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 3bg6_1_E DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFMK DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT 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 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.248 176.300 -0.086 0.000 1.140 43 M CA 0.000 55.288 55.300 -0.021 0.000 0.988 43 M CB 0.000 32.405 32.600 -0.325 0.000 1.302 44 D N 3.595 123.973 120.400 -0.037 0.000 2.372 44 D HA 0.280 4.920 4.640 -0.000 0.000 0.243 44 D C 0.983 177.196 176.300 -0.144 0.000 1.297 44 D CA 0.048 53.943 54.000 -0.174 0.000 0.958 44 D CB 0.613 41.154 40.800 -0.432 0.000 1.114 44 D HN 0.617 nan 8.370 nan 0.000 0.496 45 I N -3.286 117.185 120.570 -0.165 0.000 4.154 45 I HA 0.293 4.463 4.170 -0.000 0.000 0.334 45 I C 0.133 176.207 176.117 -0.072 0.000 1.371 45 I CA -0.459 60.806 61.300 -0.057 0.000 1.110 45 I CB -0.434 37.549 38.000 -0.028 0.000 1.085 45 I HN -0.031 nan 8.210 nan 0.000 0.398 46 K N 1.048 121.261 120.400 -0.312 0.000 2.413 46 K HA 0.635 4.955 4.320 -0.000 0.000 0.257 46 K C -1.851 174.389 176.600 -0.601 0.000 0.946 46 K CA -0.509 55.611 56.287 -0.278 0.000 0.823 46 K CB 0.962 33.362 32.500 -0.166 0.000 1.109 46 K HN 0.113 nan 8.250 nan 0.000 0.427 47 Y N 1.132 121.408 120.300 -0.040 0.000 2.605 47 Y HA 0.265 4.815 4.550 -0.000 0.000 0.343 47 Y C 0.717 176.579 175.900 -0.064 0.000 1.036 47 Y CA -0.830 57.238 58.100 -0.054 0.000 1.065 47 Y CB 1.864 40.288 38.460 -0.059 0.000 1.288 47 Y HN 0.582 nan 8.280 nan 0.000 0.481 48 D N 0.189 120.661 120.400 0.120 0.000 2.103 48 D HA 0.013 4.653 4.640 -0.000 0.000 0.199 48 D C -0.239 176.046 176.300 -0.025 0.000 0.978 48 D CA 1.505 55.558 54.000 0.088 0.000 0.829 48 D CB 0.233 41.157 40.800 0.205 0.000 0.981 48 D HN 0.120 nan 8.370 nan 0.000 0.464 49 V N 1.128 121.021 119.914 -0.035 0.000 2.638 49 V HA 0.399 4.519 4.120 -0.000 0.000 0.306 49 V C -0.242 175.747 176.094 -0.174 0.000 1.052 49 V CA -1.044 61.148 62.300 -0.180 0.000 0.885 49 V CB 2.410 34.107 31.823 -0.211 0.000 0.999 49 V HN -0.012 nan 8.190 nan 0.000 0.424 50 V N 2.755 122.520 119.914 -0.249 0.000 2.495 50 V HA 0.743 4.863 4.120 -0.000 0.000 0.298 50 V C -0.643 175.377 176.094 -0.123 0.000 1.031 50 V CA -0.613 61.593 62.300 -0.158 0.000 0.871 50 V CB 1.674 33.460 31.823 -0.061 0.000 0.988 50 V HN 0.692 nan 8.190 nan 0.000 0.432 51 I N 4.280 124.802 120.570 -0.081 0.000 2.406 51 I HA 0.486 4.656 4.170 -0.000 0.000 0.290 51 I C -0.558 175.570 176.117 0.019 0.000 0.999 51 I CA -0.947 60.299 61.300 -0.091 0.000 1.124 51 I CB 2.233 40.165 38.000 -0.113 0.000 1.289 51 I HN 0.437 nan 8.210 nan 0.000 0.441 52 V N 5.548 125.464 119.914 0.003 0.000 2.348 52 V HA 0.777 4.897 4.120 -0.000 0.000 0.270 52 V C 0.511 176.609 176.094 0.008 0.000 1.037 52 V CA -0.266 62.060 62.300 0.043 0.000 0.872 52 V CB 0.478 32.304 31.823 0.005 0.000 1.002 52 V HN 1.072 nan 8.190 nan 0.000 0.464 53 G N 4.053 112.872 108.800 0.033 0.000 2.911 53 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.686 53 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.686 53 G C -0.009 174.905 174.900 0.024 0.000 1.136 53 G CA -0.228 44.885 45.100 0.022 0.000 0.764 53 G HN 1.347 nan 8.290 nan 0.000 0.626 54 S N 0.947 116.665 115.700 0.030 0.000 2.601 54 S HA 0.601 5.071 4.470 -0.000 0.000 0.244 54 S C 1.335 175.949 174.600 0.023 0.000 1.001 54 S CA 0.783 59.008 58.200 0.043 0.000 0.984 54 S CB 0.570 63.809 63.200 0.064 0.000 0.842 54 S HN 1.976 nan 8.310 nan 0.000 0.474 55 G N 2.717 111.519 108.800 0.003 0.000 2.583 55 G HA2 0.374 4.334 3.960 -0.000 0.000 0.275 55 G HA3 0.374 4.334 3.960 -0.000 0.000 0.275 55 G C -1.183 173.695 174.900 -0.036 0.000 1.342 55 G CA -1.132 43.951 45.100 -0.028 0.000 1.030 55 G HN 0.251 nan 8.290 nan 0.000 0.520 56 P HA -0.052 nan 4.420 nan 0.000 0.220 56 P C 1.746 178.986 177.300 -0.100 0.000 1.148 56 P CA 0.715 63.764 63.100 -0.087 0.000 0.803 56 P CB 0.180 31.842 31.700 -0.064 0.000 0.782 57 I N 0.162 120.707 120.570 -0.043 0.000 2.277 57 I HA -0.033 4.137 4.170 -0.000 0.000 0.243 57 I C 2.701 178.869 176.117 0.086 0.000 1.094 57 I CA 1.521 62.827 61.300 0.009 0.000 1.393 57 I CB -2.303 35.730 38.000 0.054 0.000 1.078 57 I HN -0.004 nan 8.210 nan 0.000 0.417 58 G N 0.378 109.210 108.800 0.052 0.000 2.469 58 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.219 58 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.219 58 G C 1.756 176.653 174.900 -0.004 0.000 1.150 58 G CA 1.131 46.253 45.100 0.036 0.000 0.763 58 G HN 0.419 nan 8.290 nan 0.000 0.561 59 C N 0.489 119.762 119.300 -0.046 0.000 2.448 59 C HA 0.062 4.522 4.460 -0.000 0.000 0.280 59 C C 3.167 178.030 174.990 -0.211 0.000 1.398 59 C CA 1.275 60.221 59.018 -0.120 0.000 1.774 59 C CB -0.930 26.791 27.740 -0.031 0.000 1.888 59 C HN 0.451 nan 8.230 nan 0.000 0.519 60 T N 0.054 114.514 114.554 -0.157 0.000 2.737 60 T HA -0.155 4.195 4.350 -0.000 0.000 0.265 60 T C 1.462 176.023 174.700 -0.233 0.000 1.038 60 T CA 1.616 63.599 62.100 -0.194 0.000 1.144 60 T CB -0.389 68.377 68.868 -0.170 0.000 0.866 60 T HN 0.563 nan 8.240 nan 0.000 0.434 61 Y N 1.470 121.636 120.300 -0.224 0.000 2.181 61 Y HA -0.033 4.517 4.550 -0.000 0.000 0.288 61 Y C 2.751 178.444 175.900 -0.345 0.000 1.146 61 Y CA 0.887 58.835 58.100 -0.252 0.000 1.164 61 Y CB -0.678 37.648 38.460 -0.223 0.000 0.982 61 Y HN 0.190 nan 8.280 nan 0.000 0.515 62 A N 0.278 122.916 122.820 -0.304 0.000 1.883 62 A HA -0.258 4.061 4.320 -0.000 0.000 0.217 62 A C 2.284 179.316 177.584 -0.921 0.000 1.186 62 A CA 1.981 53.589 52.037 -0.715 0.000 0.624 62 A CB -0.808 17.500 19.000 -1.154 0.000 0.822 62 A HN 0.441 nan 8.150 nan 0.000 0.444 63 R N -0.424 119.606 120.500 -0.782 0.000 2.080 63 R HA -0.174 4.166 4.340 -0.000 0.000 0.236 63 R C 2.075 178.194 176.300 -0.301 0.000 1.137 63 R CA 1.827 57.639 56.100 -0.479 0.000 0.943 63 R CB -0.292 29.739 30.300 -0.448 0.000 0.846 63 R HN 0.585 nan 8.270 nan 0.000 0.431 64 E N 0.352 120.398 120.200 -0.257 0.000 2.077 64 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 64 E C 2.109 178.650 176.600 -0.098 0.000 0.989 64 E CA 1.290 57.607 56.400 -0.138 0.000 0.800 64 E CB -0.035 29.576 29.700 -0.148 0.000 0.746 64 E HN 0.441 nan 8.360 nan 0.000 0.452 65 L N 0.154 121.289 121.223 -0.146 0.000 2.249 65 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 65 L C 2.474 179.392 176.870 0.080 0.000 1.090 65 L CA 0.159 54.955 54.840 -0.073 0.000 0.802 65 L CB -0.152 41.748 42.059 -0.265 0.000 0.947 65 L HN -0.068 nan 8.230 nan 0.000 0.453 66 V N 0.582 120.461 119.914 -0.058 0.000 2.343 66 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 66 V C 2.641 178.771 176.094 0.061 0.000 1.051 66 V CA 2.074 64.383 62.300 0.015 0.000 1.036 66 V CB -1.220 30.562 31.823 -0.068 0.000 0.654 66 V HN 0.550 nan 8.190 nan 0.000 0.451 67 G N -0.412 108.403 108.800 0.024 0.000 2.432 67 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.219 67 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.219 67 G C 1.470 176.407 174.900 0.061 0.000 1.135 67 G CA 0.851 45.976 45.100 0.041 0.000 0.767 67 G HN 0.636 nan 8.290 nan 0.000 0.550 68 A N -0.447 122.436 122.820 0.104 0.000 2.251 68 A HA 0.487 4.807 4.320 -0.000 0.000 0.209 68 A C 1.911 179.518 177.584 0.040 0.000 1.187 68 A CA 1.195 53.306 52.037 0.125 0.000 0.823 68 A CB -0.400 18.758 19.000 0.263 0.000 0.846 68 A HN 1.556 nan 8.150 nan 0.000 0.486 69 G N -2.182 106.646 108.800 0.047 0.000 2.141 69 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.231 69 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.231 69 G C -0.071 174.746 174.900 -0.138 0.000 0.984 69 G CA 0.133 45.207 45.100 -0.043 0.000 0.660 69 G HN 0.406 nan 8.290 nan 0.000 0.525 70 Y N 0.403 120.695 120.300 -0.013 0.000 2.336 70 Y HA 0.428 4.978 4.550 -0.000 0.000 0.331 70 Y C 1.114 176.995 175.900 -0.031 0.000 1.211 70 Y CA -0.026 58.061 58.100 -0.023 0.000 1.346 70 Y CB 0.761 39.202 38.460 -0.032 0.000 1.271 70 Y HN 0.087 nan 8.280 nan 0.000 0.538 71 K N 2.944 123.404 120.400 0.100 0.000 2.292 71 K HA 0.375 4.695 4.320 -0.000 0.000 0.290 71 K C -1.535 175.154 176.600 0.148 0.000 1.083 71 K CA -0.134 56.191 56.287 0.064 0.000 0.918 71 K CB -0.007 32.490 32.500 -0.005 0.000 1.089 71 K HN 0.496 nan 8.250 nan 0.000 0.473 72 V N 3.402 123.386 119.914 0.117 0.000 2.459 72 V HA 0.556 4.676 4.120 -0.000 0.000 0.295 72 V C -0.200 175.768 176.094 -0.211 0.000 1.029 72 V CA -0.900 61.414 62.300 0.024 0.000 0.874 72 V CB 1.344 33.237 31.823 0.117 0.000 0.985 72 V HN 0.876 nan 8.190 nan 0.000 0.438 73 A N 5.863 128.403 122.820 -0.467 0.000 2.350 73 A HA 0.942 5.262 4.320 -0.000 0.000 0.324 73 A C -0.656 176.533 177.584 -0.659 0.000 1.118 73 A CA -0.632 50.891 52.037 -0.856 0.000 0.783 73 A CB 1.586 19.673 19.000 -1.521 0.000 1.236 73 A HN 0.901 nan 8.150 nan 0.000 0.457 74 M N 2.262 121.382 119.600 -0.801 0.000 2.393 74 M HA 0.740 5.220 4.480 -0.000 0.000 0.299 74 M C -2.176 173.753 176.300 -0.619 0.000 1.103 74 M CA -0.422 54.601 55.300 -0.463 0.000 0.910 74 M CB 1.273 33.775 32.600 -0.163 0.000 1.659 74 M HN 0.609 nan 8.290 nan 0.000 0.445 75 F N 2.106 122.035 119.950 -0.034 0.000 2.508 75 F HA 0.584 5.111 4.527 -0.000 0.000 0.325 75 F C -0.190 175.603 175.800 -0.011 0.000 1.090 75 F CA -0.543 57.461 58.000 0.007 0.000 0.945 75 F CB 1.556 40.539 39.000 -0.028 0.000 1.156 75 F HN 0.449 nan 8.300 nan 0.000 0.463 76 D N 2.498 122.989 120.400 0.152 0.000 2.879 76 D HA 0.241 4.881 4.640 -0.000 0.000 0.236 76 D C 0.357 176.685 176.300 0.048 0.000 1.171 76 D CA -0.337 53.706 54.000 0.071 0.000 0.868 76 D CB 2.589 43.414 40.800 0.042 0.000 1.598 76 D HN 0.658 nan 8.370 nan 0.000 0.497 77 I N 1.810 122.364 120.570 -0.027 0.000 2.676 77 I HA 0.072 4.242 4.170 -0.000 0.000 0.259 77 I C 1.098 177.185 176.117 -0.050 0.000 1.194 77 I CA 0.632 61.878 61.300 -0.091 0.000 1.473 77 I CB 0.169 38.001 38.000 -0.279 0.000 1.096 77 I HN 0.323 nan 8.210 nan 0.000 0.443 78 G N 0.088 108.874 108.800 -0.022 0.000 2.537 78 G HA2 0.389 4.349 3.960 -0.000 0.000 0.297 78 G HA3 0.389 4.349 3.960 -0.000 0.000 0.297 78 G C -0.862 174.060 174.900 0.037 0.000 1.310 78 G CA -0.426 44.685 45.100 0.017 0.000 1.027 78 G HN 0.299 nan 8.290 nan 0.000 0.505 79 E N -1.297 118.930 120.200 0.045 0.000 2.281 79 E HA 0.363 4.713 4.350 -0.000 0.000 0.262 79 E C -0.492 176.135 176.600 0.044 0.000 0.933 79 E CA -0.757 55.670 56.400 0.045 0.000 0.809 79 E CB 2.564 32.293 29.700 0.048 0.000 1.242 79 E HN 0.265 nan 8.360 nan 0.000 0.418 80 I N 2.609 123.203 120.570 0.040 0.000 2.517 80 I HA -0.015 4.154 4.170 -0.000 0.000 0.285 80 I C -0.079 176.068 176.117 0.049 0.000 1.106 80 I CA 0.724 62.049 61.300 0.042 0.000 1.402 80 I CB 0.114 38.133 38.000 0.032 0.000 1.399 80 I HN 0.554 nan 8.210 nan 0.000 0.535 81 D N 2.711 123.147 120.400 0.060 0.000 3.120 81 D HA 0.013 4.653 4.640 -0.000 0.000 0.331 81 D C -0.180 176.175 176.300 0.091 0.000 1.595 81 D CA -0.316 53.726 54.000 0.070 0.000 0.771 81 D CB -0.213 40.626 40.800 0.066 0.000 1.274 81 D HN 0.226 nan 8.370 nan 0.000 0.503 82 S N 0.064 115.821 115.700 0.094 0.000 2.651 82 S HA 0.634 5.104 4.470 -0.000 0.000 0.246 82 S C 0.954 175.625 174.600 0.119 0.000 1.039 82 S CA -0.013 58.261 58.200 0.123 0.000 1.013 82 S CB 0.727 64.003 63.200 0.127 0.000 0.861 82 S HN 0.876 nan 8.310 nan 0.000 0.485 83 G N 1.611 110.469 108.800 0.098 0.000 2.584 83 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.229 83 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.229 83 G C 0.332 175.269 174.900 0.062 0.000 1.320 83 G CA -0.228 44.922 45.100 0.083 0.000 0.891 83 G HN 0.323 nan 8.290 nan 0.000 0.573 84 L N 0.254 121.508 121.223 0.052 0.000 2.395 84 L HA 0.117 4.457 4.340 -0.000 0.000 0.218 84 L C 1.445 178.331 176.870 0.027 0.000 1.130 84 L CA 0.942 55.801 54.840 0.032 0.000 0.826 84 L CB -0.334 41.739 42.059 0.023 0.000 0.941 84 L HN 0.305 nan 8.230 nan 0.000 0.451 85 K N 1.641 122.068 120.400 0.044 0.000 2.263 85 K HA 0.359 4.679 4.320 -0.000 0.000 0.282 85 K C -0.318 176.309 176.600 0.045 0.000 1.089 85 K CA -0.277 56.033 56.287 0.037 0.000 0.907 85 K CB 1.189 33.725 32.500 0.060 0.000 1.148 85 K HN 0.065 nan 8.250 nan 0.000 0.470 86 I N 1.859 122.441 120.570 0.019 0.000 2.556 86 I HA -0.035 4.134 4.170 -0.000 0.000 0.284 86 I C 1.333 177.476 176.117 0.042 0.000 1.114 86 I CA 0.720 62.037 61.300 0.028 0.000 1.418 86 I CB 0.555 38.562 38.000 0.011 0.000 1.394 86 I HN 0.967 nan 8.210 nan 0.000 0.552 87 G N 4.266 113.102 108.800 0.060 0.000 2.143 87 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.248 87 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.248 87 G C 0.289 175.246 174.900 0.095 0.000 0.991 87 G CA 0.103 45.243 45.100 0.066 0.000 0.689 87 G HN 0.953 nan 8.290 nan 0.000 0.522 88 A N -0.486 122.407 122.820 0.120 0.000 2.246 88 A HA 0.665 4.985 4.320 -0.000 0.000 0.291 88 A C 0.505 178.225 177.584 0.228 0.000 1.103 88 A CA -0.339 51.806 52.037 0.181 0.000 0.844 88 A CB 0.362 19.467 19.000 0.174 0.000 1.136 88 A HN 0.593 nan 8.150 nan 0.000 0.500 89 H N 0.251 119.458 119.070 0.229 0.000 2.803 89 H HA 0.139 4.695 4.556 -0.000 0.000 0.330 89 H C 0.569 176.035 175.328 0.229 0.000 1.057 89 H CA 0.638 56.838 56.048 0.254 0.000 1.458 89 H CB 0.910 30.840 29.762 0.281 0.000 1.470 89 H HN 0.652 nan 8.280 nan 0.000 0.560 90 K N 3.228 123.829 120.400 0.335 0.000 2.432 90 K HA -0.076 4.244 4.320 -0.000 0.000 0.196 90 K C 1.563 178.426 176.600 0.438 0.000 1.038 90 K CA 0.704 57.246 56.287 0.425 0.000 0.986 90 K CB 0.333 33.099 32.500 0.445 0.000 0.782 90 K HN 0.530 nan 8.250 nan 0.000 0.485 91 K N -0.114 120.438 120.400 0.254 0.000 2.404 91 K HA 0.069 4.389 4.320 -0.000 0.000 0.194 91 K C 0.325 176.961 176.600 0.059 0.000 1.023 91 K CA 0.317 56.451 56.287 -0.255 0.000 1.094 91 K CB 0.286 32.032 32.500 -1.257 0.000 0.841 91 K HN -0.130 nan 8.250 nan 0.000 0.523 92 N N 2.522 121.356 118.700 0.223 0.000 2.597 92 N HA 0.004 4.744 4.740 -0.000 0.000 0.269 92 N C -0.746 175.011 175.510 0.411 0.000 1.204 92 N CA 0.310 53.512 53.050 0.253 0.000 0.947 92 N CB 0.837 39.512 38.487 0.313 0.000 1.258 92 N HN 0.432 nan 8.380 nan 0.000 0.508 93 T N -4.239 110.539 114.554 0.373 0.000 2.918 93 T HA 0.334 4.684 4.350 -0.000 0.000 0.286 93 T C 1.542 176.448 174.700 0.343 0.000 1.026 93 T CA -0.768 61.530 62.100 0.330 0.000 1.031 93 T CB 1.673 70.681 68.868 0.233 0.000 1.046 93 T HN -0.182 nan 8.240 nan 0.000 0.479 94 V N 1.466 121.550 119.914 0.282 0.000 2.392 94 V HA -0.141 3.979 4.120 -0.000 0.000 0.249 94 V C 2.864 179.033 176.094 0.126 0.000 1.059 94 V CA 1.809 64.252 62.300 0.239 0.000 1.051 94 V CB -0.817 31.075 31.823 0.116 0.000 0.658 94 V HN 0.889 nan 8.190 nan 0.000 0.455 95 E N -0.515 119.695 120.200 0.017 0.000 2.077 95 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 95 E C 2.160 178.692 176.600 -0.113 0.000 0.989 95 E CA 1.558 57.895 56.400 -0.105 0.000 0.800 95 E CB -0.263 29.277 29.700 -0.266 0.000 0.746 95 E HN 0.740 nan 8.360 nan 0.000 0.452 96 Y N 1.079 121.456 120.300 0.128 0.000 2.373 96 Y HA -0.058 4.492 4.550 -0.000 0.000 0.293 96 Y C 2.399 178.329 175.900 0.051 0.000 1.129 96 Y CA 0.700 58.861 58.100 0.102 0.000 1.226 96 Y CB -0.122 38.397 38.460 0.098 0.000 1.000 96 Y HN 0.030 nan 8.280 nan 0.000 0.549 97 Q N 0.148 120.050 119.800 0.171 0.000 2.311 97 Q HA -0.091 4.249 4.340 -0.000 0.000 0.203 97 Q C 1.656 177.724 176.000 0.114 0.000 0.954 97 Q CA 0.915 56.774 55.803 0.094 0.000 0.885 97 Q CB -0.017 28.755 28.738 0.055 0.000 0.963 97 Q HN 0.505 nan 8.270 nan 0.000 0.471 98 K N 0.354 120.824 120.400 0.116 0.000 2.262 98 K HA 0.063 4.383 4.320 -0.000 0.000 0.200 98 K C 0.383 177.036 176.600 0.087 0.000 1.049 98 K CA 0.383 56.722 56.287 0.087 0.000 0.979 98 K CB 0.480 33.018 32.500 0.063 0.000 0.773 98 K HN 0.083 nan 8.250 nan 0.000 0.474 99 N N 1.210 119.982 118.700 0.120 0.000 2.723 99 N HA 0.081 4.821 4.740 -0.000 0.000 0.290 99 N C 0.306 175.953 175.510 0.230 0.000 1.882 99 N CA 0.042 53.179 53.050 0.145 0.000 0.851 99 N CB 0.998 39.556 38.487 0.120 0.000 1.234 99 N HN 0.085 nan 8.380 nan 0.000 0.491 100 I N 0.132 120.817 120.570 0.192 0.000 2.361 100 I HA -0.227 3.943 4.170 -0.000 0.000 0.251 100 I C 1.060 177.309 176.117 0.218 0.000 1.133 100 I CA 1.549 62.966 61.300 0.196 0.000 1.413 100 I CB 0.379 38.446 38.000 0.112 0.000 1.073 100 I HN 0.030 nan 8.210 nan 0.000 0.424 101 D N 1.175 121.697 120.400 0.204 0.000 2.218 101 D HA -0.159 4.481 4.640 -0.000 0.000 0.204 101 D C 1.972 178.373 176.300 0.167 0.000 0.976 101 D CA 0.734 54.850 54.000 0.194 0.000 0.853 101 D CB -0.129 40.811 40.800 0.233 0.000 0.939 101 D HN 0.328 nan 8.370 nan 0.000 0.481 102 K N 0.071 120.608 120.400 0.227 0.000 2.280 102 K HA -0.117 4.203 4.320 -0.000 0.000 0.202 102 K C 1.803 178.515 176.600 0.186 0.000 1.047 102 K CA 0.103 56.532 56.287 0.237 0.000 0.942 102 K CB -0.437 32.268 32.500 0.343 0.000 0.739 102 K HN 0.233 nan 8.250 nan 0.000 0.457 103 F N 1.523 121.455 119.950 -0.031 0.000 2.365 103 F HA -0.166 4.361 4.527 -0.000 0.000 0.300 103 F C 1.863 177.542 175.800 -0.201 0.000 1.090 103 F CA 0.529 58.341 58.000 -0.314 0.000 1.408 103 F CB -0.083 38.698 39.000 -0.366 0.000 1.060 103 F HN -0.291 nan 8.300 nan 0.000 0.534 104 V N 0.474 120.309 119.914 -0.131 0.000 2.453 104 V HA -0.386 3.734 4.120 -0.000 0.000 0.252 104 V C 1.821 177.738 176.094 -0.295 0.000 1.068 104 V CA 2.429 64.598 62.300 -0.218 0.000 1.070 104 V CB -1.040 30.671 31.823 -0.187 0.000 0.664 104 V HN 0.394 nan 8.190 nan 0.000 0.461 105 N N -0.207 118.348 118.700 -0.241 0.000 2.216 105 N HA -0.111 4.629 4.740 -0.000 0.000 0.183 105 N C 1.678 177.017 175.510 -0.285 0.000 1.017 105 N CA 1.180 54.108 53.050 -0.202 0.000 0.861 105 N CB -0.259 38.172 38.487 -0.095 0.000 0.986 105 N HN 0.322 nan 8.380 nan 0.000 0.428 106 V N 1.359 120.992 119.914 -0.469 0.000 2.287 106 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 106 V C 2.032 177.797 176.094 -0.548 0.000 1.053 106 V CA 1.477 63.441 62.300 -0.559 0.000 1.027 106 V CB -0.546 30.682 31.823 -0.991 0.000 0.646 106 V HN 0.304 nan 8.190 nan 0.000 0.447 107 I N -0.330 119.823 120.570 -0.695 0.000 2.142 107 I HA -0.325 3.845 4.170 -0.000 0.000 0.240 107 I C 2.724 178.588 176.117 -0.422 0.000 1.078 107 I CA 1.757 62.686 61.300 -0.618 0.000 1.343 107 I CB -0.477 37.191 38.000 -0.553 0.000 1.046 107 I HN 0.345 nan 8.210 nan 0.000 0.405 108 Q N 0.457 120.066 119.800 -0.318 0.000 2.135 108 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 108 Q C 2.326 178.230 176.000 -0.161 0.000 0.981 108 Q CA 1.579 57.254 55.803 -0.214 0.000 0.856 108 Q CB -0.471 28.157 28.738 -0.183 0.000 0.902 108 Q HN 0.663 nan 8.270 nan 0.000 0.425 109 G N 1.245 109.948 108.800 -0.162 0.000 2.471 109 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.219 109 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.219 109 G C 1.010 175.868 174.900 -0.071 0.000 1.125 109 G CA 0.724 45.764 45.100 -0.101 0.000 0.775 109 G HN 0.484 nan 8.290 nan 0.000 0.548 110 Q N -0.608 119.136 119.800 -0.094 0.000 2.157 110 Q HA 0.458 4.798 4.340 -0.000 0.000 0.229 110 Q C -0.327 175.666 176.000 -0.012 0.000 0.827 110 Q CA -0.296 55.491 55.803 -0.027 0.000 1.055 110 Q CB 0.172 28.922 28.738 0.020 0.000 1.157 110 Q HN 0.247 nan 8.270 nan 0.000 0.482 111 L N 2.016 123.206 121.223 -0.054 0.000 2.305 111 L HA 0.549 4.888 4.340 -0.000 0.000 0.284 111 L C -0.713 176.160 176.870 0.005 0.000 1.013 111 L CA -0.806 54.023 54.840 -0.018 0.000 0.819 111 L CB 1.644 43.660 42.059 -0.070 0.000 1.227 111 L HN 0.230 nan 8.230 nan 0.000 0.417 112 M N 2.154 121.782 119.600 0.046 0.000 2.167 112 M HA 0.327 4.807 4.480 -0.000 0.000 0.333 112 M C -0.065 176.272 176.300 0.062 0.000 1.030 112 M CA -0.561 54.773 55.300 0.056 0.000 0.963 112 M CB 1.279 33.936 32.600 0.094 0.000 1.589 112 M HN 0.345 nan 8.290 nan 0.000 0.431 113 S N 1.883 117.606 115.700 