 1.013 39 T HN 0.211 nan 8.240 nan 0.000 0.527 40 K N 0.802 121.160 120.400 -0.071 0.000 2.378 40 K HA 0.624 4.945 4.320 0.001 0.000 0.252 40 K C -0.246 176.277 176.600 -0.128 0.000 0.931 40 K CA -0.977 55.264 56.287 -0.077 0.000 0.794 40 K CB 2.071 34.533 32.500 -0.063 0.000 1.181 40 K HN 0.908 nan 8.250 nan 0.000 0.425 41 A N 3.336 126.084 122.820 -0.121 0.000 2.598 41 A HA -0.006 4.315 4.320 0.001 0.000 0.239 41 A C 0.826 178.251 177.584 -0.264 0.000 1.032 41 A CA 0.374 52.310 52.037 -0.167 0.000 0.760 41 A CB -0.783 18.150 19.000 -0.111 0.000 0.946 41 A HN 0.993 nan 8.150 nan 0.000 0.512 42 L N -0.734 120.212 121.223 -0.461 0.000 3.737 42 L HA -0.208 4.132 4.340 0.001 0.000 0.418 42 L C 0.017 176.446 176.870 -0.734 0.000 1.216 42 L CA 0.916 55.279 54.840 -0.795 0.000 0.915 42 L CB -1.970 39.879 42.059 -0.350 0.000 1.834 42 L HN 0.832 nan 8.230 nan 0.000 0.943 43 E N 0.497 120.351 120.200 -0.577 0.000 2.256 43 E HA 0.469 4.819 4.350 0.001 0.000 0.268 43 E C -0.052 176.510 176.600 -0.063 0.000 0.877 43 E CA -0.747 55.527 56.400 -0.209 0.000 0.757 43 E CB 1.051 30.684 29.700 -0.112 0.000 1.183 43 E HN 0.125 nan 8.360 nan 0.000 0.418 44 N N 4.105 122.895 118.700 0.150 0.000 2.292 44 N HA 0.036 4.777 4.740 0.001 0.000 0.242 44 N C -2.293 173.268 175.510 0.085 0.000 1.243 44 N CA -0.421 52.740 53.050 0.184 0.000 0.851 44 N CB 0.010 38.574 38.487 0.127 0.000 1.093 44 N HN 0.343 nan 8.380 nan 0.000 0.450 45 P HA 0.048 nan 4.420 nan 0.000 0.271 45 P C -0.827 176.507 177.300 0.058 0.000 1.218 45 P CA -0.063 63.071 63.100 0.056 0.000 0.780 45 P CB 0.801 32.551 31.700 0.085 0.000 0.901 46 Q N 2.130 121.951 119.800 0.035 0.000 2.377 46 Q HA 0.474 4.814 4.340 0.001 0.000 0.271 46 Q C -2.328 173.701 176.000 0.048 0.000 1.077 46 Q CA -2.208 53.620 55.803 0.042 0.000 0.820 46 Q CB 1.099 29.849 28.738 0.021 0.000 1.347 46 Q HN 0.331 nan 8.270 nan 0.000 0.444 47 P HA -0.069 nan 4.420 nan 0.000 0.270 47 P C -0.518 176.839 177.300 0.095 0.000 1.221 47 P CA 0.159 63.319 63.100 0.101 0.000 0.788 47 P CB 0.431 32.186 31.700 0.092 0.000 0.904 48 H N 3.432 122.529 119.070 0.046 0.000 2.562 48 H HA 0.138 4.694 4.556 -0.000 0.000 0.314 48 H C -1.161 174.200 175.328 0.054 0.000 1.079 48 H CA -1.864 54.214 56.048 0.049 0.000 1.349 48 H CB 0.877 30.691 29.762 0.086 0.000 1.432 48 H HN 0.312 nan 8.280 nan 0.000 0.479 49 P HA -0.083 nan 4.420 nan 0.000 0.218 49 P C 0.567 177.851 177.300 -0.026 0.000 1.146 49 P CA 1.499 64.510 63.100 -0.148 0.000 0.820 49 P CB 0.462 32.045 31.700 -0.196 0.000 0.778 50 G N -0.320 108.580 108.800 0.167 0.000 2.483 50 G HA2 0.120 4.081 3.960 0.001 0.000 0.521 50 G HA3 0.120 4.081 3.960 0.001 0.000 0.521 50 G C -1.540 173.552 174.900 0.321 0.000 1.278 50 G CA -0.520 44.653 45.100 0.120 0.000 0.965 50 G HN 0.443 nan 8.290 nan 0.000 0.504 51 W N -2.123 119.317 121.300 0.233 0.000 2.988 51 W HA 0.814 5.476 4.660 0.002 0.000 0.355 51 W C -0.631 175.992 176.519 0.173 0.000 1.233 51 W CA -1.024 56.438 57.345 0.194 0.000 1.176 51 W CB 0.546 30.129 29.460 0.205 0.000 1.477 51 W HN 0.646 nan 8.180 nan 0.000 0.582 52 Q N 1.273 121.339 119.800 0.443 0.000 2.215 52 Q HA 0.586 4.927 4.340 0.001 0.000 0.256 52 Q C 0.631 176.882 176.000 0.418 0.000 0.972 52 Q CA 0.281 56.278 55.803 0.322 0.000 0.889 52 Q CB 1.269 30.132 28.738 0.209 0.000 1.281 52 Q HN 1.087 nan 8.270 nan 0.000 0.456 53 G N 1.186 110.177 108.800 0.318 0.000 2.564 53 G HA2 -0.254 3.706 3.960 0.001 0.000 0.273 53 G HA3 -0.254 3.706 3.960 0.001 0.000 0.273 53 G C -0.689 174.452 174.900 0.401 0.000 1.242 53 G CA 0.014 45.275 45.100 0.267 0.000 0.951 53 G HN 0.610 nan 8.290 nan 0.000 0.564 54 T N 0.634 115.350 114.554 0.271 0.000 2.823 54 T HA 0.568 4.919 4.350 0.001 0.000 0.279 54 T C -0.214 174.574 174.700 0.146 0.000 0.998 54 T CA -0.371 61.907 62.100 0.297 0.000 0.994 54 T CB 2.001 70.973 68.868 0.174 0.000 0.960 54 T HN 0.812 nan 8.240 nan 0.000 0.448 55 L N 2.954 124.226 121.223 0.082 0.000 2.312 55 L HA 0.469 4.810 4.340 0.001 0.000 0.281 55 L C -0.191 176.634 176.870 -0.076 0.000 1.070 55 L CA -0.439 54.286 54.840 -0.192 0.000 0.805 55 L CB 0.647 42.325 42.059 -0.636 0.000 1.174 55 L HN 0.344 nan 8.230 nan 0.000 0.434 56 K N 4.970 125.303 120.400 -0.112 0.000 2.250 56 K HA 0.417 4.738 4.320 0.001 0.000 0.280 56 K C -0.523 176.008 176.600 -0.116 0.000 1.098 56 K CA -0.101 56.133 56.287 -0.089 0.000 0.916 56 K CB 0.981 33.425 32.500 -0.092 0.000 1.209 56 K HN 0.646 nan 8.250 nan 0.000 0.461 57 A N 4.206 126.981 122.820 -0.076 0.000 3.016 57 A HA 0.192 4.513 4.320 0.001 0.000 0.303 57 A C 0.487 177.972 177.584 -0.165 0.000 1.507 57 A CA -0.264 51.725 52.037 -0.079 0.000 1.196 57 A CB -0.092 18.963 19.000 0.091 0.000 1.169 57 A HN 0.631 nan 8.150 nan 0.000 0.544 58 K N 0.583 120.867 120.400 -0.193 0.000 2.477 58 K HA 0.189 4.510 4.320 0.001 0.000 0.208 58 K C -0.505 175.940 176.600 -0.258 0.000 1.117 58 K CA -0.029 56.122 56.287 -0.226 0.000 1.039 58 K CB 0.625 33.021 32.500 -0.175 0.000 0.937 58 K HN 0.591 nan 8.250 nan 0.000 0.570 59 N N 0.575 119.114 118.700 -0.269 0.000 2.324 59 N HA 0.230 4.971 4.740 0.001 0.000 0.285 59 N C -1.208 174.154 175.510 -0.247 0.000 1.076 59 N CA -0.551 52.338 53.050 -0.268 0.000 0.864 59 N CB 1.417 39.797 38.487 -0.177 0.000 1.632 59 N HN -0.173 nan 8.380 nan 0.000 0.478 60 F N 1.422 121.275 119.950 -0.163 0.000 2.563 60 F HA 0.100 4.627 4.527 -0.001 0.000 0.363 60 F C 1.183 176.825 175.800 -0.263 0.000 1.123 60 F CA 0.353 58.240 58.000 -0.188 0.000 1.307 60 F CB 0.375 39.196 39.000 -0.298 0.000 1.115 60 F HN 0.152 nan 8.300 nan 0.000 0.592 61 K N 2.482 122.864 120.400 -0.031 0.000 2.095 61 K HA 0.331 4.652 4.320 0.001 0.000 0.252 61 K C -0.299 176.266 176.600 -0.060 0.000 0.977 61 K CA -0.839 55.324 56.287 -0.207 0.000 0.900 61 K CB 0.743 32.850 32.500 -0.655 0.000 1.060 61 K HN 0.370 nan 8.250 nan 0.000 0.449 62 K N 1.752 122.115 120.400 -0.063 0.000 2.552 62 K HA -0.117 4.204 4.320 0.001 0.000 0.276 62 K C 0.634 177.295 176.600 0.101 0.000 0.960 62 K CA 0.512 56.800 56.287 0.001 0.000 0.961 62 K CB 0.145 32.643 32.500 -0.004 0.000 0.902 62 K HN 0.611 nan 8.250 nan 0.000 0.515 63 R N 0.495 121.024 120.500 0.048 0.000 2.584 63 R HA 0.302 4.642 4.340 0.001 0.000 0.253 63 R C -0.457 175.826 176.300 -0.029 0.000 1.251 63 R CA -0.826 55.260 56.100 -0.024 0.000 1.129 63 R CB 0.135 30.268 30.300 -0.279 0.000 1.239 63 R HN 0.458 nan 8.270 nan 0.000 0.595 64 c N 0.649 119.224 118.600 -0.041 0.000 2.539 64 c HA 0.194 4.765 4.570 0.001 0.000 0.392 64 c C 0.554 174.636 174.090 -0.013 0.000 1.269 64 c CA -0.714 55.616 56.329 0.002 0.000 2.250 64 c CB 0.099 42.626 42.510 0.028 0.000 2.584 64 c HN 0.644 nan 8.230 nan 0.000 0.589 65 L N 4.480 125.714 121.223 0.019 0.000 2.700 65 L HA 0.097 4.437 4.340 0.001 0.000 0.272 65 L C 0.350 177.260 176.870 0.067 0.000 1.176 65 L CA 1.421 56.286 54.840 0.043 0.000 0.961 65 L CB -0.538 41.542 42.059 0.035 0.000 1.249 65 L HN 0.907 nan 8.230 nan 0.000 0.487 66 Q N 4.205 124.081 119.800 0.127 0.000 2.693 66 Q HA 0.868 5.209 4.340 0.001 0.000 0.306 66 Q C -1.309 174.824 176.000 0.222 0.000 0.969 66 Q CA -1.028 54.874 55.803 0.166 0.000 0.757 66 Q CB 1.060 29.897 28.738 0.165 0.000 1.494 66 Q HN 0.640 nan 8.270 nan 0.000 0.459 67 A N 0.910 123.831 122.820 0.168 0.000 2.327 67 A HA 0.575 4.895 4.320 0.001 0.000 0.283 67 A C 0.270 177.852 177.584 -0.003 0.000 1.127 67 A CA -0.002 52.083 52.037 0.079 0.000 0.810 67 A CB 0.534 19.569 19.000 0.058 0.000 1.066 67 A HN 0.682 nan 8.150 nan 0.000 0.492 68 T N -0.004 114.440 114.554 -0.183 0.000 2.813 68 T HA 0.274 4.625 4.350 0.001 0.000 0.297 68 T C 1.319 175.908 174.700 -0.185 0.000 1.036 68 T CA -0.593 61.275 62.100 -0.387 0.000 1.044 68 T CB 0.273 68.918 68.868 -0.371 0.000 0.993 68 T HN 0.340 nan 8.240 nan 0.000 0.535 69 I N 1.905 122.368 120.570 -0.179 0.000 2.248 69 I HA -0.168 4.003 4.170 0.001 0.000 0.248 69 I C 2.801 178.870 176.117 -0.080 0.000 1.107 69 I CA 2.168 63.413 61.300 -0.091 0.000 1.373 69 I CB -1.823 36.130 38.000 -0.079 0.000 1.055 69 I HN 0.970 nan 8.210 nan 0.000 0.418 70 T N -1.243 113.253 114.554 -0.096 0.000 3.118 70 T HA -0.077 4.273 4.350 0.001 0.000 0.260 70 T C 0.899 175.561 174.700 -0.064 0.000 1.139 70 T CA -0.054 62.002 62.100 -0.074 0.000 1.085 70 T CB -0.433 68.390 68.868 -0.074 0.000 0.934 70 T HN 0.489 nan 8.240 nan 0.000 0.518 71 Q N 1.376 121.134 119.800 -0.069 0.000 2.406 71 Q HA -0.230 4.110 4.340 0.001 0.000 0.339 71 Q C -0.344 175.636 176.000 -0.034 0.000 1.337 71 Q CA 0.987 56.762 55.803 -0.047 0.000 0.985 71 Q CB -1.686 27.028 28.738 -0.040 0.000 1.216 71 Q HN 0.959 nan 8.270 nan 0.000 0.415 72 D N -2.918 117.457 120.400 -0.042 0.000 2.486 72 D HA 0.196 4.837 4.640 0.001 0.000 0.243 72 D C 0.328 176.611 176.300 -0.029 0.000 1.146 72 D CA 0.253 54.236 54.000 -0.028 0.000 0.821 72 D CB 0.558 41.340 40.800 -0.030 0.000 1.201 72 D HN 0.119 nan 8.370 nan 0.000 0.525 73 S N -0.738 114.932 115.700 -0.050 0.000 2.851 73 S HA 0.804 5.275 4.470 0.001 0.000 0.313 73 S C -1.390 173.183 174.600 -0.046 0.000 1.163 73 S CA -0.187 57.985 58.200 -0.047 0.000 0.850 73 S CB 1.289 64.448 63.200 -0.068 0.000 1.245 73 S HN 0.313 nan 8.310 nan 0.000 0.558 74 T N 0.252 114.795 114.554 -0.018 0.000 2.956 74 T HA 0.673 5.024 4.350 0.001 0.000 0.312 74 T C -1.199 173.588 174.700 0.145 0.000 1.151 74 T CA -0.741 61.391 62.100 0.052 0.000 1.024 74 T CB 0.945 69.859 68.868 0.077 0.000 1.140 74 T HN 0.785 nan 8.240 nan 0.000 0.473 75 Y N 0.229 120.530 120.300 0.001 0.000 2.576 75 Y HA 0.770 5.319 4.550 -0.002 0.000 0.346 75 Y C 0.408 176.313 175.900 0.009 0.000 1.018 75 Y CA -0.818 57.283 58.100 0.002 0.000 1.050 75 Y CB 1.475 39.933 38.460 -0.003 0.000 1.280 75 Y HN 1.355 nan 8.280 nan 0.000 0.474 76 G N 1.382 110.214 108.800 0.054 0.000 2.526 76 G HA2 0.150 4.110 3.960 0.001 0.000 0.250 76 G HA3 0.150 4.110 3.960 0.001 0.000 0.250 76 G C -2.024 172.889 174.900 0.023 0.000 1.289 76 G CA -0.111 44.965 45.100 -0.039 0.000 0.947 76 G HN 1.120 nan 8.290 nan 0.000 0.517 77 D N -1.250 119.164 120.400 0.024 0.000 2.706 77 D HA 0.278 4.918 4.640 0.001 0.000 0.225 77 D C 0.846 177.171 176.300 0.040 0.000 1.241 77 D CA -0.330 53.692 54.000 0.036 0.000 0.784 77 D CB 1.179 42.002 40.800 0.040 0.000 1.521 77 D HN 0.467 nan 8.370 nan 0.000 0.461 78 E N 0.540 120.756 120.200 0.028 0.000 2.448 78 E HA -0.164 4.187 4.350 0.001 0.000 0.203 78 E C -0.281 176.333 176.600 0.023 0.000 1.046 78 E CA 0.798 57.207 56.400 0.015 0.000 0.871 78 E CB 0.182 29.879 29.700 -0.004 0.000 0.790 78 E HN 0.207 nan 8.360 nan 0.000 0.545 79 D N -0.466 119.969 120.400 0.058 0.000 2.493 79 D HA 0.071 4.712 4.640 0.001 0.000 0.235 79 D C 0.047 176.472 176.300 0.209 0.000 1.117 79 D CA -0.483 53.573 54.000 0.094 0.000 0.930 79 D CB 0.178 41.058 40.800 0.134 0.000 1.010 79 D HN 0.078 nan 8.370 nan 0.000 0.514 80 c N 2.085 120.763 118.600 0.129 0.000 3.785 80 c HA 0.359 4.930 4.570 0.001 0.000 0.312 80 c C 0.909 175.090 174.090 0.153 0.000 1.566 80 c CA -0.623 55.854 56.329 0.246 0.000 1.837 80 c CB -1.232 41.374 42.510 0.160 0.000 2.826 80 c HN 0.454 nan 8.230 nan 0.000 0.667 81 L N 2.300 123.358 121.223 -0.275 0.000 2.449 81 L HA 0.246 4.587 4.340 0.001 0.000 0.266 81 L C -1.027 175.145 176.870 -1.164 0.000 1.321 81 L CA 0.898 55.310 54.840 -0.714 0.000 1.194 81 L CB -1.168 40.291 42.059 -1.001 0.000 1.384 81 L HN 0.389 nan 8.230 nan 0.000 0.438 82 Y N 1.825 122.146 120.300 0.035 0.000 2.442 82 Y HA 0.535 5.085 4.550 0.000 0.000 0.344 82 Y C -0.037 176.145 175.900 0.470 0.000 0.976 82 Y CA -1.276 56.911 58.100 0.144 0.000 1.040 82 Y CB 1.968 40.474 38.460 0.077 0.000 1.228 82 Y HN 0.214 nan 8.280 nan 0.000 0.451 83 L N 0.682 122.185 121.223 0.468 0.000 2.313 83 L HA 0.769 5.110 4.340 0.001 0.000 0.268 83 L C -0.876 176.130 176.870 0.228 0.000 1.010 83 L CA -1.080 53.969 54.840 0.348 0.000 0.814 83 L CB 1.373 43.450 42.059 0.029 0.000 1.304 83 L HN 0.455 nan 8.230 nan 0.000 0.441 84 N N 1.256 120.130 118.700 0.290 0.000 2.240 84 N HA 0.723 5.464 4.740 0.001 0.000 0.302 84 N C -1.230 174.361 175.510 0.135 0.000 1.106 84 N CA -0.297 52.856 53.050 0.172 0.000 0.778 84 N CB 2.719 41.401 38.487 0.325 0.000 1.431 84 N HN 0.619 nan 8.380 nan 0.000 0.479 85 I N -0.157 120.377 120.570 -0.060 0.000 2.828 85 I HA 0.475 4.646 4.170 0.001 0.000 0.302 85 I C -0.927 175.201 176.117 0.017 0.000 1.101 85 I CA -0.717 60.618 61.300 0.058 0.000 1.031 85 I CB 2.736 40.630 38.000 -0.177 0.000 1.231 85 I HN 0.235 nan 8.210 nan 0.000 0.427 86 W N 4.396 125.848 121.300 0.255 0.000 2.687 86 W HA 0.503 5.163 4.660 0.001 0.000 0.328 86 W C -1.478 175.177 176.519 0.227 0.000 1.012 86 W CA -0.524 56.974 57.345 0.257 0.000 1.262 86 W CB 2.160 31.747 29.460 0.212 0.000 1.331 86 W HN 0.040 nan 8.180 nan 0.000 0.433 87 V N 5.283 125.454 119.914 0.429 0.000 2.350 87 V HA 0.285 4.405 4.120 0.001 0.000 0.285 87 V C -1.782 174.475 176.094 0.271 0.000 1.014 87 V CA -2.107 60.392 62.300 0.332 0.000 0.831 87 V CB 1.533 33.574 31.823 0.364 0.000 1.000 87 V HN 0.206 nan 8.190 nan 0.000 0.433 88 P HA 0.286 nan 4.420 nan 0.000 0.275 88 P C -1.019 176.358 177.300 0.128 0.000 1.227 88 P CA -0.110 63.083 63.100 0.155 0.000 0.781 88 P CB 1.285 33.053 31.700 0.114 0.000 0.906 89 Q N 0.748 120.611 119.800 0.106 0.000 2.544 89 Q HA 0.734 5.075 4.340 0.001 0.000 0.291 89 Q C -0.006 176.030 176.000 0.061 0.000 1.068 89 Q CA -0.691 55.163 55.803 0.086 0.000 0.785 89 Q CB 2.770 31.564 28.738 0.094 0.000 1.481 89 Q HN 0.664 nan 8.270 nan 0.000 0.430 90 G N -0.063 108.768 108.800 0.051 0.000 2.975 90 G HA2 0.484 4.445 3.960 0.001 0.000 0.291 90 G HA3 0.484 4.445 3.960 0.001 0.000 0.291 90 G C -0.119 174.801 174.900 0.034 0.000 1.334 90 G CA -0.396 44.727 45.100 0.037 0.000 0.843 90 G HN 0.361 nan 8.290 nan 0.000 0.548 91 R N -0.052 120.464 120.500 0.026 0.000 2.052 91 R HA 0.172 4.513 4.340 0.001 0.000 0.224 91 R C 2.459 178.773 176.300 0.023 0.000 1.149 91 R CA 1.239 57.352 56.100 0.023 0.000 0.962 91 R CB -0.468 29.843 30.300 0.018 0.000 0.856 91 R HN 0.501 nan 8.270 nan 0.000 0.433 92 K N 0.429 120.841 120.400 0.021 0.000 2.169 92 K HA -0.243 4.077 4.320 0.001 0.000 0.213 92 K C 0.251 176.864 176.600 0.023 0.000 1.050 92 K CA 1.737 58.036 56.287 0.020 0.000 0.935 92 K CB -0.227 32.285 32.500 0.018 0.000 0.722 92 K HN 0.294 nan 8.250 nan 0.000 0.468 93 Q N -1.915 117.902 119.800 0.028 0.000 3.012 93 Q HA 0.079 4.419 4.340 0.001 0.000 0.285 93 Q C -1.537 174.488 176.000 0.041 0.000 0.922 93 Q CA -0.414 55.408 55.803 0.032 0.000 0.813 93 Q CB 1.222 29.977 28.738 0.028 0.000 1.779 93 Q HN 0.104 nan 8.270 nan 0.000 0.500 94 V N -0.166 119.776 119.914 0.048 0.000 2.740 94 V HA 0.378 4.499 4.120 0.001 0.000 0.303 94 V C 0.240 176.371 176.094 0.062 0.000 1.054 94 V CA -0.218 62.120 62.300 0.063 0.000 1.106 94 V CB 1.101 32.966 31.823 0.069 0.000 0.957 94 V HN 0.676 nan 8.190 nan 0.000 0.486 95 S N 5.439 121.184 115.700 0.075 0.000 2.579 95 S HA 0.514 4.985 4.470 0.001 0.000 0.275 95 S C 0.072 174.713 174.600 0.069 0.000 1.345 95 S CA -0.544 57.697 58.200 0.069 0.000 1.031 95 S CB 0.219 63.467 63.200 0.080 0.000 0.892 95 S HN 0.857 nan 8.310 nan 0.000 0.529 96 R N 0.619 121.152 120.500 0.054 0.000 2.739 96 R HA 0.294 4.635 4.340 0.001 0.000 0.271 96 R C -1.380 174.942 176.300 0.038 0.000 1.010 96 R CA -0.767 55.362 56.100 0.049 0.000 0.897 96 R CB 1.000 31.322 30.300 0.038 0.000 1.236 96 R HN 0.618 nan 8.270 nan 0.000 0.466 97 D N 0.864 121.284 120.400 0.033 0.000 2.772 97 D HA -0.159 4.481 4.640 0.001 0.000 0.233 97 D C -0.329 175.983 176.300 0.021 0.000 1.143 97 D CA 0.975 54.987 54.000 0.021 0.000 0.700 97 D CB -0.988 39.820 40.800 0.013 0.000 1.076 97 D HN 0.302 nan 8.370 nan 0.000 0.430 98 L N -0.434 120.810 121.223 0.034 0.000 2.375 98 L HA 0.407 4.747 4.340 0.001 0.000 0.271 98 L C -1.848 175.035 176.870 0.022 0.000 1.107 98 L CA -1.763 53.096 54.840 0.033 0.000 0.806 98 L CB 0.614 42.707 42.059 0.056 0.000 1.146 98 L HN -0.312 nan 8.230 nan 0.000 0.447 99 P HA 0.084 nan 4.420 nan 0.000 0.276 99 P C -0.894 176.414 177.300 0.012 0.000 1.230 99 P CA -0.151 62.941 63.100 -0.012 0.000 0.776 99 P CB 0.923 32.598 31.700 -0.041 0.000 0.888 100 V N 5.360 125.286 119.914 0.020 0.000 2.370 100 V HA 0.348 4.469 4.120 0.001 0.000 0.279 100 V C 0.292 176.429 176.094 0.073 0.000 1.029 100 V CA -0.168 62.167 62.300 0.058 0.000 0.870 100 V CB 0.936 32.796 31.823 0.061 0.000 0.984 100 V HN 0.512 nan 8.190 nan 0.000 0.451 101 M N 6.217 125.883 119.600 0.110 0.000 2.072 101 M HA 0.546 5.027 4.480 0.001 0.000 0.331 101 M C -0.855 175.708 176.300 0.438 0.000 1.004 101 M CA -0.154 55.235 55.300 0.149 0.000 0.952 101 M CB 1.396 33.922 32.600 -0.123 0.000 1.511 101 M HN 0.456 nan 8.290 nan 0.000 0.422 102 I N 3.095 123.967 120.570 0.504 0.000 2.353 102 I HA 0.319 4.490 4.170 0.001 0.000 0.293 102 I C -0.618 175.907 176.117 0.680 0.000 0.992 102 I CA -0.545 61.079 61.300 0.539 0.000 1.268 102 I CB 1.112 39.301 38.000 0.316 0.000 1.387 102 I HN 0.717 nan 8.210 nan 0.000 0.478 103 W N 8.105 129.581 121.300 0.292 0.000 2.496 103 W HA 0.640 5.300 4.660 -0.000 0.000 0.327 103 W C -1.698 174.725 176.519 -0.160 0.000 1.086 103 W CA -0.761 56.410 57.345 -0.290 0.000 1.222 103 W CB 1.394 30.611 29.460 -0.406 0.000 1.304 103 W HN 0.325 nan 8.180 nan 0.000 0.547 104 I N 7.961 127.814 120.570 -1.195 0.000 2.439 104 I HA 0.088 4.259 4.170 0.001 0.000 0.283 104 I C -0.540 174.689 176.117 -1.479 0.000 1.023 104 I CA -1.149 59.511 61.300 -1.067 0.000 1.100 104 I CB 1.144 38.780 38.000 -0.608 0.000 1.238 104 I HN 0.291 nan 8.210 nan 0.000 0.445 105 Y N 4.500 124.219 120.300 -0.969 0.000 2.411 105 Y HA 0.655 5.205 4.550 0.001 0.000 0.333 105 Y C 0.851 176.574 175.900 -0.296 0.000 1.186 105 Y CA -0.772 56.943 58.100 -0.643 0.000 1.381 105 Y CB -0.028 38.232 38.460 -0.334 0.000 1.273 105 Y HN 0.582 nan 8.280 nan 0.000 0.546 106 G N 0.522 109.334 108.800 0.020 0.000 2.485 106 G HA2 0.423 4.383 3.960 0.001 0.000 0.260 106 G HA3 0.423 4.383 3.960 0.001 0.000 0.260 106 G C 0.607 175.587 174.900 0.134 0.000 1.459 106 G CA -0.662 44.450 45.100 0.021 0.000 1.060 106 G HN 1.813 nan 8.290 nan 0.000 0.546 107 G N -3.236 105.604 108.800 0.066 0.000 2.200 107 G HA2 0.354 4.314 3.960 0.001 0.000 0.145 107 G HA3 0.354 4.314 3.960 0.001 0.000 0.145 107 G C 0.764 175.698 174.900 0.057 0.000 1.021 107 G CA 0.936 46.091 45.100 0.091 0.000 0.720 107 G HN 2.277 nan 8.290 nan 0.000 0.494 108 A N -0.980 121.813 122.820 -0.045 0.000 2.799 108 A HA -0.023 4.297 4.320 0.001 0.000 0.287 108 A C 1.289 179.012 177.584 0.232 0.000 1.484 108 A CA 1.406 53.456 52.037 0.021 0.000 0.813 108 A CB -2.346 16.694 19.000 0.068 0.000 1.009 108 A HN 1.948 nan 8.150 nan 0.000 0.545 109 F N -5.287 114.781 119.950 0.196 0.000 3.069 109 F HA -0.266 4.261 4.527 0.000 0.000 0.285 109 F C 1.038 177.015 175.800 0.296 0.000 0.827 109 F CA 1.253 59.388 58.000 0.224 0.000 1.108 109 F CB -1.673 37.233 39.000 -0.158 0.000 1.252 109 F HN 0.545 nan 8.300 nan 0.000 0.483 110 L N -0.655 120.778 121.223 0.350 0.000 2.685 110 L HA 0.430 4.770 4.340 0.001 0.000 0.235 110 L C 0.653 177.661 176.870 0.229 0.000 1.070 110 L CA 1.173 56.195 54.840 0.303 0.000 0.888 110 L CB 0.285 42.491 42.059 0.245 0.000 1.203 110 L HN 0.213 nan 8.230 nan 0.000 0.499 111 M N -2.061 117.649 119.600 0.183 0.000 3.385 111 M HA 0.695 5.175 4.480 0.001 0.000 0.286 111 M C -0.608 175.714 176.300 0.036 0.000 1.381 111 M CA 0.007 55.375 55.300 0.113 0.000 0.813 111 M CB 1.326 33.999 32.600 0.121 0.000 1.731 111 M HN 0.026 nan 8.290 nan 0.000 0.460 112 G N 1.091 109.805 108.800 -0.143 0.000 2.576 112 G HA2 0.307 4.267 3.960 0.001 0.000 0.686 112 G HA3 0.307 4.267 3.960 0.001 0.000 0.686 112 G C -1.127 173.142 174.900 -1.053 0.000 1.242 112 G CA -0.217 44.604 45.100 -0.466 0.000 0.819 112 G HN 1.653 nan 8.290 nan 0.000 0.655 113 S N -0.649 114.263 115.700 -1.313 0.000 2.697 113 S HA 0.815 5.286 4.470 0.001 0.000 0.289 113 S C 1.146 175.166 174.600 -0.966 0.000 1.149 113 S CA 0.202 57.658 58.200 -1.240 0.000 0.850 113 S CB 1.692 64.153 63.200 -1.231 0.000 1.151 113 S HN 2.161 nan 8.310 nan 0.000 0.491 114 G N -0.220 108.315 108.800 -0.442 0.000 2.712 114 G HA2 0.045 4.006 3.960 0.001 0.000 0.212 114 G HA3 0.045 4.006 3.960 0.001 0.000 0.212 114 G C 0.970 175.889 174.900 0.032 0.000 1.142 114 G CA 0.377 45.521 45.100 0.074 0.000 0.789 114 G HN 0.918 nan 8.290 nan 0.000 0.535 115 H N -0.539 118.346 119.070 -0.309 0.000 2.705 115 H HA 0.274 4.830 4.556 0.001 0.000 0.269 115 H C 1.463 176.500 175.328 -0.485 0.000 0.998 115 H CA 0.066 55.711 56.048 -0.672 0.000 1.193 115 H CB -0.379 28.596 29.762 -1.310 0.000 1.485 115 H HN 0.276 nan 8.280 nan 0.000 0.521 116 G N 1.585 109.988 108.800 -0.661 0.000 2.750 116 G HA2 -0.239 3.722 3.960 0.001 0.000 0.333 116 G HA3 -0.239 3.722 3.960 0.001 0.000 0.333 116 G C 0.303 174.856 174.900 -0.579 0.000 1.363 116 G CA 0.615 45.205 45.100 -0.849 0.000 0.919 116 G HN 0.852 nan 8.290 nan 0.000 0.559 117 A N 0.084 122.582 122.820 -0.537 0.000 2.492 117 A HA 0.512 4.832 4.320 0.001 0.000 0.236 117 A C 0.672 178.107 177.584 -0.248 0.000 1.078 117 A CA 1.188 53.047 52.037 -0.297 0.000 0.773 117 A CB -0.008 18.850 19.000 -0.237 0.000 1.023 117 A HN 2.282 nan 8.150 nan 0.000 0.504 118 N N -1.175 117.453 118.700 -0.120 0.000 2.264 118 N HA 0.550 5.290 4.740 0.001 0.000 0.288 118 N C -0.969 174.548 175.510 0.011 0.000 1.094 118 N CA -0.727 52.293 53.050 -0.050 0.000 0.817 118 N CB 1.321 39.782 38.487 -0.042 0.000 1.604 118 N HN 0.667 nan 8.380 nan 0.000 0.473 119 F N 2.175 122.078 119.950 -0.078 0.000 2.421 119 F HA 0.622 5.150 4.527 0.002 0.000 0.337 119 F C -0.268 175.515 175.800 -0.028 0.000 1.105 119 F CA -1.278 56.689 58.000 -0.054 0.000 1.049 119 F CB 0.645 39.615 39.000 -0.049 0.000 1.139 119 F HN 0.433 nan 8.300 nan 0.000 0.479 120 L N 4.686 125.309 121.223 -1.001 0.000 4.111 120 L HA -0.318 4.023 4.340 0.001 0.000 0.508 120 L C 0.710 177.119 176.870 -0.768 0.000 1.131 120 L CA 0.766 55.105 54.840 -0.836 0.000 0.614 120 L CB -1.328 40.245 42.059 -0.809 0.000 0.820 120 L HN 0.893 nan 8.230 nan 0.000 0.967 121 N N 3.373 121.876 118.700 -0.328 0.000 3.046 121 N HA -0.256 4.484 4.740 0.001 0.000 0.301 121 N C 0.031 175.527 175.510 -0.023 0.000 1.069 121 N CA 1.019 53.986 53.050 -0.138 0.000 0.855 121 N CB -0.625 37.818 38.487 -0.073 0.000 0.940 121 N HN 0.662 nan 8.380 nan 0.000 0.623 122 N N -0.715 118.008 118.700 0.038 0.000 3.997 122 N HA 0.148 4.888 4.740 0.001 0.000 0.209 122 N C -1.569 174.052 175.510 0.186 0.000 1.108 122 N CA -0.473 52.702 53.050 0.209 0.000 1.020 122 N CB 0.250 39.017 38.487 0.466 0.000 1.628 122 N HN 0.075 nan 8.380 nan 0.000 0.588 123 Y N 0.995 121.386 120.300 0.152 0.000 2.568 123 Y HA 0.641 5.191 4.550 0.001 0.000 0.327 123 Y C 0.804 176.643 175.900 -0.103 0.000 1.163 123 Y CA -0.658 57.468 58.100 0.042 0.000 1.219 123 Y CB 0.814 39.330 38.460 0.094 0.000 1.308 123 Y HN 0.609 nan 8.280 nan 0.000 0.503 124 L N -0.005 121.026 121.223 -0.321 0.000 2.095 124 L HA 0.107 4.448 4.340 0.001 0.000 0.204 124 L C 0.190 176.579 176.870 -0.802 0.000 1.080 124 L CA 1.572 56.049 54.840 -0.606 0.000 0.759 124 L CB -0.459 41.055 42.059 -0.908 0.000 0.914 124 L HN 0.689 nan 8.230 nan 0.000 0.439 125 Y N 0.568 120.548 120.300 -0.535 0.000 2.850 125 Y HA 0.381 4.932 4.550 0.001 0.000 0.360 125 Y C -0.341 175.424 175.900 -0.226 0.000 1.174 125 Y CA -1.831 55.862 58.100 -0.679 0.000 1.373 125 Y CB -0.465 37.761 38.460 -0.391 0.000 1.487 125 Y HN 0.054 nan 8.280 nan 0.000 0.553 126 D N 0.431 120.772 120.400 -0.100 0.000 2.462 126 D HA 0.227 4.867 4.640 0.001 0.000 0.245 126 D C 1.089 177.032 176.300 -0.594 0.000 1.122 126 D CA -0.301 53.528 54.000 -0.284 0.000 0.864 126 D CB 1.624 42.436 40.800 0.020 0.000 1.098 126 D HN 0.619 nan 8.370 nan 0.000 0.541 127 G N 3.090 111.028 108.800 -1.437 0.000 2.882 127 G HA2 -0.181 3.780 3.960 0.001 0.000 0.206 127 G HA3 -0.181 3.780 3.960 0.001 0.000 0.206 127 G C 1.087 175.525 174.900 -0.769 0.000 1.155 127 G CA 0.150 44.749 45.100 -0.834 0.000 0.800 127 G HN 0.621 nan 8.290 nan 0.000 0.524 128 E N 0.504 120.142 120.200 -0.935 0.000 2.049 128 E HA -0.198 4.153 4.350 0.001 0.000 0.198 128 E C 2.088 178.612 176.600 -0.128 0.000 1.007 128 E CA 1.287 57.498 56.400 -0.316 0.000 0.809 128 E CB 0.008 29.682 29.700 -0.043 0.000 0.749 128 E HN 0.338 nan 8.360 nan 0.000 0.450 129 E N 0.413 120.541 120.200 -0.121 0.000 2.077 129 E HA -0.169 4.181 4.350 0.001 0.000 0.193 129 E C 2.302 178.829 176.600 -0.120 0.000 0.989 129 E CA 0.916 57.263 56.400 -0.087 0.000 0.800 129 E CB -0.258 29.415 29.700 -0.046 0.000 0.746 129 E HN 0.459 nan 8.360 nan 0.000 0.452 130 I N 1.169 121.636 120.570 -0.170 0.000 2.142 130 I HA -0.272 3.898 4.170 0.001 0.000 0.240 130 I C 2.542 178.594 176.117 -0.109 0.000 1.078 130 I CA 1.140 62.330 61.300 -0.184 0.000 1.343 130 I CB -0.405 37.415 38.000 -0.300 0.000 1.046 130 I HN 0.005 nan 8.210 nan 0.000 0.405 131 A N 0.748 123.525 122.820 -0.073 0.000 1.917 131 A HA -0.292 4.029 4.320 0.001 0.000 0.219 131 A C 2.428 180.025 177.584 0.022 0.000 1.182 131 A CA 2.891 54.942 52.037 0.023 0.000 0.633 131 A CB -1.296 17.783 19.000 0.132 0.000 0.819 131 A HN 0.563 nan 8.150 nan 0.000 0.448 132 T N -3.121 111.433 114.554 0.001 0.000 2.978 132 T HA 0.007 4.358 4.350 0.001 0.000 0.262 132 T C 1.861 176.531 174.700 -0.049 0.000 1.063 132 T CA 1.070 63.166 62.100 -0.006 0.000 1.140 132 T CB -0.217 68.649 68.868 -0.003 0.000 0.886 132 T HN 0.489 nan 8.240 nan 0.000 0.470 133 R N 0.525 120.973 120.500 -0.087 0.000 2.246 133 R HA 0.285 4.626 4.340 0.001 0.000 0.199 133 R C 2.188 178.436 176.300 -0.086 0.000 0.984 133 R CA 0.690 56.719 56.100 -0.119 0.000 1.015 133 R CB 0.087 30.279 30.300 -0.181 0.000 0.930 133 R HN 0.531 nan 8.270 nan 0.000 0.475 134 G N -0.165 108.598 108.800 -0.062 0.000 3.441 134 G HA2 -0.065 3.895 3.960 0.001 0.000 0.263 134 G HA3 -0.065 3.895 3.960 0.001 0.000 0.263 134 G C -0.216 174.670 174.900 -0.024 0.000 1.014 134 G CA -0.472 44.602 45.100 -0.043 0.000 0.833 134 G HN 0.228 nan 8.290 nan 0.000 0.514 135 N N -0.234 118.458 118.700 -0.014 0.000 2.642 135 N HA -0.169 4.572 4.740 0.001 0.000 0.269 135 N C -0.238 175.282 175.510 0.016 0.000 1.073 135 N CA 0.971 54.026 53.050 0.008 0.000 0.748 135 N CB -1.111 37.378 38.487 0.004 0.000 0.894 135 N HN 0.866 nan 8.380 nan 0.000 0.548 136 V N -1.567 118.364 119.914 0.027 0.000 3.206 136 V HA 0.687 4.808 4.120 0.001 0.000 0.305 136 V C 0.347 176.491 176.094 0.083 0.000 1.257 136 V CA -1.251 61.070 62.300 0.035 0.000 1.057 136 V CB 1.840 33.661 31.823 -0.002 0.000 1.075 136 V HN 0.112 nan 8.190 nan 0.000 0.443 137 I N 1.363 121.995 120.570 0.103 0.000 2.428 137 I HA 0.628 4.799 4.170 0.001 0.000 0.296 137 I C -0.574 175.661 176.117 0.196 0.000 0.985 137 I CA -0.891 60.510 61.300 0.168 0.000 1.260 137 I CB 1.823 39.912 38.000 0.149 0.000 1.389 137 I HN 0.446 nan 8.210 nan 0.000 0.484 138 V N 6.382 126.480 119.914 0.306 0.000 2.628 138 V HA 0.479 4.600 4.120 0.001 0.000 0.306 138 V C -0.282 176.120 176.094 0.512 0.000 1.045 138 V CA -0.665 61.861 62.300 0.376 0.000 0.905 138 V CB 2.301 34.308 31.823 0.306 0.000 0.997 138 V HN 0.413 nan 8.190 nan 0.000 0.436 139 V N 3.248 123.470 119.914 0.514 0.000 2.525 139 V HA 0.622 4.742 4.120 0.001 0.000 0.299 139 V C 0.038 176.514 176.094 0.636 0.000 1.034 139 V CA -0.424 62.177 62.300 0.502 0.000 0.863 139 V CB 2.050 34.066 31.823 0.321 0.000 0.999 139 V HN 1.049 nan 8.190 nan 0.000 0.423 140 T N 1.855 116.832 114.554 0.705 0.000 2.932 140 T HA 0.967 5.317 4.350 0.001 0.000 0.289 140 T C -0.756 174.372 174.700 0.715 0.000 1.039 140 T CA -0.668 61.857 62.100 0.709 0.000 1.024 140 T CB 2.325 71.624 68.868 0.719 0.000 1.090 140 T HN 0.983 nan 8.240 nan 0.000 0.496 141 F N -1.532 118.664 119.950 0.409 0.000 2.807 141 F HA 0.661 5.188 4.527 0.000 0.000 0.316 141 F C -1.869 174.224 175.800 0.488 0.000 1.162 141 F CA -1.380 56.852 58.000 0.386 0.000 0.910 141 F CB 0.634 39.746 39.000 0.186 0.000 1.314 141 F HN 0.489 nan 8.300 nan 0.000 0.454 142 N N 0.778 119.828 118.700 0.583 0.000 2.466 142 N HA 0.553 5.293 4.740 0.001 0.000 0.294 142 N C -1.660 174.194 175.510 0.573 0.000 1.129 142 N CA -0.396 52.923 53.050 0.448 0.000 0.931 142 N CB 1.792 40.483 38.487 0.340 0.000 1.193 142 N HN 0.821 nan 8.380 nan 0.000 0.500 143 Y N -2.280 118.216 120.300 0.326 0.000 2.513 143 Y HA 0.499 5.050 4.550 0.002 0.000 0.340 143 Y C -0.255 175.761 175.900 0.194 0.000 1.055 143 Y CA -1.290 56.968 58.100 0.264 0.000 1.020 143 Y CB 0.903 39.463 38.460 0.168 0.000 1.301 143 Y HN 0.218 nan 8.280 nan 0.000 0.453 144 R N 2.380 123.040 120.500 0.266 0.000 2.504 144 R HA 0.380 4.720 4.340 0.001 0.000 0.291 144 R C -0.144 176.253 176.300 0.161 0.000 0.974 144 R CA 0.261 56.435 56.100 0.125 0.000 1.077 144 R CB 0.296 30.623 30.300 0.045 0.000 0.926 144 R HN 0.692 nan 8.270 nan 0.000 0.407 145 V N 0.281 120.293 119.914 0.163 0.000 3.181 145 V HA 0.885 5.006 4.120 0.001 0.000 0.314 145 V C 0.795 177.086 176.094 0.329 0.000 1.173 145 V CA -0.257 62.266 62.300 0.371 0.000 1.052 145 V CB 1.215 33.215 31.823 0.294 0.000 1.123 145 V HN 0.974 nan 8.190 nan 0.000 0.454 146 G N 0.807 109.896 108.800 0.480 0.000 2.633 146 G HA2 -0.176 3.784 3.960 0.001 0.000 0.263 146 G HA3 -0.176 3.784 3.960 0.001 0.000 0.263 146 G C -1.448 173.590 174.900 0.231 0.000 1.310 146 G CA 0.350 45.664 45.100 0.357 0.000 0.914 146 G HN 0.796 nan 8.290 nan 0.000 0.569 147 P HA -0.102 nan 4.420 nan 0.000 0.216 147 P C 2.197 179.424 177.300 -0.121 0.000 1.154 147 P CA 1.869 64.721 63.100 -0.413 0.000 0.865 147 P CB -0.096 31.287 31.700 -0.530 0.000 0.789 148 L N -2.289 118.897 121.223 -0.062 0.000 2.362 148 L HA -0.024 4.316 4.340 0.001 0.000 0.219 148 L C 2.302 179.136 176.870 -0.060 0.000 1.134 148 L CA 1.440 56.239 54.840 -0.068 0.000 0.807 148 L CB -0.956 41.075 42.059 -0.048 0.000 0.927 148 L HN 0.109 nan 8.230 nan 0.000 0.447 149 G N -1.801 106.977 108.800 -0.036 0.000 2.762 149 G HA2 0.021 3.981 3.960 0.001 0.000 0.209 149 G HA3 0.021 3.981 3.960 0.001 0.000 0.209 149 G C 0.820 175.352 174.900 -0.614 0.000 1.134 149 G CA 0.004 44.936 45.100 -0.280 0.000 0.781 149 G HN 0.292 nan 8.290 nan 0.000 0.528 150 F N -0.701 119.415 119.950 0.276 0.000 2.915 150 F HA 0.435 4.962 4.527 0.001 0.000 0.347 150 F C 0.267 176.234 175.800 0.280 0.000 1.104 150 F CA -1.001 57.133 58.000 0.223 0.000 1.126 150 F CB 0.383 39.473 39.000 0.151 0.000 1.145 150 F HN -0.120 nan 8.300 nan 0.000 0.541 151 L N 1.873 123.336 121.223 0.400 0.000 2.578 151 L HA 0.292 4.633 4.340 0.001 0.000 0.279 151 L C 0.469 177.559 176.870 0.367 0.000 1.227 151 L CA 0.374 55.443 54.840 0.382 0.000 0.900 151 L CB 0.140 42.292 42.059 0.155 0.000 1.144 151 L HN 0.253 nan 8.230 nan 0.000 0.496 152 S N 2.041 117.939 115.700 0.331 0.000 2.790 152 S HA 0.760 5.230 4.470 0.001 0.000 0.292 152 S C 0.139 174.863 174.600 0.206 0.000 1.197 152 S CA 0.185 58.528 58.200 0.238 0.000 0.851 152 S CB 1.568 64.869 63.200 0.168 0.000 1.217 152 S HN 0.774 nan 8.310 nan 0.000 0.526 153 T N -2.877 111.768 114.554 0.151 0.000 3.186 153 T HA 0.490 4.841 4.350 0.001 0.000 0.292 153 T C 1.352 176.111 174.700 0.099 0.000 0.915 153 T CA 0.729 62.907 62.100 0.130 0.000 0.902 153 T CB -0.042 68.892 68.868 0.109 0.000 1.192 153 T HN 2.263 nan 8.240 nan 0.000 0.563 154 G N 2.485 111.336 108.800 0.084 0.000 2.148 154 G HA2 -0.163 3.798 3.960 0.001 0.000 0.254 154 G HA3 -0.163 3.798 3.960 0.001 0.000 0.254 154 G C -0.331 174.599 174.900 0.050 0.000 0.981 154 G CA 0.497 45.633 45.100 0.059 0.000 0.670 154 G HN 1.059 nan 8.290 nan 0.000 0.528 155 D N -2.270 118.164 120.400 0.057 0.000 2.592 155 D HA 0.740 5.380 4.640 0.001 0.000 0.263 155 D C 1.048 177.380 176.300 0.052 0.000 1.132 155 D CA 0.103 54.132 54.000 0.049 0.000 0.996 155 D CB 0.805 41.634 40.800 0.049 0.000 1.442 155 D HN 0.647 nan 8.370 nan 0.000 0.486 156 A N 0.021 122.870 122.820 0.047 0.000 2.168 156 A HA -0.103 4.218 4.320 0.001 0.000 0.215 156 A C 1.486 179.106 177.584 0.061 0.000 1.152 156 A CA 0.722 52.789 52.037 0.051 0.000 0.716 156 A CB -0.812 18.214 19.000 0.043 0.000 0.794 156 A HN 0.541 nan 8.150 nan 0.000 0.465 157 N N -0.629 118.108 118.700 0.062 0.000 2.106 157 N HA -0.072 4.669 4.740 0.001 0.000 0.188 157 N C 0.011 175.575 175.510 0.090 0.000 1.029 157 N CA 1.052 54.142 53.050 0.065 0.000 0.848 157 N CB -0.090 38.431 38.487 0.057 0.000 1.007 157 N HN 0.379 nan 8.380 nan 0.000 0.423 158 L N 2.236 123.523 121.223 0.108 0.000 2.480 158 L HA 0.319 4.660 4.340 0.001 0.000 0.253 158 L C -1.913 175.044 176.870 0.146 0.000 1.324 158 L CA -1.571 53.366 54.840 0.163 0.000 0.916 158 L CB 1.540 43.694 42.059 0.159 0.000 1.160 158 L HN -0.129 nan 8.230 nan 0.000 0.503 