0.039 0.000 2.546 113 S HA 0.163 4.633 4.470 -0.000 0.000 0.290 113 S C 1.680 176.316 174.600 0.060 0.000 1.290 113 S CA -0.511 57.712 58.200 0.038 0.000 1.069 113 S CB 0.821 64.031 63.200 0.016 0.000 0.846 113 S HN 0.528 nan 8.310 nan 0.000 0.495 114 V N 2.697 122.660 119.914 0.081 0.000 2.270 114 V HA -0.017 4.103 4.120 -0.000 0.000 0.245 114 V C 1.233 177.335 176.094 0.013 0.000 1.043 114 V CA 1.471 63.814 62.300 0.071 0.000 1.014 114 V CB -0.108 31.799 31.823 0.140 0.000 0.645 114 V HN 0.787 nan 8.190 nan 0.000 0.447 115 S N -0.592 115.133 115.700 0.042 0.000 2.776 115 S HA 0.535 5.004 4.470 -0.000 0.000 0.284 115 S C -1.125 173.476 174.600 0.003 0.000 1.160 115 S CA -0.482 57.704 58.200 -0.022 0.000 1.051 115 S CB 1.481 64.626 63.200 -0.092 0.000 1.037 115 S HN 0.029 nan 8.310 nan 0.000 0.485 116 V N 7.948 127.850 119.914 -0.020 0.000 2.357 116 V HA 0.549 4.669 4.120 -0.000 0.000 0.284 116 V C -1.947 174.126 176.094 -0.034 0.000 1.018 116 V CA -1.782 60.505 62.300 -0.022 0.000 0.841 116 V CB 1.446 33.256 31.823 -0.021 0.000 0.991 116 V HN 0.712 nan 8.190 nan 0.000 0.437 117 P HA 0.183 nan 4.420 nan 0.000 0.274 117 P C -0.176 177.096 177.300 -0.047 0.000 1.246 117 P CA -0.180 62.897 63.100 -0.039 0.000 0.795 117 P CB 0.952 32.630 31.700 -0.037 0.000 1.006 118 V N 2.286 122.175 119.914 -0.042 0.000 2.617 118 V HA -0.061 4.058 4.120 -0.000 0.000 0.304 118 V C 1.329 177.371 176.094 -0.087 0.000 1.040 118 V CA 0.255 62.526 62.300 -0.048 0.000 1.149 118 V CB -0.893 30.922 31.823 -0.013 0.000 0.914 118 V HN 0.621 nan 8.190 nan 0.000 0.487 119 N N 3.846 122.489 118.700 -0.095 0.000 2.470 119 N HA 0.060 4.800 4.740 -0.000 0.000 0.268 119 N C 0.691 176.054 175.510 -0.245 0.000 1.136 119 N CA 0.493 53.466 53.050 -0.128 0.000 0.961 119 N CB 1.476 39.914 38.487 -0.082 0.000 1.067 119 N HN 0.879 nan 8.380 nan 0.000 0.468 120 T N 0.952 115.253 114.554 -0.421 0.000 3.228 120 T HA 0.272 4.622 4.350 -0.000 0.000 0.278 120 T C 0.803 175.114 174.700 -0.648 0.000 1.014 120 T CA -0.432 61.057 62.100 -1.018 0.000 0.904 120 T CB -0.401 67.933 68.868 -0.890 0.000 1.110 120 T HN 0.274 nan 8.240 nan 0.000 0.541 121 L N 2.017 123.103 121.223 -0.229 0.000 2.416 121 L HA 0.386 4.726 4.340 -0.000 0.000 0.272 121 L C 0.043 176.972 176.870 0.097 0.000 1.161 121 L CA -0.769 54.034 54.840 -0.061 0.000 0.845 121 L CB 0.976 43.019 42.059 -0.027 0.000 1.119 121 L HN 0.066 nan 8.230 nan 0.000 0.464 122 V N 4.619 124.600 119.914 0.112 0.000 2.406 122 V HA 0.161 4.281 4.120 -0.000 0.000 0.272 122 V C 0.174 176.331 176.094 0.106 0.000 1.043 122 V CA -0.478 61.931 62.300 0.182 0.000 0.915 122 V CB 1.488 33.402 31.823 0.152 0.000 0.988 122 V HN 0.415 nan 8.190 nan 0.000 0.466 123 V N 5.359 125.335 119.914 0.103 0.000 2.275 123 V HA 0.301 4.421 4.120 -0.000 0.000 0.272 123 V C 0.250 176.371 176.094 0.047 0.000 1.028 123 V CA -0.439 61.900 62.300 0.065 0.000 0.810 123 V CB 1.135 32.998 31.823 0.067 0.000 1.043 123 V HN 1.063 nan 8.190 nan 0.000 0.453 124 D N 1.949 122.370 120.400 0.035 0.000 2.501 124 D HA 0.008 4.648 4.640 -0.000 0.000 0.226 124 D C 1.155 177.464 176.300 0.014 0.000 1.198 124 D CA 0.210 54.221 54.000 0.020 0.000 0.830 124 D CB 0.414 41.225 40.800 0.018 0.000 1.014 124 D HN 0.541 nan 8.370 nan 0.000 0.496 125 T N -2.088 112.478 114.554 0.019 0.000 3.228 125 T HA 0.317 4.667 4.350 -0.000 0.000 0.278 125 T C 0.677 175.388 174.700 0.019 0.000 1.014 125 T CA -0.560 61.550 62.100 0.016 0.000 0.904 125 T CB -0.250 68.628 68.868 0.017 0.000 1.110 125 T HN 0.025 nan 8.240 nan 0.000 0.541 126 L N 1.943 123.179 121.223 0.022 0.000 2.467 126 L HA 0.320 4.660 4.340 -0.000 0.000 0.270 126 L C 1.138 178.019 176.870 0.019 0.000 1.205 126 L CA -0.546 54.310 54.840 0.027 0.000 0.828 126 L CB 0.477 42.556 42.059 0.033 0.000 1.101 126 L HN 0.254 nan 8.230 nan 0.000 0.479 127 S N 1.684 117.398 115.700 0.023 0.000 2.560 127 S HA 0.096 4.566 4.470 -0.000 0.000 0.284 127 S C -1.451 173.157 174.600 0.013 0.000 1.327 127 S CA -1.040 57.170 58.200 0.018 0.000 1.055 127 S CB 0.833 64.047 63.200 0.024 0.000 0.868 127 S HN 0.385 nan 8.310 nan 0.000 0.506 128 P HA -0.080 nan 4.420 nan 0.000 0.221 128 P C 1.351 178.651 177.300 0.001 0.000 1.145 128 P CA 1.308 64.404 63.100 -0.006 0.000 0.795 128 P CB -0.176 31.520 31.700 -0.007 0.000 0.775 129 T N -5.515 109.048 114.554 0.015 0.000 3.055 129 T HA 0.080 4.430 4.350 -0.000 0.000 0.265 129 T C 1.001 175.732 174.700 0.051 0.000 1.111 129 T CA 0.133 62.250 62.100 0.028 0.000 1.118 129 T CB -0.570 68.315 68.868 0.029 0.000 0.909 129 T HN -0.095 nan 8.240 nan 0.000 0.501 130 S N 1.206 116.940 115.700 0.057 0.000 2.580 130 S HA 0.323 4.793 4.470 -0.000 0.000 0.274 130 S C -0.614 174.068 174.600 0.136 0.000 1.329 130 S CA -1.015 57.248 58.200 0.106 0.000 1.036 130 S CB 0.258 63.517 63.200 0.098 0.000 0.919 130 S HN 0.603 nan 8.310 nan 0.000 0.515 131 W N 2.962 124.269 121.300 0.011 0.000 2.251 131 W HA 0.226 4.886 4.660 -0.000 0.000 0.327 131 W C 0.209 176.742 176.519 0.022 0.000 1.361 131 W CA 0.248 57.599 57.345 0.010 0.000 1.234 131 W CB 0.215 29.681 29.460 0.010 0.000 1.212 131 W HN 0.534 nan 8.180 nan 0.000 0.557 132 Q N 4.948 124.421 119.800 -0.545 0.000 2.347 132 Q HA 0.592 4.932 4.340 -0.000 0.000 0.271 132 Q C -0.706 174.845 176.000 -0.749 0.000 1.064 132 Q CA -0.885 54.689 55.803 -0.381 0.000 0.800 132 Q CB 1.813 30.408 28.738 -0.238 0.000 1.304 132 Q HN 0.610 nan 8.270 nan 0.000 0.438 133 A N 2.135 124.729 122.820 -0.376 0.000 2.407 133 A HA 0.259 4.579 4.320 -0.000 0.000 0.248 133 A C 0.457 177.871 177.584 -0.285 0.000 1.082 133 A CA 0.006 51.879 52.037 -0.273 0.000 0.785 133 A CB 0.673 19.777 19.000 0.174 0.000 1.020 133 A HN 0.871 nan 8.150 nan 0.000 0.489 134 S N -0.439 115.113 115.700 -0.246 0.000 2.503 134 S HA 0.120 4.590 4.470 -0.000 0.000 0.217 134 S C 0.846 175.338 174.600 -0.180 0.000 0.999 134 S CA 0.844 58.923 58.200 -0.201 0.000 0.914 134 S CB -0.073 63.028 63.200 -0.165 0.000 0.782 134 S HN 1.118 nan 8.310 nan 0.000 0.520 135 T N -1.308 113.176 114.554 -0.116 0.000 2.865 135 T HA 0.637 4.987 4.350 -0.000 0.000 0.294 135 T C -0.990 173.659 174.700 -0.085 0.000 1.119 135 T CA -0.754 61.283 62.100 -0.106 0.000 1.007 135 T CB 0.727 69.630 68.868 0.060 0.000 1.225 135 T HN -0.085 nan 8.240 nan 0.000 0.515 136 F N 3.058 123.090 119.950 0.136 0.000 2.567 136 F HA 0.404 4.930 4.527 -0.000 0.000 0.352 136 F C 0.372 176.226 175.800 0.091 0.000 1.229 136 F CA -1.699 56.342 58.000 0.068 0.000 1.228 136 F CB -0.856 38.154 39.000 0.017 0.000 1.568 136 F HN 0.566 nan 8.300 nan 0.000 0.634 137 F N -0.520 119.529 119.950 0.165 0.000 2.368 137 F HA 0.647 5.174 4.527 -0.000 0.000 0.308 137 F C -0.135 175.735 175.800 0.117 0.000 1.198 137 F CA -1.682 56.393 58.000 0.125 0.000 1.130 137 F CB -0.100 38.966 39.000 0.109 0.000 1.300 137 F HN -0.165 nan 8.300 nan 0.000 0.537 138 V N 2.737 122.776 119.914 0.208 0.000 2.421 138 V HA 0.292 4.412 4.120 -0.000 0.000 0.271 138 V C 0.059 176.158 176.094 0.008 0.000 1.031 138 V CA -0.062 62.281 62.300 0.071 0.000 1.032 138 V CB -0.659 31.230 31.823 0.110 0.000 1.009 138 V HN 0.705 nan 8.190 nan 0.000 0.477 139 R N 3.847 124.252 120.500 -0.158 0.000 2.807 139 R HA 0.489 4.829 4.340 -0.000 0.000 0.276 139 R C 0.246 176.496 176.300 -0.083 0.000 0.979 139 R CA -0.934 55.053 56.100 -0.189 0.000 0.928 139 R CB 1.215 31.278 30.300 -0.395 0.000 1.191 139 R HN 0.659 nan 8.270 nan 0.000 0.471 140 N N 0.692 119.367 118.700 -0.041 0.000 2.725 140 N HA -0.198 4.542 4.740 -0.000 0.000 0.249 140 N C 0.470 175.966 175.510 -0.023 0.000 1.103 140 N CA 1.595 54.627 53.050 -0.030 0.000 0.707 140 N CB -1.118 37.343 38.487 -0.042 0.000 1.043 140 N HN 1.080 nan 8.380 nan 0.000 0.553 141 G N -1.826 106.966 108.800 -0.013 0.000 2.143 141 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.249 141 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.249 141 G C 0.284 175.178 174.900 -0.011 0.000 0.981 141 G CA 0.873 45.969 45.100 -0.006 0.000 0.665 141 G HN 1.307 nan 8.290 nan 0.000 0.528 142 S N -0.527 115.160 115.700 -0.022 0.000 2.576 142 S HA 0.427 4.897 4.470 -0.000 0.000 0.272 142 S C 0.190 174.778 174.600 -0.021 0.000 1.352 142 S CA 0.151 58.335 58.200 -0.027 0.000 1.021 142 S CB 1.665 64.841 63.200 -0.040 0.000 0.887 142 S HN 0.673 nan 8.310 nan 0.000 0.542 143 N N 2.084 120.764 118.700 -0.033 0.000 2.546 143 N HA 0.354 5.094 4.740 -0.000 0.000 0.238 143 N C -1.702 173.787 175.510 -0.034 0.000 0.984 143 N CA -2.549 50.473 53.050 -0.046 0.000 0.935 143 N CB 1.206 39.638 38.487 -0.092 0.000 1.122 143 N HN 0.369 nan 8.380 nan 0.000 0.510 144 P HA -0.040 nan 4.420 nan 0.000 0.230 144 P C 0.310 177.626 177.300 0.028 0.000 1.158 144 P CA 0.792 63.904 63.100 0.021 0.000 0.769 144 P CB 0.589 32.318 31.700 0.049 0.000 0.807 145 E N -0.181 120.019 120.200 0.001 0.000 2.358 145 E HA -0.087 4.263 4.350 -0.000 0.000 0.195 145 E C 0.900 177.490 176.600 -0.016 0.000 1.010 145 E CA 0.559 56.974 56.400 0.025 0.000 0.856 145 E CB -0.102 29.538 29.700 -0.100 0.000 0.795 145 E HN 0.307 nan 8.360 nan 0.000 0.504 146 Q N 2.194 121.953 119.800 -0.068 0.000 2.314 146 Q HA 0.029 4.369 4.340 -0.000 0.000 0.257 146 Q C -0.789 175.209 176.000 -0.004 0.000 0.975 146 Q CA -0.187 55.575 55.803 -0.069 0.000 0.933 146 Q CB 0.765 29.451 28.738 -0.086 0.000 1.195 146 Q HN -0.196 nan 8.270 nan 0.000 0.426 147 D N 5.866 126.284 120.400 0.029 0.000 2.371 147 D HA 0.049 4.689 4.640 -0.000 0.000 0.256 147 D C -1.696 174.614 176.300 0.017 0.000 1.193 147 D CA -1.788 52.232 54.000 0.034 0.000 0.881 147 D CB 1.314 42.148 40.800 0.056 0.000 1.143 147 D HN 0.439 nan 8.370 nan 0.000 0.473 148 P HA -0.062 nan 4.420 nan 0.000 0.226 148 P C 1.256 178.555 177.300 -0.002 0.000 1.153 148 P CA 0.630 63.725 63.100 -0.009 0.000 0.777 148 P CB 0.340 32.024 31.700 -0.028 0.000 0.794 149 L N -1.160 120.066 121.223 0.005 0.000 2.607 149 L HA 0.184 4.523 4.340 -0.000 0.000 0.228 149 L C 1.441 178.322 176.870 0.018 0.000 1.123 149 L CA 0.233 55.078 54.840 0.007 0.000 0.890 149 L CB -0.122 41.938 42.059 0.002 0.000 1.103 149 L HN -0.173 nan 8.230 nan 0.000 0.468 150 R N -0.299 120.220 120.500 0.031 0.000 2.734 150 R HA 0.205 4.545 4.340 -0.000 0.000 0.395 150 R C -0.398 175.950 176.300 0.080 0.000 1.096 150 R CA -0.262 55.868 56.100 0.050 0.000 1.071 150 R CB 0.339 30.672 30.300 0.055 0.000 1.348 150 R HN 0.054 nan 8.270 nan 0.000 0.600 151 N N 0.510 119.236 118.700 0.044 0.000 2.483 151 N HA 0.383 5.123 4.740 -0.000 0.000 0.285 151 N C -0.692 174.729 175.510 -0.148 0.000 1.210 151 N CA -0.614 52.447 53.050 0.018 0.000 0.931 151 N CB 1.150 39.646 38.487 0.015 0.000 1.220 151 N HN 0.070 nan 8.380 nan 0.000 0.542 152 L N 1.920 122.902 121.223 -0.402 0.000 2.504 152 L HA 0.222 4.562 4.340 -0.000 0.000 0.249 152 L C 1.417 178.100 176.870 -0.311 0.000 1.120 152 L CA -0.288 54.187 54.840 -0.608 0.000 0.997 152 L CB 0.512 41.812 42.059 -1.264 0.000 1.349 152 L HN 0.646 nan 8.230 nan 0.000 0.439 153 S N -0.188 115.423 115.700 -0.147 0.000 2.419 153 S HA -0.136 4.334 4.470 -0.000 0.000 0.235 153 S C 1.768 176.327 174.600 -0.067 0.000 1.019 153 S CA 1.164 59.323 58.200 -0.069 0.000 0.982 153 S CB -0.212 62.962 63.200 -0.044 0.000 0.789 153 S HN 0.635 nan 8.310 nan 0.000 0.490 154 G N 0.447 109.190 108.800 -0.095 0.000 2.813 154 G HA2 0.102 4.062 3.960 -0.000 0.000 0.209 154 G HA3 0.102 4.062 3.960 -0.000 0.000 0.209 154 G C 0.537 175.397 174.900 -0.068 0.000 1.150 154 G CA -0.335 44.722 45.100 -0.072 0.000 0.785 154 G HN 0.377 nan 8.290 nan 0.000 0.535 155 Q N 0.570 120.307 119.800 -0.106 0.000 2.315 155 Q HA 0.451 4.791 4.340 -0.000 0.000 0.289 155 Q C -0.038 175.984 176.000 0.036 0.000 1.044 155 Q CA 0.397 56.169 55.803 -0.051 0.000 0.920 155 Q CB 1.298 29.978 28.738 -0.096 0.000 1.214 155 Q HN 0.303 nan 8.270 nan 0.000 0.392 156 A N 1.967 124.819 122.820 0.053 0.000 2.594 156 A HA 0.756 5.076 4.320 -0.000 0.000 0.291 156 A C -0.995 176.646 177.584 0.095 0.000 1.105 156 A CA -0.506 51.571 52.037 0.067 0.000 0.694 156 A CB 1.395 20.417 19.000 0.037 0.000 1.291 156 A HN 0.492 nan 8.150 nan 0.000 0.410 157 V N -2.271 117.713 119.914 0.117 0.000 3.001 157 V HA 0.955 5.075 4.120 -0.000 0.000 0.314 157 V C -0.499 175.686 176.094 0.152 0.000 1.099 157 V CA -0.511 61.882 62.300 0.155 0.000 0.989 157 V CB 1.612 33.578 31.823 0.239 0.000 1.040 157 V HN 0.909 nan 8.190 nan 0.000 0.434 158 T N 2.634 117.280 114.554 0.154 0.000 2.824 158 T HA 0.608 4.957 4.350 -0.000 0.000 0.282 158 T C -0.429 174.328 174.700 0.095 0.000 0.993 158 T CA -0.492 61.688 62.100 0.134 0.000 0.967 158 T CB 1.259 70.234 68.868 0.177 0.000 0.960 158 T HN 0.779 nan 8.240 nan 0.000 0.441 159 R N 2.502 123.044 120.500 0.071 0.000 2.402 159 R HA 0.615 4.955 4.340 -0.000 0.000 0.290 159 R C -0.829 175.494 176.300 0.038 0.000 1.321 159 R CA -0.593 55.522 56.100 0.024 0.000 1.283 159 R CB 0.946 31.233 30.300 -0.021 0.000 1.111 159 R HN 0.528 nan 8.270 nan 0.000 0.578 160 V N -1.827 118.109 119.914 0.037 0.000 3.178 160 V HA 0.437 4.557 4.120 -0.000 0.000 0.302 160 V C -0.120 175.995 176.094 0.034 0.000 1.262 160 V CA -1.153 61.172 62.300 0.042 0.000 1.030 160 V CB 1.908 33.764 31.823 0.055 0.000 1.074 160 V HN 0.127 nan 8.190 nan 0.000 0.438 161 V N 3.015 122.952 119.914 0.039 0.000 2.540 161 V HA 0.499 4.619 4.120 -0.000 0.000 0.297 161 V C 1.720 177.836 176.094 0.036 0.000 1.024 161 V CA 2.019 64.342 62.300 0.039 0.000 1.105 161 V CB 0.111 31.960 31.823 0.043 0.000 0.938 161 V HN 2.126 nan 8.190 nan 0.000 0.482 162 G N 3.336 112.153 108.800 0.028 0.000 2.213 162 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.236 162 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.236 162 G C 1.012 175.891 174.900 -0.035 0.000 0.991 162 G CA 0.295 45.401 45.100 0.010 0.000 0.629 162 G HN 2.125 nan 8.290 nan 0.000 0.517 163 G N 0.113 108.901 108.800 -0.021 0.000 2.582 163 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.288 163 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.288 163 G C 1.173 176.010 174.900 -0.106 0.000 1.247 163 G CA 1.236 46.313 45.100 -0.037 0.000 0.972 163 G HN 1.085 nan 8.290 nan 0.000 0.557 164 M N 1.513 121.011 119.600 -0.171 0.000 2.476 164 M HA 0.002 4.482 4.480 -0.000 0.000 0.262 164 M C 2.705 178.661 176.300 -0.573 0.000 1.079 164 M CA 1.691 56.743 55.300 -0.413 0.000 1.104 164 M CB -0.206 32.258 32.600 -0.227 0.000 1.409 164 M HN 0.724 nan 8.290 nan 0.000 0.467 165 S N -0.417 115.007 115.700 -0.459 0.000 2.603 165 S HA -0.067 4.403 4.470 -0.000 0.000 0.229 165 S C 1.664 176.158 174.600 -0.178 0.000 0.972 165 S CA 1.172 59.004 58.200 -0.613 0.000 0.935 165 S CB -0.975 61.881 63.200 -0.574 0.000 0.769 165 S HN 0.574 nan 8.310 nan 0.000 0.536 166 T N -0.688 113.750 114.554 -0.194 0.000 3.118 166 T HA 0.020 4.370 4.350 -0.000 0.000 0.260 166 T C 1.352 175.870 174.700 -0.303 0.000 1.139 166 T CA 0.893 62.901 62.100 -0.153 0.000 1.085 166 T CB -0.691 68.173 68.868 -0.007 0.000 0.934 166 T HN 0.917 nan 8.240 nan 0.000 0.518 167 H N -2.010 116.976 119.070 -0.139 0.000 3.680 167 H HA 0.198 4.754 4.556 -0.000 0.000 0.260 167 H C 0.525 176.053 175.328 0.332 0.000 1.183 167 H CA -1.026 55.073 56.048 0.084 0.000 1.159 167 H CB -0.444 29.367 29.762 0.081 0.000 1.567 167 H HN 0.475 nan 8.280 nan 0.000 0.648 168 W N 2.711 123.997 121.300 -0.024 0.000 2.034 168 W HA 0.290 4.950 4.660 -0.000 0.000 0.357 168 W C -0.055 176.577 176.519 0.188 0.000 1.326 168 W CA -0.096 57.329 57.345 0.134 0.000 1.318 168 W CB -0.148 29.320 29.460 0.013 0.000 1.193 168 W HN -0.176 nan 8.180 nan 0.000 0.620 169 T N 1.007 115.547 114.554 -0.023 0.000 3.113 169 T HA 0.013 4.363 4.350 -0.000 0.000 0.256 169 T C 1.027 175.322 174.700 -0.674 0.000 1.131 169 T CA 1.064 62.975 62.100 -0.315 0.000 1.074 169 T CB -0.521 68.322 68.868 -0.042 0.000 0.944 169 T HN 0.665 nan 8.240 nan 0.000 0.516 170 C N 0.901 119.426 119.300 -1.292 0.000 4.617 170 C HA -0.112 4.348 4.460 -0.000 0.000 0.260 170 C C 1.116 175.631 174.990 -0.791 0.000 1.288 170 C CA -0.721 57.290 59.018 -1.679 0.000 1.668 170 C CB -2.644 24.582 27.740 -0.858 0.000 1.518 170 C HN 0.760 nan 8.230 nan 0.000 0.708 171 A N 1.076 123.637 122.820 -0.433 0.000 2.409 171 A HA 0.581 4.901 4.320 -0.000 0.000 0.267 171 A C 0.743 178.250 177.584 -0.128 0.000 1.127 171 A CA 1.074 53.001 52.037 -0.183 0.000 0.795 171 A CB 0.213 19.178 19.000 -0.060 0.000 1.061 171 A HN 1.391 nan 8.150 nan 0.000 0.502 172 T N 1.452 115.947 114.554 -0.099 0.000 3.504 172 T HA 0.521 4.871 4.350 -0.000 0.000 0.286 172 T C -2.785 171.874 174.700 -0.068 0.000 1.530 172 T CA -1.433 60.642 62.100 -0.041 0.000 1.652 172 T CB 0.616 69.491 68.868 0.012 0.000 0.895 172 T HN 0.443 nan 8.240 nan 0.000 0.674 173 P HA 0.411 nan 4.420 nan 0.000 0.279 173 P C -0.204 176.958 177.300 -0.230 0.000 1.252 173 P CA -0.678 62.331 63.100 -0.152 0.000 0.811 173 P CB 1.146 32.738 31.700 -0.180 0.000 1.035 174 R N 0.824 121.102 120.500 -0.370 0.000 2.582 174 R HA 0.354 4.694 4.340 -0.000 0.000 0.271 174 R C 0.096 176.273 176.300 -0.205 0.000 1.078 174 R CA -0.365 55.319 56.100 -0.693 0.000 1.127 174 R CB 0.087 29.818 30.300 -0.947 0.000 1.038 174 R HN 0.370 nan 8.270 nan 0.000 0.500 175 F N 2.047 121.765 119.950 -0.386 0.000 2.412 175 F HA 0.038 4.565 4.527 -0.000 0.000 0.348 175 F C 0.997 176.614 175.800 -0.305 0.000 1.102 175 F CA -1.451 56.353 58.000 -0.327 0.000 1.196 175 F CB 0.229 39.029 39.000 -0.334 0.000 1.144 175 F HN 0.541 nan 8.300 nan 0.000 0.541 176 D N 2.421 122.755 120.400 -0.110 0.000 2.377 176 D HA 0.135 4.775 4.640 -0.000 0.000 0.245 176 D C 1.019 177.237 176.300 -0.137 0.000 1.196 176 D CA -0.465 53.467 54.000 -0.113 0.000 0.962 176 D CB 0.550 41.299 40.800 -0.086 0.000 1.127 176 D HN 0.479 nan 8.370 nan 0.000 0.471 177 R N -0.100 120.341 120.500 -0.097 0.000 2.119 177 R HA -0.239 4.101 4.340 -0.000 0.000 0.246 177 R C 2.016 178.261 176.300 -0.091 0.000 1.146 177 R CA 2.002 58.050 56.100 -0.087 0.000 0.962 177 R CB -0.397 29.887 30.300 -0.028 0.000 0.863 177 R HN 0.715 nan 8.270 nan 0.000 0.442 178 E N 0.919 121.065 120.200 -0.090 0.000 2.204 178 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 178 E C 1.509 178.006 176.600 -0.172 0.000 0.990 178 E CA 1.192 57.547 56.400 -0.075 0.000 0.821 178 E CB 0.186 29.893 29.700 0.011 0.000 0.750 178 E HN 0.438 nan 8.360 nan 0.000 0.477 179 Q N -0.491 119.113 119.800 -0.326 0.000 2.356 179 Q HA 0.132 4.472 4.340 -0.000 0.000 0.205 179 Q C 0.309 176.207 176.000 -0.170 0.000 0.901 179 Q CA -0.101 55.440 55.803 -0.437 0.000 0.938 179 Q CB 0.614 28.784 28.738 -0.946 0.000 1.081 179 Q HN -0.036 nan 8.270 nan 0.000 0.517 180 R N 1.985 122.427 120.500 -0.096 0.000 2.460 180 R HA 0.308 4.648 4.340 -0.000 0.000 0.303 180 R C -2.548 173.729 176.300 -0.038 0.000 0.968 180 R CA -2.089 53.954 56.100 -0.095 0.000 0.889 180 R CB 1.077 31.146 30.300 -0.385 0.000 1.123 180 R HN -0.112 nan 8.270 nan 0.000 0.455 181 P HA 0.087 nan 4.420 nan 0.000 0.274 181 P C -0.670 176.798 177.300 0.279 0.000 1.237 181 P CA -0.247 62.941 63.100 0.147 0.000 0.793 181 P CB 0.767 32.562 31.700 0.157 0.000 0.977 182 L N 2.264 123.611 121.223 0.206 0.000 2.349 182 L HA 0.199 4.539 4.340 -0.000 0.000 0.275 182 L C 1.600 178.612 176.870 0.238 0.000 1.115 182 L CA -0.248 54.773 54.840 0.302 0.000 0.820 182 L CB 0.423 42.687 42.059 0.342 0.000 1.135 182 L HN 0.358 nan 8.230 nan 0.000 0.445 183 L N 3.541 124.951 121.223 0.311 0.000 2.575 183 L HA 0.224 4.564 4.340 -0.000 0.000 0.228 183 L C -0.330 176.718 176.870 0.297 0.000 1.075 183 L CA 0.168 55.087 54.840 0.131 0.000 0.867 183 L CB 0.848 42.782 42.059 -0.209 0.000 1.097 183 L HN 0.319 nan 8.230 nan 0.000 0.485 184 V N 0.230 120.328 119.914 0.307 0.000 2.577 184 V HA 0.319 4.439 4.120 -0.000 0.000 0.303 184 V C -0.179 176.016 176.094 0.168 0.000 1.042 184 V CA -1.066 61.354 62.300 0.201 0.000 0.872 184 V CB 2.085 33.969 31.823 0.102 0.000 0.998 184 V HN -0.004 nan 8.190 nan 0.000 0.423 185 K N 2.327 122.707 120.400 -0.034 0.000 2.218 185 K HA 0.220 4.540 4.320 -0.000 0.000 0.276 185 K C -0.027 176.549 176.600 -0.040 0.000 1.022 185 K CA -0.103 56.119 56.287 -0.107 0.000 0.946 185 K CB 0.621 32.890 32.500 -0.385 0.000 1.000 185 K HN 0.855 nan 8.250 nan 0.000 0.468 186 D N 1.819 122.218 120.400 -0.002 0.000 2.701 186 D HA -0.219 4.421 4.640 -0.000 0.000 0.235 186 D C -0.480 175.829 176.300 0.015 0.000 1.155 186 D CA 1.218 55.221 54.000 0.005 0.000 0.649 186 D CB -0.684 40.107 40.800 -0.016 0.000 1.050 186 D HN 0.537 nan 8.370 nan 0.000 0.425 187 D N -1.547 118.875 120.400 0.036 0.000 2.668 187 D HA 0.365 5.005 4.640 -0.000 0.000 0.234 187 D C 0.802 177.140 176.300 0.063 0.000 1.349 187 D CA 0.156 54.180 54.000 0.041 0.000 0.889 187 D CB 0.333 41.151 40.800 0.030 0.000 1.520 187 D HN 0.003 nan 8.370 nan 0.000 0.521 188 A N 2.134 124.993 122.820 0.064 0.000 1.969 188 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 188 A C 1.626 179.260 177.584 0.083 0.000 1.169 188 A CA 1.304 53.389 52.037 0.079 0.000 0.635 188 A CB 0.049 19.087 19.000 0.065 0.000 0.810 188 A HN 0.406 nan 8.150 nan 0.000 0.445 189 D N 0.099 120.538 120.400 0.064 0.000 2.117 189 D HA 0.004 4.644 4.640 -0.000 0.000 0.198 189 D C 2.225 178.565 176.300 0.066 0.000 0.982 189 D CA 1.472 55.508 54.000 0.060 0.000 0.828 189 D CB -0.398 40.428 40.800 0.043 0.000 0.967 189 D HN 0.407 nan 8.370 nan 0.000 0.464 190 A N 0.659 123.515 122.820 0.060 0.000 1.930 190 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 190 A C 1.946 179.576 177.584 0.077 0.000 1.175 190 A CA 1.881 53.950 52.037 0.053 0.000 0.627 190 A CB -0.568 18.456 19.000 0.040 0.000 0.815 190 A HN 0.171 nan 8.150 nan 0.000 0.443 191 D N -0.242 120.227 120.400 0.116 0.000 2.097 191 D HA -0.156 4.484 4.640 -0.000 0.000 0.195 191 D C 1.296 177.762 176.300 0.276 0.000 0.989 191 D CA 1.527 55.644 54.000 0.194 0.000 0.827 191 D CB -0.112 40.828 40.800 0.233 0.000 0.966 191 D HN 0.322 nan 8.370 nan 0.000 0.456 192 D N -0.183 120.344 120.400 0.213 0.000 2.123 192 D HA -0.148 4.492 4.640 -0.000 0.000 0.196 192 D C 2.000 178.412 176.300 0.187 0.000 0.992 192 D CA 1.461 55.586 54.000 0.209 0.000 0.833 192 D CB -0.606 40.272 40.800 0.129 0.000 0.954 192 D HN 0.321 nan 8.370 nan 0.000 0.455 193 A N 0.699 123.590 122.820 0.119 0.000 1.865 193 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 193 A C 2.179 179.794 177.584 0.052 0.000 1.191 193 A CA 2.140 54.222 52.037 0.076 0.000 0.623 193 A CB -0.692 18.335 19.000 0.046 0.000 0.826 193 A HN 0.231 nan 8.150 nan 0.000 0.444 194 E N -1.000 119.210 120.200 0.017 0.000 2.051 194 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 194 E C 1.712 178.221 176.600 -0.152 0.000 0.991 194 E CA 1.647 57.986 56.400 -0.100 0.000 0.799 194 E CB -0.458 29.136 29.700 -0.176 0.000 0.748 194 E HN 0.721 nan 8.360 nan 0.000 0.449 195 W N 0.791 122.056 121.300 -0.059 0.000 2.338 195 W HA -0.142 4.518 4.660 -0.000 0.000 0.304 195 W C 2.199 178.715 176.519 -0.005 0.000 1.212 195 W CA 1.316 58.593 57.345 -0.113 0.000 1.264 195 W CB -0.455 28.984 29.460 -0.035 0.000 1.142 195 W HN 0.261 nan 8.180 nan 0.000 0.512 196 D N -0.069 120.501 120.400 0.284 0.000 2.144 196 D HA -0.209 4.431 4.640 -0.000 0.000 0.199 196 D C 2.133 178.509 176.300 0.126 0.000 0.984 196 D CA 1.455 55.590 54.000 0.225 0.000 0.834 196 D CB -0.192 40.697 40.800 0.149 0.000 0.955 196 D HN 0.004 nan 8.370 nan 0.000 0.465 197 R N -0.335 120.191 120.500 0.043 0.000 2.070 197 R HA -0.070 4.270 4.340 -0.000 0.000 0.233 197 R C 2.450 178.709 176.300 -0.067 0.000 1.137 197 R CA 1.161 57.248 56.100 -0.022 0.000 0.945 197 R CB -0.311 29.954 30.300 -0.058 0.000 0.845 197 R HN 0.244 nan 8.270 nan 0.000 0.430 198 L N -0.494 120.651 121.223 -0.130 0.000 2.027 198 L HA -0.184 4.156 4.340 -0.000 0.000 0.206 198 L C 2.397 179.191 176.870 -0.126 0.000 1.074 198 L CA 1.222 55.930 54.840 -0.220 0.000 0.745 198 L CB -0.653 41.163 42.059 -0.406 0.000 0.898 198 L HN 0.211 nan 8.230 nan 0.000 0.433 199 Y N 0.406 120.707 120.300 0.002 0.000 2.165 199 Y HA -0.251 4.299 4.550 -0.000 0.000 0.286 199 Y C 2.889 178.769 175.900 -0.034 0.000 1.155 199 Y CA 1.614 59.722 58.100 0.013 0.000 1.164 199 Y CB -1.161 37.338 38.460 0.065 0.000 0.978 199 Y HN 0.140 nan 8.280 nan 0.000 0.513 200 T N -0.366 114.263 114.554 0.125 0.000 2.746 200 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 200 T C 1.986 176.659 174.700 -0.045 0.000 1.039 200 T CA 1.705 63.830 62.100 0.042 0.000 1.142 200 T CB -0.163 68.722 68.868 0.028 0.000 0.866 200 T HN 0.236 nan 8.240 nan 0.000 0.444 201 K N 0.715 121.030 120.400 -0.143 0.000 2.057 201 K HA 0.045 4.365 4.320 -0.000 0.000 0.206 201 K C 2.543 178.837 176.600 -0.511 0.000 1.050 201 K CA 1.024 57.104 56.287 -0.345 0.000 0.935 201 K CB -0.271 31.970 32.500 -0.432 0.000 0.715 201 K HN 0.261 nan 8.250 nan 0.000 0.439 202 A N 1.376 123.995 122.820 -0.335 0.000 1.908 202 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 202 A C 1.798 179.390 177.584 0.014 0.000 1.181 202 A CA 1.785 53.691 52.037 -0.219 0.000 0.627 202 A CB -0.490 18.490 19.000 -0.033 0.000 0.818 202 A HN 0.451 nan 8.150 nan 0.000 0.445 203 E N 0.215 120.464 120.200 0.081 0.000 2.110 203 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 203 E C 2.372 179.061 176.600 0.149 0.000 0.988 203 E CA 1.426 57.919 56.400 0.155 0.000 0.804 203 E CB -0.201 29.562 29.700 0.105 0.000 0.745 203 E HN 0.828 nan 8.360 nan 0.000 0.458 204 S N 0.283 116.027 115.700 0.073 0.000 2.368 204 S HA -0.193 4.277 4.470 -0.000 0.000 0.224 204 S C 1.960 176.711 174.600 0.252 0.000 1.029 204 S CA 0.782 59.056 58.200 0.123 0.000 0.988 204 S CB -0.518 62.731 63.200 0.082 0.000 0.838 204 S HN 0.200 nan 8.310 nan 0.000 0.462 205 Y N 0.701 121.016 120.300 0.025 0.000 2.165 205 Y HA 0.074 4.624 4.550 -0.000 0.000 0.286 205 Y C 2.175 178.111 175.900 0.060 0.000 1.155 205 Y CA 0.044 58.127 58.100 -0.029 0.000 1.164 205 Y CB -1.173 37.185 38.460 -0.170 0.000 0.978 205 Y HN 0.296 nan 8.280 nan 0.000 0.513 206 F N 0.231 120.336 119.950 0.258 0.000 2.710 206 F HA 0.014 4.541 4.527 -0.000 0.000 0.298 206 F C 0.860 176.771 175.800 0.185 0.000 1.137 206 F CA 0.291 58.433 58.000 0.237 0.000 1.444 206 F CB -0.350 38.808 39.000 0.263 0.000 1.111 206 F HN 0.026 nan 8.300 nan 0.000 0.580 207 Q N 0.408 120.403 119.800 0.324 0.000 2.468 207 Q HA -0.190 4.149 4.340 -0.000 0.000 0.289 207 Q C 0.072 176.160 176.000 0.147 0.000 1.299 207 Q CA 0.754 56.671 55.803 0.190 0.000 0.838 207 Q CB -2.705 26.122 28.738 0.148 0.000 1.195 207 Q HN 0.218 nan 8.270 nan 0.000 0.456 208 T N -0.016 114.642 114.554 0.173 0.000 2.916 208 T HA 0.455 4.805 4.350 -0.000 0.000 0.303 208 T C 0.804 175.537 174.700 0.055 0.000 1.025 208 T CA 0.594 62.757 62.100 0.104 0.000 1.142 208 T CB 1.299 70.240 68.868 0.122 0.000 0.947 208 T HN 0.494 nan 8.240 nan 0.000 0.544 209 G N 0.713 109.528 108.800 0.026 0.000 2.687 209 G HA2 0.562 4.522 3.960 -0.000 0.000 0.291 209 G HA3 0.562 4.522 3.960 -0.000 0.000 0.291 209 G C 0.030 174.938 174.900 0.014 0.000 1.420 209 G CA -0.467 44.640 45.100 0.013 0.000 0.796 209 G HN 0.622 nan 8.290 nan 0.000 0.485 210 T N -2.530 112.032 114.554 0.014 0.000 3.337 210 T HA 0.259 4.609 4.350 -0.000 0.000 0.299 210 T C 0.089 174.803 174.700 0.024 0.000 0.998 210 T CA 0.556 62.674 62.100 0.030 0.000 0.948 210 T CB 0.399 69.290 68.868 0.038 0.000 1.170 210 T HN 0.487 nan 8.240 nan 0.000 0.508 211 D N 0.390 120.785 120.400 -0.009 0.000 2.500 211 D HA 0.070 4.710 4.640 -0.000 0.000 0.217 211 D C 1.342 177.574 176.300 -0.113 0.000 1.159 211 D CA -0.052 53.921 54.000 -0.046 0.000 0.828 211 D CB -0.014 40.754 40.800 -0.053 0.000 1.039 211 D HN 0.270 nan 8.370 nan 0.000 0.512 212 Q N -0.433 119.296 119.800 -0.118 0.000 2.369 212 Q HA 0.158 4.498 4.340 -0.000 0.000 0.206 212 Q C 0.263 175.880 176.000 -0.638 0.000 0.963 212 Q CA 0.850 56.450 55.803 -0.339 0.000 0.894 212 Q CB -0.222 28.303 28.738 -0.355 0.000 0.965 212 Q HN 0.280 nan 8.270 nan 0.000 0.475 213 F N -0.083 119.701 119.950 -0.277 0.000 2.698 213 F HA 0.238 4.765 4.527 -0.000 0.000 0.304 213 F C 1.223 176.817 175.800 -0.343 0.000 1.108 213 F CA -0.581 57.212 58.000 -0.345 0.000 1.263 213 F CB 0.339 39.054 39.000 -0.475 0.000 1.013 213 F HN -0.006 nan 8.300 nan 0.000 0.532 214 K N 0.424 120.727 120.400 -0.161 0.000 2.209 214 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 214 K C 0.610 177.113 176.600 -0.161 0.000 1.048 214 K CA 1.722 57.962 56.287 -0.079 0.000 0.940 214 K CB -0.185 32.261 32.500 -0.091 0.000 0.729 214 K HN 0.334 nan 8.250 nan 0.000 0.451 215 E N 1.604 121.587 120.200 -0.361 0.000 2.499 215 E HA 0.056 4.406 4.350 -0.000 0.000 0.199 215 E C -0.663 175.747 176.600 -0.316 0.000 1.016 215 E CA -0.334 55.623 56.400 -0.738 0.000 0.933 215 E CB 0.975 30.047 29.700 -1.048 0.000 1.050 215 E HN 0.214 nan 8.360 nan 0.000 0.462 216 S N 0.732 116.397 115.700 -0.059 0.000 2.531 216 S HA 0.129 4.599 4.470 -0.000 0.000 0.279 216 S C 1.229 175.888 174.600 0.099 0.000 1.305 216 S CA -0.368 57.865 58.200 0.055 0.000 1.058 216 S CB 0.448 63.746 63.200 0.163 0.000 0.899 216 S HN 0.208 nan 8.310 nan 0.000 0.493 217 I N 4.989 125.502 120.570 -0.096 0.000 2.163 217 I HA -0.155 4.015 4.170 -0.000 0.000 0.240 217 I C 2.751 178.678 176.117 -0.317 0.000 1.081 217 I CA 1.159 62.143 61.300 -0.526 0.000 1.353 217 I CB -0.252 37.230 38.000 -0.864 0.000 1.054 217 I HN 0.709 nan 8.210 nan 0.000 0.407 218 R N -0.434 119.975 120.500 -0.152 0.000 2.103 218 R HA -0.269 4.071 4.340 -0.000 0.000 0.242 218 R C 2.381 178.704 176.300 0.038 0.000 1.142 218 R CA 2.044 58.114 56.100 -0.049 0.000 0.960 218 R CB -0.749 29.537 30.300 -0.024 0.000 0.858 218 R HN 0.442 nan 8.270 nan 0.000 0.439 219 H N 0.972 120.050 119.070 0.014 0.000 2.293 219 H HA -0.045 4.511 4.556 -0.000 0.000 0.300 219 H C 1.783 177.174 175.328 0.104 0.000 1.082 219 H CA 1.894 57.975 56.048 0.055 0.000 1.308 219 H CB -0.105 29.719 29.762 0.103 0.000 1.375 219 H HN 0.138 nan 8.280 nan 0.000 0.495 220 N N 0.041 118.831 118.700 0.150 0.000 2.270 220 N HA -0.119 4.621 4.740 -0.000 0.000 0.181 220 N C 2.016 177.662 175.510 0.227 0.000 1.016 220 N CA 0.930 54.105 53.050 0.209 0.000 0.870 220 N CB -0.176 38.642 38.487 0.550 0.000 0.979 220 N HN 0.305 nan 8.380 nan 0.000 0.431 221 L N 1.344 122.709 121.223 0.237 0.000 2.012 221 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 221 L C 2.111 179.039 176.870 0.097 0.000 1.073 221 L CA 1.407 56.400 54.840 0.255 0.000 0.748 221 L CB -0.555 41.611 42.059 0.178 0.000 0.891 221 L HN -0.125 nan 8.230 nan 0.000 0.431 222 V N -0.844 119.076 119.914 0.011 0.000 2.323 222 V HA -0.230 3.889 4.120 -0.000 0.000 0.244 222 V C 2.421 178.442 176.094 -0.123 0.000 1.041 222 V CA 1.497 63.770 62.300 -0.045 0.000 1.025 222 V CB -0.668 31.107 31.823 -0.081 0.000 0.656 222 V HN 0.486 nan 8.190 nan 0.000 0.451 223 L N 1.136 122.251 121.223 -0.180 0.000 1.989 223 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 223 L C 2.222 179.022 176.870 -0.117 0.000 1.071 223 L CA 2.147 56.870 54.840 -0.194 0.000 0.749 223 L CB -1.059 40.851 42.059 -0.247 0.000 0.890 223 L HN 0.315 nan 8.230 nan 0.000 0.431 224 N N -0.243 118.440 118.700 -0.029 0.000 2.120 224 N HA -0.202 4.538 4.740 -0.000 0.000 0.188 224 N C 1.842 177.336 175.510 -0.027 0.000 1.024 224 N CA 1.311 54.365 53.050 0.006 0.000 0.852 224 N CB -0.336 38.187 38.487 0.060 0.000 1.003 224 N HN 0.284 nan 8.380 nan 0.000 0.424 225 K N 1.352 121.734 120.400 -0.030 0.000 2.026 225 K HA 0.063 4.383 4.320 -0.000 0.000 0.208 225 K C 1.924 178.479 176.600 -0.075 0.000 1.048 225 K CA 0.938 57.206 56.287 -0.031 0.000 0.929 225 K CB -0.462 32.038 32.500 -0.000 0.000 0.713 225 K HN 0.133 nan 8.250 nan 0.000 0.439 226 L N 0.042 121.149 121.223 -0.193 0.000 2.109 226 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 226 L C 2.185 178.863 176.870 -0.321 0.000 1.086 226 L CA 1.491 56.104 54.840 -0.378 0.000 0.760 226 L CB -0.690 40.767 42.059 -1.004 0.000 0.910 226 L HN 0.227 nan 8.230 nan 0.000 0.437 227 T N -0.745 113.668 114.554 -0.236 0.000 2.720 227 T HA -0.264 4.086 4.350 -0.000 0.000 0.268 227 T C 1.773 176.528 174.700 0.090 0.000 1.037 227 T CA 1.775 63.909 62.100 0.056 0.000 1.144 227 T CB -0.105 68.809 68.868 0.077 0.000 0.864 227 T HN 0.408 nan 8.240 nan 0.000 0.444 228 E N 0.640 120.855 120.200 0.025 0.000 2.047 228 E HA -0.157 4.192 4.350 -0.000 0.000 0.191 228 E C 2.179 178.781 176.600 0.003 0.000 0.987 228 E CA 0.847 57.257 56.400 0.016 0.000 0.799 228 E CB 0.041 29.734 29.700 -0.011 0.000 0.752 228 E HN 0.350 nan 8.360 nan 0.000 0.449 229 E N -0.251 119.935 120.200 -0.024 0.000 2.171 229 E HA -0.196 4.154 4.350 -0.000 0.000 0.197 229 E C 0.940 177.390 176.600 -0.249 0.000 0.997 229 E CA 1.127 57.440 56.400 -0.146 0.000 0.810 229 E CB -0.106 29.480 29.700 -0.190 0.000 0.738 229 E HN 0.499 nan 8.360 nan 0.000 0.467 230 Y N 0.237 120.578 120.300 0.069 0.000 2.681 230 Y HA 0.187 4.737 4.550 -0.000 0.000 0.267 230 Y C 0.637 176.604 175.900 0.111 0.000 1.166 230 Y CA -0.398 57.781 58.100 0.131 0.000 1.209 230 Y CB 0.400 39.034 38.460 0.291 0.000 1.161 230 Y HN -0.279 nan 8.280 nan 0.000 0.534 231 K N 0.686 121.180 120.400 0.156 0.000 2.484 231 K HA 0.095 4.415 4.320 -0.000 0.000 0.280 231 K C 1.201 177.861 176.600 0.100 0.000 1.013 231 K CA 1.304 57.661 56.287 0.117 0.000 1.029 231 K CB 0.125 32.663 32.500 0.062 0.000 0.902 231 K HN 0.670 nan 8.250 nan 0.000 0.481 232 G N 3.131 111.991 108.800 0.100 0.000 2.189 232 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.267 232 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.267 232 G C 0.630 175.586 174.900 0.092 0.000 0.975 232 G CA 0.869 46.017 45.100 0.079 0.000 0.644 232 G HN 0.747 nan 8.290 nan 0.000 0.537 233 Q N -1.415 118.467 119.800 0.137 0.000 2.580 233 Q HA 0.268 4.608 4.340 -0.000 0.000 0.239 233 Q C 1.152 177.237 176.000 0.142 0.000 0.873 233 Q CA 0.211 56.106 55.803 0.153 0.000 0.951 233 Q CB 0.917 29.784 28.738 0.216 0.000 1.172 233 Q HN 0.498 nan 8.270 nan 0.000 0.616 234 R N 0.502 121.096 120.500 0.157 0.000 2.740 234 R HA 0.391 4.731 4.340 -0.000 0.000 0.273 234 R C -1.672 174.632 176.300 0.007 0.000 0.998 234 R CA -0.753 55.340 56.100 -0.012 0.000 0.900 234 R CB 1.635 31.725 30.300 -0.351 0.000 1.223 234 R HN -0.048 nan 8.270 nan 0.000 0.466 235 D N 1.395 121.728 120.400 -0.113 0.000 2.193 235 D HA 0.369 5.009 4.640 -0.000 0.000 0.244 235 D C -0.823 175.322 176.300 -0.259 0.000 1.064 235 D CA 0.060 54.037 54.000 -0.039 0.000 0.845 235 D CB 1.073 41.865 40.800 -0.014 0.000 1.148 235 D HN 0.138 nan 8.370 nan 0.000 0.464 236 F N 1.120 121.075 119.950 0.007 0.000 2.492 236 F HA 0.398 4.925 4.527 -0.000 0.000 0.327 236 F C 0.762 176.577 175.800 0.024 0.000 1.079 236 F CA -0.657 57.341 58.000 -0.003 0.000 0.967 236 F CB 1.621 40.613 39.000 -0.014 0.000 1.169 236 F HN 0.200 nan 8.300 nan 0.000 0.472 237 Q N 0.217 120.128 119.800 0.186 0.000 2.693 237 Q HA 0.366 4.706 4.340 -0.000 0.000 0.306 237 Q C -1.462 174.651 176.000 0.189 0.000 0.969 237 Q CA -1.296 54.604 55.803 0.161 0.000 0.757 237 Q CB 1.738 30.536 28.738 0.099 0.000 1.494 237 Q HN 0.619 nan 8.270 nan 0.000 0.459 238 Q N 0.940 120.872 119.800 0.220 0.000 2.337 238 Q HA 0.215 4.555 4.340 -0.000 0.000 0.270 238 Q C -0.518 175.547 176.000 0.108 0.000 1.002 238 Q CA -0.224 55.713 55.803 0.224 0.000 0.888 238 Q CB 0.490 29.320 28.738 0.153 0.000 1.222 238 Q HN 0.583 nan 8.270 nan 0.000 0.400 239 I N 6.890 127.504 120.570 0.072 0.000 2.919 239 I HA -0.102 4.068 4.170 -0.000 0.000 0.299 239 I C -1.987 174.144 176.117 0.022 0.000 1.221 239 I CA -1.078 60.240 61.300 0.029 0.000 1.424 239 I CB 0.019 38.005 38.000 -0.022 0.000 1.358 239 I HN 0.441 nan 8.210 nan 0.000 0.551 240 P HA 0.255 nan 4.420 nan 0.000 0.271 240 P C -0.892 176.399 177.300 -0.015 0.000 1.226 240 P CA 0.120 63.222 63.100 0.003 0.000 0.765 240 P CB 0.526 32.217 31.700 -0.015 0.000 0.835 241 L N 2.294 123.516 121.223 -0.002 0.000 2.386 241 L HA 0.643 4.983 4.340 -0.000 0.000 0.271 241 L C 0.185 177.040 176.870 -0.026 0.000 0.993 241 L CA -1.162 53.669 54.840 -0.015 0.000 0.819 241 L CB 2.204 44.317 42.059 0.089 0.000 1.294 241 L HN 0.233 nan 8.230 nan 0.000 0.414 242 A N 2.997 125.757 122.820 -0.099 0.000 2.666 242 A HA 0.776 5.096 4.320 -0.000 0.000 0.312 242 A C -0.008 177.583 177.584 0.011 0.000 1.471 242 A CA 0.076 52.094 52.037 -0.032 0.000 1.134 242 A CB -0.312 18.590 19.000 -0.164 0.000 1.129 242 A HN 0.787 nan 8.150 nan 0.000 0.539 243 A N 1.768 124.568 122.820 -0.033 0.000 2.590 243 A HA 0.733 5.053 4.320 -0.000 0.000 0.296 243 A C -0.514 176.955 177.584 -0.193 0.000 1.050 243 A CA -0.467 51.453 52.037 -0.196 0.000 0.697 243 A CB 0.785 19.496 19.000 -0.481 0.000 1.277 243 A HN 0.621 nan 8.150 nan 0.000 0.411 244 T N 1.464 115.875 114.554 -0.239 0.000 2.840 244 T HA 0.481 4.831 4.350 -0.000 0.000 0.287 244 T C -0.034 174.512 174.700 -0.258 0.000 0.991 244 T CA -0.442 61.544 62.100 -0.189 0.000 0.964 244 T CB 1.231 70.045 68.868 -0.089 0.000 0.954 244 T HN 0.723 nan 8.240 nan 0.000 0.438 245 R N 2.349 122.685 120.500 -0.275 0.000 2.442 245 R HA 0.216 4.556 4.340 -0.000 0.000 0.291 245 R C 0.812 177.028 176.300 -0.139 0.000 1.069 245 R CA -0.285 55.650 56.100 -0.274 0.000 1.022 245 R CB 0.368 30.467 30.300 -0.335 0.000 0.976 245 R HN 0.443 nan 8.270 nan 0.000 0.443 246 R N 1.144 121.613 120.500 -0.051 0.000 2.250 246 R HA 0.119 4.459 4.340 -0.000 0.000 0.194 246 R C 0.334 176.620 176.300 -0.023 0.000 0.927 246 R CA 0.665 56.763 56.100 -0.004 0.000 1.052 246 R CB 0.396 30.740 30.300 0.074 0.000 1.055 246 R HN 0.746 nan 8.270 nan 0.000 0.537 247 S N -1.029 114.668 115.700 -0.005 0.000 2.656 247 S HA 0.406 4.876 4.470 -0.000 0.000 0.273 247 S C -2.589 171.981 174.600 -0.050 0.000 1.168 247 S CA -1.092 57.094 58.200 -0.022 0.000 0.817 247 S CB 2.240 65.448 63.200 0.013 0.000 1.146 247 S HN -0.257 nan 8.310 nan 0.000 0.475 248 P HA 0.068 nan 4.420 nan 0.000 0.228 248 P C 0.929 178.203 177.300 -0.042 0.000 1.151 248 P CA 1.367 64.426 63.100 -0.068 0.000 0.770 248 P CB -0.197 31.479 31.700 -0.041 0.000 0.786 249 T N -6.638 107.925 114.554 0.015 0.000 3.091 249 T HA 0.287 4.637 4.350 -0.000 0.000 0.277 249 T C -0.209 174.555 174.700 0.106 0.000 0.996 249 T CA -0.318 61.813 62.100 0.052 0.000 0.897 249 T CB -0.528 68.388 68.868 0.080 0.000 1.109 249 T HN -0.115 nan 8.240 nan 0.000 0.534 250 F N 1.630 121.523 119.950 -0.095 0.000 2.562 250 F HA 0.654 5.181 4.527 -0.000 0.000 0.319 250 F C -1.474 174.201 175.800 -0.207 0.000 1.154 250 F CA -1.064 56.876 58.000 -0.100 0.000 0.931 250 F CB 1.932 40.886 39.000 -0.075 0.000 1.198 250 F HN -0.124 nan 8.300 nan 0.000 0.444 251 V N 5.151 124.677 119.914 -0.648 0.000 2.495 251 V HA 0.292 4.412 4.120 -0.000 0.000 0.298 251 V C -0.369 175.166 176.094 -0.930 0.000 1.031 251 V CA -0.839 61.001 62.300 -0.767 0.000 0.871 251 V CB 1.727 32.897 31.823 -1.088 0.000 0.988 251 V HN 0.709 nan 8.190 nan 0.000 0.432 252 E N 4.245 124.154 120.200 -0.485 0.000 2.001 252 E HA 0.170 4.519 4.350 -0.000 0.000 0.279 252 E C -1.152 175.242 176.600 -0.342 0.000 1.045 252 E CA -0.552 55.719 56.400 -0.215 0.000 0.833 252 E CB 0.448 30.189 29.700 0.070 0.000 1.077 252 E HN 0.631 nan 8.360 nan 0.000 0.397 253 W N 2.670 123.853 121.300 -0.196 0.000 2.216 253 W HA 0.107 4.767 4.660 -0.000 0.000 0.326 253 W C 0.742 177.253 176.519 -0.012 0.000 1.319 253 W CA -0.450 56.744 57.345 -0.251 0.000 1.213 253 W CB 0.832 29.883 29.460 -0.682 0.000 1.171 253 W HN 0.308 nan 8.180 nan 0.000 0.557 254 S N 1.607 117.485 115.700 0.296 0.000 2.624 254 S HA 0.623 5.093 4.470 -0.000 0.000 0.263 254 S C 0.124 175.154 174.600 0.718 0.000 1.287 254 S CA -0.484 57.975 58.200 0.431 0.000 0.990 254 S CB 1.126 64.583 63.200 0.428 0.000 0.950 