159 P HA 0.002 nan 4.420 nan 0.000 0.218 159 P C 0.749 178.013 177.300 -0.060 0.000 1.148 159 P CA 1.476 64.590 63.100 0.023 0.000 0.822 159 P CB 0.418 32.120 31.700 0.003 0.000 0.784 160 G N 0.295 108.991 108.800 -0.173 0.000 2.660 160 G HA2 -0.222 3.738 3.960 0.001 0.000 0.215 160 G HA3 -0.222 3.738 3.960 0.001 0.000 0.215 160 G C -0.159 174.257 174.900 -0.807 0.000 1.345 160 G CA -0.050 44.809 45.100 -0.401 0.000 0.877 160 G HN 0.228 nan 8.290 nan 0.000 0.549 161 N N -2.324 116.072 118.700 -0.506 0.000 2.850 161 N HA -0.211 4.529 4.740 0.001 0.000 0.249 161 N C 0.905 176.025 175.510 -0.649 0.000 1.060 161 N CA 1.959 54.760 53.050 -0.415 0.000 0.825 161 N CB -1.608 36.682 38.487 -0.329 0.000 1.132 161 N HN 0.743 nan 8.380 nan 0.000 0.564 162 Y N -0.486 119.636 120.300 -0.297 0.000 2.114 162 Y HA -0.119 4.433 4.550 0.003 0.000 0.282 162 Y C 2.642 178.345 175.900 -0.327 0.000 1.165 162 Y CA 1.705 59.632 58.100 -0.287 0.000 1.148 162 Y CB -0.892 37.433 38.460 -0.225 0.000 0.972 162 Y HN 0.261 nan 8.280 nan 0.000 0.504 163 G N 0.207 108.747 108.800 -0.434 0.000 2.469 163 G HA2 -0.232 3.729 3.960 0.001 0.000 0.220 163 G HA3 -0.232 3.729 3.960 0.001 0.000 0.220 163 G C 1.626 176.439 174.900 -0.144 0.000 1.136 163 G CA 1.305 46.257 45.100 -0.247 0.000 0.759 163 G HN 0.394 nan 8.290 nan 0.000 0.562 164 L N -0.699 120.375 121.223 -0.249 0.000 2.131 164 L HA 0.070 4.410 4.340 0.001 0.000 0.206 164 L C 3.073 179.587 176.870 -0.594 0.000 1.087 164 L CA 0.630 55.240 54.840 -0.384 0.000 0.767 164 L CB -0.306 41.440 42.059 -0.522 0.000 0.917 164 L HN 0.140 nan 8.230 nan 0.000 0.441 165 R N -0.073 120.044 120.500 -0.638 0.000 2.148 165 R HA -0.103 4.237 4.340 0.001 0.000 0.223 165 R C 1.699 177.970 176.300 -0.048 0.000 1.088 165 R CA 0.878 56.732 56.100 -0.409 0.000 0.985 165 R CB -0.161 29.936 30.300 -0.338 0.000 0.880 165 R HN 0.343 nan 8.270 nan 0.000 0.451 166 D N 0.871 121.278 120.400 0.012 0.000 2.097 166 D HA -0.148 4.493 4.640 0.001 0.000 0.197 166 D C 1.903 178.308 176.300 0.175 0.000 0.984 166 D CA 1.233 55.367 54.000 0.222 0.000 0.826 166 D CB -0.122 40.876 40.800 0.330 0.000 0.973 166 D HN 0.239 nan 8.370 nan 0.000 0.460 167 Q N -0.476 119.380 119.800 0.093 0.000 2.096 167 Q HA -0.219 4.122 4.340 0.001 0.000 0.204 167 Q C 2.089 178.053 176.000 -0.060 0.000 0.982 167 Q CA 1.516 57.344 55.803 0.042 0.000 0.850 167 Q CB -0.234 28.498 28.738 -0.011 0.000 0.901 167 Q HN 0.443 nan 8.270 nan 0.000 0.422 168 H N 0.113 119.162 119.070 -0.034 0.000 2.353 168 H HA -0.091 4.465 4.556 0.001 0.000 0.300 168 H C 1.806 177.134 175.328 0.000 0.000 1.090 168 H CA 1.687 57.766 56.048 0.052 0.000 1.327 168 H CB 0.065 29.940 29.762 0.189 0.000 1.383 168 H HN 0.111 nan 8.280 nan 0.000 0.508 169 M N 0.049 119.567 119.600 -0.136 0.000 2.117 169 M HA -0.071 4.410 4.480 0.001 0.000 0.262 169 M C 2.593 178.762 176.300 -0.219 0.000 1.065 169 M CA 1.418 56.664 55.300 -0.091 0.000 1.114 169 M CB -1.180 31.559 32.600 0.231 0.000 1.361 169 M HN 0.516 nan 8.290 nan 0.000 0.408 170 A N 0.509 122.922 122.820 -0.678 0.000 1.898 170 A HA -0.107 4.213 4.320 0.001 0.000 0.216 170 A C 2.203 179.432 177.584 -0.592 0.000 1.181 170 A CA 1.246 52.558 52.037 -1.208 0.000 0.620 170 A CB -0.791 16.828 19.000 -2.301 0.000 0.819 170 A HN 0.449 nan 8.150 nan 0.000 0.442 171 I N -0.179 120.121 120.570 -0.450 0.000 2.226 171 I HA -0.281 3.890 4.170 0.001 0.000 0.245 171 I C 2.970 179.002 176.117 -0.143 0.000 1.100 171 I CA 1.073 62.243 61.300 -0.218 0.000 1.374 171 I CB -0.388 37.552 38.000 -0.100 0.000 1.057 171 I HN 0.355 nan 8.210 nan 0.000 0.413 172 A N 0.099 122.796 122.820 -0.205 0.000 1.902 172 A HA -0.274 4.046 4.320 0.001 0.000 0.217 172 A C 2.118 179.670 177.584 -0.054 0.000 1.181 172 A CA 1.524 53.469 52.037 -0.153 0.000 0.623 172 A CB -1.201 17.642 19.000 -0.261 0.000 0.818 172 A HN 0.653 nan 8.150 nan 0.000 0.443 173 W N 0.605 121.799 121.300 -0.177 0.000 2.355 173 W HA -0.200 4.461 4.660 0.003 0.000 0.309 173 W C 2.049 178.498 176.519 -0.116 0.000 1.206 173 W CA 2.434 59.713 57.345 -0.109 0.000 1.284 173 W CB -0.301 29.116 29.460 -0.072 0.000 1.145 173 W HN 0.112 nan 8.180 nan 0.000 0.502 174 V N 1.249 121.292 119.914 0.215 0.000 2.392 174 V HA -0.346 3.774 4.120 0.001 0.000 0.249 174 V C 2.309 178.346 176.094 -0.094 0.000 1.059 174 V CA 2.322 64.677 62.300 0.091 0.000 1.051 174 V CB -1.175 30.691 31.823 0.072 0.000 0.658 174 V HN 0.123 nan 8.190 nan 0.000 0.455 175 K N 0.861 121.207 120.400 -0.090 0.000 2.026 175 K HA -0.144 4.177 4.320 0.001 0.000 0.208 175 K C 2.216 178.726 176.600 -0.151 0.000 1.048 175 K CA 1.668 57.898 56.287 -0.095 0.000 0.929 175 K CB -0.342 32.117 32.500 -0.069 0.000 0.713 175 K HN 0.384 nan 8.250 nan 0.000 0.439 176 R N -0.248 120.116 120.500 -0.227 0.000 2.153 176 R HA 0.092 4.433 4.340 0.001 0.000 0.218 176 R C 1.387 177.462 176.300 -0.374 0.000 1.072 176 R CA 1.240 57.177 56.100 -0.271 0.000 0.990 176 R CB -0.036 30.096 30.300 -0.280 0.000 0.889 176 R HN 0.283 nan 8.270 nan 0.000 0.452 177 N N -0.246 118.108 118.700 -0.577 0.000 2.382 177 N HA 0.002 4.743 4.740 0.001 0.000 0.200 177 N C 1.419 176.778 175.510 -0.252 0.000 1.122 177 N CA 0.082 52.778 53.050 -0.591 0.000 0.870 177 N CB 0.320 38.036 38.487 -1.285 0.000 1.176 177 N HN -0.012 nan 8.380 nan 0.000 0.474 178 I N 2.752 123.194 120.570 -0.212 0.000 2.300 178 I HA -0.243 3.928 4.170 0.001 0.000 0.252 178 I C 2.188 178.368 176.117 0.105 0.000 1.119 178 I CA 0.724 62.016 61.300 -0.013 0.000 1.384 178 I CB -0.403 37.579 38.000 -0.031 0.000 1.062 178 I HN 0.091 nan 8.210 nan 0.000 0.426 179 A N 0.072 122.909 122.820 0.029 0.000 1.978 179 A HA -0.161 4.160 4.320 0.001 0.000 0.220 179 A C 2.483 180.102 177.584 0.058 0.000 1.170 179 A CA 1.781 53.839 52.037 0.036 0.000 0.636 179 A CB -1.118 17.879 19.000 -0.005 0.000 0.810 179 A HN 0.493 nan 8.150 nan 0.000 0.448 180 A N -1.616 121.236 122.820 0.054 0.000 2.070 180 A HA 0.072 4.393 4.320 0.001 0.000 0.220 180 A C 1.579 179.099 177.584 -0.107 0.000 1.159 180 A CA 1.249 53.262 52.037 -0.040 0.000 0.656 180 A CB -0.607 18.314 19.000 -0.131 0.000 0.800 180 A HN 0.488 nan 8.150 nan 0.000 0.453 181 F N -1.317 118.602 119.950 -0.052 0.000 2.727 181 F HA 0.382 4.909 4.527 0.000 0.000 0.302 181 F C 1.728 177.538 175.800 0.017 0.000 1.097 181 F CA 0.458 58.431 58.000 -0.044 0.000 1.330 181 F CB 0.301 39.219 39.000 -0.137 0.000 1.084 181 F HN 0.323 nan 8.300 nan 0.000 0.578 182 G N 0.093 108.994 108.800 0.168 0.000 2.143 182 G HA2 -0.066 3.894 3.960 0.001 0.000 0.175 182 G HA3 -0.066 3.894 3.960 0.001 0.000 0.175 182 G C 0.421 175.382 174.900 0.101 0.000 1.004 182 G CA -0.384 44.787 45.100 0.118 0.000 0.671 182 G HN 0.700 nan 8.290 nan 0.000 0.512 183 G N -0.724 108.135 108.800 0.099 0.000 2.461 183 G HA2 0.529 4.489 3.960 0.001 0.000 0.329 183 G HA3 0.529 4.489 3.960 0.001 0.000 0.329 183 G C -1.023 173.898 174.900 0.035 0.000 1.170 183 G CA -0.031 45.108 45.100 0.065 0.000 0.935 183 G HN 0.178 nan 8.290 nan 0.000 0.492 184 D N 0.933 121.345 120.400 0.021 0.000 2.428 184 D HA 0.318 4.959 4.640 0.001 0.000 0.221 184 D C -1.444 174.854 176.300 -0.004 0.000 1.123 184 D CA -2.233 51.770 54.000 0.004 0.000 0.869 184 D CB 1.752 42.551 40.800 -0.003 0.000 1.032 184 D HN -0.065 nan 8.370 nan 0.000 0.506 185 P HA -0.094 nan 4.420 nan 0.000 0.220 185 P C 0.387 177.675 177.300 -0.020 0.000 1.144 185 P CA 0.801 63.888 63.100 -0.022 0.000 0.800 185 P CB 0.268 31.948 31.700 -0.034 0.000 0.772 186 N N -1.234 117.455 118.700 -0.019 0.000 2.276 186 N HA 0.023 4.763 4.740 0.001 0.000 0.212 186 N C 0.201 175.695 175.510 -0.027 0.000 1.127 186 N CA 0.333 53.371 53.050 -0.021 0.000 0.834 186 N CB -0.325 38.150 38.487 -0.020 0.000 1.014 186 N HN 0.065 nan 8.380 nan 0.000 0.491 187 N N 0.913 119.597 118.700 -0.026 0.000 2.672 187 N HA 0.277 5.018 4.740 0.001 0.000 0.295 187 N C -1.285 174.206 175.510 -0.033 0.000 1.924 187 N CA -0.158 52.867 53.050 -0.042 0.000 0.851 187 N CB 0.235 38.694 38.487 -0.046 0.000 1.281 187 N HN 0.034 nan 8.380 nan 0.000 0.494 188 I N 0.810 121.369 120.570 -0.017 0.000 2.331 188 I HA 0.245 4.415 4.170 0.001 0.000 0.292 188 I C 0.018 176.145 176.117 0.018 0.000 0.998 188 I CA -0.098 61.209 61.300 0.012 0.000 1.267 188 I CB 1.440 39.455 38.000 0.026 0.000 1.386 188 I HN -0.009 nan 8.210 nan 0.000 0.476 189 T N 7.518 122.095 114.554 0.038 0.000 2.786 189 T HA 0.536 4.886 4.350 0.001 0.000 0.283 189 T C -0.187 174.634 174.700 0.201 0.000 0.992 189 T CA -0.491 61.649 62.100 0.068 0.000 0.954 189 T CB 0.963 69.821 68.868 -0.018 0.000 0.934 189 T HN 0.264 nan 8.240 nan 0.000 0.440 190 L N 4.960 126.332 121.223 0.247 0.000 2.307 190 L HA 0.758 5.099 4.340 0.001 0.000 0.282 190 L C -0.413 176.738 176.870 0.468 0.000 1.051 190 L CA -0.996 54.048 54.840 0.340 0.000 0.804 190 L CB 0.704 42.888 42.059 0.209 0.000 1.197 190 L HN 0.707 nan 8.230 nan 0.000 0.431 191 F N 0.058 120.121 119.950 0.188 0.000 2.619 191 F HA 0.948 5.476 4.527 0.002 0.000 0.308 191 F C -0.248 175.584 175.800 0.053 0.000 1.097 191 F CA -0.708 57.424 58.000 0.221 0.000 0.953 191 F CB 2.143 41.367 39.000 0.374 0.000 1.287 191 F HN 0.517 nan 8.300 nan 0.000 0.446 192 G N 1.380 110.086 108.800 -0.157 0.000 2.601 192 G HA2 0.448 4.408 3.960 0.001 0.000 0.291 192 G HA3 0.448 4.408 3.960 0.001 0.000 0.291 192 G C -2.678 172.059 174.900 -0.273 0.000 1.456 192 G CA -0.737 43.846 45.100 -0.862 0.000 0.804 192 G HN 0.809 nan 8.290 nan 0.000 0.499 193 E N 0.479 120.495 120.200 -0.306 0.000 2.212 193 E HA 0.670 5.020 4.350 0.001 0.000 0.268 193 E C 0.753 177.368 176.600 0.024 0.000 0.902 193 E CA 0.308 56.736 56.400 0.047 0.000 0.779 193 E CB 1.993 31.838 29.700 0.242 0.000 1.172 193 E HN 0.779 nan 8.360 nan 0.000 0.409 194 S N 2.492 118.281 115.700 0.148 0.000 4.114 194 S HA -0.385 4.086 4.470 0.001 0.000 0.618 194 S C 1.437 176.227 174.600 0.315 0.000 1.937 194 S CA 1.961 60.347 58.200 0.311 0.000 4.228 194 S CB -1.592 61.747 63.200 0.232 0.000 0.216 194 S HN 0.919 nan 8.310 nan 0.000 0.528 195 A N 0.912 123.787 122.820 0.093 0.000 1.978 195 A HA 0.113 4.434 4.320 0.001 0.000 0.220 195 A C 2.421 179.860 177.584 -0.242 0.000 1.170 195 A CA 2.529 54.420 52.037 -0.243 0.000 0.636 195 A CB -1.512 16.967 19.000 -0.868 0.000 0.810 195 A HN 1.536 nan 8.150 nan 0.000 0.448 196 G N -0.653 108.014 108.800 -0.222 0.000 2.408 196 G HA2 0.057 4.017 3.960 0.001 0.000 0.217 196 G HA3 0.057 4.017 3.960 0.001 0.000 0.217 196 G C 1.494 176.269 174.900 -0.210 0.000 1.150 196 G CA 1.204 46.090 45.100 -0.358 0.000 0.776 196 G HN 0.677 nan 8.290 nan 0.000 0.542 197 G N 1.191 109.959 108.800 -0.053 0.000 2.433 197 G HA2 0.029 3.990 3.960 0.001 0.000 0.216 197 G HA3 0.029 3.990 3.960 0.001 0.000 0.216 197 G C 2.073 177.032 174.900 0.098 0.000 1.186 197 G CA 1.566 46.705 45.100 0.064 0.000 0.779 197 G HN 0.619 nan 8.290 nan 0.000 0.543 198 A N 0.558 123.460 122.820 0.136 0.000 1.933 198 A HA 0.024 4.344 4.320 0.001 0.000 0.218 198 A C 2.703 180.348 177.584 0.102 0.000 1.175 198 A CA 2.283 54.383 52.037 0.106 0.000 0.628 198 A CB -0.545 18.533 19.000 0.130 0.000 0.814 198 A HN 0.319 nan 8.150 nan 0.000 0.444 199 S N -0.553 115.197 115.700 0.084 0.000 2.355 199 S HA -0.109 4.362 4.470 0.001 0.000 0.222 199 S C 1.887 176.495 174.600 0.013 0.000 1.031 199 S CA 1.302 59.529 58.200 0.045 0.000 0.993 199 S CB -0.425 62.717 63.200 -0.098 0.000 0.859 199 S HN 0.335 nan 8.310 nan 0.000 0.453 200 V N 1.386 121.295 119.914 -0.008 0.000 2.392 200 V HA -0.172 3.948 4.120 0.001 0.000 0.249 200 V C 2.581 178.712 176.094 0.061 0.000 1.059 200 V CA 1.999 64.322 62.300 0.039 0.000 1.051 200 V CB -0.757 31.109 31.823 0.073 0.000 0.658 200 V HN 0.547 nan 8.190 nan 0.000 0.455 201 S N -0.551 115.190 115.700 0.068 0.000 2.345 201 S HA -0.131 4.339 4.470 0.001 0.000 0.220 201 S C 1.979 176.533 174.600 -0.077 0.000 1.031 201 S CA 1.589 59.794 58.200 0.008 0.000 0.996 201 S CB -0.327 62.912 63.200 0.064 0.000 0.882 201 S HN 0.487 nan 8.310 nan 0.000 0.445 202 L N 1.352 122.562 121.223 -0.021 0.000 2.079 202 L HA -0.164 4.177 4.340 0.001 0.000 0.210 202 L C 3.024 179.882 176.870 -0.020 0.000 1.081 202 L CA 1.260 56.089 54.840 -0.019 0.000 0.752 202 L CB -0.502 41.596 42.059 0.064 0.000 0.896 202 L HN 0.380 nan 8.230 nan 0.000 0.433 203 Q N -0.500 119.318 119.800 0.031 0.000 2.050 203 Q HA -0.193 4.147 4.340 0.001 0.000 0.202 203 Q C 2.357 178.323 176.000 -0.057 0.000 0.980 203 Q CA 2.251 58.082 55.803 0.046 0.000 0.840 203 Q CB -0.855 27.938 28.738 0.091 0.000 0.898 203 Q HN 0.649 nan 8.270 nan 0.000 0.424 204 T N -1.392 113.108 114.554 -0.090 0.000 2.897 204 T HA -0.075 4.276 4.350 0.001 0.000 0.271 204 T C 1.808 176.376 174.700 -0.221 0.000 1.084 204 T CA 0.875 62.888 62.100 -0.146 0.000 1.123 204 T CB -0.220 68.518 68.868 -0.216 0.000 0.865 204 T HN 0.173 nan 8.240 nan 0.000 0.496 205 L N 0.664 121.731 121.223 -0.259 0.000 2.529 205 L HA 0.302 4.643 4.340 0.001 0.000 0.223 205 L C 1.437 178.148 176.870 -0.265 0.000 1.113 205 L CA -0.220 54.439 54.840 -0.301 0.000 0.861 205 L CB 0.047 41.897 42.059 -0.349 0.000 1.012 205 L HN 0.201 nan 8.230 nan 0.000 0.461 206 S N 1.104 116.622 115.700 -0.303 0.000 2.513 206 S HA 0.231 4.701 4.470 0.001 0.000 0.276 206 S C -1.310 173.106 174.600 -0.307 0.000 1.254 206 S CA -1.443 56.498 58.200 -0.431 0.000 1.053 206 S CB 0.965 63.593 63.200 -0.953 0.000 0.958 206 S HN -0.011 nan 8.310 nan 0.000 0.491 207 P HA -0.078 nan 4.420 nan 0.000 0.234 207 P C 0.492 177.626 177.300 -0.276 0.000 1.167 207 P CA 0.824 63.781 63.100 -0.239 0.000 0.763 207 P CB -0.063 31.492 31.700 -0.242 0.000 0.835 208 Y N 0.850 120.927 120.300 -0.371 0.000 2.373 208 Y HA -0.008 4.543 4.550 0.002 0.000 0.293 208 Y C 2.083 177.864 175.900 -0.198 0.000 1.129 208 Y CA 1.036 58.918 58.100 -0.364 0.000 1.226 208 Y CB -0.576 37.499 38.460 -0.641 0.000 1.000 208 Y HN -0.007 nan 8.280 nan 0.000 0.549 209 N N 0.781 119.473 118.700 -0.012 0.000 2.370 209 N HA -0.045 4.696 4.740 0.001 0.000 0.198 209 N C 0.104 175.637 175.510 0.038 0.000 1.156 209 N CA 0.149 53.260 53.050 0.102 0.000 0.839 209 N CB -0.078 38.457 38.487 0.080 0.000 0.989 209 N HN 0.241 nan 8.380 nan 0.000 0.468 210 K N 0.789 121.179 120.400 -0.017 0.000 2.477 210 K HA -0.054 4.266 4.320 0.001 0.000 0.275 210 K C 0.880 177.478 176.600 -0.004 0.000 1.054 210 K CA 0.910 57.176 56.287 -0.034 0.000 1.135 210 K CB -0.116 32.344 32.500 -0.066 0.000 0.854 210 K HN 0.328 nan 8.250 nan 0.000 0.484 211 G N 3.619 112.414 108.800 -0.010 0.000 2.198 211 G HA2 -0.239 3.722 3.960 0.001 0.000 0.260 211 G HA3 -0.239 3.722 3.960 0.001 0.000 0.260 211 G C 0.320 175.223 174.900 0.006 0.000 1.025 211 G CA 0.530 45.627 45.100 -0.005 0.000 0.769 211 G HN 0.607 nan 8.290 nan 0.000 0.507 212 L N -1.459 119.774 121.223 0.017 0.000 2.663 212 L HA 0.435 4.776 4.340 0.001 0.000 0.218 212 L C 1.357 178.238 176.870 0.017 0.000 1.043 212 L CA -0.026 54.826 54.840 0.020 0.000 0.876 212 L CB 0.114 42.201 42.059 0.047 0.000 1.263 212 L HN 0.162 nan 8.230 nan 0.000 0.486 213 I N 0.760 121.343 120.570 0.023 0.000 2.371 213 I HA 0.129 4.300 4.170 0.001 0.000 0.290 213 I C 1.065 177.191 176.117 0.015 0.000 1.028 213 I CA -0.079 61.237 61.300 0.027 0.000 1.345 213 I CB 1.562 39.583 38.000 0.035 0.000 1.407 213 I HN 0.078 nan 8.210 nan 0.000 0.501 214 R N 5.756 126.259 120.500 0.006 0.000 2.105 214 R HA 0.270 4.610 4.340 0.001 0.000 0.214 214 R C 0.157 176.451 176.300 -0.011 0.000 1.091 214 R CA 1.049 57.140 56.100 -0.015 0.000 1.007 214 R CB 0.442 30.715 30.300 -0.045 0.000 0.912 214 R HN 0.580 nan 8.270 nan 0.000 0.450 215 R N -1.305 119.192 120.500 -0.006 0.000 2.799 215 R HA 0.762 5.102 4.340 0.001 0.000 0.270 215 R C -1.562 174.835 176.300 0.163 0.000 1.010 215 R CA -0.692 55.431 56.100 0.037 0.000 0.916 215 R CB 2.162 32.320 30.300 -0.236 0.000 1.228 215 R HN 0.146 nan 8.270 nan 0.000 0.469 216 A N 1.331 124.346 122.820 0.325 0.000 2.594 216 A HA 0.748 5.068 4.320 0.001 0.000 0.295 216 A C -1.375 176.424 177.584 0.358 0.000 1.071 216 A CA -0.652 51.595 52.037 0.349 0.000 0.685 216 A CB 1.455 20.639 19.000 0.306 0.000 1.285 216 A HN 0.588 nan 8.150 nan 0.000 0.405 217 I N 1.085 121.795 120.570 0.232 0.000 2.499 217 I HA 0.384 4.555 4.170 0.001 0.000 0.288 217 I C -0.292 175.882 176.117 0.095 0.000 1.048 217 I CA -0.319 60.977 61.300 -0.007 0.000 1.062 217 I CB 2.461 40.396 38.000 -0.109 