254 S HN 0.521 nan 8.310 nan 0.000 0.561 255 S N -0.679 115.410 115.700 0.649 0.000 2.683 255 S HA 0.649 5.119 4.470 -0.000 0.000 0.269 255 S C 0.699 175.520 174.600 0.368 0.000 1.165 255 S CA -0.338 58.189 58.200 0.544 0.000 0.840 255 S CB 0.464 63.903 63.200 0.397 0.000 1.169 255 S HN 0.759 nan 8.310 nan 0.000 0.490 256 A N 1.783 124.713 122.820 0.182 0.000 1.903 256 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 256 A C 2.034 179.677 177.584 0.099 0.000 1.191 256 A CA 2.342 54.436 52.037 0.094 0.000 0.638 256 A CB -1.641 17.383 19.000 0.040 0.000 0.823 256 A HN 0.896 nan 8.150 nan 0.000 0.451 257 N N -0.619 118.147 118.700 0.110 0.000 2.137 257 N HA -0.169 4.571 4.740 -0.000 0.000 0.190 257 N C 1.557 177.099 175.510 0.053 0.000 1.017 257 N CA 2.124 55.211 53.050 0.062 0.000 0.859 257 N CB -0.303 38.231 38.487 0.079 0.000 1.002 257 N HN 0.489 nan 8.380 nan 0.000 0.428 258 T N 0.323 114.959 114.554 0.136 0.000 2.788 258 T HA -0.062 4.288 4.350 -0.000 0.000 0.268 258 T C 2.026 176.767 174.700 0.068 0.000 1.044 258 T CA 1.162 63.345 62.100 0.140 0.000 1.139 258 T CB -0.129 68.899 68.868 0.266 0.000 0.867 258 T HN 0.074 nan 8.240 nan 0.000 0.454 259 V N -0.741 119.197 119.914 0.040 0.000 2.446 259 V HA 0.252 4.372 4.120 -0.000 0.000 0.244 259 V C 0.393 176.452 176.094 -0.058 0.000 1.039 259 V CA 0.792 63.039 62.300 -0.088 0.000 1.045 259 V CB -0.249 31.475 31.823 -0.165 0.000 0.681 259 V HN 0.469 nan 8.190 nan 0.000 0.459 260 F N 0.995 120.826 119.950 -0.197 0.000 2.604 260 F HA 0.396 4.923 4.527 -0.000 0.000 0.316 260 F C 0.118 175.803 175.800 -0.192 0.000 1.136 260 F CA -1.445 56.406 58.000 -0.248 0.000 0.989 260 F CB 1.552 40.354 39.000 -0.330 0.000 1.258 260 F HN 0.141 nan 8.300 nan 0.000 0.451 261 D N 4.755 124.683 120.400 -0.787 0.000 2.349 261 D HA 0.003 4.643 4.640 -0.000 0.000 0.224 261 D C 1.170 177.203 176.300 -0.444 0.000 1.029 261 D CA 0.874 54.585 54.000 -0.480 0.000 0.879 261 D CB -0.025 40.540 40.800 -0.390 0.000 0.906 261 D HN 0.692 nan 8.370 nan 0.000 0.528 262 L N -1.826 118.995 121.223 -0.670 0.000 4.884 262 L HA -0.242 4.098 4.340 -0.000 0.000 0.430 262 L C -0.161 176.692 176.870 -0.028 0.000 1.087 262 L CA 0.534 55.269 54.840 -0.175 0.000 1.033 262 L CB -1.323 40.768 42.059 0.053 0.000 2.030 262 L HN 0.212 nan 8.230 nan 0.000 0.762 263 Q N 1.038 120.711 119.800 -0.212 0.000 2.332 263 Q HA 0.214 4.554 4.340 -0.000 0.000 0.263 263 Q C 0.383 176.442 176.000 0.097 0.000 0.979 263 Q CA 0.010 55.772 55.803 -0.068 0.000 0.885 263 Q CB 0.597 29.256 28.738 -0.132 0.000 1.218 263 Q HN 0.147 nan 8.270 nan 0.000 0.405 264 N N 2.002 120.767 118.700 0.109 0.000 2.479 264 N HA 0.128 4.868 4.740 -0.000 0.000 0.257 264 N C -0.221 175.359 175.510 0.117 0.000 1.232 264 N CA 0.316 53.449 53.050 0.138 0.000 0.920 264 N CB 0.644 39.115 38.487 -0.027 0.000 1.105 264 N HN 0.281 nan 8.380 nan 0.000 0.444 265 R N 0.899 121.496 120.500 0.162 0.000 2.837 265 R HA 0.495 4.835 4.340 -0.000 0.000 0.271 265 R C -2.561 173.802 176.300 0.105 0.000 0.993 265 R CA -1.651 54.525 56.100 0.127 0.000 0.931 265 R CB 1.445 31.841 30.300 0.161 0.000 1.206 265 R HN 0.332 nan 8.270 nan 0.000 0.474 266 P HA 0.057 nan 4.420 nan 0.000 0.268 266 P C -1.250 176.102 177.300 0.087 0.000 1.205 266 P CA -0.084 63.104 63.100 0.146 0.000 0.771 266 P CB 0.533 32.369 31.700 0.227 0.000 0.858 267 N N -0.785 117.952 118.700 0.062 0.000 2.902 267 N HA 0.280 5.020 4.740 -0.000 0.000 0.268 267 N C 0.537 176.059 175.510 0.020 0.000 1.450 267 N CA -0.788 52.280 53.050 0.030 0.000 0.819 267 N CB -0.479 38.013 38.487 0.008 0.000 1.540 267 N HN 0.017 nan 8.380 nan 0.000 0.545 268 T N -0.632 113.925 114.554 0.005 0.000 2.699 268 T HA -0.131 4.218 4.350 -0.000 0.000 0.268 268 T C 0.332 175.030 174.700 -0.004 0.000 1.036 268 T CA 1.793 63.892 62.100 -0.001 0.000 1.147 268 T CB -0.476 68.388 68.868 -0.007 0.000 0.862 268 T HN 0.538 nan 8.240 nan 0.000 0.446 269 D N 0.889 121.282 120.400 -0.012 0.000 2.317 269 D HA 0.202 4.842 4.640 -0.000 0.000 0.211 269 D C 0.850 177.145 176.300 -0.009 0.000 0.966 269 D CA 0.440 54.429 54.000 -0.018 0.000 0.876 269 D CB 0.171 40.949 40.800 -0.037 0.000 0.927 269 D HN 0.413 nan 8.370 nan 0.000 0.519 270 A N 1.214 124.038 122.820 0.007 0.000 3.453 270 A HA 0.287 4.607 4.320 -0.000 0.000 0.262 270 A C -1.984 175.641 177.584 0.069 0.000 1.026 270 A CA -0.750 51.306 52.037 0.031 0.000 0.938 270 A CB 0.860 19.874 19.000 0.024 0.000 1.246 270 A HN -0.158 nan 8.150 nan 0.000 0.546 271 P HA -0.080 nan 4.420 nan 0.000 0.226 271 P C 0.572 177.956 177.300 0.141 0.000 1.153 271 P CA 1.088 64.232 63.100 0.074 0.000 0.777 271 P CB 0.455 32.166 31.700 0.018 0.000 0.794 272 E N -0.273 120.023 120.200 0.161 0.000 2.481 272 E HA 0.104 4.454 4.350 -0.000 0.000 0.198 272 E C 0.227 177.063 176.600 0.394 0.000 1.027 272 E CA 0.027 56.602 56.400 0.292 0.000 0.900 272 E CB 0.503 30.282 29.700 0.132 0.000 0.993 272 E HN 0.488 nan 8.360 nan 0.000 0.482 273 E N 0.906 121.254 120.200 0.247 0.000 2.280 273 E HA 0.380 4.730 4.350 -0.000 0.000 0.264 273 E C -0.208 176.452 176.600 0.100 0.000 1.064 273 E CA -0.328 56.165 56.400 0.156 0.000 0.900 273 E CB 1.234 31.015 29.700 0.135 0.000 1.123 273 E HN -0.145 nan 8.360 nan 0.000 0.418 274 R N 1.782 122.307 120.500 0.043 0.000 2.500 274 R HA 0.397 4.737 4.340 -0.000 0.000 0.299 274 R C -1.652 174.736 176.300 0.148 0.000 1.038 274 R CA -0.521 55.571 56.100 -0.012 0.000 0.903 274 R CB 0.940 31.104 30.300 -0.227 0.000 1.177 274 R HN 0.395 nan 8.270 nan 0.000 0.455 275 F N 2.210 122.153 119.950 -0.012 0.000 2.604 275 F HA 0.447 4.974 4.527 -0.000 0.000 0.316 275 F C -1.670 174.075 175.800 -0.091 0.000 1.136 275 F CA -0.631 57.358 58.000 -0.019 0.000 0.989 275 F CB 2.037 41.098 39.000 0.102 0.000 1.258 275 F HN 0.381 nan 8.300 nan 0.000 0.451 276 N N 4.632 122.716 118.700 -1.027 0.000 2.295 276 N HA 0.588 5.328 4.740 -0.000 0.000 0.293 276 N C -2.042 172.477 175.510 -1.651 0.000 1.040 276 N CA -0.650 51.733 53.050 -1.112 0.000 0.840 276 N CB 2.389 40.387 38.487 -0.816 0.000 1.468 276 N HN 0.584 nan 8.380 nan 0.000 0.478 277 L N 2.517 122.980 121.223 -1.267 0.000 2.282 277 L HA 0.642 4.982 4.340 -0.000 0.000 0.288 277 L C -1.659 174.665 176.870 -0.911 0.000 1.033 277 L CA -0.234 54.088 54.840 -0.864 0.000 0.807 277 L CB 0.153 42.066 42.059 -0.243 0.000 1.209 277 L HN 0.460 nan 8.230 nan 0.000 0.423 278 F N 6.525 126.225 119.950 -0.417 0.000 2.434 278 F HA 0.545 5.072 4.527 -0.000 0.000 0.367 278 F C -2.140 173.608 175.800 -0.086 0.000 1.093 278 F CA -2.049 55.803 58.000 -0.246 0.000 1.085 278 F CB 0.766 39.577 39.000 -0.316 0.000 1.322 278 F HN 0.422 nan 8.300 nan 0.000 0.452 279 P HA 0.322 nan 4.420 nan 0.000 0.276 279 P C -0.114 177.247 177.300 0.101 0.000 1.261 279 P CA -0.306 62.839 63.100 0.075 0.000 0.800 279 P CB 0.991 32.714 31.700 0.037 0.000 1.066 280 A N -1.142 121.722 122.820 0.073 0.000 2.687 280 A HA -0.085 4.235 4.320 -0.000 0.000 0.299 280 A C -0.111 177.508 177.584 0.058 0.000 1.497 280 A CA 0.732 52.805 52.037 0.060 0.000 0.751 280 A CB -2.388 16.645 19.000 0.055 0.000 1.048 280 A HN 0.251 nan 8.150 nan 0.000 0.464 281 V N -0.366 119.596 119.914 0.081 0.000 2.482 281 V HA 0.673 4.793 4.120 -0.000 0.000 0.295 281 V C 0.534 176.639 176.094 0.019 0.000 1.026 281 V CA -0.350 61.993 62.300 0.072 0.000 0.856 281 V CB 1.667 33.620 31.823 0.216 0.000 1.001 281 V HN 1.518 nan 8.190 nan 0.000 0.424 282 A N 3.997 126.805 122.820 -0.020 0.000 2.347 282 A HA 0.443 4.763 4.320 -0.000 0.000 0.287 282 A C 0.151 177.720 177.584 -0.025 0.000 1.199 282 A CA -0.167 51.850 52.037 -0.034 0.000 0.851 282 A CB -0.124 18.899 19.000 0.039 0.000 1.118 282 A HN 0.883 nan 8.150 nan 0.000 0.525 283 C N 3.163 122.423 119.300 -0.066 0.000 2.464 283 C HA 0.262 4.722 4.460 -0.000 0.000 0.370 283 C C 1.424 176.394 174.990 -0.033 0.000 1.267 283 C CA -0.229 58.739 59.018 -0.083 0.000 1.781 283 C CB -0.795 26.887 27.740 -0.096 0.000 2.431 283 C HN 1.003 nan 8.230 nan 0.000 0.556 284 E N 1.429 121.643 120.200 0.024 0.000 2.206 284 E HA 0.077 4.427 4.350 -0.000 0.000 0.195 284 E C 0.429 177.027 176.600 -0.004 0.000 0.935 284 E CA 0.443 56.866 56.400 0.037 0.000 0.875 284 E CB 0.398 30.170 29.700 0.119 0.000 0.841 284 E HN 0.782 nan 8.360 nan 0.000 0.477 285 R N -0.208 120.302 120.500 0.017 0.000 2.709 285 R HA 0.387 4.727 4.340 -0.000 0.000 0.270 285 R C -0.897 175.395 176.300 -0.014 0.000 1.038 285 R CA -0.822 55.269 56.100 -0.016 0.000 0.872 285 R CB 0.903 31.179 30.300 -0.039 0.000 1.259 285 R HN -0.077 nan 8.270 nan 0.000 0.473 286 V N -0.563 119.325 119.914 -0.043 0.000 2.539 286 V HA 0.667 4.787 4.120 -0.000 0.000 0.292 286 V C 0.021 176.074 176.094 -0.068 0.000 1.045 286 V CA -0.827 61.414 62.300 -0.097 0.000 0.945 286 V CB 1.650 33.371 31.823 -0.170 0.000 0.993 286 V HN 0.505 nan 8.190 nan 0.000 0.464 287 V N 5.361 125.220 119.914 -0.092 0.000 2.394 287 V HA 0.496 4.616 4.120 -0.000 0.000 0.282 287 V C 0.525 176.597 176.094 -0.036 0.000 1.031 287 V CA -0.503 61.766 62.300 -0.052 0.000 0.881 287 V CB 1.117 32.923 31.823 -0.028 0.000 0.982 287 V HN 0.954 nan 8.190 nan 0.000 0.451 288 R N 3.530 124.030 120.500 -0.000 0.000 2.457 288 R HA 0.365 4.705 4.340 -0.000 0.000 0.284 288 R C 0.208 176.540 176.300 0.053 0.000 1.024 288 R CA -0.668 55.489 56.100 0.096 0.000 1.025 288 R CB 0.817 31.163 30.300 0.076 0.000 1.063 288 R HN 0.868 nan 8.270 nan 0.000 0.493 289 N N 1.251 119.992 118.700 0.068 0.000 2.317 289 N HA 0.012 4.752 4.740 -0.000 0.000 0.245 289 N C 0.548 176.051 175.510 -0.011 0.000 1.294 289 N CA 0.060 53.120 53.050 0.017 0.000 0.924 289 N CB 0.343 38.834 38.487 0.007 0.000 1.186 289 N HN 0.563 nan 8.380 nan 0.000 0.495 290 A N -0.311 122.496 122.820 -0.021 0.000 1.972 290 A HA -0.056 4.264 4.320 -0.000 0.000 0.219 290 A C 1.984 179.539 177.584 -0.048 0.000 1.169 290 A CA 1.147 53.166 52.037 -0.031 0.000 0.635 290 A CB -0.732 18.253 19.000 -0.024 0.000 0.810 290 A HN 0.527 nan 8.150 nan 0.000 0.446 291 L N -0.357 120.828 121.223 -0.064 0.000 2.552 291 L HA 0.087 4.427 4.340 -0.000 0.000 0.227 291 L C 0.180 176.953 176.870 -0.162 0.000 1.146 291 L CA 0.158 54.942 54.840 -0.094 0.000 0.858 291 L CB -0.980 41.026 42.059 -0.089 0.000 0.969 291 L HN 0.339 nan 8.230 nan 0.000 0.451 292 N N 0.040 118.631 118.700 -0.182 0.000 2.714 292 N HA -0.201 4.539 4.740 -0.000 0.000 0.253 292 N C 0.875 175.803 175.510 -0.972 0.000 1.024 292 N CA 1.015 53.853 53.050 -0.354 0.000 0.726 292 N CB -1.096 37.319 38.487 -0.119 0.000 0.908 292 N HN 0.633 nan 8.380 nan 0.000 0.542 293 S N -2.164 113.087 115.700 -0.748 0.000 2.649 293 S HA 0.254 4.724 4.470 -0.000 0.000 0.246 293 S C 0.271 174.632 174.600 -0.398 0.000 1.057 293 S CA -0.247 57.567 58.200 -0.643 0.000 1.051 293 S CB 1.590 64.628 63.200 -0.270 0.000 1.018 293 S HN 0.390 nan 8.310 nan 0.000 0.569 294 E N 0.337 120.435 120.200 -0.171 0.000 2.375 294 E HA 0.443 4.793 4.350 -0.000 0.000 0.280 294 E C -1.695 175.080 176.600 0.292 0.000 0.972 294 E CA -0.833 55.665 56.400 0.164 0.000 0.782 294 E CB 1.359 31.121 29.700 0.103 0.000 1.229 294 E HN 0.083 nan 8.360 nan 0.000 0.439 295 I N 3.338 124.043 120.570 0.226 0.000 2.396 295 I HA 0.149 4.319 4.170 -0.000 0.000 0.292 295 I C 0.889 176.935 176.117 -0.119 0.000 0.999 295 I CA 0.074 61.336 61.300 -0.064 0.000 1.310 295 I CB 1.308 39.042 38.000 -0.443 0.000 1.404 295 I HN 0.696 nan 8.210 nan 0.000 0.496 296 E N 2.893 123.027 120.200 -0.110 0.000 2.413 296 E HA 0.100 4.450 4.350 -0.000 0.000 0.203 296 E C 0.231 176.867 176.600 0.059 0.000 0.957 296 E CA 0.333 56.745 56.400 0.021 0.000 0.950 296 E CB 0.692 30.414 29.700 0.036 0.000 0.957 296 E HN 0.718 nan 8.360 nan 0.000 0.497 297 S N -0.361 115.299 115.700 -0.065 0.000 2.615 297 S HA 0.486 4.956 4.470 -0.000 0.000 0.268 297 S C -1.653 172.941 174.600 -0.009 0.000 1.146 297 S CA -1.043 57.209 58.200 0.086 0.000 0.818 297 S CB 1.246 64.507 63.200 0.102 0.000 1.111 297 S HN 0.008 nan 8.310 nan 0.000 0.465 298 L N 1.949 123.257 121.223 0.141 0.000 2.325 298 L HA 0.646 4.986 4.340 -0.000 0.000 0.281 298 L C -0.733 176.137 176.870 -0.001 0.000 1.004 298 L CA -0.180 54.694 54.840 0.057 0.000 0.823 298 L CB 1.213 43.327 42.059 0.093 0.000 1.236 298 L HN 1.009 nan 8.230 nan 0.000 0.415 299 H N 5.266 124.298 119.070 -0.063 0.000 2.620 299 H HA 0.622 5.178 4.556 -0.000 0.000 0.313 299 H C -0.448 174.826 175.328 -0.090 0.000 1.075 299 H CA -0.145 55.867 56.048 -0.060 0.000 1.397 299 H CB 0.705 30.435 29.762 -0.053 0.000 1.446 299 H HN 0.663 nan 8.280 nan 0.000 0.493 300 I N 1.659 121.925 120.570 -0.506 0.000 2.892 300 I HA 0.427 4.597 4.170 -0.000 0.000 0.306 300 I C -1.254 174.766 176.117 -0.162 0.000 1.078 300 I CA -0.989 60.143 61.300 -0.280 0.000 1.032 300 I CB 2.558 40.316 38.000 -0.403 0.000 1.229 300 I HN 0.661 nan 8.210 nan 0.000 0.435 301 H N 3.222 122.232 119.070 -0.100 0.000 2.906 301 H HA 0.227 4.783 4.556 -0.000 0.000 0.324 301 H C -1.597 173.749 175.328 0.031 0.000 0.973 301 H CA -0.657 55.375 56.048 -0.027 0.000 1.321 301 H CB 1.569 31.352 29.762 0.036 0.000 1.535 301 H HN 0.795 nan 8.280 nan 0.000 0.518 302 D N 5.675 126.048 120.400 -0.046 0.000 2.339 302 D HA 0.008 4.648 4.640 -0.000 0.000 0.256 302 D C 1.161 177.289 176.300 -0.288 0.000 1.214 302 D CA -0.120 53.842 54.000 -0.063 0.000 0.877 302 D CB 0.992 41.874 40.800 0.138 0.000 1.111 302 D HN 0.676 nan 8.370 nan 0.000 0.478 303 L N 4.149 125.223 121.223 -0.249 0.000 2.291 303 L HA -0.124 4.216 4.340 -0.000 0.000 0.214 303 L C 1.876 178.693 176.870 -0.088 0.000 1.120 303 L CA 0.273 54.975 54.840 -0.229 0.000 0.799 303 L CB -0.082 41.935 42.059 -0.069 0.000 0.925 303 L HN 0.527 nan 8.230 nan 0.000 0.446 304 I N -0.695 119.857 120.570 -0.030 0.000 2.385 304 I HA -0.132 4.038 4.170 -0.000 0.000 0.244 304 I C 2.769 178.897 176.117 0.019 0.000 1.089 304 I CA 1.583 62.888 61.300 0.010 0.000 1.410 304 I CB -1.232 36.787 38.000 0.033 0.000 1.117 304 I HN 0.261 nan 8.210 nan 0.000 0.429 305 S N 0.661 116.382 115.700 0.034 0.000 2.414 305 S HA 0.053 4.523 4.470 -0.000 0.000 0.227 305 S C 1.869 176.497 174.600 0.048 0.000 1.022 305 S CA 1.037 59.268 58.200 0.053 0.000 0.958 305 S CB -0.127 63.129 63.200 0.094 0.000 0.797 305 S HN 0.617 nan 8.310 nan 0.000 0.493 306 G N 0.907 109.731 108.800 0.039 0.000 2.176 306 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.253 306 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.253 306 G C -0.437 174.562 174.900 0.166 0.000 0.979 306 G CA 0.151 45.334 45.100 0.138 0.000 0.641 306 G HN 0.576 nan 8.290 nan 0.000 0.530 307 D N 0.602 121.028 120.400 0.044 0.000 2.372 307 D HA 0.510 5.150 4.640 -0.000 0.000 0.243 307 D C 1.021 177.171 176.300 -0.250 0.000 1.121 307 D CA 0.214 54.109 54.000 -0.174 0.000 0.898 307 D CB 0.547 41.176 40.800 -0.284 0.000 1.202 307 D HN 0.444 nan 8.370 nan 0.000 0.428 308 R N 1.198 121.417 120.500 -0.467 0.000 2.589 308 R HA 0.641 4.981 4.340 -0.000 0.000 0.293 308 R C -0.698 175.106 176.300 -0.826 0.000 0.963 308 R CA -0.673 55.160 56.100 -0.445 0.000 0.905 308 R CB 1.255 31.473 30.300 -0.136 0.000 1.144 308 R HN 0.283 nan 8.270 nan 0.000 0.459 309 F N -0.154 119.599 119.950 -0.328 0.000 2.613 309 F HA 0.333 4.860 4.527 -0.000 0.000 0.314 309 F C 0.047 175.642 175.800 -0.340 0.000 1.075 309 F CA -1.024 56.825 58.000 -0.252 0.000 0.945 309 F CB 1.854 40.739 39.000 -0.191 0.000 1.310 309 F HN 0.160 nan 8.300 nan 0.000 0.467 310 E N 2.548 122.780 120.200 0.054 0.000 2.133 310 E HA 0.398 4.748 4.350 -0.000 0.000 0.274 310 E C -0.895 175.736 176.600 0.052 0.000 0.930 310 E CA -0.398 56.019 56.400 0.029 0.000 0.770 310 E CB 2.002 31.749 29.700 0.078 0.000 1.104 310 E HN 0.304 nan 8.360 nan 0.000 0.403 311 I N 2.488 123.075 120.570 0.028 0.000 2.359 311 I HA 0.280 4.450 4.170 -0.000 0.000 0.294 311 I C 0.338 176.559 176.117 0.173 0.000 0.987 311 I CA -0.785 60.562 61.300 0.077 0.000 1.225 311 I CB 1.289 39.290 38.000 0.001 0.000 1.366 311 I HN 0.247 nan 8.210 nan 0.000 0.466 312 K N 4.691 125.194 120.400 0.171 0.000 2.182 312 K HA 0.796 5.116 4.320 -0.000 0.000 0.262 312 K C -1.007 175.659 176.600 0.111 0.000 0.957 312 K CA -0.304 56.099 56.287 0.193 0.000 0.842 312 K CB 1.731 34.309 32.500 0.130 0.000 1.099 312 K HN 0.811 nan 8.250 nan 0.000 0.438 313 A N 2.835 125.635 122.820 -0.034 0.000 2.566 313 A HA 0.370 4.690 4.320 -0.000 0.000 0.292 313 A C -0.428 177.045 177.584 -0.186 0.000 1.112 313 A CA -0.706 51.182 52.037 -0.247 0.000 0.707 313 A CB 1.102 19.737 19.000 -0.608 0.000 1.302 313 A HN 0.803 nan 8.150 nan 0.000 0.409 314 D N -0.495 119.839 120.400 -0.111 0.000 2.149 314 D HA 0.075 4.715 4.640 -0.000 0.000 0.201 314 D C 0.324 176.552 176.300 -0.120 0.000 0.972 314 D CA 1.762 55.766 54.000 0.006 0.000 0.835 314 D CB 0.121 40.974 40.800 0.087 0.000 0.966 314 D HN 0.213 nan 8.370 nan 0.000 0.476 315 V N 0.567 120.247 119.914 -0.390 0.000 2.638 315 V HA 0.280 4.400 4.120 -0.000 0.000 0.306 315 V C -1.292 174.546 176.094 -0.427 0.000 1.052 315 V CA -0.880 61.189 62.300 -0.385 0.000 0.885 315 V CB 1.844 33.297 31.823 -0.616 0.000 0.999 315 V HN -0.066 nan 8.190 nan 0.000 0.424 316 Y N 2.932 123.217 120.300 -0.026 0.000 2.341 316 Y HA 0.717 5.267 4.550 -0.000 0.000 0.338 316 Y C -0.127 175.739 175.900 -0.057 0.000 0.965 316 Y CA -0.985 57.088 58.100 -0.045 0.000 1.108 316 Y CB 2.128 40.565 38.460 -0.039 0.000 1.180 316 Y HN 0.343 nan 8.280 nan 0.000 0.458 317 V N 5.402 125.279 119.914 -0.061 0.000 2.487 317 V HA 0.421 4.541 4.120 -0.000 0.000 0.298 317 V C -0.539 175.426 176.094 -0.216 0.000 1.028 317 V CA -0.930 61.225 62.300 -0.242 0.000 0.860 317 V CB 1.769 33.217 31.823 -0.625 0.000 0.991 317 V HN 0.589 nan 8.190 nan 0.000 0.427 318 L N 5.074 126.169 121.223 -0.214 0.000 2.276 318 L HA 0.572 4.912 4.340 -0.000 0.000 0.286 318 L C 0.304 177.077 176.870 -0.162 0.000 1.024 318 L CA -0.217 54.520 54.840 -0.172 0.000 0.826 318 L CB 1.609 43.548 42.059 -0.200 0.000 1.211 318 L HN 0.806 nan 8.230 nan 0.000 0.422 319 T N -1.653 112.839 114.554 -0.102 0.000 3.624 319 T HA 0.363 4.713 4.350 -0.000 0.000 0.244 319 T C 0.667 175.374 174.700 0.012 0.000 1.063 319 T CA -0.128 61.951 62.100 -0.035 0.000 1.252 319 T CB 1.020 69.869 68.868 -0.032 0.000 1.021 319 T HN 0.532 nan 8.240 nan 0.000 0.590 320 A N 0.805 123.640 122.820 0.026 0.000 2.307 320 A HA 0.766 5.086 4.320 -0.000 0.000 0.218 320 A C 1.381 179.040 177.584 0.126 0.000 1.228 320 A CA 0.087 52.162 52.037 0.063 0.000 0.857 320 A CB -0.749 18.287 19.000 0.060 0.000 0.897 320 A HN 1.700 nan 8.150 nan 0.000 0.495 321 G N -2.556 106.317 108.800 0.121 0.000 2.662 321 G HA2 0.266 4.226 3.960 -0.000 0.000 0.686 321 G HA3 0.266 4.226 3.960 -0.000 0.000 0.686 321 G C 0.746 175.747 174.900 0.167 0.000 1.271 321 G CA -0.298 44.884 45.100 0.136 0.000 0.816 321 G HN 1.276 nan 8.290 nan 0.000 0.608 322 A N -0.360 122.544 122.820 0.141 0.000 1.933 322 A HA 0.185 4.505 4.320 -0.000 0.000 0.218 322 A C 2.643 180.310 177.584 0.139 0.000 1.175 322 A CA 3.254 55.370 52.037 0.132 0.000 0.628 322 A CB -0.354 18.694 19.000 0.081 0.000 0.814 322 A HN 1.596 nan 8.150 nan 0.000 0.444 323 V N -1.151 118.796 119.914 0.055 0.000 2.379 323 V HA -0.174 3.946 4.120 -0.000 0.000 0.243 323 V C 2.180 178.261 176.094 -0.022 0.000 1.035 323 V CA 2.101 64.388 62.300 -0.020 0.000 1.035 323 V CB -0.941 30.749 31.823 -0.222 0.000 0.673 323 V HN 0.737 nan 8.190 nan 0.000 0.457 324 H N -0.493 118.652 119.070 0.126 0.000 2.512 324 H HA 0.023 4.579 4.556 -0.000 0.000 0.279 324 H C 2.236 177.563 175.328 -0.001 0.000 0.999 324 H CA 0.726 56.803 56.048 0.050 0.000 1.283 324 H CB 0.157 29.928 29.762 0.017 0.000 1.421 324 H HN 0.301 nan 8.280 nan 0.000 0.554 325 N N -0.089 118.684 118.700 0.123 0.000 2.069 325 N HA -0.123 4.617 4.740 -0.000 0.000 0.191 325 N C 1.734 177.232 175.510 -0.019 0.000 1.031 325 N CA 1.801 54.857 53.050 0.009 0.000 0.852 