0.000 1.238 217 I HN 0.494 nan 8.210 nan 0.000 0.426 218 S N 5.608 121.284 115.700 -0.039 0.000 2.474 218 S HA 0.424 4.895 4.470 0.001 0.000 0.321 218 S C -0.685 174.008 174.600 0.155 0.000 1.080 218 S CA -0.659 57.593 58.200 0.087 0.000 1.106 218 S CB 1.168 64.432 63.200 0.106 0.000 0.984 218 S HN 0.471 nan 8.310 nan 0.000 0.464 219 Q N 1.542 121.490 119.800 0.246 0.000 2.348 219 Q HA 0.424 4.765 4.340 0.001 0.000 0.265 219 Q C -0.211 175.918 176.000 0.216 0.000 0.998 219 Q CA -0.615 55.391 55.803 0.338 0.000 0.831 219 Q CB 1.413 30.414 28.738 0.439 0.000 1.251 219 Q HN 0.712 nan 8.270 nan 0.000 0.456 220 S N 1.240 117.035 115.700 0.159 0.000 3.614 220 S HA -0.159 4.312 4.470 0.001 0.000 0.360 220 S C 0.026 174.856 174.600 0.383 0.000 1.023 220 S CA 0.681 58.956 58.200 0.124 0.000 1.114 220 S CB -1.104 62.068 63.200 -0.047 0.000 0.907 220 S HN 1.018 nan 8.310 nan 0.000 0.470 221 G N -0.831 108.192 108.800 0.372 0.000 2.299 221 G HA2 0.504 4.464 3.960 0.001 0.000 0.312 221 G HA3 0.504 4.464 3.960 0.001 0.000 0.312 221 G C -0.876 174.155 174.900 0.218 0.000 1.654 221 G CA 0.032 45.405 45.100 0.455 0.000 0.912 221 G HN 1.298 nan 8.290 nan 0.000 0.667 222 V N -0.431 119.536 119.914 0.087 0.000 3.167 222 V HA 0.935 5.056 4.120 0.001 0.000 0.310 222 V C 1.360 177.401 176.094 -0.088 0.000 1.207 222 V CA 0.023 62.353 62.300 0.051 0.000 1.059 222 V CB 1.130 33.010 31.823 0.095 0.000 1.079 222 V HN 1.914 nan 8.190 nan 0.000 0.446 223 A N -0.102 122.693 122.820 -0.042 0.000 1.972 223 A HA 0.054 4.375 4.320 0.001 0.000 0.219 223 A C 1.677 179.160 177.584 -0.169 0.000 1.169 223 A CA 1.912 53.888 52.037 -0.101 0.000 0.635 223 A CB -0.850 18.116 19.000 -0.058 0.000 0.810 223 A HN 0.899 nan 8.150 nan 0.000 0.446 224 L N 0.314 121.458 121.223 -0.131 0.000 2.675 224 L HA 0.043 4.383 4.340 0.001 0.000 0.238 224 L C 0.607 177.293 176.870 -0.308 0.000 1.155 224 L CA -0.310 54.417 54.840 -0.189 0.000 0.881 224 L CB -0.568 41.390 42.059 -0.168 0.000 1.008 224 L HN 0.121 nan 8.230 nan 0.000 0.443 225 S N 1.241 116.666 115.700 -0.459 0.000 2.564 225 S HA 0.126 4.597 4.470 0.001 0.000 0.278 225 S C -0.973 173.207 174.600 -0.701 0.000 1.333 225 S CA -0.975 56.799 58.200 -0.711 0.000 1.048 225 S CB 1.079 63.479 63.200 -1.334 0.000 0.900 225 S HN 0.117 nan 8.310 nan 0.000 0.505 226 P HA -0.045 nan 4.420 nan 0.000 0.228 226 P C 0.865 178.036 177.300 -0.214 0.000 1.151 226 P CA 0.951 63.882 63.100 -0.282 0.000 0.770 226 P CB 0.018 31.635 31.700 -0.137 0.000 0.786 227 W N -1.327 119.885 121.300 -0.146 0.000 3.220 227 W HA 0.288 4.948 4.660 0.001 0.000 0.328 227 W C 0.698 177.151 176.519 -0.109 0.000 1.205 227 W CA -0.232 57.035 57.345 -0.130 0.000 1.773 227 W CB -0.984 28.403 29.460 -0.122 0.000 1.086 227 W HN -0.272 nan 8.180 nan 0.000 0.622 228 V N 1.953 121.621 119.914 -0.410 0.000 2.500 228 V HA -0.043 4.077 4.120 0.001 0.000 0.243 228 V C 1.021 176.878 176.094 -0.395 0.000 1.039 228 V CA 1.023 63.091 62.300 -0.386 0.000 1.053 228 V CB -0.118 31.415 31.823 -0.483 0.000 0.695 228 V HN -0.151 nan 8.190 nan 0.000 0.463 229 I N 1.347 121.733 120.570 -0.307 0.000 2.339 229 I HA 0.377 4.548 4.170 0.001 0.000 0.290 229 I C -0.109 175.878 176.117 -0.217 0.000 0.994 229 I CA -0.642 60.506 61.300 -0.253 0.000 1.191 229 I CB 1.155 39.042 38.000 -0.188 0.000 1.343 229 I HN 0.223 nan 8.210 nan 0.000 0.458 230 Q N 5.968 125.636 119.800 -0.221 0.000 2.323 230 Q HA 0.168 4.508 4.340 0.001 0.000 0.257 230 Q C 0.394 176.331 176.000 -0.105 0.000 1.022 230 Q CA 0.316 56.002 55.803 -0.195 0.000 0.919 230 Q CB 0.781 29.370 28.738 -0.248 0.000 1.220 230 Q HN 0.433 nan 8.270 nan 0.000 0.427 231 K N 2.816 123.167 120.400 -0.083 0.000 2.486 231 K HA 0.049 4.369 4.320 0.001 0.000 0.194 231 K C 0.152 176.751 176.600 -0.001 0.000 1.033 231 K CA 0.319 56.577 56.287 -0.049 0.000 1.004 231 K CB 0.348 32.810 32.500 -0.064 0.000 0.798 231 K HN 0.367 nan 8.250 nan 0.000 0.495 232 N N 0.029 118.759 118.700 0.050 0.000 2.751 232 N HA 0.135 4.875 4.740 0.001 0.000 0.238 232 N C -2.659 173.018 175.510 0.278 0.000 1.351 232 N CA -1.336 51.789 53.050 0.126 0.000 0.751 232 N CB 1.398 39.937 38.487 0.087 0.000 1.342 232 N HN -0.218 nan 8.380 nan 0.000 0.540 233 P HA -0.034 nan 4.420 nan 0.000 0.217 233 P C 1.727 179.221 177.300 0.322 0.000 1.154 233 P CA 0.133 63.391 63.100 0.264 0.000 0.841 233 P CB 0.665 32.461 31.700 0.161 0.000 0.788 234 L N -1.048 120.312 121.223 0.227 0.000 2.089 234 L HA -0.185 4.155 4.340 0.001 0.000 0.213 234 L C 2.167 179.143 176.870 0.176 0.000 1.079 234 L CA 1.771 56.717 54.840 0.176 0.000 0.758 234 L CB -1.498 40.634 42.059 0.121 0.000 0.891 234 L HN -0.103 nan 8.230 nan 0.000 0.433 235 F N -0.952 119.025 119.950 0.046 0.000 2.051 235 F HA -0.256 4.272 4.527 0.001 0.000 0.296 235 F C 1.855 177.562 175.800 -0.154 0.000 1.122 235 F CA 1.863 59.792 58.000 -0.118 0.000 1.201 235 F CB -0.812 38.025 39.000 -0.272 0.000 0.978 235 F HN 0.117 nan 8.300 nan 0.000 0.472 236 W N 0.550 121.991 121.300 0.236 0.000 2.421 236 W HA 0.036 4.696 4.660 -0.000 0.000 0.270 236 W C 2.484 179.094 176.519 0.152 0.000 1.233 236 W CA 1.274 58.664 57.345 0.075 0.000 1.226 236 W CB -1.274 28.092 29.460 -0.157 0.000 1.121 236 W HN 0.163 nan 8.180 nan 0.000 0.579 237 A N 0.772 123.786 122.820 0.323 0.000 1.898 237 A HA -0.167 4.154 4.320 0.001 0.000 0.216 237 A C 1.970 179.617 177.584 0.104 0.000 1.181 237 A CA 1.576 53.763 52.037 0.249 0.000 0.620 237 A CB -0.510 18.609 19.000 0.199 0.000 0.819 237 A HN 0.282 nan 8.150 nan 0.000 0.442 238 K N -0.219 120.169 120.400 -0.019 0.000 2.025 238 K HA -0.126 4.195 4.320 0.001 0.000 0.207 238 K C 2.183 178.712 176.600 -0.118 0.000 1.049 238 K CA 1.470 57.703 56.287 -0.091 0.000 0.933 238 K CB -0.167 32.229 32.500 -0.174 0.000 0.714 238 K HN 0.454 nan 8.250 nan 0.000 0.438 239 K N 1.127 121.394 120.400 -0.221 0.000 2.059 239 K HA -0.201 4.120 4.320 0.001 0.000 0.212 239 K C 1.977 178.580 176.600 0.005 0.000 1.050 239 K CA 1.676 57.855 56.287 -0.181 0.000 0.927 239 K CB -0.100 32.236 32.500 -0.275 0.000 0.714 239 K HN -0.057 nan 8.250 nan 0.000 0.447 240 V N 1.066 121.046 119.914 0.110 0.000 2.261 240 V HA -0.274 3.847 4.120 0.001 0.000 0.246 240 V C 2.449 178.583 176.094 0.067 0.000 1.047 240 V CA 1.982 64.363 62.300 0.135 0.000 1.015 240 V CB -0.891 31.034 31.823 0.170 0.000 0.642 240 V HN 0.532 nan 8.190 nan 0.000 0.446 241 A N 0.064 122.912 122.820 0.047 0.000 1.869 241 A HA -0.330 3.990 4.320 0.001 0.000 0.218 241 A C 2.132 179.724 177.584 0.013 0.000 1.203 241 A CA 2.364 54.416 52.037 0.025 0.000 0.638 241 A CB -0.748 18.261 19.000 0.015 0.000 0.831 241 A HN 0.656 nan 8.150 nan 0.000 0.450 242 E N -0.827 119.371 120.200 -0.004 0.000 2.114 242 E HA -0.288 4.062 4.350 0.001 0.000 0.199 242 E C 2.118 178.722 176.600 0.008 0.000 1.008 242 E CA 1.677 58.072 56.400 -0.008 0.000 0.810 242 E CB -0.162 29.520 29.700 -0.031 0.000 0.739 242 E HN 0.497 nan 8.360 nan 0.000 0.456 243 K N 0.717 121.131 120.400 0.023 0.000 2.057 243 K HA -0.106 4.214 4.320 0.001 0.000 0.206 243 K C 1.974 178.593 176.600 0.033 0.000 1.050 243 K CA 1.183 57.493 56.287 0.038 0.000 0.935 243 K CB -0.055 32.485 32.500 0.068 0.000 0.715 243 K HN 0.191 nan 8.250 nan 0.000 0.439 244 V N -2.763 117.170 119.914 0.031 0.000 3.623 244 V HA 0.352 4.472 4.120 0.001 0.000 0.271 244 V C 0.614 176.718 176.094 0.015 0.000 1.248 244 V CA 0.245 62.558 62.300 0.023 0.000 1.156 244 V CB -0.704 31.131 31.823 0.021 0.000 0.870 244 V HN 0.316 nan 8.190 nan 0.000 0.453 245 G N -0.376 108.432 108.800 0.013 0.000 2.734 245 G HA2 -0.153 3.808 3.960 0.001 0.000 0.277 245 G HA3 -0.153 3.808 3.960 0.001 0.000 0.277 245 G C -0.347 174.557 174.900 0.007 0.000 1.099 245 G CA -0.188 44.917 45.100 0.009 0.000 1.218 245 G HN 0.869 nan 8.290 nan 0.000 0.554 246 c N 1.655 120.259 118.600 0.006 0.000 3.291 246 c HA 0.887 5.457 4.570 0.001 0.000 0.316 246 c C -1.791 172.300 174.090 0.001 0.000 1.391 246 c CA -0.874 55.458 56.329 0.005 0.000 1.394 246 c CB 2.108 44.624 42.510 0.010 0.000 1.744 246 c HN 0.698 nan 8.230 nan 0.000 0.461 247 P HA 0.439 nan 4.420 nan 0.000 0.281 247 P C -0.355 176.943 177.300 -0.004 0.000 1.281 247 P CA -0.091 63.007 63.100 -0.002 0.000 0.811 247 P CB 1.084 32.784 31.700 0.001 0.000 1.154 248 V N -3.811 116.097 119.914 -0.010 0.000 3.017 248 V HA 0.492 4.613 4.120 0.001 0.000 0.354 248 V C 0.908 176.996 176.094 -0.010 0.000 1.389 248 V CA 0.768 63.059 62.300 -0.014 0.000 1.163 248 V CB 0.098 31.900 31.823 -0.036 0.000 1.178 248 V HN 0.615 nan 8.190 nan 0.000 0.547 249 G N 0.535 109.334 108.800 -0.003 0.000 2.662 249 G HA2 0.104 4.064 3.960 0.001 0.000 0.207 249 G HA3 0.104 4.064 3.960 0.001 0.000 0.207 249 G C 0.032 174.936 174.900 0.007 0.000 1.154 249 G CA 0.533 45.633 45.100 0.000 0.000 0.837 249 G HN 0.521 nan 8.290 nan 0.000 0.580 250 D N 0.388 120.793 120.400 0.009 0.000 2.396 250 D HA 0.590 5.231 4.640 0.001 0.000 0.225 250 D C 1.415 177.726 176.300 0.019 0.000 1.121 250 D CA 0.285 54.293 54.000 0.013 0.000 0.853 250 D CB 1.458 42.265 40.800 0.012 0.000 1.043 250 D HN 0.134 nan 8.370 nan 0.000 0.500 251 A N 4.141 126.975 122.820 0.024 0.000 1.884 251 A HA -0.205 4.116 4.320 0.001 0.000 0.219 251 A C 2.223 179.827 177.584 0.033 0.000 1.197 251 A CA 2.205 54.262 52.037 0.033 0.000 0.637 251 A CB -1.081 17.942 19.000 0.039 0.000 0.827 251 A HN 0.680 nan 8.150 nan 0.000 0.450 252 A N -0.884 121.954 122.820 0.030 0.000 1.884 252 A HA -0.259 4.061 4.320 0.001 0.000 0.219 252 A C 2.251 179.850 177.584 0.024 0.000 1.197 252 A CA 2.033 54.087 52.037 0.028 0.000 0.637 252 A CB -0.544 18.471 19.000 0.024 0.000 0.827 252 A HN 0.431 nan 8.150 nan 0.000 0.450 253 R N -1.238 119.274 120.500 0.020 0.000 2.075 253 R HA -0.063 4.278 4.340 0.001 0.000 0.232 253 R C 2.273 178.584 176.300 0.017 0.000 1.126 253 R CA 1.512 57.622 56.100 0.016 0.000 0.963 253 R CB -0.883 29.424 30.300 0.012 0.000 0.858 253 R HN 0.755 nan 8.270 nan 0.000 0.435 254 M N 0.132 119.745 119.600 0.021 0.000 2.080 254 M HA -0.148 4.333 4.480 0.001 0.000 0.260 254 M C 1.887 178.204 176.300 0.028 0.000 1.068 254 M CA 2.148 57.462 55.300 0.023 0.000 1.109 254 M CB -0.212 32.405 32.600 0.028 0.000 1.342 254 M HN 0.132 nan 8.290 nan 0.000 0.405 255 A N -0.157 122.684 122.820 0.035 0.000 2.225 255 A HA -0.156 4.165 4.320 0.001 0.000 0.215 255 A C 1.779 179.376 177.584 0.022 0.000 1.164 255 A CA 1.076 53.136 52.037 0.037 0.000 0.710 255 A CB -0.397 18.632 19.000 0.049 0.000 0.780 255 A HN 0.615 nan 8.150 nan 0.000 0.473 256 Q N -1.036 118.775 119.800 0.017 0.000 2.013 256 Q HA -0.082 4.259 4.340 0.001 0.000 0.195 256 Q C 2.482 178.485 176.000 0.005 0.000 0.974 256 Q CA 1.483 57.292 55.803 0.010 0.000 0.826 256 Q CB -1.487 27.257 28.738 0.011 0.000 0.895 256 Q HN 0.718 nan 8.270 nan 0.000 0.448 257 c N 1.027 119.631 118.600 0.007 0.000 2.425 257 c HA -0.011 4.560 4.570 0.001 0.000 0.277 257 c C 2.656 176.748 174.090 0.003 0.000 1.280 257 c CA 0.335 56.667 56.329 0.005 0.000 1.744 257 c CB -1.151 41.363 42.510 0.007 0.000 1.989 257 c HN 0.458 nan 8.230 nan 0.000 0.491 258 L N 0.280 121.508 121.223 0.007 0.000 2.265 258 L HA -0.099 4.242 4.340 0.001 0.000 0.215 258 L C 2.730 179.593 176.870 -0.012 0.000 1.117 258 L CA 1.463 56.306 54.840 0.005 0.000 0.782 258 L CB -0.531 41.540 42.059 0.021 0.000 0.914 258 L HN 0.425 nan 8.230 nan 0.000 0.441 259 K N -0.953 119.439 120.400 -0.015 0.000 2.361 259 K HA 0.041 4.361 4.320 0.001 0.000 0.196 259 K C 1.540 178.120 176.600 -0.033 0.000 1.039 259 K CA 0.418 56.684 56.287 -0.034 0.000 1.001 259 K CB 0.583 33.065 32.500 -0.030 0.000 0.795 259 K HN 0.149 nan 8.250 nan 0.000 0.495 260 V N 0.577 120.480 119.914 -0.020 0.000 3.643 260 V HA 0.012 4.133 4.120 0.001 0.000 0.280 260 V C 0.615 176.701 176.094 -0.013 0.000 1.351 260 V CA 0.157 62.447 62.300 -0.017 0.000 1.073 260 V CB 0.707 32.524 31.823 -0.010 0.000 0.863 260 V HN 0.136 nan 8.190 nan 0.000 0.436 261 T N 1.568 116.115 114.554 -0.012 0.000 2.856 261 T HA -0.035 4.316 4.350 0.001 0.000 0.329 261 T C 0.143 174.838 174.700 -0.009 0.000 1.094 261 T CA 0.456 62.552 62.100 -0.007 0.000 1.112 261 T CB 0.227 69.092 68.868 -0.005 0.000 1.009 261 T HN 0.508 nan 8.240 nan 0.000 0.550 262 D N 2.803 123.201 120.400 -0.004 0.000 2.487 262 D HA 0.029 4.670 4.640 0.001 0.000 0.243 262 D C -0.852 175.444 176.300 -0.006 0.000 1.154 262 D CA -1.573 52.425 54.000 -0.003 0.000 0.876 262 D CB 0.830 41.632 40.800 0.003 0.000 1.161 262 D HN 0.116 nan 8.370 nan 0.000 0.478 263 P HA -0.218 nan 4.420 nan 0.000 0.216 263 P C 1.018 178.315 177.300 -0.006 0.000 1.153 263 P CA 1.306 64.397 63.100 -0.016 0.000 0.858 263 P CB 0.191 31.881 31.700 -0.016 0.000 0.789 264 R N -0.048 120.456 120.500 0.006 0.000 2.120 264 R HA -0.041 4.300 4.340 0.001 0.000 0.234 264 R C 2.605 178.914 176.300 0.016 0.000 1.123 264 R CA 1.385 57.495 56.100 0.016 0.000 0.975 264 R CB -1.030 29.283 30.300 0.021 0.000 0.866 264 R HN 0.167 nan 8.270 nan 0.000 0.446 265 A N 1.358 124.185 122.820 0.012 0.000 1.908 265 A HA -0.150 4.171 4.320 0.001 0.000 0.218 265 A C 2.166 179.761 177.584 0.018 0.000 1.181 265 A CA 1.231 53.278 52.037 0.017 0.000 0.627 265 A CB -0.532 18.476 19.000 0.013 0.000 0.818 265 A HN 0.178 nan 8.150 nan 0.000 0.445 266 L N -0.951 120.272 121.223 0.001 0.000 2.017 266 L HA -0.164 4.176 4.340 0.001 0.000 0.208 266 L C 2.840 179.693 176.870 -0.029 0.000 1.073 266 L CA 1.778 56.606 54.840 -0.019 0.000 0.745 266 L CB -1.061 40.970 42.059 -0.046 0.000 0.894 266 L HN 0.350 nan 8.230 nan 0.000 0.432 267 T N 0.447 114.991 114.554 -0.017 0.000 2.653 267 T HA -0.200 4.151 4.350 0.001 0.000 0.268 267 T C 1.255 175.979 174.700 0.040 0.000 1.035 267 T CA 1.278 63.378 62.100 0.001 0.000 1.154 267 T CB -0.276 68.609 68.868 0.028 0.000 0.862 267 T HN 0.155 nan 8.240 nan 0.000 0.441 268 L N 1.018 122.271 121.223 0.050 0.000 2.990 268 L HA 0.449 4.789 4.340 0.001 0.000 0.231 268 L C 1.211 178.141 176.870 0.100 0.000 1.341 268 L CA -0.435 54.447 54.840 0.069 0.000 1.208 268 L CB 0.060 42.147 42.059 0.046 0.000 1.571 268 L HN 0.124 nan 8.230 nan 0.000 0.453 269 A N 0.153 123.062 122.820 0.149 0.000 2.465 269 A HA 0.260 4.580 4.320 0.001 0.000 0.255 269 A C -0.315 177.488 177.584 0.365 0.000 1.274 269 A CA -0.014 52.142 52.037 0.198 0.000 0.920 269 A CB 0.176 19.274 19.000 0.164 0.000 1.033 269 A HN 0.377 nan 8.150 nan 0.000 0.516 270 Y N -1.166 119.264 120.300 0.216 0.000 2.393 270 Y HA 0.251 4.802 4.550 0.001 0.000 0.320 270 Y C 0.417 176.473 175.900 0.260 0.000 1.241 270 Y CA -1.273 56.997 58.100 0.283 0.000 1.122 270 Y CB 0.314 39.051 38.460 0.462 0.000 1.322 270 Y HN 0.148 nan 8.280 nan 0.000 0.441 271 K N 3.083 123.222 120.400 -0.435 0.000 2.155 271 K HA -0.011 4.310 4.320 0.001 0.000 0.230 271 K C -0.318 175.971 176.600 -0.519 0.000 0.880 271 K CA 2.836 58.859 56.287 -0.440 0.000 1.043 271 K CB -0.594 31.765 32.500 -0.234 0.000 0.619 271 K HN 0.969 nan 8.250 nan 0.000 0.681 281 M N 1.625 121.382 119.600 0.262 0.000 2.303 281 M HA 0.027 4.508 4.480 0.001 0.000 0.350 281 M C 1.700 178.135 176.300 0.225 0.000 1.518 281 M CA -0.172 55.300 55.300 0.288 0.000 1.070 281 M CB 0.812 33.753 32.600 0.569 0.000 1.910 281 M HN 0.123 nan 8.290 nan 0.000 0.458 282 L N 5.702 126.944 121.223 0.033 0.000 2.051 282 L HA -0.263 4.078 4.340 0.001 0.000 0.214 282 L C 1.919 178.798 176.870 0.015 0.000 1.076 282 L CA 2.318 57.145 54.840 -0.023 0.000 0.758 282 L CB -0.941 41.016 42.059 -0.170 0.000 0.890 282 L HN 0.837 nan 8.230 nan 0.000 0.433 283 H N -1.890 117.110 119.070 -0.116 0.000 2.272 283 H HA -0.298 4.259 4.556 0.001 0.000 0.289 283 H C 1.948 177.231 175.328 -0.075 0.000 1.100 283 H CA 2.702 58.645 56.048 -0.174 0.000 1.209 283 H CB -0.313 29.237 29.762 -0.354 0.000 1.348 283 H HN 0.515 nan 8.280 nan 0.000 0.481 284 Y N -0.810 119.674 120.300 0.306 0.000 2.483 284 Y HA -0.026 4.525 4.550 0.001 0.000 0.291 284 Y C 0.676 176.769 175.900 0.322 0.000 1.143 284 Y CA 0.088 58.412 58.100 0.373 0.000 1.289 284 Y CB 0.269 38.902 38.460 0.288 0.000 0.983 284 Y HN -0.026 nan 8.280 nan 0.000 0.556 285 V N 0.014 120.066 119.914 0.229 0.000 2.407 285 V HA 0.384 4.504 4.120 0.001 0.000 0.278 285 V C 0.915 176.809 176.094 -0.334 0.000 1.037 285 V CA 0.472 62.812 62.300 0.066 0.000 0.900 285 V CB 1.079 32.962 31.823 0.099 0.000 0.983 285 V HN 0.376 nan 8.190 nan 0.000 0.459 286 G N 3.462 111.819 108.800 -0.738 0.000 2.709 286 G HA2 0.090 4.051 3.960 0.001 0.000 0.197 286 G HA3 0.090 4.051 3.960 0.001 0.000 0.197 286 G C 0.175 174.418 174.900 -1.094 0.000 1.111 286 G CA -0.004 44.148 45.100 -1.579 0.000 0.716 286 G HN 0.496 nan 8.290 nan 0.000 0.754 287 F N 2.771 122.531 119.950 -0.316 0.000 2.651 287 F HA 0.474 5.003 4.527 0.003 0.000 0.347 287 F C 0.682 176.397 175.800 -0.142 0.000 1.284 287 F CA -1.015 56.945 58.000 -0.066 0.000 1.175 287 F CB 0.096 39.199 39.000 0.171 0.000 1.542 287 F HN 0.054 nan 8.300 nan 0.000 0.661 288 V N -0.128 119.594 119.914 -0.318 0.000 3.105 288 V HA 0.746 4.866 4.120 0.001 0.000 0.311 288 V C -2.845 172.759 176.094 -0.816 0.000 1.287 288 V CA -3.300 58.408 62.300 -0.986 0.000 1.066 288 V CB 1.865 33.173 31.823 -0.859 0.000 1.105 288 V HN 0.028 nan 8.190 nan 0.000 0.462 289 P HA 0.342 nan 4.420 nan 0.000 0.268 289 P C -0.826 176.333 177.300 -0.235 0.000 1.208 289 P CA 0.306 63.166 63.100 -0.399 0.000 0.777 289 P CB 0.599 32.055 31.700 -0.406 0.000 0.875 290 V N 0.238 120.096 119.914 -0.094 0.000 2.841 290 V HA 0.423 4.543 4.120 0.001 0.000 0.310 290 V C -0.399 175.673 176.094 -0.036 0.000 1.090 290 V CA -1.033 61.225 62.300 -0.070 0.000 0.930 290 V CB 1.910 33.716 31.823 -0.028 0.000 1.014 290 V HN 0.207 nan 8.190 nan 0.000 0.425 291 I N 4.942 125.488 120.570 -0.039 0.000 2.691 291 I HA 0.123 4.294 4.170 0.001 0.000 0.288 291 I C 0.969 177.084 176.117 -0.003 0.000 1.143 291 I CA 0.620 61.907 61.300 -0.021 0.000 1.364 291 I CB -0.130 37.854 38.000 -0.027 0.000 1.435 291 I HN 1.026 nan 8.210 nan 0.000 0.551 292 D N 3.640 124.047 120.400 0.012 0.000 2.369 292 D HA 0.083 4.723 4.640 0.001 0.000 0.211 292 D C 1.378 177.694 176.300 0.027 0.000 1.077 292 D CA 0.558 54.569 54.000 0.017 0.000 0.842 292 D CB 0.383 41.190 40.800 0.011 0.000 0.947 292 D HN 0.697 nan 8.370 nan 0.000 0.509 293 G N 0.375 109.189 108.800 0.024 0.000 2.168 293 G HA2 -0.333 3.628 3.960 0.001 0.000 0.263 293 G HA3 -0.333 3.628 3.960 0.001 0.000 0.263 293 G C 0.448 175.373 174.900 0.042 0.000 0.977 293 G CA 0.771 45.884 45.100 0.022 0.000 0.659 293 G HN 0.547 nan 8.290 nan 0.000 0.533 294 D N -1.620 118.826 120.400 0.077 0.000 3.028 294 D HA 0.244 4.884 4.640 0.001 0.000 0.205 294 D C 1.732 178.176 176.300 0.240 0.000 1.489 294 D CA 0.353 54.445 54.000 0.152 0.000 1.452 294 D CB -0.621 40.272 40.800 0.155 0.000 1.052 294 D HN 0.078 nan 8.370 nan 0.000 0.221 295 F N 1.361 121.339 119.950 0.046 0.000 2.069 295 F HA 0.082 4.611 4.527 0.002 0.000 0.298 295 F C 0.921 176.734 175.800 0.022 0.000 1.113 295 F CA 1.170 59.144 58.000 -0.044 0.000 1.214 295 F CB 0.185 39.030 39.000 -0.257 0.000 0.978 295 F HN 0.023 nan 8.300 nan 0.000 0.474 296 I N 3.110 123.738 120.570 0.096 0.000 2.377 296 I HA 0.161 4.331 4.170 0.001 0.000 0.282 296 I C -1.557 174.557 176.117 -0.006 0.000 1.091 296 I CA -2.207 59.091 61.300 -0.003 0.000 1.207 296 I CB 0.155 38.185 38.000 0.049 0.000 1.429 296 I HN 0.023 nan 8.210 nan 0.000 0.491 297 P HA -0.101 nan 4.420 nan 0.000 0.219 297 P C 0.448 177.733 177.300 -0.025 0.000 1.146 297 P CA 1.222 64.307 63.100 -0.025 0.000 0.808 297 P CB 1.054 32.724 31.700 -0.050 0.000 0.779 298 A N -1.179 121.621 122.820 -0.033 0.000 2.515 298 A HA 0.365 4.686 4.320 0.001 0.000 0.299 298 A C -1.278 176.288 177.584 -0.031 0.000 1.179 298 A CA -0.607 51.413 52.037 -0.028 0.000 0.656 298 A CB 0.084 19.068 19.000 -0.026 0.000 1.306 298 A HN -0.039 nan 8.150 nan 0.000 0.459 299 D N 0.151 120.535 120.400 -0.026 0.000 2.458 299 D HA 0.146 4.786 4.640 0.001 0.000 0.243 299 D C -1.461 174.829 176.300 -0.017 0.000 1.146 299 D CA -0.934 53.049 54.000 -0.029 0.000 0.877 299 D CB 1.064 41.849 40.800 -0.025 0.000 1.176 299 D HN 0.051 nan 8.370 nan 0.000 0.461 300 P HA -0.209 nan 4.420 nan 0.000 0.219 300 P C 1.511 178.882 177.300 0.117 0.000 1.153 300 P CA 0.796 63.894 63.100 -0.002 0.000 0.865 300 P CB 0.098 31.784 31.700 -0.023 0.000 0.788 301 I N -0.845 119.781 120.570 0.094 0.000 2.567 301 I HA -0.175 3.996 4.170 0.001 0.000 0.257 301 I C 0.959 177.149 176.117 0.123 0.000 1.184 301 I CA 1.611 62.972 61.300 0.102 0.000 1.451 301 I CB -0.407 37.595 38.000 0.004 0.000 1.089 301 I HN -0.071 nan 8.210 nan 0.000 0.441 302 N N -0.270 118.479 118.700 0.082 0.000 2.251 302 N HA 0.189 4.929 4.740 0.001 0.000 0.217 302 N C 0.992 176.531 175.510 0.048 0.000 1.124 302 N CA 0.259 53.343 53.050 0.057 0.000 0.843 302 N CB 0.578 39.075 38.487 0.017 0.000 1.024 302 N HN 0.385 nan 8.380 nan 0.000 0.501 303 L N -0.979 120.283 121.223 0.065 0.000 2.731 303 L HA 0.222 4.563 4.340 0.001 0.000 0.240 303 L C 1.040 177.862 176.870 -0.080 0.000 1.120 303 L CA -0.096 54.721 54.840 -0.038 0.000 0.913 303 L CB -0.064 41.925 42.059 -0.116 0.000 1.213 303 L HN -0.056 nan 8.230 nan 0.000 0.515 304 Y N 1.233 121.489 120.300 -0.074 0.000 2.425 304 Y HA -0.291 4.260 4.550 0.001 0.000 0.285 304 Y C 2.533 178.378 175.900 -0.091 0.000 1.170 304 Y CA 1.148 59.200 58.100 -0.080 0.000 1.304 304 Y CB -0.540 37.882 38.460 -0.064 0.000 0.972 304 Y HN 0.228 nan 8.280 nan 0.000 0.558 305 A N -0.000 122.825 122.820 0.009 0.000 2.015 305 A HA -0.179 4.141 4.320 0.001 0.000 0.219 305 A C 2.045 179.585 177.584 -0.073 0.000 1.163 305 A CA 1.542 53.561 52.037 -0.030 0.000 0.646 305 A CB -0.441 18.543 19.000 -0.026 0.000 0.806 305 A HN 0.413 nan 8.150 nan 0.000 0.448 306 N N 0.337 118.972 118.700 -0.109 0.000 2.459 306 N HA -0.006 4.734 4.740 0.001 0.000 0.181 306 N C 1.221 176.655 175.510 -0.127 0.000 1.046 306 N CA 1.132 54.107 53.050 -0.125 0.000 0.904 306 N CB -0.240 38.153 38.487 -0.157 0.000 0.964 306 N HN 0.476 nan 8.380 nan 0.000 0.444 307 A N -0.157 122.574 122.820 -0.148 0.000 2.460 307 A HA 0.520 4.841 4.320 0.001 0.000 0.258 307 A C 1.932 179.461 177.584 -0.092 0.000 1.300 307 A CA 0.297 52.264 52.037 -0.117 0.000 0.913 307 A CB -0.091 18.808 19.000 -0.167 0.000 1.031 307 A HN 0.161 nan 8.150 nan 0.000 0.512 308 A N 0.262 123.021 122.820 -0.101 0.000 1.986 308 A HA -0.151 4.169 4.320 0.001 0.000 0.220 308 A C 1.099 178.643 177.584 -0.066 0.000 1.171 308 A CA 1.645 53.617 52.037 -0.108 0.000 0.640 308 A CB -0.161 18.795 19.000 -0.073 0.000 0.811 308 A HN 0.467 nan 8.150 nan 0.000 0.451 309 D N -0.813 119.571 120.400 -0.026 0.000 2.772 309 D HA 0.327 4.968 4.640 0.001 0.000 0.272 309 D C -0.697 175.627 176.300 0.040 0.000 1.314 309 D CA 0.081 54.084 54.000 0.005 0.000 0.835 309 D CB 0.350 41.146 40.800 -0.007 0.000 1.080 309 D HN 0.363 nan 8.370 nan 0.000 0.482 310 I N 1.523 122.150 120.570 0.094 0.000 2.420 310 I HA 0.098 4.269 4.170 0.001 0.000 0.282 310 I C -0.105 176.177 176.117 0.276 0.000 1.019 310 I CA -0.802 60.579 61.300 0.135 0.000 1.130 310 I CB 1.703 39.760 38.000 0.093 0.000 1.262 310 I HN -0.291 nan 8.210 nan 0.000 0.454 311 D N 5.141 125.677 120.400 0.227 0.000 2.472 311 D HA -0.011 4.629 4.640 0.001 0.000 0.237 311 D C -0.886 175.702 176.300 0.479 0.000 1.141 311 D CA 0.956 55.166 54.000 0.349 0.000 0.875 311 D CB 1.047 41.972 40.800 0.209 0.000 1.192 311 D HN 0.279 nan 8.370 nan 0.000 0.450 312 Y N 1.261 121.677 120.300 0.193 0.000 2.457 312 Y HA 0.462 5.013 4.550 0.001 0.000 0.343 312 Y C -1.065 174.731 175.900 -0.173 0.000 0.994 312 Y CA -1.013 57.030 58.100 -0.096 0.000 1.031 312 Y CB 1.175 39.197 38.460 -0.731 0.000 1.246 312 Y HN 0.247 nan 8.280 nan 0.000 0.449 313 I N 5.165 125.330 120.570 -0.675 0.000 2.447 313 I HA 0.707 4.878 4.170 0.001 0.000 0.287 313 I C -0.888 174.762 176.117 -0.778 0.000 1.023 313 I CA -0.875 59.969 61.300 -0.760 0.000 1.083 313 I CB 1.574 38.901 38.000 -1.121 0.000 1.245 313 I HN 0.747 nan 8.210 nan 0.000 0.434 314 A N 4.659 127.140 122.820 -0.566 0.000 2.356 314 A HA 0.948 5.268 4.320 0.001 0.000 0.310 314 A C -0.310 177.095 177.584 -0.299 0.000 1.075 314 A CA -0.407 51.355 52.037 -0.459 0.000 0.746 314 A CB 1.695 20.378 19.000 -0.527 0.000 1.221 314 A HN 0.823 nan 8.150 nan 0.000 0.443 315 G N -0.554 107.969 108.800 -0.461 0.000 2.975 315 G HA2 0.782 4.742 3.960 0.001 0.000 0.291 315 G HA3 0.782 4.742 3.960 0.001 0.000 0.291 315 G C -0.792 173.657 174.900 -0.752 0.000 1.334 315 G CA -0.000 44.287 45.100 -1.355 0.000 0.843 315 G HN 1.115 nan 8.290 nan 0.000 0.548 316 T N -0.981 113.139 114.554 -0.724 0.000 2.733 316 T HA 0.466 4.816 4.350 0.001 0.000 0.312 316 T C -1.696 173.012 174.700 0.013 0.000 1.590 316 T CA -0.677 61.312 62.100 -0.184 0.000 1.005 316 T CB 1.526 70.315 68.868 -0.131 0.000 1.528 316 T HN 0.429 nan 8.240 nan 0.000 0.496 317 N N 2.512 121.272 118.700 0.099 0.000 2.443 317 N HA 0.294 5.034 4.740 0.001 0.000 0.295 317 N C 1.174 176.752 175.510 0.114 0.000 1.076 317 N CA -0.682 52.491 53.050 0.205 0.000 0.919 317 N CB 1.219 39.852 38.487 0.243 0.000 1.176 317 N HN 0.713 nan 8.380 nan 0.000 0.487 318 N N 1.758 120.511 118.700 0.088 0.000 2.364 318 N HA -0.129 4.612 4.740 0.001 0.000 0.183 318 N C 0.302 175.840 175.510 0.047 0.000 1.022 318 N CA 1.237 54.310 53.050 0.039 0.000 0.883 318 N CB 0.124 38.615 38.487 0.007 0.000 0.965 318 N HN 0.423 nan 8.380 nan 0.000 0.438 319 M N 0.452 120.101 119.600 0.082 0.000 2.496 319 M HA 0.137 4.617 4.480 0.001 0.000 0.330 319 M C 0.400 176.811 176.300 0.185 0.000 1.133 319 M CA -0.264 55.095 55.300 0.098 0.000 0.964 319 M CB 0.178 32.829 32.600 0.085 0.000 1.401 319 M HN -0.057 nan 8.290 nan 0.000 0.520 320 D N 1.266 121.777 120.400 0.185 0.000 2.160 320 D HA -0.184 4.456 4.640 0.001 0.000 0.189 320 D C 1.781 178.323 176.300 0.403 0.000 1.003 320 D CA 2.195 56.322 54.000 0.213 0.000 0.846 320 D CB -0.005 40.820 40.800 0.041 0.000 0.949 320 D HN 0.482 nan 8.370 nan 0.000 0.446 321 G N -0.538 108.531 108.800 0.448 0.000 2.448 321 G HA2 -0.292 3.668 3.960 0.001 0.000 0.219 321 G HA3 -0.292 3.668 3.960 0.001 0.000 0.219 321 G C 1.450 176.581 174.900 0.385 0.000 1.127 321 G CA 0.978 46.365 45.100 0.478 0.000 0.766 321 G HN 0.472 nan 8.290 nan 0.000 0.552 322 H N 0.406 119.581 119.070 0.175 0.000 2.292 322 H HA -0.202 4.355 4.556 0.001 0.000 0.292 322 H C 2.422 177.824 175.328 0.124 0.000 1.100 322 H CA 1.816 57.932 56.048 0.113 0.000 1.238 322 H CB -0.100 29.714 29.762 0.087 0.000 1.355 322 H HN 0.364 nan 8.280 nan 0.000 0.484 323 I N 0.256 120.786 120.570 -0.067 0.000 2.113 323 I HA -0.363 3.807 4.170 0.001 0.000 0.242 323 I C 1.917 177.863 176.117 -0.285 0.000 1.064 323 I CA 2.011 63.148 61.300 -0.273 0.000 1.320 323 I CB -0.374 37.403 38.000 -0.371 0.000 1.028 323 I HN 0.142 nan 8.210 nan 0.000 0.406 324 F N 1.171 121.130 119.950 0.014 0.000 2.186 324 F HA -0.074 4.453 4.527 0.000 0.000 0.299 324 F C 2.608 178.437 175.800 0.049 0.000 1.090 324 F CA 1.120 59.136 58.000 0.027 0.000 1.307 324 F CB -1.092 37.925 39.000 0.027 0.000 1.019 324 F HN 0.123 nan 8.300 nan 0.000 0.489 325 A N -0.251 122.704 122.820 0.226 0.000 1.902 325 A HA -0.181 4.140 4.320 0.001 0.000 0.217 325 A C 2.399 180.048 177.584 0.109 0.000 1.181 325 A CA 2.058 54.209 52.037 0.191 0.000 0.623 325 A CB -1.163 17.953 19.000 0.193 0.000 0.818 325 A HN 0.301 nan 8.150 nan 0.000 0.443 326 S N -0.223 115.454 115.700 -0.038 0.000 2.387 326 S HA -0.137 4.333 4.470 0.001 0.000 0.230 326 S C 1.694 176.307 174.600 0.022 0.000 1.035 326 S CA 1.624 59.794 58.200 -0.051 0.000 1.014 326 S CB -0.464 62.624 63.200 -0.186 0.000 0.836 326 S HN 0.560 nan 8.310 nan 0.000 0.466 327 I N 0.937 121.529 120.570 0.035 0.000 2.716 327 I HA -0.075 4.095 4.170 0.001 0.000 0.259 327 I C 1.516 177.693 176.117 0.100 0.000 1.172 327 I CA 0.779 62.113 61.300 0.056 0.000 1.478 327 I CB -0.178 37.851 38.000 0.048 0.000 1.104 327 I HN 0.134 nan 8.210 nan 0.000 0.439 328 D N 0.338 120.826 120.400 0.148 0.000 2.216 328 D HA -0.003 4.638 4.640 0.001 0.000 0.208 328 D C 1.077 177.479 176.300 0.169 0.000 0.960 328 D CA 1.032 55.138 54.000 0.177 0.000 0.861 328 D CB 0.280 41.229 40.800 0.249 0.000 0.985 328 D HN 0.144 nan 8.370 nan 0.000 0.493 329 M N 0.334 120.036 119.600 0.170 0.000 3.003 329 M HA 0.277 4.758 4.480 0.001 0.000 0.221 329 M C -2.304 174.075 176.300 0.131 0.000 1.126 329 M CA -1.945 53.457 55.300 0.170 0.000 0.778 329 M CB 1.840 34.574 32.600 0.222 0.000 1.380 329 M HN -0.300 nan 8.290 nan 0.000 0.508 330 P HA -0.261 nan 4.420 nan 0.000 0.219 330 P C 0.639 177.981 177.300 0.069 0.000 1.149 330 P CA 1.515 64.659 63.100 0.073 0.000 0.835 330 P CB -0.187 31.550 31.700 0.062 0.000 0.778 331 R N 0.085 120.635 120.500 0.083 0.000 2.236 331 R HA 0.032 4.373 4.340 0.001 0.000 0.208 331 R C 2.173 178.516 176.300 0.071 0.000 1.036 331 R CA 1.082 57.224 56.100 0.070 0.000 1.001 331 R CB -1.370 28.977 30.300 0.078 0.000 0.896 331 R HN 0.304 nan 8.270 nan 0.000 0.464 332 I N -0.630 120.008 120.570 0.114 0.000 2.657 332 I HA -0.149 4.022 4.170 0.001 0.000 0.261 332 I C 0.910 177.075 176.117 0.080 0.000 1.212 332 I CA 1.242 62.643 61.300 0.169 0.000 1.453 332 I CB -0.364 37.799 38.000 0.272 0.000 1.092 332 I HN 0.024 nan 8.210 nan 0.000 0.452 333 N N 1.249 119.933 118.700 -0.026 0.000 2.511 333 N HA 0.066 4.806 4.740 0.001 0.000 0.190 333 N C 0.173 175.597 175.510 -0.143 0.000 1.037 333 N CA 0.365 53.270 53.050 -0.242 0.000 0.895 333 N CB -0.046 38.317 38.487 -0.205 0.000 1.149 333 N HN 0.249 nan 8.380 nan 0.000 0.437 334 K N 1.764 122.142 120.400 -0.037 0.000 2.430 334 K HA 0.047 4.368 4.320 0.001 0.000 0.280 334 K C 1.148 177.729 176.600 -0.030 0.000 1.063 334 K CA 0.060 56.341 56.287 -0.010 0.000 1.071 334 K CB 0.193 32.701 32.500 0.013 0.000 0.899 334 K HN 0.250 nan 8.250 nan 0.000 0.473 335 G N 2.960 111.740 108.800 -0.035 0.000 2.572 335 G HA2 -0.221 3.740 3.960 0.001 0.000 0.216 335 G HA3 -0.221 3.740 3.960 0.001 0.000 0.216 335 G C 1.106 175.989 174.900 -0.029 0.000 1.133 335 G CA 0.213 45.285 45.100 -0.047 0.000 0.791 335 G HN 0.659 nan 8.290 nan 0.000 0.538 336 N N 0.058 118.750 118.700 -0.014 0.000 2.409 336 N HA 0.032 4.772 4.740 0.001 0.000 0.179 336 N C 0.809 176.318 175.510 -0.003 0.000 1.032 336 N CA 0.502 53.547 53.050 -0.008 0.000 0.898 336 N CB 0.086 38.573 38.487 -0.001 0.000 0.971 336 N HN 0.185 nan 8.380 nan 0.000 0.441 337 K N 0.015 120.416 120.400 0.002 0.000 2.139 337 K HA 0.341 4.661 4.320 0.001 0.000 0.243 337 K C -0.268 176.339 176.600 0.010 0.000 0.983 337 K CA -0.792 55.502 56.287 0.012 0.000 0.890 337 K CB 1.495 34.009 32.500 0.024 0.000 1.090 337 K HN 0.224 nan 8.250 nan 0.000 0.445 338 K N -1.278 119.135 120.400 0.021 0.000 2.444 338 K HA 0.480 4.800 4.320 0.001 0.000 0.252 338 K C -1.305 175.326 176.600 0.052 0.000 0.993 338 K CA -0.991 55.307 56.287 0.019 0.000 0.847 338 K CB 1.925 34.425 32.500 0.000 0.000 1.340 338 K HN 0.258 nan 8.250 nan 0.000 0.446 339 V N 2.939 122.886 119.914 0.056 0.000 2.333 339 V HA 0.191 4.311 4.120 0.001 0.000 0.274 339 V C 0.347 176.522 176.094 0.135 0.000 1.028 339 V CA -0.012 62.362 62.300 0.122 0.000 0.851 339 V CB 0.761 32.682 31.823 0.164 0.000 1.000 339 V HN 1.041 nan 8.190 nan 0.000 0.456 340 T N 3.275 117.938 114.554 0.182 0.000 3.193 340 T HA 0.135 4.486 4.350 0.001 0.000 0.407 340 T C 0.839 175.779 174.700 0.400 0.000 1.146 340 T CA 0.892 63.120 62.100 0.214 0.000 1.085 340 T CB 0.268 69.248 68.868 0.186 0.000 1.424 340 T HN 0.726 nan 8.240 nan 0.000 0.521 341 E N -0.371 120.086 120.200 0.429 0.000 2.413 341 E HA 0.058 4.409 4.350 0.001 0.000 0.203 341 E C 2.311 179.186 176.600 0.460 0.000 0.957 341 E CA 0.061 56.852 56.400 0.653 0.000 0.950 341 E CB 0.274 30.296 29.700 0.537 0.000 0.957 341 E HN 0.699 nan 8.360 nan 0.000 0.497 342 E N 1.702 122.067 120.200 0.275 0.000 2.006 342 E HA -0.181 4.170 4.350 0.001 0.000 0.192 342 E C 1.518 178.279 176.600 0.269 0.000 0.993 342 E CA 1.048 57.557 56.400 0.182 0.000 0.808 342 E CB -0.059 29.712 29.700 0.119 0.000 0.764 342 E HN 0.158 nan 8.360 nan 0.000 0.449 343 D N 0.605 121.168 120.400 0.272 0.000 2.204 343 D HA -0.226 4.415 4.640 0.001 0.000 0.189 343 D C 1.816 178.314 176.300 0.329 0.000 1.006 343 D CA 1.274 55.438 54.000 0.273 0.000 0.855 343 D CB -0.442 40.523 40.800 0.275 0.000 0.946 343 D HN 0.061 nan 8.370 nan 0.000 0.448 344 F N 0.505 120.638 119.950 0.305 0.000 2.126 344 F HA -0.246 4.282 4.527 0.001 0.000 0.299 344 F C 2.365 178.290 175.800 0.208 0.000 1.096 344 F CA 1.137 59.286 58.000 0.248 0.000 1.255 344 F CB -0.719 38.447 39.000 0.277 0.000 0.997 344 F HN -0.027 nan 8.300 nan 0.000 0.479 345 Y N 1.331 121.724 120.300 0.155 0.000 2.181 345 Y HA -0.206 4.345 4.550 0.001 0.000 0.288 345 Y C 2.274 