325 N CB -0.444 38.039 38.487 -0.007 0.000 1.018 325 N HN 0.304 nan 8.380 nan 0.000 0.423 326 T N 0.693 115.312 114.554 0.108 0.000 2.746 326 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 326 T C 1.845 176.435 174.700 -0.183 0.000 1.039 326 T CA 1.118 63.284 62.100 0.110 0.000 1.142 326 T CB -0.213 68.856 68.868 0.335 0.000 0.866 326 T HN 0.356 nan 8.240 nan 0.000 0.444 327 Q N 0.139 119.728 119.800 -0.352 0.000 2.050 327 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 327 Q C 2.306 178.054 176.000 -0.421 0.000 0.980 327 Q CA 1.144 56.428 55.803 -0.866 0.000 0.840 327 Q CB -0.257 28.261 28.738 -0.367 0.000 0.898 327 Q HN 0.342 nan 8.270 nan 0.000 0.424 328 L N 0.647 121.750 121.223 -0.199 0.000 2.046 328 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 328 L C 2.027 178.819 176.870 -0.130 0.000 1.077 328 L CA 1.591 56.348 54.840 -0.139 0.000 0.747 328 L CB -0.565 41.434 42.059 -0.100 0.000 0.896 328 L HN 0.313 nan 8.230 nan 0.000 0.432 329 L N -2.078 119.052 121.223 -0.155 0.000 2.056 329 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 329 L C 2.406 179.313 176.870 0.062 0.000 1.078 329 L CA 0.892 55.672 54.840 -0.101 0.000 0.749 329 L CB -0.623 41.278 42.059 -0.264 0.000 0.901 329 L HN 0.062 nan 8.230 nan 0.000 0.433 330 V N -0.032 119.846 119.914 -0.061 0.000 2.407 330 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 330 V C 2.119 178.187 176.094 -0.044 0.000 1.055 330 V CA 1.892 64.175 62.300 -0.029 0.000 1.049 330 V CB -0.694 31.066 31.823 -0.105 0.000 0.662 330 V HN 0.481 nan 8.190 nan 0.000 0.455 331 N N 0.115 118.748 118.700 -0.112 0.000 2.453 331 N HA -0.106 4.634 4.740 -0.000 0.000 0.183 331 N C 1.543 177.028 175.510 -0.041 0.000 1.041 331 N CA 1.246 54.249 53.050 -0.078 0.000 0.900 331 N CB -0.045 38.383 38.487 -0.098 0.000 0.961 331 N HN 0.416 nan 8.380 nan 0.000 0.443 332 S N -1.662 114.042 115.700 0.007 0.000 2.540 332 S HA 0.336 4.806 4.470 -0.000 0.000 0.218 332 S C 1.046 175.625 174.600 -0.035 0.000 0.977 332 S CA 0.216 58.429 58.200 0.021 0.000 0.918 332 S CB 0.674 63.940 63.200 0.110 0.000 0.806 332 S HN 0.516 nan 8.310 nan 0.000 0.496 333 G N 1.188 109.971 108.800 -0.028 0.000 2.141 333 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.231 333 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.231 333 G C -0.084 174.706 174.900 -0.183 0.000 0.984 333 G CA -0.549 44.484 45.100 -0.110 0.000 0.660 333 G HN 0.403 nan 8.290 nan 0.000 0.525 334 F N 0.805 120.726 119.950 -0.049 0.000 2.380 334 F HA 0.547 5.074 4.527 -0.000 0.000 0.325 334 F C 1.630 177.436 175.800 0.011 0.000 1.136 334 F CA 1.051 59.035 58.000 -0.028 0.000 1.171 334 F CB 0.816 39.772 39.000 -0.075 0.000 1.230 334 F HN 0.811 nan 8.300 nan 0.000 0.554 335 G N 1.646 110.580 108.800 0.223 0.000 2.564 335 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.273 335 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.273 335 G C -0.805 174.166 174.900 0.118 0.000 1.242 335 G CA 0.074 45.278 45.100 0.172 0.000 0.951 335 G HN 0.851 nan 8.290 nan 0.000 0.564 336 Q N -1.150 118.725 119.800 0.125 0.000 2.289 336 Q HA 0.632 4.972 4.340 -0.000 0.000 0.270 336 Q C -0.979 175.096 176.000 0.126 0.000 1.038 336 Q CA -0.966 54.889 55.803 0.087 0.000 0.812 336 Q CB 1.802 30.571 28.738 0.052 0.000 1.300 336 Q HN 0.888 nan 8.270 nan 0.000 0.427 337 L N 3.369 124.655 121.223 0.105 0.000 2.395 337 L HA 0.787 5.127 4.340 -0.000 0.000 0.269 337 L C 0.341 177.279 176.870 0.112 0.000 1.133 337 L CA 1.776 56.704 54.840 0.147 0.000 0.812 337 L CB 1.113 43.237 42.059 0.108 0.000 1.125 337 L HN 0.854 nan 8.230 nan 0.000 0.452 338 G N 3.302 112.216 108.800 0.191 0.000 2.728 338 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.294 338 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.294 338 G C -0.536 174.202 174.900 -0.270 0.000 1.342 338 G CA -0.240 44.915 45.100 0.090 0.000 0.866 338 G HN 0.907 nan 8.290 nan 0.000 0.534 339 R N 0.727 120.826 120.500 -0.668 0.000 2.538 339 R HA 0.341 4.681 4.340 -0.000 0.000 0.282 339 R C -1.899 173.939 176.300 -0.769 0.000 1.009 339 R CA -0.534 54.765 56.100 -1.335 0.000 1.063 339 R CB -0.041 29.785 30.300 -0.789 0.000 0.945 339 R HN 0.345 nan 8.270 nan 0.000 0.414 340 P HA -0.100 nan 4.420 nan 0.000 0.262 340 P C -1.284 175.854 177.300 -0.270 0.000 1.182 340 P CA 0.565 63.418 63.100 -0.412 0.000 0.761 340 P CB 0.354 31.842 31.700 -0.354 0.000 0.795 341 N N 3.935 122.533 118.700 -0.169 0.000 2.549 341 N HA 0.187 4.927 4.740 -0.000 0.000 0.281 341 N C -1.967 173.499 175.510 -0.073 0.000 1.084 341 N CA -1.908 51.072 53.050 -0.117 0.000 0.862 341 N CB 1.552 39.976 38.487 -0.105 0.000 1.333 341 N HN 0.103 nan 8.380 nan 0.000 0.523 342 P HA -0.029 nan 4.420 nan 0.000 0.219 342 P C 1.115 178.399 177.300 -0.028 0.000 1.150 342 P CA 0.657 63.734 63.100 -0.038 0.000 0.814 342 P CB 0.131 31.810 31.700 -0.035 0.000 0.787 343 A N -0.436 122.365 122.820 -0.031 0.000 2.245 343 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 343 A C 1.375 178.947 177.584 -0.021 0.000 1.171 343 A CA 1.096 53.119 52.037 -0.024 0.000 0.688 343 A CB -1.078 17.907 19.000 -0.026 0.000 0.781 343 A HN 0.241 nan 8.150 nan 0.000 0.479 344 N N -0.374 118.312 118.700 -0.023 0.000 2.716 344 N HA 0.197 4.937 4.740 -0.000 0.000 0.245 344 N C -3.436 172.066 175.510 -0.013 0.000 1.495 344 N CA -1.021 52.017 53.050 -0.020 0.000 0.759 344 N CB 1.123 39.594 38.487 -0.027 0.000 1.261 344 N HN 0.014 nan 8.380 nan 0.000 0.515 345 P HA 0.353 nan 4.420 nan 0.000 0.279 345 P C -2.540 174.767 177.300 0.013 0.000 1.239 345 P CA -0.878 62.225 63.100 0.006 0.000 0.789 345 P CB 0.146 31.852 31.700 0.010 0.000 0.933 346 P HA 0.129 nan 4.420 nan 0.000 0.274 346 P C 0.755 178.074 177.300 0.032 0.000 1.231 346 P CA -0.135 62.984 63.100 0.032 0.000 0.790 346 P CB 1.145 32.879 31.700 0.057 0.000 0.951 347 E N 0.744 120.955 120.200 0.019 0.000 2.107 347 E HA -0.026 4.324 4.350 -0.000 0.000 0.191 347 E C -0.040 176.582 176.600 0.038 0.000 0.982 347 E CA 0.695 57.103 56.400 0.014 0.000 0.809 347 E CB 0.090 29.783 29.700 -0.011 0.000 0.756 347 E HN 0.391 nan 8.360 nan 0.000 0.459 348 L N 1.088 122.344 121.223 0.054 0.000 2.385 348 L HA 0.304 4.644 4.340 -0.000 0.000 0.273 348 L C -0.225 176.763 176.870 0.196 0.000 0.990 348 L CA -0.861 54.051 54.840 0.121 0.000 0.821 348 L CB 1.993 44.075 42.059 0.038 0.000 1.279 348 L HN 0.111 nan 8.230 nan 0.000 0.412 349 L N 3.864 125.228 121.223 0.235 0.000 3.823 349 L HA -0.190 4.150 4.340 -0.000 0.000 0.525 349 L C -1.422 175.559 176.870 0.185 0.000 1.247 349 L CA -0.514 54.467 54.840 0.234 0.000 0.776 349 L CB -0.778 41.451 42.059 0.284 0.000 1.443 349 L HN 0.583 nan 8.230 nan 0.000 0.831 350 P HA -0.133 nan 4.420 nan 0.000 0.221 350 P C 1.217 178.612 177.300 0.158 0.000 1.145 350 P CA 1.198 64.374 63.100 0.126 0.000 0.795 350 P CB 0.269 32.026 31.700 0.094 0.000 0.775 351 S N -0.593 115.221 115.700 0.190 0.000 2.593 351 S HA 0.055 4.525 4.470 -0.000 0.000 0.217 351 S C 0.854 175.613 174.600 0.264 0.000 0.966 351 S CA -0.388 57.972 58.200 0.267 0.000 0.914 351 S CB -0.722 62.630 63.200 0.253 0.000 0.776 351 S HN 0.073 nan 8.310 nan 0.000 0.523 352 L N 2.329 123.685 121.223 0.222 0.000 2.499 352 L HA 0.427 4.767 4.340 -0.000 0.000 0.273 352 L C 1.167 178.176 176.870 0.232 0.000 1.195 352 L CA 1.183 56.157 54.840 0.223 0.000 0.882 352 L CB -0.265 41.914 42.059 0.201 0.000 1.133 352 L HN 0.335 nan 8.230 nan 0.000 0.483 353 G N 2.338 111.284 108.800 0.243 0.000 2.179 353 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 353 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 353 G C 0.410 175.429 174.900 0.198 0.000 0.977 353 G CA 0.320 45.561 45.100 0.234 0.000 0.641 353 G HN 0.829 nan 8.290 nan 0.000 0.533 354 S N -1.529 114.295 115.700 0.207 0.000 2.704 354 S HA 0.660 5.130 4.470 -0.000 0.000 0.305 354 S C 0.330 175.070 174.600 0.233 0.000 1.107 354 S CA 0.093 58.358 58.200 0.109 0.000 0.993 354 S CB 0.973 64.165 63.200 -0.013 0.000 1.110 354 S HN 0.931 nan 8.310 nan 0.000 0.534 355 Y N -0.983 119.382 120.300 0.109 0.000 4.272 355 Y HA -0.198 4.352 4.550 -0.000 0.000 0.232 355 Y C 0.458 176.435 175.900 0.128 0.000 1.149 355 Y CA 0.206 58.367 58.100 0.102 0.000 1.961 355 Y CB -2.173 36.343 38.460 0.094 0.000 1.611 355 Y HN 0.618 nan 8.280 nan 0.000 0.682 356 I N -0.131 120.579 120.570 0.234 0.000 2.696 356 I HA 0.542 4.712 4.170 -0.000 0.000 0.284 356 I C 0.644 176.924 176.117 0.272 0.000 1.129 356 I CA 0.382 61.826 61.300 0.239 0.000 1.410 356 I CB 1.406 39.549 38.000 0.237 0.000 1.399 356 I HN 0.195 nan 8.210 nan 0.000 0.579 357 T N 1.728 116.405 114.554 0.205 0.000 2.876 357 T HA 0.693 5.043 4.350 -0.000 0.000 0.289 357 T C -0.696 174.035 174.700 0.052 0.000 1.014 357 T CA -0.668 61.538 62.100 0.176 0.000 0.986 357 T CB 2.081 70.998 68.868 0.082 0.000 1.021 357 T HN 0.830 nan 8.240 nan 0.000 0.458 358 E N 1.151 121.368 120.200 0.027 0.000 2.343 358 E HA 0.357 4.707 4.350 -0.000 0.000 0.278 358 E C -1.162 175.551 176.600 0.190 0.000 0.910 358 E CA -0.536 55.844 56.400 -0.034 0.000 0.757 358 E CB 2.105 31.587 29.700 -0.365 0.000 1.218 358 E HN 0.727 nan 8.360 nan 0.000 0.435 359 Q N 1.038 120.964 119.800 0.209 0.000 2.340 359 Q HA 0.461 4.801 4.340 -0.000 0.000 0.249 359 Q C -0.370 175.837 176.000 0.345 0.000 0.957 359 Q CA -0.296 55.684 55.803 0.296 0.000 0.882 359 Q CB 1.165 30.117 28.738 0.358 0.000 1.235 359 Q HN 0.459 nan 8.270 nan 0.000 0.439 360 S N 1.360 117.195 115.700 0.225 0.000 2.576 360 S HA 0.376 4.846 4.470 -0.000 0.000 0.276 360 S C -0.748 173.906 174.600 0.091 0.000 1.339 360 S CA -0.497 57.709 58.200 0.010 0.000 1.039 360 S CB 0.434 63.538 63.200 -0.160 0.000 0.902 360 S HN 0.395 nan 8.310 nan 0.000 0.516 361 L N 3.957 125.197 121.223 0.029 0.000 2.439 361 L HA 0.680 5.020 4.340 -0.000 0.000 0.270 361 L C -0.849 175.873 176.870 -0.247 0.000 0.972 361 L CA -0.654 54.102 54.840 -0.141 0.000 0.836 361 L CB 1.578 43.548 42.059 -0.149 0.000 1.255 361 L HN 0.474 nan 8.230 nan 0.000 0.404 362 V N 2.080 121.764 119.914 -0.384 0.000 2.667 362 V HA 0.759 4.879 4.120 -0.000 0.000 0.308 362 V C -0.953 174.998 176.094 -0.238 0.000 1.048 362 V CA -0.643 61.356 62.300 -0.502 0.000 0.928 362 V CB 1.646 32.986 31.823 -0.803 0.000 1.004 362 V HN 0.816 nan 8.190 nan 0.000 0.444 363 F N 4.752 124.489 119.950 -0.354 0.000 2.591 363 F HA 0.858 5.385 4.527 -0.000 0.000 0.309 363 F C -0.401 175.267 175.800 -0.219 0.000 1.098 363 F CA -0.209 57.663 58.000 -0.213 0.000 0.937 363 F CB 1.520 40.436 39.000 -0.140 0.000 1.250 363 F HN 1.203 nan 8.300 nan 0.000 0.447 364 C N 2.927 121.551 119.300 -1.127 0.000 3.320 364 C HA 0.792 5.252 4.460 -0.000 0.000 0.335 364 C C -1.707 172.713 174.990 -0.950 0.000 1.430 364 C CA -0.678 57.679 59.018 -1.102 0.000 1.271 364 C CB 1.692 29.055 27.740 -0.627 0.000 1.609 364 C HN 0.970 nan 8.230 nan 0.000 0.457 365 Q N 0.645 120.127 119.800 -0.530 0.000 2.387 365 Q HA 0.762 5.102 4.340 -0.000 0.000 0.273 365 Q C -0.482 175.542 176.000 0.041 0.000 1.089 365 Q CA -0.222 55.493 55.803 -0.146 0.000 0.824 365 Q CB 2.688 31.332 28.738 -0.157 0.000 1.367 365 Q HN 0.940 nan 8.270 nan 0.000 0.443 366 T N -2.507 112.150 114.554 0.173 0.000 2.924 366 T HA 0.696 5.046 4.350 -0.000 0.000 0.291 366 T C -0.506 174.247 174.700 0.089 0.000 1.045 366 T CA -0.725 61.447 62.100 0.119 0.000 1.015 366 T CB 1.237 70.189 68.868 0.139 0.000 1.103 366 T HN 0.259 nan 8.240 nan 0.000 0.496 367 V N 2.764 122.699 119.914 0.034 0.000 2.370 367 V HA 0.408 4.528 4.120 -0.000 0.000 0.283 367 V C 0.329 176.429 176.094 0.011 0.000 1.023 367 V CA -0.915 61.396 62.300 0.017 0.000 0.857 367 V CB 1.134 32.958 31.823 0.002 0.000 0.985 367 V HN 1.021 nan 8.190 nan 0.000 0.443 368 M N 4.782 124.395 119.600 0.021 0.000 2.251 368 M HA 0.131 4.611 4.480 -0.000 0.000 0.343 368 M C 0.863 177.166 176.300 0.005 0.000 1.245 368 M CA 0.667 55.982 55.300 0.026 0.000 1.061 368 M CB 0.691 33.305 32.600 0.023 0.000 1.723 368 M HN 0.927 nan 8.290 nan 0.000 0.449 369 S N 2.496 118.197 115.700 0.001 0.000 2.568 369 S HA 0.064 4.534 4.470 -0.000 0.000 0.282 369 S C 0.987 175.587 174.600 -0.001 0.000 1.338 369 S CA -0.120 58.073 58.200 -0.012 0.000 1.045 369 S CB 0.530 63.718 63.200 -0.019 0.000 0.873 369 S HN 0.809 nan 8.310 nan 0.000 0.516 370 T N 1.963 116.514 114.554 -0.006 0.000 2.720 370 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 370 T C 1.631 176.337 174.700 0.009 0.000 1.037 370 T CA 1.910 64.011 62.100 0.002 0.000 1.144 370 T CB -0.460 68.406 68.868 -0.004 0.000 0.864 370 T HN 0.768 nan 8.240 nan 0.000 0.444 371 E N 0.501 120.703 120.200 0.003 0.000 2.077 371 E HA -0.062 4.288 4.350 -0.000 0.000 0.193 371 E C 2.242 178.858 176.600 0.026 0.000 0.989 371 E CA 0.860 57.265 56.400 0.008 0.000 0.800 371 E CB -0.231 29.467 29.700 -0.003 0.000 0.746 371 E HN 0.438 nan 8.360 nan 0.000 0.452 372 L N 0.676 121.918 121.223 0.031 0.000 2.072 372 L HA -0.155 4.185 4.340 -0.000 0.000 0.205 372 L C 2.403 179.315 176.870 0.070 0.000 1.079 372 L CA 0.406 55.279 54.840 0.056 0.000 0.752 372 L CB -0.214 41.878 42.059 0.055 0.000 0.906 372 L HN 0.177 nan 8.230 nan 0.000 0.436 373 I N 0.027 120.625 120.570 0.046 0.000 2.226 373 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 373 I C 2.098 178.250 176.117 0.057 0.000 1.100 373 I CA 1.535 62.860 61.300 0.042 0.000 1.374 373 I CB -1.081 36.932 38.000 0.022 0.000 1.057 373 I HN 0.285 nan 8.210 nan 0.000 0.413 374 D N 0.631 121.062 120.400 0.051 0.000 2.178 374 D HA -0.125 4.515 4.640 -0.000 0.000 0.201 374 D C 2.356 178.705 176.300 0.082 0.000 0.980 374 D CA 1.537 55.571 54.000 0.056 0.000 0.842 374 D CB -0.067 40.756 40.800 0.038 0.000 0.948 374 D HN 0.373 nan 8.370 nan 0.000 0.472 375 S N -0.076 115.682 115.700 0.097 0.000 2.419 375 S HA -0.109 4.361 4.470 -0.000 0.000 0.233 375 S C 2.144 176.902 174.600 0.263 0.000 1.016 375 S CA 0.655 58.942 58.200 0.146 0.000 0.974 375 S CB -0.488 62.790 63.200 0.130 0.000 0.786 375 S HN 0.075 nan 8.310 nan 0.000 0.492 376 V N 2.756 122.805 119.914 0.224 0.000 2.469 376 V HA -0.158 3.962 4.120 -0.000 0.000 0.251 376 V C 2.080 178.324 176.094 0.250 0.000 1.064 376 V CA 2.128 64.596 62.300 0.279 0.000 1.066 376 V CB -0.823 31.085 31.823 0.142 0.000 0.667 376 V HN 0.827 nan 8.190 nan 0.000 0.461 377 K N 0.144 120.646 120.400 0.169 0.000 2.593 377 K HA 0.208 4.528 4.320 -0.000 0.000 0.208 377 K C 1.490 178.155 176.600 0.109 0.000 1.051 377 K CA 0.635 57.001 56.287 0.132 0.000 1.111 377 K CB 0.253 32.812 32.500 0.099 0.000 0.849 377 K HN 0.379 nan 8.250 nan 0.000 0.479 378 S N 0.576 116.355 115.700 0.130 0.000 2.419 378 S HA -0.157 4.313 4.470 -0.000 0.000 0.233 378 S C 0.964 175.576 174.600 0.021 0.000 1.016 378 S CA 1.185 59.419 58.200 0.056 0.000 0.974 378 S CB -0.229 62.974 63.200 0.004 0.000 0.786 378 S HN 0.307 nan 8.310 nan 0.000 0.492 379 D N 0.721 121.143 120.400 0.037 0.000 2.339 379 D HA 0.237 4.877 4.640 -0.000 0.000 0.217 379 D C 0.119 176.459 176.300 0.067 0.000 1.050 379 D CA 0.249 54.258 54.000 0.015 0.000 0.856 379 D CB 0.020 40.805 40.800 -0.024 0.000 0.922 379 D HN 0.373 nan 8.370 nan 0.000 0.518 380 M N 0.442 120.082 119.600 0.067 0.000 2.249 380 M HA 0.246 4.726 4.480 -0.000 0.000 0.351 380 M C 0.253 176.582 176.300 0.049 0.000 1.180 380 M CA 0.008 55.355 55.300 0.080 0.000 1.127 380 M CB 1.142 33.782 32.600 0.068 0.000 1.546 380 M HN -0.331 nan 8.290 nan 0.000 0.461 381 T N 3.714 118.291 114.554 0.038 0.000 2.779 381 T HA 0.685 5.035 4.350 -0.000 0.000 0.280 381 T C -0.362 174.316 174.700 -0.036 0.000 0.987 381 T CA -0.392 61.710 62.100 0.003 0.000 0.966 381 T CB 0.801 69.667 68.868 -0.004 0.000 0.933 381 T HN 0.316 nan 8.240 nan 0.000 0.442 382 I N 3.142 123.686 120.570 -0.044 0.000 2.406 382 I HA 0.478 4.648 4.170 -0.000 0.000 0.290 382 I C 0.354 176.422 176.117 -0.082 0.000 0.999 382 I CA -0.533 60.703 61.300 -0.107 0.000 1.124 382 I CB 1.595 39.577 38.000 -0.029 0.000 1.289 382 I HN 0.348 nan 8.210 nan 0.000 0.441 383 R N 2.919 123.328 120.500 -0.151 0.000 2.854 383 R HA 0.804 5.144 4.340 -0.000 0.000 0.271 383 R C 0.214 176.513 176.300 -0.001 0.000 0.996 383 R CA -0.393 55.670 56.100 -0.062 0.000 0.961 383 R CB 2.044 32.303 30.300 -0.068 0.000 1.182 383 R HN 0.870 nan 8.270 nan 0.000 0.479 384 G N 0.675 109.520 108.800 0.074 0.000 2.598 384 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.244 384 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.244 384 G C -0.789 174.260 174.900 0.248 0.000 1.302 384 G CA -0.089 45.099 45.100 0.146 0.000 0.903 384 G HN 0.707 nan 8.290 nan 0.000 0.575 385 T N -1.308 113.389 114.554 0.238 0.000 2.916 385 T HA 0.662 5.012 4.350 -0.000 0.000 0.298 385 T C -2.943 171.702 174.700 -0.093 0.000 1.031 385 T CA -1.262 60.904 62.100 0.110 0.000 0.993 385 T CB 2.507 71.395 68.868 0.033 0.000 1.045 385 T HN 0.546 nan 8.240 nan 0.000 0.454 386 P HA 0.130 nan 4.420 nan 0.000 0.263 386 P C 1.344 178.453 177.300 -0.318 0.000 1.162 386 P CA 1.793 64.432 63.100 -0.769 0.000 0.758 386 P CB 0.005 31.371 31.700 -0.556 0.000 0.773 387 G N 1.154 109.804 108.800 -0.249 0.000 2.257 387 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.267 387 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.267 387 G C 0.427 175.306 174.900 -0.036 0.000 0.984 387 G CA 0.627 45.668 45.100 -0.099 0.000 0.626 387 G HN 0.635 nan 8.290 nan 0.000 0.540 388 E N 0.328 120.520 120.200 -0.014 0.000 2.392 388 E HA 0.553 4.903 4.350 -0.000 0.000 0.256 388 E C 1.897 178.539 176.600 0.070 0.000 1.145 388 E CA -0.255 56.167 56.400 0.038 0.000 0.929 388 E CB 0.156 29.892 29.700 0.061 0.000 0.998 388 E HN 0.178 nan 8.360 nan 0.000 0.442 389 L N 0.806 122.061 121.223 0.053 0.000 2.056 389 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 389 L C 1.761 178.667 176.870 0.061 0.000 1.078 389 L CA 1.792 56.660 54.840 0.048 0.000 0.749 389 L CB -0.642 41.435 42.059 0.030 0.000 0.901 389 L HN 0.676 nan 8.230 nan 0.000 0.433 390 T N -4.377 110.217 114.554 0.066 0.000 3.244 390 T HA 0.023 4.373 4.350 -0.000 0.000 0.254 390 T C 0.194 174.944 174.700 0.083 0.000 1.024 390 T CA -0.402 61.730 62.100 0.054 0.000 0.920 390 T CB -0.635 68.253 68.868 0.033 0.000 1.042 390 T HN 0.062 nan 8.240 nan 0.000 0.572 391 Y N 2.690 122.989 120.300 -0.002 0.000 2.650 391 Y HA 0.414 4.964 4.550 -0.000 0.000 0.331 391 Y C 0.212 176.111 175.900 -0.002 0.000 1.165 391 Y CA -0.367 57.732 58.100 -0.002 0.000 1.473 391 Y CB 0.136 38.593 38.460 -0.004 0.000 1.224 391 Y HN 0.271 nan 8.280 nan 0.000 0.533 392 S N 5.099 120.508 115.700 -0.484 0.000 2.547 392 S HA 0.739 5.209 4.470 -0.000 0.000 0.281 392 S C -1.853 172.454 174.600 -0.489 0.000 1.118 392 S CA -0.719 57.256 58.200 -0.375 0.000 0.947 392 S CB 0.912 64.009 63.200 -0.171 0.000 1.053 392 S HN 0.436 nan 8.310 nan 0.000 0.482 393 V N 4.558 124.276 119.914 -0.326 0.000 2.407 393 V HA 0.704 4.824 4.120 -0.000 0.000 0.291 393 V C 0.219 176.282 176.094 -0.051 0.000 1.018 393 V CA -0.450 61.734 62.300 -0.194 0.000 0.842 393 V CB 1.229 32.974 31.823 -0.129 0.000 0.996 393 V HN 1.031 nan 8.190 nan 0.000 0.426 394 T N 1.821 116.369 114.554 -0.009 0.000 2.887 394 T HA 0.904 5.254 4.350 -0.000 0.000 0.292 394 T C -0.972 173.818 174.700 0.150 0.000 1.087 394 T CA -0.744 61.380 62.100 0.039 0.000 1.009 394 T CB 2.443 71.288 68.868 -0.039 0.000 1.203 394 T HN 0.878 nan 8.240 nan 0.000 0.518 395 Y N -2.024 118.266 120.300 -0.017 0.000 2.670 395 Y HA 0.737 5.286 4.550 -0.000 0.000 0.334 395 Y C -1.077 174.815 175.900 -0.014 0.000 1.185 395 Y CA -1.281 56.811 58.100 -0.013 0.000 1.053 395 Y CB 0.778 39.237 38.460 -0.001 0.000 1.298 395 Y HN 0.646 nan 8.280 nan 0.000 0.459 396 T N 4.124 118.624 114.554 -0.090 0.000 2.781 396 T HA 0.402 4.752 4.350 -0.000 0.000 0.305 396 T C -2.801 171.854 174.700 -0.074 0.000 1.001 396 T CA -1.277 60.730 62.100 -0.153 0.000 0.950 396 T CB 0.561 69.403 68.868 -0.043 0.000 0.955 396 T HN 0.338 nan 8.240 nan 0.000 0.471 397 P HA 0.180 nan 4.420 nan 0.000 0.262 397 P C 1.119 178.449 177.300 0.050 0.000 1.182 397 P CA 0.787 63.900 63.100 0.022 0.000 0.761 397 P CB 0.331 31.997 31.700 -0.058 0.000 0.795 398 G N 2.156 111.012 108.800 0.094 0.000 2.175 398 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.265 398 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.265 398 G C 0.491 175.403 174.900 0.019 0.000 0.979 398 G CA 0.050 45.176 45.100 0.045 0.000 0.663 398 G HN 0.860 nan 8.290 nan 0.000 0.533 399 A N 0.480 123.313 122.820 0.022 0.000 2.520 399 A HA 0.599 4.919 4.320 -0.000 0.000 0.245 399 A C 1.770 179.343 177.584 -0.019 0.000 1.072 399 A CA 1.236 53.273 52.037 -0.001 0.000 0.761 399 A CB 0.232 19.234 19.000 0.002 0.000 1.004 399 A HN 1.705 nan 8.150 nan 0.000 0.499 400 S N 1.568 117.253 115.700 -0.025 0.000 2.447 400 S HA -0.161 4.309 4.470 -0.000 0.000 0.233 400 S C 1.476 176.043 174.600 -0.054 0.000 1.006 400 S CA 1.556 59.735 58.200 -0.036 0.000 0.957 400 S CB -0.847 62.336 63.200 -0.028 0.000 0.773 400 S HN 1.186 nan 8.310 nan 0.000 0.507 401 T N -0.722 113.801 114.554 -0.052 0.000 3.113 401 T HA 0.150 4.500 4.350 -0.000 0.000 0.256 401 T C 0.465 175.105 174.700 -0.099 0.000 1.131 401 T CA -0.323 61.735 62.100 -0.069 0.000 1.074 401 T CB -0.627 68.210 68.868 -0.053 0.000 0.944 401 T HN 0.202 nan 8.240 nan 0.000 0.516 402 N N 2.386 121.027 118.700 -0.098 0.000 2.458 402 N HA 0.145 4.885 4.740 -0.000 0.000 0.258 402 N C 0.958 176.309 175.510 -0.265 0.000 1.219 402 N CA -0.188 52.772 53.050 -0.150 0.000 0.902 402 N CB 0.840 39.265 38.487 -0.102 0.000 1.076 402 N HN 0.146 nan 8.380 nan 0.000 0.455 403 K N 1.136 121.274 120.400 -0.437 0.000 2.365 403 K HA 0.048 4.368 4.320 -0.000 0.000 0.197 403 K C -0.042 175.999 176.600 -0.930 0.000 1.042 403 K CA 0.794 56.670 56.287 -0.685 0.000 0.987 403 K CB 0.088 32.048 32.500 -0.900 0.000 0.779 403 K HN 0.567 nan 8.250 nan 0.000 0.484 404 H N -0.131 118.618 119.070 -0.536 0.000 2.821 404 H HA 0.324 4.880 4.556 -0.000 0.000 0.373 404 H C -2.409 172.586 175.328 -0.555 0.000 1.165 404 H CA -2.489 53.076 56.048 -0.805 0.000 1.154 404 H CB 1.595 30.457 29.762 -1.499 0.000 1.765 404 H HN -0.163 nan 8.280 nan 0.000 0.549 405 P HA 0.012 nan 4.420 nan 0.000 0.272 405 P C 0.349 177.411 177.300 -0.396 0.000 1.240 405 P CA -0.194 62.672 63.100 -0.390 0.000 0.791 405 P CB 1.331 32.719 31.700 -0.520 0.000 0.978 406 D N 0.402 120.710 120.400 -0.153 0.000 2.117 406 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 406 D C 1.937 178.232 176.300 -0.008 0.000 0.987 406 D CA 1.281 55.280 54.000 -0.001 0.000 0.829 406 D CB -0.548 40.362 40.800 0.185 0.000 0.961 406 D HN 0.615 nan 8.370 nan 0.000 0.460 407 W N 0.313 121.684 121.300 0.118 0.000 2.350 407 W HA -0.166 4.494 4.660 -0.000 0.000 0.289 407 W C 1.932 178.522 176.519 0.117 0.000 1.215 407 W CA 0.230 57.638 57.345 0.106 0.000 1.236 407 W CB -1.311 28.206 29.460 0.095 0.000 1.130 407 W HN 0.071 nan 8.180 nan 0.000 0.541 408 W N 3.475 124.331 121.300 -0.740 0.000 2.408 408 W HA -0.160 4.500 4.660 -0.000 0.000 0.311 408 W C 1.949 178.227 176.519 -0.401 0.000 1.190 408 W CA 1.717 58.653 57.345 -0.682 0.000 1.321 408 W CB -1.049 27.746 29.460 -1.109 0.000 1.143 408 W HN -0.120 nan 8.180 nan 0.000 0.501 409 N N 1.051 119.681 118.700 -0.117 0.000 2.104 409 N HA -0.220 4.520 4.740 -0.000 0.000 0.190 409 N C 1.491 176.750 175.510 -0.418 0.000 1.024 409 N CA 2.032 54.808 53.050 -0.457 0.000 0.853 409 N CB -0.797 36.970 38.487 -1.200 0.000 1.008 409 N HN 0.190 nan 8.380 nan 0.000 0.424 410 E N 1.411 121.484 120.200 -0.211 0.000 2.070 410 E HA -0.134 4.216 4.350 -0.000 0.000 0.197 410 E C 1.612 178.264 176.600 0.087 0.000 1.004 410 E CA 1.489 57.945 56.400 0.093 0.000 0.805 410 E CB -0.006 29.809 29.700 0.191 0.000 0.744 410 E HN 0.340 nan 8.360 nan 0.000 0.451 411 K N -0.642 119.799 120.400 0.068 0.000 2.057 411 K HA -0.071 4.249 4.320 -0.000 0.000 0.206 411 K C 2.155 178.772 176.600 0.029 0.000 1.050 411 K CA 1.283 57.601 56.287 0.053 0.000 0.935 411 K CB -0.121 32.398 32.500 0.032 0.000 0.715 411 K HN 0.014 nan 8.250 nan 0.000 0.439 412 V N 2.088 121.992 119.914 -0.017 0.000 2.358 412 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 412 V C 2.403 178.546 176.094 0.082 0.000 1.047 412 V CA 1.656 63.964 62.300 0.013 0.000 1.035 412 V CB -0.398 31.434 31.823 0.015 0.000 0.658 412 V HN 0.338 nan 8.190 nan 0.000 0.452 413 K N 0.272 120.715 120.400 0.071 0.000 2.032 413 K HA -0.242 4.078 4.320 -0.000 0.000 0.209 413 K C 2.006 178.663 176.600 0.094 0.000 1.048 413 K CA 2.028 58.377 56.287 0.104 0.000 0.927 413 K CB -0.224 32.386 32.500 0.184 0.000 0.712 413 K HN 0.431 nan 8.250 nan 0.000 0.441 414 N N 0.257 119.018 118.700 0.102 0.000 2.188 414 N HA -0.172 4.568 4.740 -0.000 0.000 0.184 414 N C 1.776 177.338 175.510 0.085 0.000 1.018 414 N CA 1.318 54.419 53.050 0.085 0.000 0.858 414 N CB -0.610 37.934 38.487 0.095 0.000 0.989 414 N HN 0.426 nan 8.380 nan 0.000 0.426 415 H N 0.781 119.874 119.070 0.039 0.000 2.321 415 H HA 0.085 4.641 4.556 -0.000 0.000 0.300 415 H C 2.020 177.387 175.328 0.064 0.000 1.087 415 H CA 1.781 57.862 56.048 0.055 0.000 1.319 415 H CB -0.111 29.612 29.762 -0.064 0.000 1.379 415 H HN 0.091 nan 8.280 nan 0.000 0.501 416 M N -0.832 118.748 119.600 -0.034 0.000 2.296 416 M HA -0.123 4.357 4.480 -0.000 0.000 0.265 416 M C 1.914 178.253 176.300 0.066 0.000 1.064 416 M CA 0.965 56.255 55.300 -0.017 0.000 1.109 416 M CB 0.067 32.741 32.600 0.122 0.000 1.396 416 M HN 0.363 nan 8.290 nan 0.000 0.430 417 M N -0.335 119.287 119.600 0.037 0.000 2.236 417 M HA -0.120 4.360 4.480 -0.000 0.000 0.266 417 M C 1.807 178.086 176.300 -0.036 0.000 1.070 417 M CA 1.722 57.056 55.300 0.057 0.000 1.137 417 M CB -0.670 31.942 32.600 0.021 0.000 1.378 417 M HN 0.310 nan 8.290 nan 0.000 0.426 418 Q N -1.038 118.658 119.800 -0.173 0.000 2.331 418 Q HA -0.037 4.303 4.340 -0.000 0.000 0.203 418 Q C -0.070 175.525 176.000 -0.675 0.000 0.944 418 Q CA 0.690 56.258 55.803 -0.393 0.000 0.892 418 Q CB 0.404 28.869 28.738 -0.455 0.000 0.983 418 Q HN 0.492 nan 8.270 nan 0.000 0.482 419 H N 0.026 119.005 119.070 -0.152 0.000 2.380 419 H HA 0.195 4.751 4.556 -0.000 0.000 0.231 419 H C -0.039 175.187 175.328 -0.170 0.000 1.415 419 H CA -0.103 55.850 56.048 -0.159 0.000 1.433 419 H CB 0.553 30.151 29.762 -0.274 0.000 1.544 419 H HN 0.234 nan 8.280 nan 0.000 0.503 420 Q N 0.667 120.434 119.800 -0.055 0.000 2.369 420 Q HA -0.098 4.242 4.340 -0.000 0.000 0.206 420 Q C 1.581 177.497 176.000 -0.140 0.000 0.963 420 Q CA 0.888 56.605 55.803 -0.143 0.000 0.894 420 Q CB 0.480 29.078 28.738 -0.234 0.000 0.965 420 Q HN 0.525 nan 8.270 nan 0.000 0.475 421 E N 0.739 120.915 120.200 -0.041 0.000 2.474 421 E HA -0.044 4.306 4.350 -0.000 0.000 0.194 421 E C -0.373 176.247 176.600 0.033 0.000 1.041 421 E CA 0.234 56.626 56.400 -0.015 0.000 0.874 421 E CB -0.003 29.705 29.700 0.014 0.000 0.914 421 E HN 0.130 nan 8.360 nan 0.000 0.498 422 D N 2.589 123.026 120.400 0.061 0.000 2.308 422 D HA 0.095 4.735 4.640 -0.000 0.000 0.251 422 D C -1.426 174.922 176.300 0.080 0.000 1.127 422 D CA -1.902 52.164 54.000 0.109 0.000 0.876 422 D CB 1.506 42.394 40.800 0.147 0.000 1.176 422 D HN -0.157 nan 8.370 nan 0.000 0.446 423 P HA 0.080 nan 4.420 nan 0.000 0.249 423 P C -0.219 177.120 177.300 0.066 0.000 1.229 423 P CA 0.242 63.378 63.100 0.059 0.000 0.788 423 P CB 0.389 32.116 31.700 0.045 0.000 1.072 424 L N 1.390 122.663 121.223 0.083 0.000 2.330 424 L HA 0.396 4.736 4.340 -0.000 0.000 0.271 424 L C -1.529 175.376 176.870 0.058 0.000 1.013 424 L CA -2.275 52.590 54.840 0.042 0.000 0.816 424 L CB 2.361 44.412 42.059 -0.012 0.000 1.287 424 L HN -0.323 nan 8.230 nan 0.000 0.435 425 P HA 0.140 nan 4.420 nan 0.000 0.261 425 P C 0.133 177.320 177.300 -0.188 0.000 1.268 425 P CA 0.440 63.551 63.100 0.018 0.000 0.833 425 P CB 0.423 32.143 31.700 0.034 0.000 1.231 426 I N 2.173 122.533 120.570 -0.350 0.000 2.371 426 I HA 0.236 4.406 4.170 -0.000 0.000 0.290 426 I C -2.165 173.486 176.117 -0.776 0.000 1.028 426 I CA -2.807 58.233 61.300 -0.433 0.000 1.345 426 I CB 0.862 38.693 38.000 -0.282 0.000 1.407 426 I HN -0.264 nan 8.210 nan 0.000 0.501 427 P HA -0.029 nan 4.420 nan 0.000 0.265 427 P C 0.313 177.396 177.300 -0.361 0.000 1.187 427 P CA 0.084 62.852 63.100 -0.554 0.000 0.766 427 P CB 0.314 31.905 31.700 -0.181 0.000 0.820 428 F N 1.029 120.872 119.950 -0.178 0.000 2.161 428 F HA -0.151 4.376 4.527 -0.000 0.000 0.300 428 F C 1.662 177.426 175.800 -0.061 0.000 1.089 428 F CA 1.608 59.545 58.000 -0.106 0.000 1.282 428 F CB -0.895 38.060 39.000 -0.075 0.000 1.010 428 F HN 0.407 nan 8.300 nan 0.000 0.485 429 E N -0.273 120.016 120.200 0.148 0.000 2.437 429 E HA 0.021 4.371 4.350 -0.000 0.000 0.195 429 E C -0.306 176.318 176.600 0.040 0.000 1.029 429 E CA -0.238 56.217 56.400 0.092 0.000 0.948 429 E CB -0.235 29.521 29.700 0.094 0.000 1.082 429 E HN 0.184 nan 8.360 nan 0.000 0.456 430 D N 2.622 123.023 120.400 0.002 0.000 2.450 430 D HA 0.036 4.676 4.640 -0.000 0.000 0.247 430 D C -2.295 174.018 176.300 0.021 0.000 1.162 430 D CA -1.570 52.415 54.000 -0.025 0.000 0.879 430 D CB 0.810 41.556 40.800 -0.091 0.000 1.163 430 D HN -0.120 nan 8.370 nan 0.000 0.472 431 P HA 0.081 nan 4.420 nan 0.000 0.272 431 P C -0.410 176.999 177.300 0.182 0.000 1.230 431 P CA -0.372 62.819 63.100 0.152 0.000 0.788 431 P CB 0.383 32.181 31.700 0.163 0.000 0.949 432 E N 2.111 122.433 120.200 0.204 0.000 2.392 432 E HA 0.204 4.554 4.350 -0.000 0.000 0.259 432 E C -2.516 174.111 176.600 0.046 0.000 1.108 432 E CA -1.952 54.495 56.400 0.079 0.000 0.916 432 E CB -0.882 28.830 29.700 0.021 0.000 0.989 432 E HN 0.211 nan 8.360 nan 0.000 0.432 433 P HA 0.085 nan 4.420 nan 0.000 0.272 433 P C -0.535 176.764 177.300 -0.001 0.000 1.223 433 P CA -0.022 63.141 63.100 0.106 0.000 0.784 433 P CB 0.396 32.108 31.700 0.021 0.000 0.923 434 Q N 0.949 120.842 119.800 0.154 0.000 3.394 434 Q HA 0.299 4.639 4.340 -0.000 0.000 0.285 434 Q C -1.080 175.009 176.000 0.148 0.000 0.866 434 Q CA -0.287 55.486 55.803 -0.051 0.000 0.844 434 Q CB 1.072 29.521 28.738 -0.483 0.000 1.472 434 Q HN 0.182 nan 8.270 nan 0.000 0.401 435 V N 0.585 120.550 119.914 0.084 0.000 2.547 435 V HA 0.707 4.827 4.120 -0.000 0.000 0.299 435 V C 0.201 176.312 176.094 0.027 0.000 1.040 435 V CA -0.348 62.002 62.300 0.082 0.000 0.913 435 V CB 2.014 33.825 31.823 -0.020 0.000 0.992 435 V HN 0.418 nan 8.190 nan 0.000 0.449 436 T N 1.819 116.422 114.554 0.080 0.000 2.900 436 T HA 0.489 4.839 4.350 -0.000 0.000 0.303 436 T C -0.903 173.747 174.700 -0.083 0.000 1.142 436 T CA -0.328 61.761 62.100 -0.017 0.000 1.007 436 T CB 1.899 70.738 68.868 -0.048 0.000 1.156 436 T HN 0.812 nan 8.240 nan 0.000 0.490 437 T N 4.357 118.707 114.554 -0.340 0.000 2.772 437 T HA 0.598 4.948 4.350 -0.000 0.000 0.288 437 T C -0.106 174.450 174.700 -0.239 0.000 0.994 437 T CA -0.602 61.136 62.100 -0.604 0.000 0.951 437 T CB -0.156 67.930 68.868 -1.303 0.000 0.933 437 T HN 0.513 nan 8.240 nan 0.000 0.447 438 L N 4.487 125.651 121.223 -0.099 0.000 2.467 438 L HA 0.369 4.709 4.340 -0.000 0.000 0.270 438 L C 0.750 177.640 176.870 0.033 0.000 1.205 438 L CA -0.870 53.997 54.840 0.045 0.000 0.828 438 L CB 0.183 42.263 42.059 0.034 0.000 1.101 438 L HN 0.633 nan 8.230 nan 0.000 0.479 439 F N 3.062 122.949 119.950 -0.105 0.000 2.537 439 F HA -0.117 4.410 4.527 -0.000 0.000 0.402 439 F C 0.325 175.872 175.800 -0.421 0.000 1.005 439 F CA 0.697 58.536 58.000 -0.268 0.000 1.203 439 F CB 0.085 38.978 39.000 -0.178 0.000 0.955 439 F HN 0.399 nan 8.300 nan 0.000 0.547 440 Q N 6.565 125.872 119.800 -0.821 0.000 2.501 440 Q HA 0.261 4.601 4.340 -0.000 0.000 0.288 440 Q C -2.029 173.528 176.000 -0.739 0.000 1.051 440 Q CA -1.761 53.655 55.803 -0.646 0.000 0.788 440 Q CB 1.363 29.618 28.738 -0.804 0.000 1.469 440 Q HN 0.233 nan 8.270 nan 0.000 0.416 441 P HA -0.184 nan 4.420 nan 0.000 0.217 441 P C 1.192 178.268 177.300 -0.373 0.000 1.148 441 P CA 1.910 64.832 63.100 -0.297 0.000 0.828 441 P CB 0.246 31.869 31.700 -0.128 0.000 0.783 442 S N -1.485 113.994 115.700 -0.368 0.000 2.527 442 S HA -0.092 4.378 4.470 -0.000 0.000 0.222 442 S C 0.490 174.898 174.600 -0.320 0.000 0.985 442 S CA 0.119 58.177 58.200 -0.237 0.000 0.921 442 S CB -1.230 61.934 63.200 -0.061 0.000 0.772 442 S HN 0.420 nan 8.310 nan 0.000 0.529 443 H N -1.266 117.359 119.070 -0.742 0.000 2.596 443 H HA 0.451 5.007 4.556 -0.000 0.000 0.240 443 H C -3.188 170.988 175.328 -1.921 0.000 1.406 443 H CA -1.725 53.490 56.048 -1.388 0.000 1.504 443 H CB 0.389 29.615 29.762 -0.893 0.000 1.688 443 H HN 0.078 nan 8.280 nan 0.000 0.546 444 P HA 0.059 nan 4.420 nan 0.000 0.225 444 P C -1.208 175.406 177.300 -1.143 0.000 1.768 444 P CA 0.226 62.182 63.100 -1.907 0.000 0.943 444 P CB -1.070 30.077 31.700 -0.921 0.000 1.936 445 W N -0.710 120.246 121.300 -0.572 0.000 3.167 445 W HA 0.534 5.194 4.660 -0.000 0.000 0.324 445 W C -0.655 175.957 176.519 0.155 0.000 1.230 445 W CA -1.296 56.059 57.345 0.017 0.000 1.184 445 W CB 0.091 29.589 29.460 0.063 0.000 1.414 445 W HN -0.038 nan 8.180 nan 0.000 0.551 446 H N 1.018 120.362 119.070 0.456 0.000 2.505 446 H HA 0.692 5.248 4.556 -0.000 0.000 0.351 446 H C -0.194 175.291 175.328 0.261 0.000 1.151 446 H CA 0.460 56.681 56.048 0.288 0.000 1.339 446 H CB 1.458 31.348 29.762 0.213 0.000 1.483 446 H HN 0.568 nan 8.280 nan 0.000 0.558 447 T N 1.928 116.105 114.554 -0.629 0.000 2.916 447 T HA 0.496 4.846 4.350 -0.000 0.000 0.298 447 T C -0.858 173.533 174.700 -0.515 0.000 1.031 447 T CA -1.108 60.664 62.100 -0.545 0.000 0.993 447 T CB 1.598 70.044 68.868 -0.705 0.000 1.045 447 T HN 0.661 nan 8.240 nan 0.000 0.454 448 Q N 1.889 121.583 119.800 -0.177 0.000 2.304 448 Q HA 0.595 4.935 4.340 -0.000 0.000 0.270 448 Q C -1.218 174.669 176.000 -0.188 0.000 1.035 448 Q CA -0.673 54.946 55.803 -0.306 0.000 0.781 448 Q CB 2.694 31.118 28.738 -0.523 0.000 1.261 448 Q HN 0.727 nan 8.270 nan 0.000 0.444 449 I N 3.680 124.112 120.570 -0.231 0.000 2.521 449 I HA 0.368 4.538 4.170 -0.000 0.000 0.277 449 I C -0.460 175.556 176.117 -0.168 0.000 1.054 449 I CA -0.265 60.804 61.300 -0.385 0.000 1.117 449 I CB 0.471 38.118 38.000 -0.588 0.000 1.217 449 I HN 0.771 nan 8.210 nan 0.000 0.469 450 H N 3.714 122.599 119.070 -0.308 0.000 3.150 450 H HA 0.652 5.208 4.556 -0.000 0.000 0.270 450 H C -1.231 174.020 175.328 -0.127 0.000 1.573 450 H CA -1.338 54.600 56.048 -0.182 0.000 1.195 450 H CB 1.379 31.060 29.762 -0.135 0.000 1.874 450 H HN 0.103 nan 8.280 nan 0.000 0.691 451 R N 1.328 121.648 120.500 -0.300 0.000 2.575 451 R HA 0.284 4.624 4.340 -0.000 0.000 0.293 451 R C -1.559 174.516 176.300 -0.374 0.000 0.983 451 R CA -0.625 55.289 56.100 -0.310 0.000 0.887 451 R CB 1.766 32.008 30.300 -0.097 0.000 1.184 451 R HN 0.869 nan 8.270 nan 0.000 0.445 452 D N 0.569 120.761 120.400 -0.347 0.000 2.553 452 D HA 0.487 5.127 4.640 -0.000 0.000 0.249 452 D C -0.359 175.939 176.300 -0.003 0.000 1.062 452 D CA -0.885 53.016 54.000 -0.166 0.000 1.085 452 D CB 0.522 41.239 40.800 -0.139 0.000 1.350 452 D HN 0.396 nan 8.370 nan 0.000 0.575 453 A N -0.345 122.494 122.820 0.031 0.000 2.565 453 A HA 0.388 4.707 4.320 -0.000 0.000 0.237 453 A C -0.771 176.889 177.584 0.126 0.000 1.053 453 A CA 0.212 52.312 52.037 0.105 0.000 0.755 453 A CB -0.662 18.423 19.000 0.142 0.000 0.980 453 A HN 0.490 nan 8.150 nan 0.000 0.506 454 F N 1.468 121.375 119.950 -0.071 0.000 2.628 454 F HA 0.467 4.994 4.527 -0.000 0.000 0.309 454 F C 0.052 175.683 175.800 -0.282 0.000 1.108 454 F CA -0.326 57.523 58.000 -0.252 0.000 0.971 454 F CB 1.938 40.672 39.000 -0.442 0.000 1.279 454 F HN 0.527 nan 8.300 nan 0.000 0.441 455 S N 4.152 119.255 115.700 -0.995 0.000 2.473 455 S HA 0.394 4.864 4.470 -0.000 0.000 0.312 455 S C -1.055 173.208 174.600 -0.561 0.000 1.087 455 S CA -0.451 57.402 58.200 -0.578 0.000 1.077 455 S CB -0.526 62.392 63.200 -0.469 0.000 1.065 455 S HN 0.459 nan 8.310 nan 0.000 0.510 456 Y N 2.170 122.527 120.300 0.095 0.000 2.359 456 Y HA 0.459 5.009 4.550 -0.000 0.000 0.330 456 Y C 1.505 177.461 175.900 0.093 0.000 1.143 456 Y CA 0.142 58.382 58.100 0.234 0.000 1.318 456 Y CB 0.368 38.975 38.460 0.245 0.000 1.234 456 Y HN 0.809 nan 8.280 nan 0.000 0.522 457 G N 0.912 109.850 108.800 0.231 0.000 2.636 457 G HA2 0.301 4.261 3.960 -0.000 0.000 0.246 457 G HA3 0.301 4.261 3.960 -0.000 0.000 0.246 457 G C 0.814 175.804 174.900 0.150 0.000 1.216 457 G CA -0.116 45.065 45.100 0.136 0.000 0.854 457 G HN 0.892 nan 8.290 nan 0.000 0.572 458 A N -0.006 122.870 122.820 0.095 0.000 2.067 458 A HA 0.055 4.375 4.320 -0.000 0.000 0.219 458 A C 2.341 179.969 177.584 0.074 0.000 1.158 458 A CA 1.667 53.751 52.037 0.078 0.000 0.661 458 A CB -0.222 18.809 19.000 0.051 0.000 0.801 458 A HN 0.496 nan 8.150 nan 0.000 0.452 459 V N -0.492 119.470 119.914 0.080 0.000 2.446 459 V HA -0.219 3.901 4.120 -0.000 0.000 0.244 459 V C 2.436 178.579 176.094 0.081 0.000 1.039 459 V CA 1.767 64.108 62.300 0.068 0.000 1.045 459 V CB -0.844 31.016 31.823 0.061 0.000 0.681 459 V HN 0.602 nan 8.190 nan 0.000 0.459 460 Q N -0.073 119.806 119.800 0.130 0.000 2.226 460 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 460 Q C 2.130 178.171 176.000 0.069 0.000 0.975 460 Q CA 1.256 57.151 55.803 0.155 0.000 0.866 460 Q CB -0.198 28.745 28.738 0.341 0.000 0.915 460 Q HN 0.678 nan 8.270 nan 0.000 0.440 461 Q N -0.299 119.553 119.800 0.085 0.000 2.541 461 Q HA -0.056 4.284 4.340 -0.000 0.000 0.215 461 Q C 1.762 177.758 176.000 -0.007 0.000 0.977 461 Q CA 0.528 56.340 55.803 0.016 0.000 0.934 461 Q CB 0.070 28.844 28.738 0.060 0.000 0.988 461 Q HN 0.111 nan 8.270 nan 0.000 0.521 462 S N -0.251 115.454 115.700 0.008 0.000 2.496 462 S HA 0.043 4.513 4.470 -0.000 0.000 0.224 462 S C 0.649 175.241 174.600 -0.013 0.000 0.996 462 S CA -0.003 58.200 58.200 0.004 0.000 0.927 462 S CB 0.334 63.544 63.200 0.017 0.000 0.774 462 S HN 0.143 nan 8.310 nan 0.000 0.524 463 I N 2.657 123.205 120.570 -0.036 0.000 2.353 463 I HA 0.279 4.449 4.170 -0.000 0.000 0.293 463 I C 0.313 176.384 176.117 -0.077 0.000 0.992 463 I CA -0.851 60.421 61.300 -0.046 0.000 1.268 463 I CB 1.062 39.035 38.000 -0.045 0.000 1.387 463 I HN 0.169 nan 8.210 nan 0.000 0.478 464 D N 3.953 124.326 120.400 -0.045 0.000 2.493 464 D HA -0.058 4.582 4.640 -0.000 0.000 0.240 464 D C 1.230 177.485 176.300 -0.075 0.000 1.142 464 D CA 0.195 54.172 54.000 -0.039 0.000 0.872 464 D CB 1.227 42.028 40.800 0.001 0.000 1.173 464 D HN 0.655 nan 8.370 nan 0.000 0.467 465 S N 4.442 120.087 115.700 -0.092 0.000 2.400 465 S HA -0.206 4.264 4.470 -0.000 0.000 0.232 465 S C 1.714 176.278 174.600 -0.061 0.000 1.025 465 S CA 0.679 58.808 58.200 -0.119 0.000 0.993 465 S CB -0.098 63.044 63.200 -0.096 0.000 0.808 465 S HN 0.572 nan 8.310 nan 0.000 0.478 466 R N 0.787 121.270 120.500 -0.029 0.000 2.200 466 R HA 0.127 4.467 4.340 -0.000 0.000 0.234 466 R C 1.894 178.175 176.300 -0.032 0.000 1.127 466 R CA 1.246 57.328 56.100 -0.029 0.000 0.989 466 R CB -0.570 29.708 30.300 -0.037 0.000 0.869 466 R HN 0.467 nan 8.270 nan 0.000 0.459 467 L N 0.341 121.546 121.223 -0.031 0.000 2.418 467 L HA 0.103 4.443 4.340 -0.000 0.000 0.218 467 L C 0.713 177.579 176.870 -0.006 0.000 1.125 467 L CA 0.185 55.015 54.840 -0.018 0.000 0.835 467 L CB 0.076 42.125 42.059 -0.017 0.000 0.953 467 L HN 0.065 nan 8.230 nan 0.000 0.454 468 I N 0.384 120.941 120.570 -0.022 0.000 2.365 468 I HA 0.209 4.379 4.170 -0.000 0.000 0.291 468 I C -0.525 175.599 176.117 0.012 0.000 1.004 468 I CA -0.311 60.987 61.300 -0.003 0.000 1.311 468 I CB 1.532 39.506 38.000 -0.044 0.000 1.401 468 I HN -0.274 nan 8.210 nan 0.000 0.491 469 V N 4.953 124.896 119.914 0.047 0.000 2.735 469 V HA 0.345 4.465 4.120 -0.000 0.000 0.310 469 V C -0.745 175.334 176.094 -0.025 0.000 1.061 469 V CA -0.849 61.440 62.300 -0.018 0.000 0.913 469 V CB 2.198 34.001 31.823 -0.034 0.000 1.005 469 V HN 0.578 nan 8.190 nan 0.000 0.428 470 D N 2.316 122.626 120.400 -0.150 0.000 2.175 470 D HA 0.476 5.116 4.640 -0.000 0.000 0.248 470 D C -1.057 175.140 176.300 -0.172 0.000 1.047 470 D CA 0.064 54.013 54.000 -0.086 0.000 0.883 470 D CB 1.386 42.148 40.800 -0.064 0.000 1.180 470 D HN 0.444 nan 8.370 nan 0.000 0.438 471 W N 1.500 122.770 121.300 -0.049 0.000 2.538 471 W HA 0.462 5.122 4.660 -0.000 0.000 0.322 471 W C 0.248 176.806 176.519 0.064 0.000 1.028 471 W CA -0.865 56.496 57.345 0.026 0.000 1.228 471 W CB 1.270 30.633 29.460 -0.162 0.000 1.356 471 W HN -0.076 nan 8.180 nan 0.000 0.452 472 R N 3.074 123.816 120.500 0.403 0.000 2.473 472 R HA 0.473 4.813 4.340 -0.000 0.000 0.303 472 R C -1.549 174.928 176.300 0.296 0.000 1.002 472 R CA -0.816 55.414 56.100 0.217 0.000 0.884 472 R CB 1.466 31.880 30.300 0.190 0.000 1.173 472 R HN 0.181 nan 8.270 nan 0.000 0.464 473 F N 3.034 122.835 119.950 -0.250 0.000 2.469 473 F HA 0.511 5.038 4.527 -0.000 0.000 0.332 473 F C -0.255 175.411 175.800 -0.224 0.000 1.103 473 F CA -1.506 56.434 58.000 -0.099 0.000 0.979 473 F CB 1.069 39.982 39.000 -0.145 0.000 1.137 473 F HN 0.286 nan 8.300 nan 0.000 0.463 474 F N 1.144 121.293 119.950 0.330 0.000 2.449 474 F HA 0.662 5.189 4.527 -0.000 0.000 0.342 474 F C 0.632 176.647 175.800 0.358 0.000 1.127 474 F CA -1.067 57.124 58.000 0.320 0.000 0.975 474 F CB 1.583 40.819 39.000 0.394 0.000 1.146 474 F HN 0.524 nan 8.300 nan 0.000 0.444 475 G N 2.065 111.124 108.800 0.432 0.000 2.462 475 G HA2 0.626 4.586 3.960 -0.000 0.000 0.319 475 G HA3 0.626 4.586 3.960 -0.000 0.000 0.319 475 G C -0.867 174.235 174.900 0.335 0.000 1.171 475 G CA -1.067 44.271 45.100 0.397 0.000 0.920 475 G HN 0.708 nan 8.290 nan 0.000 0.499 476 R N -0.726 119.966 120.500 0.320 0.000 2.457 476 R HA 0.639 4.979 4.340 -0.000 0.000 0.284 476 R C -1.041 175.357 176.300 0.163 0.000 1.024 476 R CA -0.542 55.660 56.100 0.170 0.000 1.025 476 R CB 1.203 31.614 30.300 0.184 0.000 1.063 476 R HN 0.262 nan 8.270 nan 0.000 0.493 477 T N 1.935 116.548 114.554 0.098 0.000 2.809 477 T HA 0.103 4.453 4.350 -0.000 0.000 0.284 477 T C -0.729 174.043 174.700 0.120 0.000 0.992 477 T CA -0.628 61.580 62.100 0.180 0.000 0.957 477 T CB 1.326 70.368 68.868 0.291 0.000 0.942 477 T HN 0.671 nan 8.240 nan 0.000 0.439 478 E N 4.765 125.041 120.200 0.127 0.000 2.415 478 E HA 0.077 4.427 4.350 -0.000 0.000 0.263 478 E C -2.160 174.512 176.600 0.120 0.000 0.995 478 E CA -1.467 54.999 56.400 0.109 0.000 0.915 478 E CB 0.480 30.238 29.700 0.096 0.000 0.951 478 E HN 0.174 nan 8.360 nan 0.000 0.449 479 P HA 0.083 nan 4.420 nan 0.000 0.271 479 P C -1.234 176.214 177.300 0.246 0.000 1.233 479 P CA 0.200 63.433 63.100 0.221 0.000 0.764 479 P CB 0.577 32.426 31.700 0.249 0.000 0.825 480 K N 2.709 123.201 120.400 0.153 0.000 2.378 480 K HA 0.173 4.493 4.320 -0.000 0.000 0.252 480 K C 0.934 177.364 176.600 -0.283 0.000 0.931 480 K CA -0.701 55.596 56.287 0.016 0.000 0.794 480 K CB 2.348 34.817 32.500 -0.051 0.000 1.181 480 K HN 0.431 nan 8.250 nan 0.000 0.425 481 E N 2.115 121.992 120.200 -0.538 0.000 2.160 481 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 481 E C 1.016 177.357 176.600 -0.432 0.000 0.991 481 E CA 1.531 57.368 56.400 -0.938 0.000 0.810 481 E CB 0.482 29.868 29.700 -0.523 0.000 0.742 481 E HN 0.539 nan 8.360 nan 0.000 0.466 482 E N 0.279 120.334 120.200 -0.242 0.000 2.347 482 E HA -0.113 4.237 4.350 -0.000 0.000 0.196 482 E C 0.064 176.602 176.600 -0.105 0.000 1.008 482 E CA 0.340 56.654 56.400 -0.143 0.000 0.852 482 E CB -0.266 29.367 29.700 -0.112 0.000 0.783 482 E HN 0.070 nan 8.360 nan 0.000 0.505 483 N N 1.951 120.576 118.700 -0.124 0.000 2.408 483 N HA 0.188 4.928 4.740 -0.000 0.000 0.257 483 N C -0.755 174.804 175.510 0.082 0.000 1.064 483 N CA 0.135 53.162 53.050 -0.039 0.000 0.952 483 N CB 1.089 39.516 38.487 -0.101 0.000 1.093 483 N HN 0.106 nan 8.380 nan 0.000 0.490 484 K N 1.164 121.668 120.400 0.173 0.000 2.477 484 K HA 0.462 4.782 4.320 -0.000 0.000 0.255 484 K C -1.241 175.505 176.600 0.243 0.000 0.952 484 K CA -0.918 55.489 56.287 0.201 0.000 0.826 484 K CB 2.420 35.043 32.500 0.206 0.000 1.331 484 K HN 0.171 nan 8.250 nan 0.000 0.437 485 L N 3.732 125.047 121.223 0.154 0.000 2.325 485 L HA 0.586 4.926 4.340 -0.000 0.000 0.281 485 L C -1.357 175.449 176.870 -0.107 0.000 1.004 485 L CA -0.085 54.682 54.840 -0.122 0.000 0.823 485 L CB 0.597 42.593 42.059 -0.104 0.000 1.236 485 L HN 0.700 nan 8.230 nan 0.000 0.415 486 W N 3.544 124.558 121.300 -0.476 0.000 3.017 486 W HA 0.655 5.315 4.660 -0.000 0.000 0.341 486 W C -2.164 173.912 176.519 -0.739 0.000 1.180 486 W CA -1.182 55.940 57.345 -0.371 0.000 1.097 486 W CB 0.949 30.336 29.460 -0.121 0.000 1.468 486 W HN 0.341 nan 8.180 nan 0.000 0.584 487 F N 1.505 121.663 119.950 0.347 0.000 2.529 487 F HA 0.349 4.876 4.527 -0.000 0.000 0.320 487 F C 0.747 176.726 175.800 0.298 0.000 1.118 487 F CA -0.928 57.155 58.000 0.139 0.000 0.915 487 F CB 2.143 41.196 39.000 0.089 0.000 1.161 487 F HN 0.266 nan 8.300 nan 0.000 0.445 488 S N 0.986 116.852 115.700 0.277 0.000 2.564 488 S HA 0.081 4.551 4.470 -0.000 0.000 0.278 488 S C 0.707 175.455 174.600 0.248 0.000 1.333 488 S CA -0.543 57.844 58.200 0.312 0.000 1.048 488 S CB 0.419 63.703 63.200 0.139 0.000 0.900 488 S HN 0.686 nan 8.310 nan 0.000 0.505 489 D N 2.640 123.169 120.400 0.215 0.000 2.339 489 D HA 0.130 4.770 4.640 -0.000 0.000 0.217 489 D C 0.915 177.274 176.300 0.099 0.000 1.050 489 D CA 0.290 54.370 54.000 0.134 0.000 0.856 489 D CB 0.214 41.074 40.800 0.099 0.000 0.922 489 D HN 0.407 nan 8.370 nan 0.000 0.518 490 K N -0.103 120.361 120.400 0.105 0.000 2.485 490 K HA 0.134 4.454 4.320 -0.000 0.000 0.200 490 K C 0.142 176.783 176.600 0.069 0.000 1.352 490 K CA -0.077 56.256 56.287 0.076 0.000 0.953 490 K CB 0.951 33.495 32.500 0.073 0.000 1.387 490 K HN -0.012 nan 8.250 nan 0.000 0.512 491 I N 3.501 124.116 120.570 0.075 0.000 2.519 491 I HA 0.110 4.280 4.170 -0.000 0.000 0.287 491 I C 0.603 176.755 176.117 0.059 0.000 1.047 491 I CA 0.159 61.492 61.300 0.055 0.000 1.381 491 I CB 1.018 39.040 38.000 0.037 0.000 1.417 491 I HN 0.194 nan 8.210 nan 0.000 0.540 492 T N 1.194 115.779 114.554 0.051 0.000 2.916 492 T HA 0.591 4.941 4.350 -0.000 0.000 0.292 492 T C -0.489 174.246 174.700 0.058 0.000 1.055 492 T CA -0.934 61.202 62.100 0.061 0.000 1.009 492 T CB 2.474 71.373 68.868 0.051 0.000 1.118 492 T HN 0.545 nan 8.240 nan 0.000 0.497 493 D N 0.815 121.266 120.400 0.084 0.000 2.511 493 D HA 0.501 5.141 4.640 -0.000 0.000 0.276 493 D C 1.633 177.981 176.300 0.079 0.000 1.220 493 D CA -0.469 53.589 54.000 0.097 0.000 1.077 493 D CB 0.130 41.023 40.800 0.155 0.000 1.126 493 D HN 0.665 nan 8.370 nan 0.000 0.583 494 A N -1.313 121.553 122.820 0.077 0.000 2.125 494 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 494 A C 1.016 178.464 177.584 -0.228 0.000 1.156 494 A CA 0.977 52.970 52.037 -0.074 0.000 0.671 494 A CB -0.952 17.984 19.000 -0.107 0.000 0.794 494 A HN 0.548 nan 8.150 nan 0.000 0.459 495 Y N -1.023 119.295 120.300 0.029 0.000 2.681 495 Y HA 0.233 4.783 4.550 -0.000 0.000 0.267 495 Y C 0.480 176.401 175.900 0.036 0.000 1.166 495 Y CA -0.327 57.793 58.100 0.034 0.000 1.209 495 Y CB -0.496 37.971 38.460 0.012 0.000 1.161 495 Y HN 0.489 nan 8.280 nan 0.000 0.534 496 N N -0.378 118.389 118.700 0.112 0.000 2.747 496 N HA -0.177 4.563 4.740 -0.000 0.000 0.249 496 N C -0.657 174.897 175.510 0.073 0.000 1.107 496 N CA 0.461 53.553 53.050 0.070 0.000 0.707 496 N CB -0.613 37.900 38.487 0.042 0.000 1.054 496 N HN 0.177 nan 8.380 nan 0.000 0.555 497 M N -0.315 119.345 119.600 0.101 0.000 2.644 497 M HA 0.429 4.909 4.480 -0.000 0.000 0.316 497 M C -2.262 174.097 176.300 0.098 0.000 1.200 497 M CA -2.035 53.313 55.300 0.079 0.000 0.944 497 M CB 0.868 33.516 32.600 0.079 0.000 1.691 497 M HN -0.305 nan 8.290 nan 0.000 0.471 498 P HA -0.016 nan 4.420 nan 0.000 0.261 498 P C -0.649 176.803 177.300 0.253 0.000 1.183 498 P CA 0.123 63.318 63.100 0.159 0.000 0.761 498 P CB 0.211 32.007 31.700 0.159 0.000 0.785 499 Q N 7.184 127.080 119.800 0.161 0.000 2.271 499 Q HA 0.138 4.478 4.340 -0.000 0.000 0.273 499 Q C -2.211 173.762 176.000 -0.046 0.000 1.051 499 Q CA -1.879 53.969 55.803 0.076 0.000 0.901 499 Q CB -0.245 28.490 28.738 -0.005 0.000 1.174 499 Q HN 0.298 nan 8.270 nan 0.000 0.385 500 P HA 0.072 nan 4.420 nan 0.000 0.268 500 P C -1.024 175.805 177.300 -0.784 0.000 1.205 500 P CA -0.065 62.649 63.100 -0.644 0.000 0.771 500 P CB 0.942 32.323 31.700 -0.532 0.000 0.858 501 T N 2.971 116.838 114.554 -1.145 0.000 2.921 501 T HA 0.498 4.848 4.350 -0.000 0.000 0.297 501 T C -0.534 173.499 174.700 -1.112 0.000 1.013 501 T CA -0.124 61.286 62.100 -1.149 0.000 0.990 501 T CB 0.465 68.327 68.868 -1.676 0.000 1.023 501 T HN 0.056 nan 8.240 nan 0.000 0.447 502 F N 1.942 121.614 119.950 -0.464 0.000 2.397 502 F HA 0.524 5.051 4.527 -0.000 0.000 0.331 502 F C 0.712 176.450 175.800 -0.104 0.000 1.090 502 F CA -0.914 56.939 58.000 -0.246 0.000 1.065 502 F CB 1.058 39.964 39.000 -0.156 0.000 1.184 502 F HN 0.397 nan 8.300 nan 0.000 0.499 503 D N 3.270 123.828 120.400 0.263 0.000 2.375 503 D HA 0.213 4.853 4.640 -0.000 0.000 0.259 503 D C -1.781 174.643 176.300 0.206 0.000 1.235 503 D CA -0.102 54.037 54.000 0.232 0.000 0.924 503 D CB 0.280 41.250 40.800 0.283 0.000 1.143 503 D HN 0.300 nan 8.370 nan 0.000 0.529 504 F N 3.145 123.087 119.950 -0.012 0.000 2.569 504 F HA 0.595 5.122 4.527 -0.000 0.000 0.312 504 F C -1.020 174.673 175.800 -0.179 0.000 1.109 504 F CA -0.601 57.324 58.000 -0.125 0.000 0.919 504 F CB 1.368 40.225 39.000 -0.238 0.000 1.211 504 F HN 0.007 nan 8.300 nan 0.000 0.446 505 R N 3.965 123.955 120.500 -0.850 0.000 2.740 505 R HA 0.366 4.706 4.340 -0.000 0.000 0.273 505 R C -1.681 173.984 176.300 -1.058 0.000 0.998 505 R CA -0.994 54.710 56.100 -0.661 0.000 0.900 505 R CB 1.703 31.832 30.300 -0.286 0.000 1.223 505 R HN 0.573 nan 8.270 nan 0.000 0.466 506 F N 2.720 122.476 119.950 -0.324 0.000 2.541 506 F HA 0.198 4.725 4.527 -0.000 0.000 0.378 506 F C -1.314 174.373 175.800 -0.188 0.000 1.068 506 F CA -1.251 56.639 58.000 -0.184 0.000 1.199 506 F CB -0.107 38.897 39.000 0.007 0.000 1.091 506 F HN 0.119 nan 8.300 nan 0.000 0.555 507 P HA 0.097 nan 4.420 nan 0.000 0.266 507 P C -0.535 176.782 177.300 0.029 0.000 1.195 507 P CA -0.136 62.947 63.100 -0.027 0.000 0.768 507 P CB 0.525 32.224 31.700 -0.003 0.000 0.838 508 A N 2.598 125.421 122.820 0.005 0.000 2.366 508 A HA 0.560 4.880 4.320 -0.000 0.000 0.250 508 A C 1.114 178.715 177.584 0.028 0.000 1.099 508 A CA 0.735 52.782 52.037 0.015 0.000 0.794 508 A CB -0.965 18.036 19.000 0.002 0.000 1.056 508 A HN 0.834 nan 8.150 nan 0.000 0.499 509 G N -0.089 108.729 108.800 0.030 0.000 2.488 509 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.237 509 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.237 509 G C 1.047 175.979 174.900 0.053 0.000 1.209 509 G CA 0.776 45.899 45.100 0.038 0.000 0.929 509 G HN 1.052 nan 8.290 nan 0.000 0.578 510 R N -0.102 120.436 120.500 0.063 0.000 2.103 510 R HA -0.108 4.232 4.340 -0.000 0.000 0.242 510 R C 2.803 179.162 176.300 0.099 0.000 1.142 510 R CA 2.828 58.975 56.100 0.079 0.000 0.960 510 R CB -0.982 29.366 30.300 0.080 0.000 0.858 510 R HN 0.654 nan 8.270 nan 0.000 0.439 511 T N 0.125 114.742 114.554 0.105 0.000 2.635 511 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 511 T C 1.963 176.724 174.700 0.102 0.000 1.040 511 T CA 1.952 64.130 62.100 0.131 0.000 1.156 511 T CB -0.254 68.713 68.868 0.165 0.000 0.863 511 T HN 0.285 nan 8.240 nan 0.000 0.430 512 S N 0.511 116.254 115.700 0.072 0.000 2.368 512 S HA -0.035 4.435 4.470 -0.000 0.000 0.224 512 S C 2.034 176.651 174.600 0.029 0.000 1.029 512 S CA 1.017 59.232 58.200 0.024 0.000 0.988 512 S CB -0.203 63.006 63.200 0.015 0.000 0.838 512 S HN 0.509 nan 8.310 nan 0.000 0.462 513 K N 1.349 121.781 120.400 0.053 0.000 2.057 513 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 513 K C 1.873 178.532 176.600 0.099 0.000 1.049 513 K CA 1.449 57.774 56.287 0.063 0.000 0.931 513 K CB -0.114 32.426 32.500 0.067 0.000 0.714 513 K HN 0.362 nan 8.250 nan 0.000 0.440 514 E N 0.005 120.289 120.200 0.140 0.000 2.110 514 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 514 E C 1.979 178.678 176.600 0.165 0.000 0.988 514 E CA 0.893 57.435 56.400 0.236 0.000 0.804 514 E CB -0.100 29.773 29.700 0.288 0.000 0.745 514 E HN 0.447 nan 8.360 nan 0.000 0.458 515 A N 1.516 124.402 122.820 0.111 0.000 1.883 515 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 515 A C 2.114 179.772 177.584 0.123 0.000 1.186 515 A CA 1.853 53.953 52.037 0.105 0.000 0.624 515 A CB -0.393 18.625 19.000 0.029 0.000 0.822 515 A HN 0.144 nan 8.150 nan 0.000 0.444 516 E N 0.392 120.646 120.200 0.090 0.000 2.107 516 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 516 E C 1.320 177.903 176.600 -0.027 0.000 0.982 516 E CA 1.445 57.894 56.400 0.082 0.000 0.809 516 E CB -0.304 29.419 29.700 0.039 0.000 0.756 516 E HN 0.516 nan 8.360 nan 0.000 0.459 517 D N -0.044 120.340 120.400 -0.027 0.000 2.149 517 D HA -0.184 4.456 4.640 -0.000 0.000 0.198 517 D C 1.896 177.948 176.300 -0.412 0.000 0.990 517 D CA 1.200 55.164 54.000 -0.059 0.000 0.839 517 D CB -0.320 40.572 40.800 0.154 0.000 0.948 517 D HN 0.336 nan 8.370 nan 0.000 0.460 518 M N -0.306 118.863 119.600 -0.720 0.000 2.132 518 M HA -0.185 4.295 4.480 -0.000 0.000 0.263 518 M C 2.042 177.916 176.300 -0.709 0.000 1.065 518 M CA 1.155 55.677 55.300 -1.296 0.000 1.122 518 M CB 0.004 32.064 32.600 -0.900 0.000 1.365 518 M HN -0.048 nan 8.290 nan 0.000 0.411 519 M N 0.585 119.903 119.600 -0.470 0.000 2.073 519 M HA -0.178 4.302 4.480 -0.000 0.000 0.258 519 M C 1.815 177.903 176.300 -0.353 0.000 1.070 519 M CA 2.539 57.571 55.300 -0.446 0.000 1.103 519 M CB -1.058 31.366 32.600 -0.295 0.000 1.321 519 M HN 0.296 nan 8.290 nan 0.000 0.405 520 T N -0.059 114.354 114.554 -0.235 0.000 2.720 520 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 520 T C 1.518 176.136 174.700 -0.137 0.000 1.037 520 T CA 1.785 63.797 62.100 -0.145 0.000 1.144 520 T CB -0.642 68.184 68.868 -0.069 0.000 0.864 520 T HN 0.519 nan 8.240 nan 0.000 0.444 521 D N 0.541 120.850 120.400 -0.152 0.000 2.149 521 D HA -0.077 4.563 4.640 -0.000 0.000 0.198 521 D C 2.031 178.302 176.300 -0.049 0.000 0.990 521 D CA 0.884 54.901 54.000 0.029 0.000 0.839 521 D CB -0.227 40.686 40.800 0.189 0.000 0.948 521 D HN 0.312 nan 8.370 nan 0.000 0.460 522 M N -0.642 118.696 119.600 -0.438 0.000 2.132 522 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 522 M C 1.961 177.961 176.300 -0.499 0.000 1.065 522 M CA 1.228 56.018 55.300 -0.849 0.000 1.122 522 M CB -0.118 31.730 32.600 -1.253 0.000 1.365 522 M HN 0.163 nan 8.290 nan 0.000 0.411 523 C N -0.286 118.822 119.300 -0.319 0.000 2.429 523 C HA -0.105 4.355 4.460 -0.000 0.000 0.277 523 C C 2.668 177.553 174.990 -0.174 0.000 1.262 523 C CA 0.823 59.755 59.018 -0.143 0.000 1.733 523 C CB -0.953 26.757 27.740 -0.050 0.000 2.010 523 C HN 0.491 nan 8.230 nan 0.000 0.483 524 V N 0.412 120.255 119.914 -0.119 0.000 2.323 524 V HA -0.246 3.874 4.120 -0.000 0.000 0.244 524 V C 2.390 178.450 176.094 -0.056 0.000 1.041 524 V CA 2.113 64.375 62.300 -0.065 0.000 1.025 524 V CB -0.624 31.214 31.823 0.025 0.000 0.656 524 V HN 0.578 nan 8.190 nan 0.000 0.451 525 M N 0.706 120.310 119.600 0.006 0.000 2.132 525 M HA -0.155 4.325 4.480 -0.000 0.000 0.263 525 M C 2.447 178.607 176.300 -0.234 0.000 1.065 525 M CA 2.294 57.667 55.300 0.122 0.000 1.122 525 M CB -0.182 32.647 32.600 0.382 0.000 1.365 525 M HN 0.546 nan 8.290 nan 0.000 0.411 526 S N 0.491 115.743 115.700 -0.747 0.000 2.419 526 S HA -0.043 4.427 4.470 -0.000 0.000 0.233 526 S C 1.978 176.195 174.600 -0.639 0.000 1.016 526 S CA 0.925 58.317 58.200 -1.348 0.000 0.974 526 S CB -0.807 61.353 63.200 -1.732 0.000 0.786 526 S HN 0.568 nan 8.310 nan 0.000 0.492 527 A N 2.205 124.748 122.820 -0.461 0.000 2.019 527 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 527 A C 2.183 179.641 177.584 -0.210 0.000 1.164 527 A CA 1.438 53.262 52.037 -0.356 0.000 0.644 527 A CB -0.569 18.250 19.000 -0.302 0.000 0.805 527 A HN 0.651 nan 8.150 nan 0.000 0.449 528 K N -0.641 119.675 120.400 -0.139 0.000 2.283 528 K HA 0.000 4.320 4.320 -0.000 0.000 0.202 528 K C 1.244 177.837 176.600 -0.012 0.000 1.048 528 K CA 0.896 57.150 56.287 -0.054 0.000 0.948 528 K CB -0.056 32.448 32.500 0.007 0.000 0.742 528 K HN 0.425 nan 8.250 nan 0.000 0.458 529 I N -0.602 119.976 120.570 0.013 0.000 2.927 529 I HA 0.134 4.304 4.170 -0.000 0.000 0.268 529 I C 1.123 177.257 176.117 0.028 0.000 1.153 529 I CA 0.580 61.937 61.300 0.094 0.000 1.459 529 I CB -0.041 38.155 38.000 0.327 0.000 1.149 529 I HN 0.122 nan 8.210 nan 0.000 0.443 530 G N -0.539 108.224 108.800 -0.062 0.000 2.328 530 G HA2 0.421 4.381 3.960 -0.000 0.000 0.295 530 G HA3 0.421 4.381 3.960 -0.000 0.000 0.295 530 G C -0.581 174.183 174.900 -0.226 0.000 1.413 530 G CA -0.231 44.810 45.100 -0.098 0.000 0.817 530 G HN 0.275 nan 8.290 nan 0.000 0.546 531 G N -1.049 107.617 108.800 -0.222 0.000 2.606 531 G HA2 0.542 4.502 3.960 -0.000 0.000 0.252 531 G HA3 0.542 4.502 3.960 -0.000 0.000 0.252 531 G C -0.140 174.595 174.900 -0.275 0.000 1.206 531 G CA -0.452 44.440 45.100 -0.347 0.000 0.861 531 G HN 0.484 nan 8.290 nan 0.000 0.561 532 F N -0.660 119.204 119.950 -0.145 0.000 2.553 532 F HA 0.190 4.717 4.527 -0.000 0.000 0.356 532 F C 0.713 176.459 175.800 -0.091 0.000 1.142 532 F CA -0.718 57.191 58.000 -0.151 0.000 1.322 532 F CB 0.562 39.462 39.000 -0.166 0.000 1.126 532 F HN 0.162 nan 8.300 nan 0.000 0.599 533 L N 5.699 127.000 121.223 0.130 0.000 2.313 533 L HA 0.406 4.746 4.340 -0.000 0.000 0.282 533 L C -2.381 174.536 176.870 0.079 0.000 1.092 533 L CA -2.117 52.771 54.840 0.080 0.000 0.831 533 L CB 0.098 42.196 42.059 0.066 0.000 1.159 533 L HN 0.283 nan 8.230 nan 0.000 0.442 534 P HA 0.174 nan 4.420 nan 0.000 0.264 534 P C 0.627 177.976 177.300 0.081 0.000 1.183 534 P CA 1.117 64.256 63.100 0.065 0.000 0.763 534 P CB 0.606 32.340 31.700 0.056 0.000 0.807 535 G N 2.144 110.986 108.800 0.070 0.000 2.225 535 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.254 535 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.254 535 G C 0.491 175.470 174.900 0.133 0.000 0.988 535 G CA 0.263 45.423 45.100 0.101 0.000 0.625 535 G HN 0.528 nan 8.290 nan 0.000 0.527 536 S N 0.697 116.447 115.700 0.084 0.000 2.474 536 S HA 0.526 4.996 4.470 -0.000 0.000 0.224 536 S C 0.408 174.918 174.600 -0.151 0.000 1.209 536 S CA -0.540 57.697 58.200 0.060 0.000 1.212 536 S CB 0.314 63.527 63.200 0.022 0.000 1.137 536 S HN 0.458 nan 8.310 nan 0.000 0.446 537 L N 2.207 123.331 121.223 -0.164 0.000 2.453 537 L HA 0.396 4.736 4.340 -0.000 0.000 0.261 537 L C -2.202 174.373 176.870 -0.493 0.000 1.179 537 L CA -2.400 52.197 54.840 -0.405 0.000 0.813 537 L CB 0.046 41.938 42.059 -0.279 0.000 1.110 537 L HN 0.053 nan 8.230 nan 0.000 0.466 538 P HA 0.032 nan 4.420 nan 0.000 0.264 538 P C -1.414 175.664 177.300 -0.370 0.000 1.193 538 P CA 0.045 62.763 63.100 -0.636 0.000 0.763 538 P CB 0.441 31.685 31.700 -0.760 0.000 0.810 539 Q N 1.498 121.126 119.800 -0.286 0.000 2.522 539 Q HA 0.503 4.843 4.340 -0.000 0.000 0.285 539 Q C -1.491 174.384 176.000 -0.209 0.000 0.982 539 Q CA -0.856 54.860 55.803 -0.146 0.000 0.805 539 Q CB 0.743 29.465 28.738 -0.025 0.000 1.457 539 Q HN 0.094 nan 8.270 nan 0.000 0.394 540 F N 1.376 121.276 119.950 -0.084 0.000 2.384 540 F HA 0.368 4.895 4.527 -0.000 0.000 0.338 540 F C 0.548 176.318 175.800 -0.050 0.000 1.103 540 F CA -0.464 57.486 58.000 -0.084 0.000 1.157 540 F CB 1.164 40.103 39.000 -0.103 0.000 1.167 540 F HN 