178.093 175.900 -0.135 0.000 1.146 345 Y CA 2.161 60.210 58.100 -0.084 0.000 1.164 345 Y CB -0.466 37.792 38.460 -0.336 0.000 0.982 345 Y HN 0.015 nan 8.280 nan 0.000 0.515 346 K N -0.425 120.014 120.400 0.064 0.000 2.280 346 K HA -0.169 4.152 4.320 0.001 0.000 0.202 346 K C 1.815 178.382 176.600 -0.056 0.000 1.047 346 K CA 1.321 57.616 56.287 0.013 0.000 0.942 346 K CB -0.292 32.265 32.500 0.096 0.000 0.739 346 K HN 0.311 nan 8.250 nan 0.000 0.457 347 L N 0.990 122.169 121.223 -0.072 0.000 2.022 347 L HA -0.128 4.213 4.340 0.001 0.000 0.204 347 L C 2.238 179.128 176.870 0.034 0.000 1.076 347 L CA 1.225 56.080 54.840 0.025 0.000 0.749 347 L CB -0.608 41.484 42.059 0.054 0.000 0.903 347 L HN 0.051 nan 8.230 nan 0.000 0.439 348 V N -1.439 118.214 119.914 -0.434 0.000 2.453 348 V HA -0.249 3.872 4.120 0.001 0.000 0.252 348 V C 2.473 178.457 176.094 -0.182 0.000 1.068 348 V CA 2.234 64.268 62.300 -0.442 0.000 1.070 348 V CB -1.779 29.453 31.823 -0.986 0.000 0.664 348 V HN 0.720 nan 8.190 nan 0.000 0.461 349 S N -0.883 114.607 115.700 -0.350 0.000 2.423 349 S HA -0.114 4.357 4.470 0.001 0.000 0.231 349 S C 1.901 176.416 174.600 -0.143 0.000 1.014 349 S CA 1.151 59.162 58.200 -0.315 0.000 0.965 349 S CB -0.460 62.489 63.200 -0.418 0.000 0.785 349 S HN 0.676 nan 8.310 nan 0.000 0.495 350 E N 0.451 120.591 120.200 -0.100 0.000 2.371 350 E HA 0.174 4.524 4.350 0.001 0.000 0.194 350 E C 0.066 176.503 176.600 -0.272 0.000 1.012 350 E CA 0.310 56.610 56.400 -0.166 0.000 0.860 350 E CB -0.123 29.466 29.700 -0.185 0.000 0.811 350 E HN 0.711 nan 8.360 nan 0.000 0.502 351 F N 1.332 121.249 119.950 -0.055 0.000 2.713 351 F HA 0.058 4.585 4.527 0.001 0.000 0.294 351 F C 0.466 176.219 175.800 -0.079 0.000 1.152 351 F CA -0.123 57.841 58.000 -0.061 0.000 1.385 351 F CB -0.142 38.852 39.000 -0.010 0.000 0.981 351 F HN -0.272 nan 8.300 nan 0.000 0.514 352 T N -0.798 113.756 114.554 -0.000 0.000 2.754 352 T HA 0.100 4.451 4.350 0.001 0.000 0.282 352 T C 1.069 175.744 174.700 -0.043 0.000 0.923 352 T CA 0.033 62.113 62.100 -0.034 0.000 1.164 352 T CB 0.887 69.711 68.868 -0.074 0.000 0.873 352 T HN 0.409 nan 8.240 nan 0.000 0.537 353 I N 2.921 123.479 120.570 -0.021 0.000 4.082 353 I HA 0.078 4.249 4.170 0.001 0.000 0.337 353 I C 0.905 177.006 176.117 -0.027 0.000 1.352 353 I CA 0.055 61.335 61.300 -0.033 0.000 1.097 353 I CB 0.541 38.524 38.000 -0.027 0.000 1.048 353 I HN 0.816 nan 8.210 nan 0.000 0.393 354 T N -1.471 113.071 114.554 -0.020 0.000 3.401 354 T HA 0.313 4.664 4.350 0.001 0.000 0.341 354 T C 0.036 174.724 174.700 -0.020 0.000 1.674 354 T CA -0.765 61.326 62.100 -0.014 0.000 1.600 354 T CB 0.303 69.171 68.868 0.000 0.000 0.974 354 T HN -0.184 nan 8.240 nan 0.000 0.672 355 K N 1.658 122.042 120.400 -0.028 0.000 2.494 355 K HA 0.483 4.804 4.320 0.001 0.000 0.273 355 K C 1.020 177.612 176.600 -0.013 0.000 0.970 355 K CA 1.355 57.625 56.287 -0.028 0.000 0.963 355 K CB 0.294 32.774 32.500 -0.032 0.000 0.913 355 K HN 1.210 nan 8.250 nan 0.000 0.502 356 G N 0.673 109.469 108.800 -0.007 0.000 2.617 356 G HA2 -0.174 3.786 3.960 0.001 0.000 0.686 356 G HA3 -0.174 3.786 3.960 0.001 0.000 0.686 356 G C 0.737 175.651 174.900 0.023 0.000 1.214 356 G CA -0.438 44.666 45.100 0.007 0.000 0.796 356 G HN 0.456 nan 8.290 nan 0.000 0.654 357 L N 0.819 122.064 121.223 0.037 0.000 1.978 357 L HA -0.260 4.081 4.340 0.001 0.000 0.218 357 L C 3.281 180.193 176.870 0.070 0.000 1.075 357 L CA 2.870 57.749 54.840 0.065 0.000 0.767 357 L CB -0.708 41.375 42.059 0.041 0.000 0.890 357 L HN 0.930 nan 8.230 nan 0.000 0.434 358 R N 0.580 121.108 120.500 0.046 0.000 2.264 358 R HA -0.222 4.119 4.340 0.001 0.000 0.223 358 R C 2.178 178.512 176.300 0.057 0.000 1.090 358 R CA 1.892 58.020 56.100 0.047 0.000 0.857 358 R CB -1.963 28.356 30.300 0.031 0.000 0.835 358 R HN 0.245 nan 8.270 nan 0.000 0.428 359 G N 0.426 109.249 108.800 0.038 0.000 2.681 359 G HA2 -0.389 3.571 3.960 0.001 0.000 0.220 359 G HA3 -0.389 3.571 3.960 0.001 0.000 0.220 359 G C 1.814 176.734 174.900 0.033 0.000 1.210 359 G CA 2.095 47.217 45.100 0.035 0.000 0.783 359 G HN 0.729 nan 8.290 nan 0.000 0.609 360 A N 0.395 123.208 122.820 -0.011 0.000 1.892 360 A HA -0.130 4.191 4.320 0.001 0.000 0.218 360 A C 2.416 180.022 177.584 0.037 0.000 1.188 360 A CA 2.445 54.413 52.037 -0.115 0.000 0.631 360 A CB -0.375 18.444 19.000 -0.301 0.000 0.822 360 A HN 0.326 nan 8.150 nan 0.000 0.447 361 K N -0.561 119.958 120.400 0.199 0.000 2.026 361 K HA -0.101 4.220 4.320 0.001 0.000 0.208 361 K C 2.131 178.875 176.600 0.240 0.000 1.048 361 K CA 1.779 58.243 56.287 0.295 0.000 0.929 361 K CB -1.255 31.350 32.500 0.176 0.000 0.713 361 K HN 0.577 nan 8.250 nan 0.000 0.439 362 T N 1.366 116.011 114.554 0.152 0.000 2.580 362 T HA -0.160 4.191 4.350 0.001 0.000 0.265 362 T C 2.048 176.841 174.700 0.154 0.000 1.063 362 T CA 2.363 64.541 62.100 0.131 0.000 1.170 362 T CB -0.705 68.220 68.868 0.095 0.000 0.863 362 T HN 0.276 nan 8.240 nan 0.000 0.418 363 T N 1.774 116.411 114.554 0.139 0.000 2.665 363 T HA -0.118 4.233 4.350 0.001 0.000 0.268 363 T C 1.532 176.329 174.700 0.162 0.000 1.035 363 T CA 1.481 63.678 62.100 0.163 0.000 1.151 363 T CB -0.659 68.258 68.868 0.082 0.000 0.862 363 T HN 0.348 nan 8.240 nan 0.000 0.438 364 F N 2.554 122.491 119.950 -0.022 0.000 2.025 364 F HA -0.215 4.312 4.527 0.001 0.000 0.297 364 F C 1.980 177.814 175.800 0.058 0.000 1.132 364 F CA 1.904 59.903 58.000 -0.002 0.000 1.191 364 F CB -0.483 38.574 39.000 0.095 0.000 0.963 364 F HN 0.078 nan 8.300 nan 0.000 0.481 365 D N 0.144 120.704 120.400 0.266 0.000 2.190 365 D HA -0.183 4.458 4.640 0.001 0.000 0.200 365 D C 2.431 178.714 176.300 -0.030 0.000 0.992 365 D CA 1.570 55.640 54.000 0.116 0.000 0.854 365 D CB -0.701 40.200 40.800 0.168 0.000 0.936 365 D HN 0.269 nan 8.370 nan 0.000 0.462 366 V N -0.007 119.927 119.914 0.033 0.000 2.223 366 V HA -0.245 3.876 4.120 0.001 0.000 0.244 366 V C 1.450 177.492 176.094 -0.086 0.000 1.045 366 V CA 1.312 63.622 62.300 0.016 0.000 1.000 366 V CB -0.785 31.119 31.823 0.134 0.000 0.635 366 V HN 0.187 nan 8.190 nan 0.000 0.445 367 Y N 1.482 121.680 120.300 -0.170 0.000 2.497 367 Y HA 0.091 4.642 4.550 0.001 0.000 0.345 367 Y C 1.582 177.111 175.900 -0.619 0.000 1.204 367 Y CA 0.868 58.833 58.100 -0.225 0.000 1.265 367 Y CB -0.818 37.636 38.460 -0.009 0.000 1.121 367 Y HN 0.532 nan 8.280 nan 0.000 0.493 368 T N -6.865 107.388 114.554 -0.502 0.000 3.326 368 T HA 0.069 4.420 4.350 0.001 0.000 0.302 368 T C 1.106 175.714 174.700 -0.153 0.000 0.908 368 T CA -0.238 61.453 62.100 -0.681 0.000 0.933 368 T CB -0.145 68.039 68.868 -1.140 0.000 1.194 368 T HN 0.221 nan 8.240 nan 0.000 0.585 369 E N 1.892 122.027 120.200 -0.109 0.000 2.253 369 E HA -0.116 4.235 4.350 0.001 0.000 0.202 369 E C 0.643 177.263 176.600 0.033 0.000 1.014 369 E CA 1.371 57.755 56.400 -0.026 0.000 0.823 369 E CB -0.071 29.605 29.700 -0.040 0.000 0.736 369 E HN 0.446 nan 8.360 nan 0.000 0.478 370 S N -1.114 114.630 115.700 0.074 0.000 2.751 370 S HA 0.093 4.563 4.470 0.001 0.000 0.247 370 S C -0.153 174.558 174.600 0.186 0.000 1.103 370 S CA -0.649 57.612 58.200 0.101 0.000 1.090 370 S CB 0.118 63.355 63.200 0.062 0.000 0.928 370 S HN 0.302 nan 8.310 nan 0.000 0.502 371 W N 1.880 123.148 121.300 -0.053 0.000 2.539 371 W HA 0.296 4.956 4.660 0.001 0.000 0.281 371 W C 2.227 178.735 176.519 -0.018 0.000 1.220 371 W CA 0.553 57.864 57.345 -0.057 0.000 1.332 371 W CB -0.362 29.040 29.460 -0.096 0.000 1.095 371 W HN 0.429 nan 8.180 nan 0.000 0.571 372 A N -0.929 122.032 122.820 0.235 0.000 2.067 372 A HA -0.147 4.173 4.320 0.001 0.000 0.217 372 A C 1.794 179.426 177.584 0.081 0.000 1.156 372 A CA 1.304 53.428 52.037 0.145 0.000 0.683 372 A CB -0.482 18.597 19.000 0.132 0.000 0.808 372 A HN 0.373 nan 8.150 nan 0.000 0.455 373 Q N -0.849 118.994 119.800 0.073 0.000 2.246 373 Q HA 0.051 4.392 4.340 0.001 0.000 0.202 373 Q C -0.755 175.258 176.000 0.023 0.000 0.883 373 Q CA 0.274 56.103 55.803 0.042 0.000 0.952 373 Q CB 0.406 29.168 28.738 0.040 0.000 1.078 373 Q HN 0.468 nan 8.270 nan 0.000 0.493 374 D N 0.009 120.416 120.400 0.011 0.000 4.239 374 D HA 0.037 4.677 4.640 0.001 0.000 0.242 374 D C -2.557 173.684 176.300 -0.099 0.000 1.453 374 D CA -0.656 53.327 54.000 -0.028 0.000 0.841 374 D CB 0.717 41.510 40.800 -0.013 0.000 1.362 374 D HN 0.123 nan 8.370 nan 0.000 0.855 375 P HA 0.029 nan 4.420 nan 0.000 0.269 375 P C 0.195 177.357 177.300 -0.230 0.000 1.601 375 P CA 0.035 62.998 63.100 -0.229 0.000 0.831 375 P CB -0.881 30.742 31.700 -0.128 0.000 1.688 376 S N -0.395 115.194 115.700 -0.185 0.000 2.533 376 S HA 0.082 4.553 4.470 0.001 0.000 0.282 376 S C 1.453 175.939 174.600 -0.190 0.000 1.304 376 S CA -0.597 57.517 58.200 -0.143 0.000 1.063 376 S CB 1.042 64.185 63.200 -0.094 0.000 0.881 376 S HN 0.052 nan 8.310 nan 0.000 0.493 377 Q N 1.514 121.221 119.800 -0.154 0.000 2.325 377 Q HA -0.208 4.133 4.340 0.001 0.000 0.211 377 Q C 1.835 177.776 176.000 -0.099 0.000 0.988 377 Q CA 1.694 57.410 55.803 -0.146 0.000 0.887 377 Q CB -0.322 28.360 28.738 -0.094 0.000 0.915 377 Q HN 0.989 nan 8.270 nan 0.000 0.440 378 E N 0.071 120.225 120.200 -0.077 0.000 2.106 378 E HA -0.166 4.184 4.350 0.001 0.000 0.192 378 E C 1.593 178.240 176.600 0.079 0.000 0.984 378 E CA 0.955 57.355 56.400 0.001 0.000 0.806 378 E CB 0.121 29.801 29.700 -0.033 0.000 0.750 378 E HN 0.241 nan 8.360 nan 0.000 0.458 379 N N 0.264 118.930 118.700 -0.056 0.000 2.376 379 N HA -0.057 4.683 4.740 0.001 0.000 0.177 379 N C 1.404 176.791 175.510 -0.204 0.000 1.024 379 N CA 0.836 53.837 53.050 -0.081 0.000 0.893 379 N CB 0.227 38.635 38.487 -0.133 0.000 0.980 379 N HN 0.020 nan 8.380 nan 0.000 0.439 380 K N 0.260 120.390 120.400 -0.449 0.000 2.031 380 K HA -0.009 4.312 4.320 0.001 0.000 0.205 380 K C 1.711 178.287 176.600 -0.040 0.000 1.049 380 K CA 1.081 56.986 56.287 -0.636 0.000 0.939 380 K CB 0.037 32.002 32.500 -0.892 0.000 0.717 380 K HN 0.146 nan 8.250 nan 0.000 0.438 381 K N 0.905 121.335 120.400 0.050 0.000 2.148 381 K HA -0.119 4.202 4.320 0.001 0.000 0.204 381 K C 1.997 178.712 176.600 0.193 0.000 1.050 381 K CA 1.001 57.419 56.287 0.218 0.000 0.942 381 K CB 0.026 32.732 32.500 0.343 0.000 0.724 381 K HN 0.009 nan 8.250 nan 0.000 0.446 382 K N 0.353 120.875 120.400 0.203 0.000 2.283 382 K HA -0.067 4.253 4.320 0.001 0.000 0.202 382 K C 1.759 178.354 176.600 -0.010 0.000 1.048 382 K CA 1.098 57.372 56.287 -0.021 0.000 0.948 382 K CB 0.185 32.773 32.500 0.146 0.000 0.742 382 K HN 0.034 nan 8.250 nan 0.000 0.458 383 T N -0.077 114.539 114.554 0.103 0.000 2.894 383 T HA -0.051 4.300 4.350 0.001 0.000 0.258 383 T C 1.685 176.499 174.700 0.190 0.000 1.043 383 T CA 0.947 63.136 62.100 0.147 0.000 1.141 383 T CB 0.101 69.094 68.868 0.208 0.000 0.873 383 T HN -0.057 nan 8.240 nan 0.000 0.449 384 V N 1.491 121.523 119.914 0.197 0.000 2.332 384 V HA -0.148 3.973 4.120 0.001 0.000 0.248 384 V C 2.603 178.887 176.094 0.318 0.000 1.055 384 V CA 1.333 63.868 62.300 0.391 0.000 1.038 384 V CB -0.810 31.238 31.823 0.376 0.000 0.651 384 V HN 0.296 nan 8.190 nan 0.000 0.450 385 V N 0.487 120.493 119.914 0.153 0.000 2.261 385 V HA -0.255 3.866 4.120 0.001 0.000 0.246 385 V C 2.295 178.451 176.094 0.104 0.000 1.047 385 V CA 2.351 64.701 62.300 0.083 0.000 1.015 385 V CB -0.733 30.989 31.823 -0.169 0.000 0.642 385 V HN 0.545 nan 8.190 nan 0.000 0.446 386 D N -0.511 119.949 120.400 0.099 0.000 2.144 386 D HA -0.171 4.469 4.640 0.001 0.000 0.199 386 D C 1.825 178.255 176.300 0.218 0.000 0.984 386 D CA 1.122 55.208 54.000 0.142 0.000 0.834 386 D CB -0.397 40.492 40.800 0.148 0.000 0.955 386 D HN 0.451 nan 8.370 nan 0.000 0.465 387 F N 2.020 122.056 119.950 0.143 0.000 2.134 387 F HA -0.156 4.372 4.527 0.001 0.000 0.299 387 F C 2.050 177.726 175.800 -0.207 0.000 1.097 387 F CA 1.288 59.248 58.000 -0.066 0.000 1.264 387 F CB 0.073 39.009 39.000 -0.107 0.000 1.001 387 F HN -0.176 nan 8.300 nan 0.000 0.479 388 E N -0.188 119.918 120.200 -0.158 0.000 2.051 388 E HA -0.169 4.182 4.350 0.001 0.000 0.192 388 E C 2.246 178.698 176.600 -0.247 0.000 0.991 388 E CA 1.909 58.136 56.400 -0.288 0.000 0.799 388 E CB -0.856 28.870 29.700 0.044 0.000 0.748 388 E HN 0.378 nan 8.360 nan 0.000 0.449 389 T N 2.030 116.574 114.554 -0.016 0.000 2.652 389 T HA -0.157 4.194 4.350 0.001 0.000 0.267 389 T C 1.426 176.135 174.700 0.016 0.000 1.039 389 T CA 1.691 63.860 62.100 0.115 0.000 1.153 389 T CB -0.328 68.629 68.868 0.148 0.000 0.863 389 T HN 0.094 nan 8.240 nan 0.000 0.428 390 D N 0.596 120.968 120.400 -0.046 0.000 2.117 390 D HA -0.061 4.580 4.640 0.001 0.000 0.197 390 D C 2.300 178.467 176.300 -0.221 0.000 0.987 390 D CA 0.734 54.705 54.000 -0.050 0.000 0.829 390 D CB -0.539 40.316 40.800 0.092 0.000 0.961 390 D HN 0.218 nan 8.370 nan 0.000 0.460 391 V N 1.140 120.745 119.914 -0.515 0.000 2.244 391 V HA -0.192 3.928 4.120 0.001 0.000 0.244 391 V C 2.671 178.490 176.094 -0.459 0.000 1.042 391 V CA 1.192 63.114 62.300 -0.630 0.000 1.006 391 V CB -0.500 30.603 31.823 -1.199 0.000 0.641 391 V HN 0.171 nan 8.190 nan 0.000 0.446 392 L N -1.969 118.928 121.223 -0.543 0.000 2.156 392 L HA -0.050 4.290 4.340 0.001 0.000 0.208 392 L C 2.061 178.524 176.870 -0.679 0.000 1.095 392 L CA 1.582 56.028 54.840 -0.658 0.000 0.770 392 L CB -0.274 41.055 42.059 -1.217 0.000 0.914 392 L HN 0.325 nan 8.230 nan 0.000 0.439 393 F N -2.857 117.106 119.950 0.022 0.000 2.268 393 F HA 0.095 4.623 4.527 0.000 0.000 0.262 393 F C 1.647 177.443 175.800 -0.007 0.000 0.910 393 F CA -0.386 57.655 58.000 0.068 0.000 1.142 393 F CB -0.798 38.272 39.000 0.116 0.000 1.229 393 F HN -0.313 nan 8.300 nan 0.000 0.781 394 L N 0.771 122.105 121.223 0.185 0.000 2.042 394 L HA -0.105 4.236 4.340 0.001 0.000 0.210 394 L C 2.066 178.950 176.870 0.025 0.000 1.076 394 L CA 1.611 56.495 54.840 0.072 0.000 0.749 394 L CB -0.772 41.323 42.059 0.059 0.000 0.893 394 L HN 0.049 nan 8.230 nan 0.000 0.432 395 V N 0.128 120.035 119.914 -0.012 0.000 2.270 395 V HA -0.147 3.973 4.120 0.001 0.000 0.245 395 V C -0.080 175.866 176.094 -0.246 0.000 1.043 395 V CA 2.010 64.263 62.300 -0.078 0.000 1.014 395 V CB -1.622 30.138 31.823 -0.105 0.000 0.645 395 V HN 0.317 nan 8.190 nan 0.000 0.447 396 P HA -0.131 nan 4.420 nan 0.000 0.216 396 P C 1.757 178.957 177.300 -0.167 0.000 1.150 396 P CA 1.736 64.689 63.100 -0.244 0.000 0.843 396 P CB -0.162 31.410 31.700 -0.213 0.000 0.787 397 T N -0.816 113.689 114.554 -0.083 0.000 2.777 397 T HA -0.126 4.224 4.350 0.001 0.000 0.266 397 T C 1.617 176.266 174.700 -0.085 0.000 1.040 397 T CA 1.203 63.272 62.100 -0.051 0.000 1.141 397 T CB -0.607 68.241 68.868 -0.034 0.000 0.868 397 T HN 0.307 nan 8.240 nan 0.000 0.444 398 E N 0.429 120.591 120.200 -0.062 0.000 2.110 398 E HA -0.044 4.306 4.350 0.001 0.000 0.193 398 E C 2.099 178.690 176.600 -0.016 0.000 0.988 398 E CA 0.826 57.247 56.400 0.034 0.000 0.804 398 E CB -0.188 29.687 29.700 0.292 0.000 0.745 398 E HN 0.491 nan 8.360 nan 0.000 0.458 399 I N 0.773 121.185 120.570 -0.263 0.000 2.286 399 I HA -0.202 3.969 4.170 0.001 0.000 0.245 399 I C 2.529 178.479 176.117 -0.278 0.000 1.104 399 I CA 0.699 61.774 61.300 -0.374 0.000 1.397 399 I CB -0.264 37.341 38.000 -0.659 0.000 1.072 399 I HN 0.066 nan 8.210 nan 0.000 0.417 400 A N 1.223 123.912 122.820 -0.218 0.000 1.877 400 A HA -0.168 4.152 4.320 0.001 0.000 0.216 400 A C 2.303 179.858 177.584 -0.049 0.000 1.186 400 A CA 1.467 53.417 52.037 -0.145 0.000 0.620 400 A CB -0.880 18.185 19.000 0.109 0.000 0.822 400 A HN 0.360 nan 8.150 nan 0.000 0.443 401 L N -0.790 120.394 121.223 -0.064 0.000 2.046 401 L HA -0.211 4.129 4.340 0.001 0.000 0.208 401 L C 3.135 179.956 176.870 -0.082 0.000 1.077 401 L CA 1.092 55.829 54.840 -0.172 0.000 0.747 401 L CB -0.626 41.069 42.059 -0.606 0.000 0.896 401 L HN 0.446 nan 8.230 nan 0.000 0.432 402 A N -0.661 122.148 122.820 -0.018 0.000 1.865 402 A HA -0.254 4.067 4.320 0.001 0.000 0.217 402 A C 2.262 179.872 177.584 0.043 0.000 1.191 402 A CA 1.574 53.700 52.037 0.148 0.000 0.623 402 A CB -0.503 18.583 19.000 0.142 0.000 0.826 402 A HN 0.396 nan 8.150 nan 0.000 0.444 403 Q N -1.081 118.620 119.800 -0.165 0.000 2.167 403 Q HA -0.162 4.178 4.340 0.001 0.000 0.202 403 Q C 1.997 177.926 176.000 -0.119 0.000 0.970 403 Q CA 1.530 57.137 55.803 -0.326 0.000 0.855 403 Q CB -0.560 27.591 28.738 -0.978 0.000 0.911 403 Q HN 0.913 nan 8.270 nan 0.000 0.438 404 H N 0.445 119.496 119.070 -0.032 0.000 2.307 404 H HA -0.072 4.485 4.556 0.001 0.000 0.303 404 H C 2.124 177.537 175.328 0.142 0.000 1.073 404 H CA 1.750 57.907 56.048 0.183 0.000 1.338 404 H CB 0.417 30.326 29.762 0.246 0.000 1.389 404 H HN 0.010 nan 8.280 nan 0.000 0.503 405 R N 1.322 121.965 120.500 0.238 0.000 2.081 405 R HA -0.037 4.304 4.340 0.001 0.000 0.235 405 R C 2.334 178.677 176.300 0.071 0.000 1.131 405 R CA 1.702 57.919 56.100 0.194 0.000 0.960 405 R CB -1.115 29.400 30.300 0.359 0.000 0.856 405 R HN 0.322 nan 8.270 nan 0.000 0.436 406 A N -0.025 122.837 122.820 0.070 0.000 2.178 406 A HA -0.076 4.245 4.320 0.001 0.000 0.218 406 A C 1.265 178.848 177.584 -0.003 0.000 1.157 406 A CA 1.590 53.645 52.037 0.029 0.000 0.689 406 A CB -0.315 18.701 19.000 0.026 0.000 0.787 406 A HN 0.500 nan 8.150 nan 0.000 0.465 407 N N -1.104 117.576 118.700 -0.032 0.000 2.159 407 N HA 0.227 4.968 4.740 0.001 0.000 0.217 407 N C 0.463 175.912 175.510 -0.101 0.000 1.223 407 N CA 0.578 53.598 53.050 -0.050 0.000 0.896 407 N CB 0.392 38.868 38.487 -0.019 0.000 1.064 407 N HN 0.389 nan 8.380 nan 0.000 0.518 408 A N 1.268 124.007 122.820 -0.135 0.000 2.507 408 A HA 0.144 4.464 4.320 0.001 0.000 0.235 408 A C 1.035 178.583 177.584 -0.060 0.000 1.070 408 A CA 0.569 52.525 52.037 -0.135 0.000 0.768 408 A CB 0.741 19.692 19.000 -0.083 0.000 1.011 408 A HN 0.129 nan 8.150 nan 0.000 0.502 409 K N -0.322 120.052 120.400 -0.043 0.000 2.641 409 K HA 0.047 4.368 4.320 0.001 0.000 0.222 409 K C 2.039 178.636 176.600 -0.005 0.000 1.474 409 K CA 0.828 57.102 56.287 -0.022 0.000 0.873 409 K CB 0.020 32.505 32.500 -0.025 0.000 1.817 409 K HN 0.775 nan 8.250 nan 0.000 0.419 410 S N 1.141 116.842 115.700 0.002 0.000 2.468 410 S HA 0.237 4.707 4.470 0.001 0.000 0.226 410 S C 1.061 175.687 174.600 0.044 0.000 1.051 410 S CA -0.116 58.094 58.200 0.018 0.000 0.943 410 S CB -0.038 63.170 63.200 0.013 0.000 0.810 410 S HN 0.280 nan 8.310 nan 0.000 0.509 411 A N 2.488 125.340 122.820 0.053 0.000 2.565 411 A HA 0.322 4.642 4.320 0.001 0.000 0.237 411 A C 0.256 177.944 177.584 0.173 0.000 1.053 411 A CA 0.109 52.224 52.037 0.132 0.000 0.755 411 A CB -0.002 19.086 19.000 0.147 0.000 0.980 411 A HN 0.529 nan 8.150 nan 0.000 0.506 412 K N 0.934 121.479 120.400 0.240 0.000 2.123 412 K HA 0.615 4.936 4.320 0.001 0.000 0.248 412 K C -0.695 176.053 176.600 0.247 0.000 0.969 412 K CA -0.415 55.984 56.287 0.185 0.000 0.882 412 K CB 1.747 34.369 32.500 0.203 0.000 1.080 412 K HN 0.687 nan 8.250 nan 0.000 0.441 413 T N 1.491 116.044 114.554 -0.002 0.000 2.861 413 T HA 0.479 4.830 4.350 0.001 0.000 0.287 413 T C -1.396 173.085 174.700 -0.366 0.000 1.003 413 T CA -0.688 61.427 62.100 0.024 0.000 0.977 413 T CB 0.466 69.513 68.868 0.298 0.000 0.996 413 T HN 0.319 nan 8.240 nan 0.000 0.448 414 Y N 0.547 120.750 120.300 -0.161 0.000 2.512 414 Y HA 0.704 5.255 4.550 0.001 0.000 0.348 414 Y C -0.055 175.835 175.900 -0.018 0.000 0.990 414 Y CA -1.150 56.825 58.100 -0.209 0.000 1.033 414 Y CB 2.030 39.953 38.460 -0.894 0.000 1.259 414 Y HN 0.846 nan 8.280 nan 0.000 0.461 415 A N 2.527 125.663 122.820 0.528 0.000 2.386 415 A HA 0.845 5.165 4.320 0.001 0.000 0.311 415 A C -1.889 176.086 177.584 0.651 0.000 1.068 415 A CA -0.723 51.555 52.037 0.401 0.000 0.743 415 A CB 0.893 20.020 19.000 0.211 0.000 1.258 415 A HN 0.777 nan 8.150 nan 0.000 0.429 416 Y N 0.091 120.573 120.300 0.303 0.000 2.581 416 Y HA 0.819 5.369 4.550 0.001 0.000 0.345 416 Y C -1.580 174.359 175.900 0.066 0.000 1.036 416 Y CA -1.746 56.399 58.100 0.076 0.000 1.042 416 Y CB 1.504 39.914 38.460 -0.084 0.000 1.289 416 Y HN 0.663 nan 8.280 nan 0.000 0.471 417 L N 3.733 125.083 121.223 0.211 0.000 2.381 417 L HA 0.560 4.900 4.340 0.001 0.000 0.274 417 L C -2.029 175.043 176.870 0.337 0.000 0.988 417 L CA -0.902 53.998 54.840 0.100 0.000 0.824 417 L CB 1.392 43.443 42.059 -0.013 0.000 1.263 417 L HN 0.714 nan 8.230 nan 0.000 0.410 418 F N 3.969 124.060 119.950 0.236 0.000 2.361 418 F HA 0.502 5.030 4.527 0.001 0.000 0.364 418 F C 0.324 176.184 175.800 0.100 0.000 1.120 418 F CA 0.121 58.239 58.000 0.197 0.000 1.102 418 F CB 1.404 40.570 39.000 0.276 0.000 1.183 418 F HN 0.568 nan 8.300 nan 0.000 0.476 419 S N 3.339 118.763 115.700 -0.461 0.000 2.749 419 S HA 0.043 4.514 4.470 0.001 0.000 0.246 419 S C -0.463 173.883 174.600 -0.423 0.000 1.023 419 S CA -0.288 57.714 58.200 -0.331 0.000 1.012 419 S CB -0.643 62.478 63.200 -0.132 0.000 0.942 419 S HN 0.715 nan 8.310 nan 0.000 0.531 420 H N 4.441 122.947 119.070 -0.940 0.000 2.767 420 H HA 0.295 4.851 4.556 0.001 0.000 0.316 420 H C -2.750 172.365 175.328 -0.356 0.000 1.059 420 H CA -1.430 54.236 56.048 -0.637 0.000 1.461 420 H CB 0.693 29.984 29.762 -0.784 0.000 1.475 420 H HN 0.038 nan 8.280 nan 0.000 0.531 421 P HA 0.074 nan 4.420 nan 0.000 0.287 421 P C -0.088 176.838 177.300 -0.624 0.000 1.281 421 P CA -0.293 62.534 63.100 -0.454 0.000 0.781 421 P CB 1.602 33.153 31.700 -0.248 0.000 0.903 422 S N 2.941 118.499 115.700 -0.237 0.000 2.414 422 S HA 0.019 4.490 4.470 0.001 0.000 0.227 422 S C 1.165 175.761 174.600 -0.007 0.000 1.022 422 S CA 0.712 58.915 58.200 0.004 0.000 0.958 422 S CB -0.057 63.273 63.200 0.218 0.000 0.797 422 S HN 0.481 nan 8.310 nan 0.000 0.493 423 R N -0.387 120.083 120.500 -0.051 0.000 3.149 423 R HA 0.559 4.899 4.340 0.001 0.000 0.213 423 R C -0.553 175.709 176.300 -0.063 0.000 1.639 423 R CA -0.812 55.257 56.100 -0.052 0.000 0.930 423 R CB 0.075 30.343 30.300 -0.053 0.000 2.313 423 R HN 0.135 nan 8.270 nan 0.000 0.533 424 M N 1.842 121.404 119.600 -0.063 0.000 2.180 424 M HA 0.367 4.848 4.480 0.001 0.000 0.350 424 M C -2.425 173.829 176.300 -0.076 0.000 1.125 424 M CA -2.383 52.880 55.300 -0.062 0.000 1.031 424 M CB 1.122 33.687 32.600 -0.058 0.000 1.623 424 M HN 0.106 nan 8.290 nan 0.000 0.451 425 P HA -0.034 nan 4.420 nan 0.000 0.258 425 P C 0.450 177.675 177.300 -0.125 0.000 1.172 425 P CA -0.094 62.965 63.100 -0.068 0.000 0.762 425 P CB 0.323 32.006 31.700 -0.028 0.000 0.764 426 V N 3.254 123.029 119.914 -0.231 0.000 2.323 426 V HA -0.152 3.969 4.120 0.001 0.000 0.244 426 V C 0.476 176.304 176.094 -0.442 0.000 1.041 426 V CA 1.501 63.546 62.300 -0.425 0.000 1.025 426 V CB -0.815 30.560 31.823 -0.746 0.000 0.656 426 V HN 0.420 nan 8.190 nan 0.000 0.451 427 Y N -0.300 119.982 120.300 -0.029 0.000 2.341 427 Y HA 0.557 5.108 4.550 0.001 0.000 0.337 427 Y C -2.288 173.534 175.900 -0.130 0.000 1.014 427 Y CA -4.071 53.949 58.100 -0.134 0.000 1.111 427 Y CB -0.135 38.211 38.460 -0.189 0.000 1.194 427 Y HN 0.075 nan 8.280 nan 0.000 0.462 428 P HA 0.028 nan 4.420 nan 0.000 0.268 428 P C -0.011 177.267 177.300 -0.036 0.000 1.205 428 P CA -0.112 62.954 63.100 -0.056 0.000 0.771 428 P CB 0.499 32.152 31.700 -0.079 0.000 0.858 429 K N 0.867 121.291 120.400 0.040 0.000 2.884 429 K HA -0.202 4.119 4.320 0.001 0.000 0.247 429 K C -0.429 176.338 176.600 0.280 0.000 0.951 429 K CA 0.591 56.943 56.287 0.109 0.000 0.706 429 K CB -0.672 31.874 32.500 0.077 0.000 1.240 429 K HN 0.576 nan 8.250 nan 0.000 0.484 430 W N 0.255 121.549 121.300 -0.009 0.000 2.926 430 W HA 0.190 4.851 4.660 0.001 0.000 0.419 430 W C 0.121 176.619 176.519 -0.035 0.000 0.993 430 W CA -0.666 56.662 57.345 -0.027 0.000 2.025 430 W CB 0.081 29.514 29.460 -0.045 0.000 1.152 430 W HN -0.218 nan 8.180 nan 0.000 0.659 431 V N 1.748 121.761 119.914 0.165 0.000 3.098 431 V HA 0.356 4.476 4.120 0.001 0.000 0.298 431 V C 1.116 177.225 176.094 0.025 0.000 1.200 431 V CA 1.547 63.885 62.300 0.062 0.000 1.321 431 V CB -0.381 31.458 31.823 0.027 0.000 0.947 431 V HN 0.357 nan 8.190 nan 0.000 0.513 432 G N 1.856 110.641 108.800 -0.026 0.000 2.357 432 G HA2 0.542 4.502 3.960 0.001 0.000 0.289 432 G HA3 0.542 4.502 3.960 0.001 0.000 0.289 432 G C -0.969 173.901 174.900 -0.051 0.000 1.302 432 G CA -0.214 44.853 45.100 -0.054 0.000 0.936 432 G HN 1.455 nan 8.290 nan 0.000 0.513 433 A N -0.019 122.791 122.820 -0.017 0.000 2.288 433 A HA 0.716 5.037 4.320 0.001 0.000 0.320 433 A C -0.251 177.440 177.584 0.178 0.000 1.217 433 A CA -0.418 51.680 52.037 0.102 0.000 0.840 433 A CB 0.846 19.972 19.000 0.210 0.000 1.179 433 A HN 0.557 nan 8.150 nan 0.000 0.504 434 D N 0.321 120.832 120.400 0.186 0.000 2.383 434 D HA 0.157 4.798 4.640 0.001 0.000 0.248 434 D C -0.057 176.359 176.300 0.194 0.000 1.170 434 D CA 0.199 54.316 54.000 0.195 0.000 0.977 434 D CB 0.528 41.435 40.800 0.177 0.000 1.120 434 D HN 0.696 nan 8.370 nan 0.000 0.481 435 H N 0.268 119.375 119.070 0.063 0.000 3.157 435 H HA 0.170 4.727 4.556 0.001 0.000 0.299 435 H C 0.725 176.073 175.328 0.034 0.000 0.961 435 H CA 0.935 56.985 56.048 0.003 0.000 1.428 435 H CB -0.010 29.753 29.762 0.002 0.000 1.459 435 H HN 0.479 nan 8.280 nan 0.000 0.566 436 A N 4.116 126.731 122.820 -0.342 0.000 3.383 436 A HA -0.265 4.055 4.320 0.001 0.000 0.264 436 A C 1.862 179.441 177.584 -0.009 0.000 1.154 436 A CA 1.158 53.076 52.037 -0.198 0.000 1.179 436 A CB -2.103 16.786 19.000 -0.185 0.000 1.133 436 A HN 0.750 nan 8.150 nan 0.000 0.933 437 D N 0.970 121.420 120.400 0.083 0.000 2.218 437 D HA -0.087 4.554 4.640 0.001 0.000 0.204 437 D C 1.800 178.245 176.300 0.243 0.000 0.976 437 D CA 1.383 55.513 54.000 0.217 0.000 0.853 437 D CB -0.229 40.776 40.800 0.342 0.000 0.939 437 D HN 0.851 nan 8.370 nan 0.000 0.481 438 D N 0.447 120.841 120.400 -0.011 0.000 2.219 438 D HA -0.150 4.490 4.640 0.001 0.000 0.205 438 D C 2.175 178.397 176.300 -0.130 0.000 0.970 438 D CA 0.368 54.128 54.000 -0.400 0.000 0.851 438 D CB -0.427 40.006 40.800 -0.612 0.000 0.943 438 D HN 0.285 nan 8.370 nan 0.000 0.488 439 I N 1.748 122.321 120.570 0.005 0.000 2.151 439 I HA -0.350 3.820 4.170 0.001 0.000 0.243 439 I C 2.922 179.051 176.117 0.020 0.000 1.080 439 I CA 1.841 63.186 61.300 0.075 0.000 1.339 439 I CB -0.560 37.505 38.000 0.108 0.000 1.039 439 I HN 0.129 nan 8.210 nan 0.000 0.409 440 Q N 0.656 120.391 119.800 -0.108 0.000 2.170 440 Q HA -0.232 4.108 4.340 0.001 0.000 0.203 440 Q C 2.007 177.756 176.000 -0.419 0.000 0.976 440 Q CA 1.825 57.459 55.803 -0.282 0.000 0.858 440 Q CB -0.701 27.806 28.738 -0.386 0.000 0.907 440 Q HN 0.535 nan 8.270 nan 0.000 0.433 441 Y N 0.677 120.894 120.300 -0.139 0.000 2.395 441 Y HA -0.034 4.517 4.550 0.001 0.000 0.293 441 Y C 2.384 178.134 175.900 -0.249 0.000 1.123 441 Y CA 0.611 58.594 58.100 -0.195 0.000 1.227 441 Y CB 0.140 38.519 38.460 -0.137 0.000 1.012 441 Y HN -0.065 nan 8.280 nan 0.000 0.552 442 V N -1.189 118.623 119.914 -0.170 0.000 2.379 442 V HA -0.243 3.877 4.120 0.001 0.000 0.245 442 V C 1.359 177.270 176.094 -0.304 0.000 1.044 442 V CA 1.565 63.661 62.300 -0.340 0.000 1.036 442 V CB -0.562 31.064 31.823 -0.328 0.000 0.664 442 V HN 0.282 nan 8.190 nan 0.000 0.453 443 F N 0.591 120.399 119.950 -0.236 0.000 2.731 443 F HA 0.395 4.923 4.527 0.002 0.000 0.304 443 F C 1.800 177.490 175.800 -0.183 0.000 1.133 443 F CA 0.692 58.562 58.000 -0.218 0.000 1.380 443 F CB -0.130 38.718 39.000 -0.253 0.000 1.079 443 F HN 0.280 nan 8.300 nan 0.000 0.550 444 G N 0.219 108.987 108.800 -0.054 0.000 2.155 444 G HA2 -0.352 3.609 3.960 0.001 0.000 0.257 444 G HA3 -0.352 3.609 3.960 0.001 0.000 0.257 444 G C 1.539 176.366 174.900 -0.122 0.000 0.983 444 G CA 0.471 45.565 45.100 -0.010 0.000 0.676 444 G HN 0.190 nan 8.290 nan 0.000 0.528 445 K N 0.413 120.656 120.400 -0.262 0.000 2.077 445 K HA -0.175 4.146 4.320 0.001 0.000 0.213 445 K C 0.030 176.252 176.600 -0.629 0.000 1.051 445 K CA 2.188 58.241 56.287 -0.390 0.000 0.929 445 K CB -1.276 30.966 32.500 -0.429 0.000 0.715 445 K HN 0.423 nan 8.250 nan 0.000 0.451 446 P HA -0.110 nan 4.420 nan 0.000 0.221 446 P C 1.140 178.070 177.300 -0.617 0.000 1.145 446 P CA 1.117 63.514 63.100 -1.173 0.000 0.795 446 P CB -0.016 31.016 31.700 -1.113 0.000 0.775 447 F N -0.945 118.844 119.950 -0.268 0.000 2.446 447 F HA 0.197 4.725 4.527 0.001 0.000 0.292 447 F C 2.365 178.110 175.800 -0.092 0.000 1.096 447 F CA 0.639 58.556 58.000 -0.139 0.000 1.438 447 F CB -1.200 37.730 39.000 -0.117 0.000 1.107 447 F HN -0.157 nan 8.300 nan 0.000 0.546 448 A N -0.778 122.080 122.820 0.063 0.000 2.016 448 A HA -0.013 4.307 4.320 0.001 0.000 0.217 448 A C 1.251 178.868 177.584 0.056 0.000 1.162 448 A CA 1.702 53.775 52.037 0.060 0.000 0.662 448 A CB -0.957 18.069 19.000 0.042 0.000 0.812 448 A HN 0.257 nan 8.150 nan 0.000 0.450 449 T N -3.895 110.643 114.554 -0.027 0.000 3.658 449 T HA 0.353 4.704 4.350 0.001 0.000 0.245 449 T C -1.634 173.089 174.700 0.039 0.000 1.292 449 T CA -0.728 61.368 62.100 -0.007 0.000 1.598 449 T CB 1.113 69.793 68.868 -0.313 0.000 0.861 449 T HN 0.150 nan 8.240 nan 0.000 0.663 450 P HA -0.247 nan 4.420 nan 0.000 0.217 450 P C 1.663 179.005 177.300 0.070 0.000 1.148 450 P CA 1.791 64.917 63.100 0.043 0.000 0.834 450 P CB -0.249 31.481 31.700 0.049 0.000 0.783 451 T N -4.311 110.283 114.554 0.066 0.000 3.085 451 T HA 0.098 4.449 4.350 0.001 0.000 0.263 451 T C 1.847 176.556 174.700 0.016 0.000 1.127 451 T CA 0.963 63.091 62.100 0.047 0.000 1.103 451 T CB -1.077 67.823 68.868 0.053 0.000 0.921 451 T HN 0.154 nan 8.240 nan 0.000 0.510 452 G N -0.626 108.172 108.800 -0.003 0.000 3.434 452 G HA2 0.473 4.434 3.960 0.001 0.000 0.258 452 G HA3 0.473 4.434 3.960 0.001 0.000 0.258 452 G C -0.540 174.119 174.900 -0.403 0.000 1.128 452 G CA -0.420 44.576 45.100 -0.173 0.000 0.792 452 G HN 0.503 nan 8.290 nan 0.000 0.539 453 Y N -1.118 119.123 120.300 -0.099 0.000 2.715 453 Y HA 0.628 5.179 4.550 0.001 0.000 0.331 453 Y C 0.317 176.183 175.900 -0.056 0.000 1.197 453 Y CA -1.219 56.828 58.100 -0.089 0.000 1.079 453 Y CB 1.447 39.821 38.460 -0.142 0.000 1.298 453 Y HN -0.138 nan 8.280 nan 0.000 0.477 454 R N 0.595 121.199 120.500 0.174 0.000 2.720 454 R HA 0.358 4.698 4.340 0.001 0.000 0.272 454 R C -2.167 174.164 176.300 0.051 0.000 0.991 454 R CA -1.830 54.323 56.100 0.087 0.000 1.010 454 R CB 0.799 31.152 30.300 0.087 0.000 1.141 454 R HN 0.278 nan 8.270 nan 0.000 0.494 455 P HA -0.255 nan 4.420 nan 0.000 0.218 455 P C 0.871 178.150 177.300 -0.034 0.000 1.146 455 P CA 1.326 64.416 63.100 -0.016 0.000 0.813 455 P CB 0.198 31.898 31.700 0.000 0.000 0.778 456 Q N -0.848 118.950 119.800 -0.003 0.000 2.187 456 Q HA -0.126 4.214 4.340 0.001 0.000 0.199 456 Q C 1.225 177.180 176.000 -0.074 0.000 0.957 456 Q CA 1.163 56.948 55.803 -0.030 0.000 0.857 456 Q CB -0.821 27.927 28.738 0.016 0.000 0.929 456 Q HN 0.191 nan 8.270 nan 0.000 0.453 457 D N 1.385 121.813 120.400 0.047 0.000 2.144 457 D HA -0.117 4.524 4.640 0.001 0.000 0.199 457 D C 1.937 178.198 176.300 -0.065 0.000 0.984 457 D CA 0.956 55.060 54.000 0.173 0.000 0.834 457 D CB -0.133 40.913 40.800 0.411 0.000 0.955 457 D HN 0.322 nan 8.370 nan 0.000 0.465 458 R N 0.162 120.502 120.500 -0.266 0.000 2.148 458 R HA -0.043 4.297 4.340 0.001 0.000 0.227 458 R C 2.228 178.341 176.300 -0.312 0.000 1.103 458 R CA 1.055 56.780 56.100 -0.624 0.000 0.983 458 R CB -0.116 29.738 30.300 -0.744 0.000 0.874 458 R HN 0.119 nan 8.270 nan 0.000 0.451 459 T N 0.334 114.795 114.554 -0.155 0.000 2.737 459 T HA -0.083 4.267 4.350 0.001 0.000 0.265 459 T C 1.915 176.558 174.700 -0.095 0.000 1.038 459 T CA 1.207 63.260 62.100 -0.078 0.000 1.144 459 T CB -0.083 68.735 68.868 -0.084 0.000 0.866 459 T HN -0.008 nan 8.240 nan 0.000 0.434 460 V N 1.286 121.083 119.914 -0.195 0.000 2.343 460 V HA -0.155 3.966 4.120 0.001 0.000 0.247 460 V C 2.715 178.773 176.094 -0.059 0.000 1.051 460 V CA 1.912 64.073 62.300 -0.233 0.000 1.036 460 V CB -0.781 30.669 31.823 -0.622 0.000 0.654 460 V HN 0.488 nan 8.190 nan 0.000 0.451 461 S N -0.544 115.180 115.700 0.041 0.000 2.368 461 S HA -0.269 4.202 4.470 0.001 0.000 0.225 461 S C 2.156 176.812 174.600 0.094 0.000 1.030 461 S CA 2.097 60.344 58.200 0.078 0.000 0.999 461 S CB -0.286 62.907 63.200 -0.011 0.000 0.844 461 S HN 0.601 nan 8.310 nan 0.000 0.459 462 K N 0.612 121.130 120.400 0.197 0.000 2.032 462 K HA -0.116 4.204 4.320 0.001 0.000 0.209 462 K C 2.195 178.812 176.600 0.030 0.000 1.048 462 K CA 1.423 57.827 56.287 0.194 0.000 0.927 462 K CB -0.608 32.029 32.500 0.229 0.000 0.712 462 K HN 0.400 nan 8.250 nan 0.000 0.441 463 A N 1.331 124.156 122.820 0.007 0.000 1.902 463 A HA -0.180 4.140 4.320 0.001 0.000 0.217 463 A C 2.191 179.812 177.584 0.063 0.000 1.181 463 A CA 1.786 53.812 52.037 -0.019 0.000 0.623 463 A CB -0.439 18.590 19.000 0.049 0.000 0.818 463 A HN 0.334 nan 8.150 nan 0.000 0.443 464 M N -0.648 118.955 119.600 0.006 0.000 2.086 464 M HA -0.083 4.397 4.480 0.001 0.000 0.261 464 M C 2.256 178.474 176.300 -0.137 0.000 1.067 464 M CA 1.470 56.663 55.300 -0.179 0.000 1.116 464 M CB -0.929 31.381 32.600 -0.483 0.000 1.348 464 M HN 0.404 nan 8.290 nan 0.000 0.407 465 I N 0.435 120.931 120.570 -0.122 0.000 2.226 465 I HA -0.256 3.914 4.170 0.001 0.000 0.245 465 I C 2.767 178.903 176.117 0.031 0.000 1.100 465 I CA 1.152 62.409 61.300 -0.070 0.000 1.374 465 I CB -0.692 37.258 38.000 -0.084 0.000 1.057 465 I HN 0.235 nan 8.210 nan 0.000 0.413 466 A N 0.589 123.406 122.820 -0.005 0.000 1.865 466 A HA -0.252 4.068 4.320 0.001 0.000 0.217 466 A C 2.170 179.784 177.584 0.050 0.000 1.191 466 A CA 1.743 53.751 52.037 -0.048 0.000 0.623 466 A CB -1.059 17.831 19.000 -0.184 0.000 0.826 466 A HN 0.350 nan 8.150 nan 0.000 0.444 467 Y N -1.666 118.758 120.300 0.207 0.000 2.114 467 Y HA -0.226 4.324 4.550 0.001 0.000 0.284 467 Y C 2.526 178.645 175.900 0.365 0.000 1.143 467 Y CA 0.985 59.277 58.100 0.321 0.000 1.135 467 Y CB -0.743 38.031 38.460 0.523 0.000 0.980 467 Y HN 0.447 nan 8.280 nan 0.000 0.499 468 W N 0.492 121.878 121.300 0.144 0.000 2.317 468 W HA -0.290 4.370 4.660 0.001 0.000 0.318 468 W C 2.589 179.116 176.519 0.013 0.000 1.227 468 W CA 1.990 59.355 57.345 0.034 0.000 1.269 468 W CB -0.756 28.656 29.460 -0.080 0.000 1.155 468 W HN 0.224 nan 8.180 nan 0.000 0.484 469 T N -2.043 112.630 114.554 0.198 0.000 2.867 469 T HA -0.160 4.190 4.350 0.001 0.000 0.268 469 T C 1.411 176.135 174.700 0.040 0.000 1.057 469 T CA 1.410 63.543 62.100 0.055 0.000 1.136 469 T CB -0.593 68.279 68.868 0.007 0.000 0.874 469 T HN -0.075 nan 8.240 nan 0.000 0.466 470 N N 1.049 119.797 118.700 0.080 0.000 2.058 470 N HA -0.005 4.736 4.740 0.001 0.000 0.191 470 N C 1.347 176.876 175.510 0.030 0.000 1.037 470 N CA 1.199 54.279 53.050 0.050 0.000 0.848 470 N CB -0.840 37.694 38.487 0.078 0.000 1.021 470 N HN 0.459 nan 8.380 nan 0.000 0.422 471 F N 1.548 121.436 119.950 -0.103 0.000 2.120 471 F HA -0.180 4.347 4.527 0.001 0.000 0.300 471 F C 2.098 177.805 175.800 -0.154 0.000 1.095 471 F CA 1.561 59.437 58.000 -0.207 0.000 1.249 471 F CB -0.695 38.093 39.000 -0.353 0.000 0.995 471 F HN 0.066 nan 8.300 nan 0.000 0.480 472 A N 0.204 122.908 122.820 -0.195 0.000 1.865 472 A HA -0.293 4.028 4.320 0.001 0.000 0.217 472 A C 2.307 179.745 177.584 -0.243 0.000 1.191 472 A CA 2.211 54.090 52.037 -0.264 0.000 0.623 472 A CB -0.983 17.943 19.000 -0.124 0.000 0.826 472 A HN 0.511 nan 8.150 nan 0.000 0.444 473 K N -0.989 119.323 120.400 -0.147 0.000 2.025 473 K HA -0.131 4.189 4.320 0.001 0.000 0.207 473 K C 1.787 178.313 176.600 -0.123 0.000 1.049 473 K CA 2.116 58.339 56.287 -0.107 0.000 0.933 473 K CB -0.172 32.294 32.500 -0.057 0.000 0.714 473 K HN 0.614 nan 8.250 nan 0.000 0.438 474 T N -4.894 109.577 114.554 -0.138 0.000 3.003 474 T HA 0.284 4.635 4.350 0.001 0.000 0.261 474 T C 1.167 175.771 174.700 -0.160 0.000 1.003 474 T CA 0.304 62.337 62.100 -0.112 0.000 0.917 474 T CB 0.875 69.716 68.868 -0.046 0.000 1.084 474 T HN 0.367 nan 8.240 nan 0.000 0.522 475 G N 1.409 110.008 108.800 -0.336 0.000 2.159 475 G HA2 -0.199 3.761 3.960 0.001 0.000 0.256 475 G HA3 -0.199 3.761 3.960 0.001 0.000 0.256 475 G C -0.274 174.603 174.900 -0.038 0.000 0.977 475 G CA 0.176 45.016 45.100 -0.433 0.000 0.652 475 G HN 0.724 nan 8.290 nan 0.000 0.531 476 D N -0.067 120.321 120.400 -0.021 0.000 2.440 476 D HA 0.505 5.145 4.640 0.001 0.000 0.252 476 D C -1.012 175.265 176.300 -0.039 0.000 1.180 476 D CA -2.032 51.975 54.000 0.011 0.000 0.894 476 D CB 1.639 42.480 40.800 0.067 0.000 1.111 476 D HN 0.016 nan 8.370 nan 0.000 0.544 477 P HA -0.147 nan 4.420 nan 0.000 0.217 477 P C 0.959 178.364 177.300 0.175 0.000 1.148 477 P CA 1.017 64.094 63.100 -0.040 0.000 0.834 477 P CB 0.357 31.825 31.700 -0.388 0.000 0.783 478 N N -1.378 117.379 118.700 0.095 0.000 2.354 478 N HA -0.005 4.736 4.740 0.001 0.000 0.179 478 N C 0.790 176.354 175.510 0.090 0.000 1.021 478 N CA 0.853 53.977 53.050 0.124 0.000 0.887 478 N CB -0.138 38.394 38.487 0.074 0.000 0.974 478 N HN 0.292 nan 8.380 nan 0.000 0.437 479 M N -0.139 119.503 119.600 0.069 0.000 2.423 479 M HA 0.468 4.949 4.480 0.001 0.000 0.335 479 M C 0.589 176.904 176.300 0.025 0.000 1.177 479 M CA -0.314 55.016 55.300 0.050 0.000 1.038 479 M CB 2.395 35.026 32.600 0.051 0.000 1.641 479 M HN 0.117 nan 8.290 nan 0.000 0.455 480 G N 1.095 109.903 108.800 0.015 0.000 2.350 480 G HA2 -0.037 3.924 3.960 0.001 0.000 0.282 480 G HA3 -0.037 3.924 3.960 0.001 0.000 0.282 480 G C -1.123 173.775 174.900 -0.004 0.000 1.314 480 G CA -0.810 44.290 45.100 0.001 0.000 0.915 480 G HN 0.563 nan 8.290 nan 0.000 0.499 481 D N 0.036 120.430 120.400 -0.010 0.000 2.352 481 D HA 0.363 5.004 4.640 0.001 0.000 0.232 481 D C 0.687 176.973 176.300 -0.024 0.000 1.055 481 D CA 1.394 55.385 54.000 -0.014 0.000 0.891 481 D CB 0.492 41.283 40.800 -0.014 0.000 0.897 481 D HN 0.384 nan 8.370 nan 0.000 0.529 482 S N -0.717 114.966 115.700 -0.029 0.000 2.541 482 S HA 0.726 5.197 4.470 0.001 0.000 0.280 482 S C -0.529 174.035 174.600 -0.059 0.000 1.112 482 S CA -0.769 57.402 58.200 -0.049 0.000 0.925 482 S CB 1.363 64.528 63.200 -0.059 0.000 1.067 482 S HN 0.101 nan 8.310 nan 0.000 0.479 483 A N 2.213 124.993 122.820 -0.066 0.000 2.280 483 A HA 0.811 5.131 4.320 0.001 0.000 0.268 483 A C -0.108 177.394 177.584 -0.137 0.000 1.111 483 A CA -0.300 51.697 52.037 -0.067 0.000 0.814 483 A CB 0.210 19.185 19.000 -0.043 0.000 1.093 483 A HN 1.512 nan 8.150 nan 0.000 0.498 484 V N -2.684 117.156 119.914 -0.124 0.000 2.971 484 V HA 0.614 4.734 4.120 0.001 0.000 0.309 484 V C -1.777 174.275 176.094 -0.070 0.000 1.130 484 V CA -0.904 61.259 62.300 -0.229 0.000 0.964 484 V CB 1.220 32.839 31.823 -0.339 0.000 1.029 484 V HN 0.806 nan 8.190 nan 0.000 0.427 485 P HA 0.089 nan 4.420 nan 0.000 0.216 485 P C 0.481 177.850 177.300 0.115 0.000 1.153 485 P CA 0.985 64.113 63.100 0.045 0.000 0.844 485 P CB 0.323 32.054 31.700 0.052 0.000 0.787 486 T N -1.223 113.461 114.554 0.217 0.000 2.903 486 T HA 0.254 4.605 4.350 0.001 0.000 0.299 486 T C -1.157 173.739 174.700 0.327 0.000 1.093 486 T CA -0.427 61.812 62.100 0.232 0.000 1.002 486 T CB 1.691 70.663 68.868 0.172 0.000 1.127 486 T HN 0.038 nan 8.240 nan 0.000 0.488 487 H N 1.277 120.478 119.070 0.219 0.000 2.800 487 H HA 0.295 4.852 4.556 0.001 0.000 0.291 487 H C -0.865 174.662 175.328 0.332 0.000 1.076 487 H CA -0.300 55.908 56.048 0.267 0.000 1.452 487 H CB 0.314 30.189 29.762 0.188 0.000 1.461 487 H HN 0.443 nan 8.280 nan 0.000 0.488 488 W N 6.776 127.954 121.300 -0.204 0.000 2.388 488 W HA 0.189 4.849 4.660 0.001 0.000 0.308 488 W C -0.780 175.712 176.519 -0.044 0.000 1.263 488 W CA -0.589 56.701 57.345 -0.091 0.000 1.286 488 W CB 0.258 29.624 29.460 -0.157 0.000 1.294 488 W HN 0.608 nan 8.180 nan 0.000 0.493 489 E N 6.934 127.491 120.200 0.594 0.000 2.227 489 E HA 0.245 4.595 4.350 0.001 0.000 0.282 489 E C -2.156 174.642 176.600 0.330 0.000 1.015 489 E CA -1.992 54.670 56.400 0.437 0.000 0.823 489 E CB 1.075 30.976 29.700 0.336 0.000 1.081 489 E HN 0.112 nan 8.360 nan 0.000 0.396 490 P HA -0.072 nan 4.420 nan 0.000 0.263 490 P C -0.579 176.641 177.300 -0.134 0.000 1.195 490 P CA 0.299 63.147 63.100 -0.420 0.000 0.762 490 P CB -0.076 31.415 31.700 -0.348 0.000 0.799 491 Y N 4.525 124.679 120.300 -0.242 0.000 2.511 491 Y HA 0.275 4.825 4.550 0.001 0.000 0.332 491 Y C 0.612 176.485 175.900 -0.045 0.000 1.177 491 Y CA 0.877 58.951 58.100 -0.044 0.000 1.422 491 Y CB 0.354 38.825 38.460 0.019 0.000 1.271 491 Y HN 0.491 nan 8.280 nan 0.000 0.550 492 T N -0.089 114.148 114.554 -0.528 0.000 2.754 492 T HA 0.236 4.587 4.350 0.001 0.000 0.296 492 T C 0.793 175.192 174.700 -0.502 0.000 1.205 492 T CA -0.260 61.633 62.100 -0.345 0.000 1.009 492 T CB 0.921 69.694 68.868 -0.158 0.000 1.368 492 T HN 0.646 nan 8.240 nan 0.000 0.509 493 T N -0.678 113.739 114.554 -0.229 0.000 2.737 493 T HA -0.124 4.227 4.350 0.001 0.000 0.265 493 T C 1.639 176.245 174.700 -0.157 0.000 1.038 493 T CA 1.542 63.545 62.100 -0.162 0.000 1.144 493 T CB -0.782 68.051 68.868 -0.058 0.000 0.866 493 T HN 0.788 nan 8.240 nan 0.000 0.434 494 E N 2.486 122.613 120.200 -0.122 0.000 2.209 494 E HA -0.116 4.234 4.350 0.001 0.000 0.196 494 E C -0.094 176.443 176.600 -0.106 0.000 0.993 494 E CA 0.931 57.277 56.400 -0.090 0.000 0.819 494 E CB -0.712 28.950 29.700 -0.062 0.000 0.745 494 E HN 0.721 nan 8.360 nan 0.000 0.477 495 N N -0.223 118.377 118.700 -0.165 0.000 2.571 495 N HA 0.162 4.903 4.740 0.001 0.000 0.286 495 N C -1.623 173.725 175.510 -0.269 0.000 1.138 495 N CA -0.136 52.826 53.050 -0.147 0.000 0.859 495 N CB 2.157 40.598 38.487 -0.078 0.000 1.414 495 N HN -0.160 nan 8.380 nan 0.000 0.529 496 S N 0.816 116.386 115.700 -0.216 0.000 3.812 496 S HA 0.285 4.756 4.470 0.001 0.000 0.195 496 S C 0.805 175.518 174.600 0.189 0.000 1.460 496 S CA -0.804 57.286 58.200 -0.183 0.000 1.052 496 S CB -0.335 62.911 63.200 0.077 0.000 1.385 496 S HN 0.628 nan 8.310 nan 0.000 0.490 497 G N 1.375 110.261 108.800 0.144 0.000 2.537 497 G HA2 0.572 4.532 3.960 0.001 0.000 0.273 497 G HA3 0.572 4.532 3.960 0.001 0.000 0.273 497 G C -0.778 174.335 174.900 0.355 0.000 1.189 497 G CA -0.599 44.591 45.100 0.150 0.000 0.881 497 G HN 0.530 nan 8.290 nan 0.000 0.535 498 Y N -1.087 119.327 120.300 0.189 0.000 2.519 498 Y HA 0.608 5.159 4.550 0.001 0.000 0.336 498 Y C -1.361 174.520 175.900 -0.032 0.000 1.089 498 Y CA -1.900 56.300 58.100 0.166 0.000 1.025 498 Y CB 1.320 39.852 38.460 0.121 0.000 1.318 498 Y HN 0.546 nan 8.280 nan 0.000 0.452 499 L N 3.306 124.427 121.223 -0.170 0.000 2.290 499 L HA 0.446 4.787 4.340 0.001 0.000 0.284 499 L C -0.091 176.680 176.870 -0.165 0.000 1.078 499 L CA -0.129 54.424 54.840 -0.479 0.000 0.815 499 L CB 1.064 42.298 42.059 -1.374 0.000 1.162 499 L HN 0.871 nan 8.230 nan 0.000 0.435 500 E N 5.459 125.616 120.200 -0.072 0.000 2.146 500 E HA 0.268 4.619 4.350 0.001 0.000 0.282 500 E C -0.931 175.639 176.600 -0.049 0.000 0.989 500 E CA -0.787 55.637 56.400 0.040 0.000 0.799 500 E CB 0.748 30.499 29.700 0.085 0.000 1.088 500 E HN 0.520 nan 8.360 nan 0.000 0.397 501 I N 4.891 125.447 120.570 -0.024 0.000 2.371 501 I HA 0.190 4.361 4.170 0.001 0.000 0.290 501 I C 0.705 176.725 176.117 -0.162 0.000 1.028 501 I CA 0.142 61.410 61.300 -0.054 0.000 1.345 501 I CB 0.236 38.297 38.000 0.102 0.000 1.407 501 I HN 0.668 nan 8.210 nan 0.000 0.501 502 T N 2.587 117.054 114.554 -0.145 0.000 2.648 502 T HA 0.387 4.738 4.350 0.001 0.000 0.304 502 T C 0.661 175.252 174.700 -0.182 0.000 1.312 502 T CA -0.798 61.196 62.100 -0.177 0.000 1.023 502 T CB 1.793 70.601 68.868 -0.100 0.000 1.612 502 T HN 0.580 nan 8.240 nan 0.000 0.487 503 K N 0.418 120.715 120.400 -0.171 0.000 2.076 503 K HA 0.189 4.509 4.320 0.001 0.000 0.204 503 K C 0.434 176.989 176.600 -0.075 0.000 1.051 503 K CA 0.391 56.585 56.287 -0.155 0.000 0.949 503 K CB -0.264 32.160 32.500 -0.127 0.000 0.726 503 K HN 0.361 nan 8.250 nan 0.000 0.443 504 K N 1.711 122.082 120.400 -0.049 0.000 2.262 504 K HA 0.235 4.555 4.320 0.001 0.000 0.288 504 K C -0.661 175.926 176.600 -0.022 0.000 1.090 504 K CA 0.193 56.464 56.287 -0.026 0.000 0.918 504 K CB 0.629 33.118 32.500 -0.017 0.000 1.139 504 K HN 0.135 nan 8.250 nan 0.000 0.462 505 M N 2.135 121.729 119.600 -0.009 0.000 2.197 505 M HA 0.398 4.879 4.480 0.001 0.000 0.301 505 M C 0.067 176.382 176.300 0.025 0.000 0.987 505 M CA -0.580 54.725 55.300 0.008 0.000 0.921 505 M CB 2.129 34.745 32.600 0.026 0.000 1.569 505 M HN 0.800 nan 8.290 nan 0.000 0.431 506 G N 0.601 109.416 108.800 0.026 0.000 2.871 506 G HA2 0.371 4.332 3.960 0.001 0.000 0.282 506 G HA3 0.371 4.332 3.960 0.001 0.000 0.282 506 G C 0.440 175.365 174.900 0.040 0.000 1.212 506 G CA -0.038 45.084 45.100 0.036 0.000 0.812 506 G HN 0.608 nan 8.290 nan 0.000 0.547 507 S N 0.049 115.771 115.700 0.038 0.000 2.382 507 S HA -0.162 4.309 4.470 0.001 0.000 0.228 507 S C 2.362 176.973 174.600 0.017 0.000 1.027 507 S CA 2.164 60.388 58.200 0.039 0.000 0.991 507 S CB -0.616 62.605 63.200 0.033 0.000 0.823 507 S HN 1.271 nan 8.310 nan 0.000 0.469 508 S N 1.546 117.249 115.700 0.004 0.000 2.515 508 S HA 0.047 4.518 4.470 0.001 0.000 0.231 508 S C 1.745 176.325 174.600 -0.033 0.000 0.987 508 S CA 0.749 58.941 58.200 -0.014 0.000 0.936 508 S CB -0.702 62.492 63.200 -0.011 0.000 0.766 508 S HN 0.419 nan 8.310 nan 0.000 0.528 509 S N 1.620 117.303 115.700 -0.027 0.000 2.383 509 S HA 0.127 4.598 4.470 0.001 0.000 0.229 509 S C 0.902 175.438 174.600 -0.107 0.000 1.030 509 S CA 0.778 58.946 58.200 -0.053 0.000 1.002 509 S CB -0.413 62.764 63.200 -0.038 0.000 0.829 509 S HN 0.444 nan 8.310 nan 0.000 0.467 510 M N 2.556 122.103 119.600 -0.088 0.000 2.246 510 M HA 0.203 4.684 4.480 0.001 0.000 0.350 510 M C -0.117 176.059 176.300 -0.207 0.000 1.406 510 M CA 0.551 55.774 55.300 -0.128 0.000 1.089 510 M CB 0.154 32.744 32.600 -0.016 0.000 1.782 510 M HN -0.015 nan 8.290 nan 0.000 0.457 511 K N 4.190 124.332 120.400 -0.430 0.000 2.318 511 K HA 0.594 4.915 4.320 0.001 0.000 0.249 511 K C -0.329 175.953 176.600 -0.529 0.000 0.942 511 K CA -0.695 55.265 56.287 -0.545 0.000 0.808 511 K CB 2.578 34.543 32.500 -0.891 0.000 1.189 511 K HN 0.627 nan 8.250 nan 0.000 0.428 512 R N -0.118 120.228 120.500 -0.257 0.000 2.856 512 R HA 0.407 4.747 4.340 0.001 0.000 0.258 512 R C -0.414 175.883 176.300 -0.005 0.000 1.066 512 R CA -0.705 55.332 56.100 -0.105 0.000 1.045 512 R CB 1.374 31.642 30.300 -0.054 0.000 1.178 512 R HN 0.776 nan 8.270 nan 0.000 0.499 513 S N 0.247 115.983 115.700 0.060 0.000 3.895 513 S HA -0.090 4.381 4.470 0.001 0.000 0.301 513 S C -0.387 174.312 174.600 0.165 0.000 1.137 513 S CA -0.122 58.130 58.200 0.087 0.000 0.830 513 S CB -1.214 62.021 63.200 0.058 0.000 0.892 513 S HN 0.450 nan 8.310 nan 0.000 0.562 514 L N 1.575 122.940 121.223 0.237 0.000 2.397 514 L HA 0.310 4.650 4.340 0.001 0.000 0.271 514 L C 1.183 178.122 176.870 0.115 0.000 1.148 514 L CA -0.188 54.803 54.840 0.251 0.000 0.825 514 L CB 0.435 42.726 42.059 0.386 0.000 1.117 514 L HN 0.284 nan 8.230 nan 0.000 0.456 515 R N 0.950 121.464 120.500 0.023 0.000 2.489 515 R HA 0.048 4.388 4.340 0.001 0.000 0.287 515 R C 0.660 176.782 176.300 -0.297 0.000 1.053 515 R CA 0.508 56.470 56.100 -0.229 0.000 1.036 515 R CB 0.407 30.470 30.300 -0.394 0.000 0.966 515 R HN 0.733 nan 8.270 nan 0.000 0.432 516 T N -1.955 112.366 114.554 -0.388 0.000 3.016 516 T HA 0.067 4.418 4.350 0.001 0.000 0.271 516 T C 0.223 174.771 174.700 -0.253 0.000 0.968 516 T CA -0.434 61.588 62.100 -0.131 0.000 0.891 516 T CB 0.140 69.028 68.868 0.034 0.000 1.149 516 T HN 0.475 nan 8.240 nan 0.000 0.524 517 N N 0.419 118.762 118.700 -0.594 0.000 2.354 517 N HA 0.543 5.284 4.740 0.001 0.000 0.287 517 N C -1.909 173.224 175.510 -0.628 0.000 1.016 517 N CA -0.877 51.976 53.050 -0.327 0.000 0.871 517 N CB 1.034 39.426 38.487 -0.159 0.000 1.299 517 N HN 0.107 nan 8.380 nan 0.000 0.482 518 F N 3.392 123.401 119.950 0.097 0.000 2.366 518 F HA 0.457 4.984 4.527 0.001 0.000 0.366 518 F C -1.935 173.921 175.800 0.093 0.000 1.096 518 F CA -1.893 56.162 58.000 0.091 0.000 1.060 518 F CB 1.298 40.358 39.000 0.100 0.000 1.282 518 F HN 0.313 nan 8.300 nan 0.000 0.450 519 P HA 0.442 nan 4.420 nan 0.000 0.279 519 P C 0.798 178.233 177.300 0.225 0.000 1.239 519 P CA 0.346 63.527 63.100 0.136 0.000 0.789 519 P CB 1.430 33.160 31.700 0.051 0.000 0.933 520 G N 1.989 110.920 108.800 0.219 0.000 5.259 520 G HA2 -0.271 3.690 3.960 0.001 0.000 0.288 520 G HA3 -0.271 3.690 3.960 0.001 0.000 0.288 520 G C 0.681 175.703 174.900 0.203 0.000 1.534 520 G CA 0.289 45.548 45.100 0.265 0.000 1.031 520 G HN 0.456 nan 8.290 nan 0.000 0.724 521 I N 0.058 120.757 120.570 0.216 0.000 6.756 521 I HA 0.529 4.700 4.170 0.001 0.000 0.197 521 I C 1.284 177.498 176.117 0.162 0.000 0.859 521 I CA 0.931 62.310 61.300 0.131 0.000 1.663 521 I CB -0.830 37.192 38.000 0.035 0.000 1.322 521 I HN 0.889 nan 8.210 nan 0.000 0.471 522 H N 0.000 119.030 119.070 -0.066 0.000 2.539 522 H HA 0.000 4.557 4.556 0.001 0.000 0.296 522 H CA 0.000 55.947 56.048 -0.168 0.000 1.023 522 H CB 0.000 29.732 29.762 -0.051 0.000 1.292 522 H HN 0.000 nan 8.280 nan 0.000 0.496