0.390 nan 8.300 nan 0.000 0.529 541 M N 2.289 121.940 119.600 0.086 0.000 2.255 541 M HA 0.192 4.672 4.480 -0.000 0.000 0.336 541 M C 0.098 176.441 176.300 0.072 0.000 1.135 541 M CA -0.659 54.662 55.300 0.035 0.000 1.145 541 M CB 0.890 33.468 32.600 -0.037 0.000 1.473 541 M HN 0.485 nan 8.290 nan 0.000 0.462 542 K N 2.087 122.504 120.400 0.029 0.000 2.561 542 K HA 0.012 4.332 4.320 -0.000 0.000 0.280 542 K C -2.230 174.395 176.600 0.040 0.000 0.975 542 K CA -0.825 55.479 56.287 0.028 0.000 1.024 542 K CB -0.035 32.456 32.500 -0.015 0.000 0.883 542 K HN 0.264 nan 8.250 nan 0.000 0.496 543 P HA -0.001 nan 4.420 nan 0.000 0.267 543 P C 0.360 177.595 177.300 -0.108 0.000 1.209 543 P CA 0.634 63.775 63.100 0.068 0.000 0.763 543 P CB 0.805 32.530 31.700 0.042 0.000 0.816 544 G N 2.547 111.287 108.800 -0.101 0.000 2.217 544 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.246 544 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.246 544 G C 0.744 175.596 174.900 -0.081 0.000 0.990 544 G CA 0.193 45.192 45.100 -0.168 0.000 0.627 544 G HN 0.524 nan 8.290 nan 0.000 0.522 545 L N 1.178 122.371 121.223 -0.050 0.000 2.187 545 L HA 0.146 4.486 4.340 -0.000 0.000 0.213 545 L C 2.824 179.677 176.870 -0.029 0.000 1.100 545 L CA 2.560 57.374 54.840 -0.044 0.000 0.765 545 L CB -0.434 41.593 42.059 -0.053 0.000 0.904 545 L HN 0.572 nan 8.230 nan 0.000 0.437 546 V N -0.111 119.791 119.914 -0.019 0.000 2.594 546 V HA -0.156 3.964 4.120 -0.000 0.000 0.253 546 V C 1.520 177.537 176.094 -0.128 0.000 1.069 546 V CA 1.042 63.315 62.300 -0.045 0.000 1.082 546 V CB -0.368 31.473 31.823 0.031 0.000 0.680 546 V HN 0.482 nan 8.190 nan 0.000 0.469 547 L N 0.487 121.701 121.223 -0.015 0.000 3.677 547 L HA -0.251 4.089 4.340 -0.000 0.000 0.464 547 L C 0.293 177.306 176.870 0.238 0.000 1.278 547 L CA 0.938 55.828 54.840 0.084 0.000 0.806 547 L CB -2.472 39.661 42.059 0.124 0.000 1.610 547 L HN 0.579 nan 8.230 nan 0.000 0.867 548 H N -0.656 118.520 119.070 0.178 0.000 2.492 548 H HA 0.274 4.830 4.556 -0.000 0.000 0.264 548 H C 0.485 175.953 175.328 0.234 0.000 1.150 548 H CA -1.159 55.033 56.048 0.240 0.000 0.962 548 H CB 0.716 30.662 29.762 0.307 0.000 1.766 548 H HN 0.210 nan 8.280 nan 0.000 0.589 549 L N 2.083 123.451 121.223 0.242 0.000 2.601 549 L HA 0.144 4.484 4.340 -0.000 0.000 0.277 549 L C 0.630 177.627 176.870 0.212 0.000 1.219 549 L CA 0.809 55.740 54.840 0.153 0.000 0.915 549 L CB 0.199 42.315 42.059 0.094 0.000 1.160 549 L HN 0.318 nan 8.230 nan 0.000 0.494 550 G N 2.032 110.966 108.800 0.223 0.000 2.658 550 G HA2 0.550 4.510 3.960 -0.000 0.000 0.292 550 G HA3 0.550 4.510 3.960 -0.000 0.000 0.292 550 G C 0.308 175.308 174.900 0.167 0.000 1.320 550 G CA -0.261 44.996 45.100 0.261 0.000 0.933 550 G HN 1.309 nan 8.290 nan 0.000 0.476 551 G N -1.113 107.753 108.800 0.111 0.000 2.179 551 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.260 551 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.260 551 G C 1.330 176.288 174.900 0.096 0.000 0.977 551 G CA 1.516 46.688 45.100 0.120 0.000 0.641 551 G HN 1.845 nan 8.290 nan 0.000 0.533 552 T N -1.948 112.610 114.554 0.007 0.000 2.951 552 T HA 0.147 4.497 4.350 -0.000 0.000 0.268 552 T C 1.070 175.851 174.700 0.135 0.000 1.073 552 T CA 1.853 64.001 62.100 0.081 0.000 1.134 552 T CB -0.253 68.673 68.868 0.097 0.000 0.884 552 T HN 1.484 nan 8.240 nan 0.000 0.479 553 H N 0.030 119.173 119.070 0.122 0.000 2.597 553 H HA 0.489 5.045 4.556 -0.000 0.000 0.225 553 H C -0.157 175.213 175.328 0.071 0.000 1.422 553 H CA -1.358 54.738 56.048 0.081 0.000 1.335 553 H CB -0.286 29.491 29.762 0.024 0.000 1.783 553 H HN 0.374 nan 8.280 nan 0.000 0.513 554 R N 0.861 121.444 120.500 0.139 0.000 2.582 554 R HA 0.356 4.696 4.340 -0.000 0.000 0.271 554 R C -0.342 176.017 176.300 0.099 0.000 1.078 554 R CA -0.795 55.359 56.100 0.091 0.000 1.127 554 R CB 1.070 31.418 30.300 0.079 0.000 1.038 554 R HN 0.477 nan 8.270 nan 0.000 0.500 555 M N 1.350 120.984 119.600 0.057 0.000 2.314 555 M HA 0.478 4.958 4.480 -0.000 0.000 0.342 555 M C -0.599 175.700 176.300 -0.002 0.000 1.171 555 M CA 0.128 55.439 55.300 0.018 0.000 1.098 555 M CB 1.679 34.265 32.600 -0.023 0.000 1.559 555 M HN 0.949 nan 8.290 nan 0.000 0.459 556 G N 2.057 110.865 108.800 0.013 0.000 2.550 556 G HA2 0.408 4.368 3.960 -0.000 0.000 0.293 556 G HA3 0.408 4.368 3.960 -0.000 0.000 0.293 556 G C -0.908 174.002 174.900 0.016 0.000 1.402 556 G CA -0.696 44.368 45.100 -0.061 0.000 0.784 556 G HN 0.681 nan 8.290 nan 0.000 0.482 557 F N -0.025 120.027 119.950 0.170 0.000 2.163 557 F HA 0.217 4.744 4.527 -0.000 0.000 0.297 557 F C 1.257 177.189 175.800 0.219 0.000 1.094 557 F CA 1.140 59.242 58.000 0.171 0.000 1.290 557 F CB 0.498 39.556 39.000 0.097 0.000 1.017 557 F HN 0.289 nan 8.300 nan 0.000 0.483 558 D N -0.350 120.207 120.400 0.262 0.000 2.757 558 D HA 0.056 4.696 4.640 -0.000 0.000 0.249 558 D C 0.620 176.763 176.300 -0.262 0.000 1.168 558 D CA -0.109 53.890 54.000 -0.002 0.000 0.870 558 D CB 1.802 42.617 40.800 0.025 0.000 1.411 558 D HN 0.185 nan 8.370 nan 0.000 0.525 559 E N 3.362 123.057 120.200 -0.841 0.000 2.070 559 E HA -0.247 4.103 4.350 -0.000 0.000 0.197 559 E C 1.512 177.925 176.600 -0.313 0.000 1.004 559 E CA 1.391 57.265 56.400 -0.876 0.000 0.805 559 E CB 0.323 29.367 29.700 -1.093 0.000 0.744 559 E HN 0.425 nan 8.360 nan 0.000 0.451 560 K N 0.159 120.426 120.400 -0.221 0.000 2.021 560 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 560 K C 1.989 178.554 176.600 -0.059 0.000 1.047 560 K CA 1.474 57.701 56.287 -0.099 0.000 0.943 560 K CB 0.069 32.527 32.500 -0.070 0.000 0.725 560 K HN 0.086 nan 8.250 nan 0.000 0.439 561 E N 0.198 120.368 120.200 -0.049 0.000 2.208 561 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 561 E C 0.738 177.334 176.600 -0.007 0.000 0.988 561 E CA 0.933 57.327 56.400 -0.011 0.000 0.828 561 E CB 0.170 29.877 29.700 0.012 0.000 0.763 561 E HN 0.361 nan 8.360 nan 0.000 0.478 562 D N 0.116 120.505 120.400 -0.019 0.000 2.395 562 D HA 0.058 4.698 4.640 -0.000 0.000 0.213 562 D C -0.621 175.616 176.300 -0.105 0.000 1.110 562 D CA -0.020 53.965 54.000 -0.026 0.000 0.835 562 D CB 0.156 40.977 40.800 0.034 0.000 0.965 562 D HN 0.057 nan 8.370 nan 0.000 0.505 563 N N 0.604 119.240 118.700 -0.108 0.000 2.671 563 N HA -0.180 4.560 4.740 -0.000 0.000 0.261 563 N C -0.376 175.054 175.510 -0.134 0.000 1.053 563 N CA 0.574 53.537 53.050 -0.146 0.000 0.732 563 N CB -1.429 36.850 38.487 -0.345 0.000 0.887 563 N HN 0.398 nan 8.380 nan 0.000 0.546 564 C N -3.272 116.026 119.300 -0.005 0.000 3.285 564 C HA 0.777 5.237 4.460 -0.000 0.000 0.320 564 C C 1.357 176.518 174.990 0.285 0.000 1.411 564 C CA -0.677 58.416 59.018 0.124 0.000 1.429 564 C CB 1.573 29.408 27.740 0.158 0.000 1.812 564 C HN 0.499 nan 8.230 nan 0.000 0.454 565 C N 0.307 119.810 119.300 0.339 0.000 2.937 565 C HA 0.492 4.952 4.460 -0.000 0.000 0.426 565 C C 0.679 175.786 174.990 0.194 0.000 1.321 565 C CA 0.631 59.845 59.018 0.327 0.000 2.082 565 C CB -0.286 27.570 27.740 0.194 0.000 2.834 565 C HN 0.966 nan 8.230 nan 0.000 0.593 566 V N 1.279 121.187 119.914 -0.010 0.000 2.914 566 V HA 0.692 4.812 4.120 -0.000 0.000 0.314 566 V C -0.721 175.036 176.094 -0.562 0.000 1.084 566 V CA -0.673 61.383 62.300 -0.408 0.000 0.963 566 V CB 1.500 33.206 31.823 -0.194 0.000 1.025 566 V HN 0.406 nan 8.190 nan 0.000 0.432 567 N N 1.206 119.393 118.700 -0.854 0.000 2.374 567 N HA 0.234 4.974 4.740 -0.000 0.000 0.284 567 N C 1.082 176.449 175.510 -0.238 0.000 1.280 567 N CA 0.301 53.072 53.050 -0.465 0.000 0.963 567 N CB -0.142 38.090 38.487 -0.425 0.000 1.141 567 N HN 0.938 nan 8.380 nan 0.000 0.565 568 T N -4.752 109.711 114.554 -0.151 0.000 3.113 568 T HA 0.011 4.361 4.350 -0.000 0.000 0.263 568 T C 0.139 174.763 174.700 -0.127 0.000 1.143 568 T CA 0.641 62.655 62.100 -0.143 0.000 1.090 568 T CB -0.362 68.444 68.868 -0.103 0.000 0.922 568 T HN 0.428 nan 8.240 nan 0.000 0.521 569 D N 1.115 121.430 120.400 -0.141 0.000 2.328 569 D HA 0.179 4.819 4.640 -0.000 0.000 0.221 569 D C 0.549 176.854 176.300 0.008 0.000 1.072 569 D CA 0.125 54.058 54.000 -0.111 0.000 0.850 569 D CB 0.063 40.677 40.800 -0.311 0.000 0.922 569 D HN 0.331 nan 8.370 nan 0.000 0.516 570 S N 0.269 115.942 115.700 -0.045 0.000 3.561 570 S HA -0.256 4.214 4.470 -0.000 0.000 0.318 570 S C 0.513 175.101 174.600 -0.019 0.000 1.181 570 S CA 0.414 58.622 58.200 0.012 0.000 0.916 570 S CB -1.360 61.920 63.200 0.134 0.000 0.966 570 S HN 0.453 nan 8.310 nan 0.000 0.550 571 R N 1.018 121.370 120.500 -0.247 0.000 2.297 571 R HA 0.475 4.815 4.340 -0.000 0.000 0.308 571 R C -0.072 175.910 176.300 -0.531 0.000 1.029 571 R CA -0.474 55.285 56.100 -0.568 0.000 0.929 571 R CB 0.748 30.672 30.300 -0.627 0.000 1.046 571 R HN 0.142 nan 8.270 nan 0.000 0.461 572 V N 6.296 125.934 119.914 -0.459 0.000 2.485 572 V HA 0.007 4.127 4.120 -0.000 0.000 0.287 572 V C 0.201 176.236 176.094 -0.099 0.000 1.022 572 V CA 0.235 62.358 62.300 -0.296 0.000 1.067 572 V CB -0.196 31.433 31.823 -0.324 0.000 0.967 572 V HN 0.569 nan 8.190 nan 0.000 0.479 573 F N 3.681 123.666 119.950 0.059 0.000 2.629 573 F HA 0.351 4.878 4.527 -0.000 0.000 0.369 573 F C 1.658 177.586 175.800 0.214 0.000 1.125 573 F CA 1.636 59.697 58.000 0.102 0.000 1.330 573 F CB -0.084 38.970 39.000 0.091 0.000 1.071 573 F HN 0.786 nan 8.300 nan 0.000 0.595 574 G N 1.923 110.912 108.800 0.314 0.000 2.284 574 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.261 574 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.261 574 G C -0.078 174.761 174.900 -0.101 0.000 0.997 574 G CA -0.230 44.937 45.100 0.113 0.000 0.621 574 G HN 0.455 nan 8.290 nan 0.000 0.534 575 F N 1.091 121.062 119.950 0.035 0.000 2.426 575 F HA 0.549 5.076 4.527 -0.000 0.000 0.348 575 F C 1.476 177.258 175.800 -0.030 0.000 1.124 575 F CA -0.931 57.075 58.000 0.010 0.000 1.008 575 F CB 1.614 40.615 39.000 0.003 0.000 1.139 575 F HN -0.206 nan 8.300 nan 0.000 0.452 576 K N 1.671 122.158 120.400 0.144 0.000 2.209 576 K HA -0.110 4.210 4.320 -0.000 0.000 0.204 576 K C 0.619 177.416 176.600 0.329 0.000 1.048 576 K CA 1.225 57.639 56.287 0.212 0.000 0.940 576 K CB -0.009 32.624 32.500 0.221 0.000 0.729 576 K HN 0.643 nan 8.250 nan 0.000 0.451 577 N N -0.128 118.727 118.700 0.258 0.000 2.390 577 N HA 0.042 4.782 4.740 -0.000 0.000 0.259 577 N C -0.841 174.775 175.510 0.176 0.000 1.395 577 N CA -0.319 52.940 53.050 0.347 0.000 0.852 577 N CB -0.089 38.657 38.487 0.431 0.000 1.371 577 N HN -0.057 nan 8.380 nan 0.000 0.491 578 L N 0.649 121.742 121.223 -0.217 0.000 2.376 578 L HA 0.719 5.059 4.340 -0.000 0.000 0.275 578 L C -1.873 174.590 176.870 -0.678 0.000 0.987 578 L CA -0.583 54.104 54.840 -0.254 0.000 0.828 578 L CB 1.035 42.942 42.059 -0.254 0.000 1.249 578 L HN -0.016 nan 8.230 nan 0.000 0.409 579 F N 4.852 124.719 119.950 -0.137 0.000 2.563 579 F HA 0.660 5.187 4.527 -0.000 0.000 0.316 579 F C -0.599 175.051 175.800 -0.250 0.000 1.076 579 F CA -0.699 57.201 58.000 -0.167 0.000 0.921 579 F CB 1.864 40.795 39.000 -0.115 0.000 1.209 579 F HN 0.182 nan 8.300 nan 0.000 0.462 580 L N 1.948 123.127 121.223 -0.072 0.000 2.346 580 L HA 0.870 5.210 4.340 -0.000 0.000 0.276 580 L C 0.112 176.989 176.870 0.011 0.000 1.006 580 L CA -0.795 53.935 54.840 -0.183 0.000 0.817 580 L CB 1.858 43.659 42.059 -0.429 0.000 1.272 580 L HN 0.791 nan 8.230 nan 0.000 0.421 581 G N 0.400 109.219 108.800 0.031 0.000 2.482 581 G HA2 0.796 4.756 3.960 -0.000 0.000 0.317 581 G HA3 0.796 4.756 3.960 -0.000 0.000 0.317 581 G C -0.492 174.528 174.900 0.199 0.000 1.241 581 G CA -0.288 44.929 45.100 0.195 0.000 0.967 581 G HN 0.958 nan 8.290 nan 0.000 0.482 582 G N -1.268 107.641 108.800 0.183 0.000 2.353 582 G HA2 0.064 4.024 3.960 -0.000 0.000 0.424 582 G HA3 0.064 4.024 3.960 -0.000 0.000 0.424 582 G C 0.737 175.689 174.900 0.086 0.000 1.320 582 G CA 0.045 45.228 45.100 0.138 0.000 0.995 582 G HN 1.136 nan 8.290 nan 0.000 0.580 583 C N 0.596 119.924 119.300 0.046 0.000 2.419 583 C HA 0.180 4.640 4.460 -0.000 0.000 0.283 583 C C 3.011 177.983 174.990 -0.030 0.000 1.373 583 C CA 1.839 60.866 59.018 0.014 0.000 1.781 583 C CB -1.342 26.438 27.740 0.067 0.000 1.886 583 C HN 1.251 nan 8.230 nan 0.000 0.520 584 G N 1.092 109.785 108.800 -0.178 0.000 2.470 584 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.220 584 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.220 584 G C 1.424 175.977 174.900 -0.578 0.000 1.121 584 G CA 0.695 45.418 45.100 -0.627 0.000 0.766 584 G HN 0.546 nan 8.290 nan 0.000 0.553 585 N N 0.322 118.896 118.700 -0.210 0.000 2.396 585 N HA 0.023 4.763 4.740 -0.000 0.000 0.180 585 N C 0.857 176.383 175.510 0.027 0.000 1.028 585 N CA 0.193 53.257 53.050 0.022 0.000 0.893 585 N CB 0.053 38.604 38.487 0.106 0.000 0.967 585 N HN 0.307 nan 8.380 nan 0.000 0.440 586 I N 2.770 123.359 120.570 0.031 0.000 2.452 586 I HA 0.058 4.228 4.170 -0.000 0.000 0.287 586 I C -1.358 174.856 176.117 0.162 0.000 1.079 586 I CA -1.137 60.215 61.300 0.087 0.000 1.387 586 I CB 1.449 39.469 38.000 0.033 0.000 1.404 586 I HN -0.075 nan 8.210 nan 0.000 0.522 587 P HA 0.069 nan 4.420 nan 0.000 0.267 587 P C 0.194 177.582 177.300 0.147 0.000 1.289 587 P CA 0.229 63.400 63.100 0.118 0.000 0.866 587 P CB 0.261 31.991 31.700 0.051 0.000 1.309 588 T N -2.240 112.438 114.554 0.208 0.000 2.923 588 T HA 0.705 5.055 4.350 -0.000 0.000 0.281 588 T C 0.110 174.926 174.700 0.193 0.000 0.995 588 T CA -0.904 61.300 62.100 0.173 0.000 0.985 588 T CB 1.299 70.253 68.868 0.144 0.000 1.114 588 T HN 0.049 nan 8.240 nan 0.000 0.548 589 A N 1.682 124.550 122.820 0.080 0.000 2.302 589 A HA 0.622 4.942 4.320 -0.000 0.000 0.295 589 A C -0.709 176.818 177.584 -0.096 0.000 1.235 589 A CA -0.836 51.190 52.037 -0.017 0.000 0.876 589 A CB -0.797 18.224 19.000 0.036 0.000 1.133 589 A HN 0.879 nan 8.150 nan 0.000 0.533 590 Y N -0.388 119.816 120.300 -0.160 0.000 2.477 590 Y HA 0.703 5.253 4.550 -0.000 0.000 0.347 590 Y C 0.724 176.484 175.900 -0.233 0.000 0.981 590 Y CA -0.682 57.128 58.100 -0.484 0.000 1.033 590 Y CB 1.404 39.355 38.460 -0.848 0.000 1.245 590 Y HN 0.407 nan 8.280 nan 0.000 0.455 591 G N 0.594 109.305 108.800 -0.147 0.000 2.709 591 G HA2 0.396 4.355 3.960 -0.000 0.000 0.208 591 G HA3 0.396 4.355 3.960 -0.000 0.000 0.208 591 G C 0.452 175.440 174.900 0.147 0.000 1.129 591 G CA 0.223 45.442 45.100 0.197 0.000 0.793 591 G HN 0.947 nan 8.290 nan 0.000 0.524 592 A N 0.643 123.363 122.820 -0.167 0.000 2.296 592 A HA 0.511 4.831 4.320 -0.000 0.000 0.264 592 A C -0.139 177.332 177.584 -0.189 0.000 1.097 592 A CA -0.514 51.306 52.037 -0.360 0.000 0.811 592 A CB 0.102 18.884 19.000 -0.364 0.000 1.072 592 A HN 0.337 nan 8.150 nan 0.000 0.495 593 N N 1.479 119.946 118.700 -0.390 0.000 2.475 593 N HA 0.277 5.017 4.740 -0.000 0.000 0.267 593 N C -2.062 173.325 175.510 -0.204 0.000 1.169 593 N CA -1.021 51.763 53.050 -0.444 0.000 0.947 593 N CB 0.627 38.941 38.487 -0.289 0.000 1.061 593 N HN 0.394 nan 8.380 nan 0.000 0.466 594 P HA -0.021 nan 4.420 nan 0.000 0.235 594 P C 0.531 177.716 177.300 -0.193 0.000 1.177 594 P CA 0.700 63.668 63.100 -0.219 0.000 0.785 594 P CB 0.279 31.814 31.700 -0.276 0.000 0.885 595 T N 1.074 115.592 114.554 -0.060 0.000 2.720 595 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 595 T C 1.779 176.556 174.700 0.128 0.000 1.037 595 T CA 1.121 63.250 62.100 0.048 0.000 1.144 595 T CB -0.884 68.037 68.868 0.089 0.000 0.864 595 T HN 0.026 nan 8.240 nan 0.000 0.444 596 L N 1.003 122.319 121.223 0.155 0.000 2.046 596 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 596 L C 2.551 179.489 176.870 0.113 0.000 1.077 596 L CA 1.770 56.751 54.840 0.235 0.000 0.747 596 L CB -1.058 41.128 42.059 0.211 0.000 0.896 596 L HN 0.202 nan 8.230 nan 0.000 0.432 597 T N -0.406 114.085 114.554 -0.104 0.000 2.746 597 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 597 T C 1.915 176.531 174.700 -0.140 0.000 1.039 597 T CA 1.231 63.189 62.100 -0.238 0.000 1.142 597 T CB -0.507 67.799 68.868 -0.936 0.000 0.866 597 T HN 0.519 nan 8.240 nan 0.000 0.444 598 A N 1.575 124.315 122.820 -0.133 0.000 1.908 598 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 598 A C 2.320 179.867 177.584 -0.062 0.000 1.181 598 A CA 1.951 53.949 52.037 -0.066 0.000 0.627 598 A CB -0.777 18.203 19.000 -0.032 0.000 0.818 598 A HN 0.525 nan 8.150 nan 0.000 0.445 599 M N -0.283 119.287 119.600 -0.051 0.000 2.108 599 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 599 M C 2.154 178.355 176.300 -0.166 0.000 1.066 599 M CA 2.184 57.422 55.300 -0.104 0.000 1.107 599 M CB -0.153 32.387 32.600 -0.100 0.000 1.356 599 M HN 0.379 nan 8.290 nan 0.000 0.406 600 S N 0.976 116.582 115.700 -0.157 0.000 2.368 600 S HA -0.110 4.360 4.470 -0.000 0.000 0.225 600 S C 1.738 176.143 174.600 -0.326 0.000 1.030 600 S CA 1.334 59.376 58.200 -0.263 0.000 0.999 600 S CB -0.493 62.511 63.200 -0.326 0.000 0.844 600 S HN 0.498 nan 8.310 nan 0.000 0.459 601 L N 1.156 122.229 121.223 -0.250 0.000 2.046 601 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 601 L C 2.813 179.543 176.870 -0.233 0.000 1.077 601 L CA 1.215 55.910 54.840 -0.243 0.000 0.747 601 L CB -0.734 41.253 42.059 -0.119 0.000 0.896 601 L HN 0.322 nan 8.230 nan 0.000 0.432 602 A N 0.339 123.018 122.820 -0.235 0.000 1.908 602 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 602 A C 2.224 179.484 177.584 -0.539 0.000 1.181 602 A CA 1.645 53.424 52.037 -0.431 0.000 0.627 602 A CB -0.710 18.033 19.000 -0.428 0.000 0.818 602 A HN 0.369 nan 8.150 nan 0.000 0.445 603 I N -0.627 119.718 120.570 -0.376 0.000 2.163 603 I HA -0.292 3.878 4.170 -0.000 0.000 0.243 603 I C 2.552 178.502 176.117 -0.280 0.000 1.085 603 I CA 1.974 63.087 61.300 -0.312 0.000 1.347 603 I CB -0.287 37.542 38.000 -0.286 0.000 1.044 603 I HN 0.391 nan 8.210 nan 0.000 0.408 604 K N 0.570 120.802 120.400 -0.280 0.000 2.063 604 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 604 K C 2.356 178.868 176.600 -0.146 0.000 1.048 604 K CA 1.859 58.014 56.287 -0.219 0.000 0.928 604 K CB -0.145 32.194 32.500 -0.270 0.000 0.713 604 K HN 0.115 nan 8.250 nan 0.000 0.442 605 S N -0.094 115.501 115.700 -0.176 0.000 2.359 605 S HA -0.179 4.291 4.470 -0.000 0.000 0.224 605 S C 2.019 176.525 174.600 -0.158 0.000 1.035 605 S CA 1.528 59.665 58.200 -0.104 0.000 1.018 605 S CB -0.480 62.695 63.200 -0.042 0.000 0.876 605 S HN 0.583 nan 8.310 nan 0.000 0.448 606 C N 1.383 120.508 119.300 -0.293 0.000 2.435 606 C HA 0.030 4.490 4.460 -0.000 0.000 0.279 606 C C 2.479 177.383 174.990 -0.143 0.000 1.321 606 C CA 0.540 59.400 59.018 -0.263 0.000 1.752 606 C CB -1.458 26.092 27.740 -0.317 0.000 1.959 606 C HN 0.673 nan 8.230 nan 0.000 0.500 607 E N -0.503 119.637 120.200 -0.100 0.000 2.072 607 E HA -0.234 4.116 4.350 -0.000 0.000 0.191 607 E C 1.827 178.431 176.600 0.007 0.000 0.985 607 E CA 1.360 57.732 56.400 -0.046 0.000 0.801 607 E CB -0.285 29.384 29.700 -0.051 0.000 0.750 607 E HN 0.831 nan 8.360 nan 0.000 0.452 608 Y N 1.145 121.407 120.300 -0.063 0.000 2.145 608 Y HA -0.206 4.344 4.550 -0.000 0.000 0.286 608 Y C 1.962 177.888 175.900 0.044 0.000 1.145 608 Y CA 1.453 59.560 58.100 0.011 0.000 1.148 608 Y CB -0.052 38.453 38.460 0.075 0.000 0.981 608 Y HN -0.060 nan 8.280 nan 0.000 0.507 609 I N 0.407 121.013 120.570 0.060 0.000 2.179 609 I HA -0.333 3.837 4.170 -0.000 0.000 0.242 609 I C 2.297 178.443 176.117 0.049 0.000 1.088 609 I CA 1.651 62.967 61.300 0.025 0.000 1.357 609 I CB -0.397 37.402 38.000 -0.335 0.000 1.051 609 I HN 0.159 nan 8.210 nan 0.000 0.409 610 K N 0.367 120.753 120.400 -0.023 0.000 2.152 610 K HA -0.203 4.117 4.320 -0.000 0.000 0.206 610 K C 1.963 178.601 176.600 0.063 0.000 1.048 610 K CA 1.176 57.520 56.287 0.095 0.000 0.933 610 K CB -0.142 32.398 32.500 0.067 0.000 0.721 610 K HN 0.476 nan 8.250 nan 0.000 0.447 611 Q N -0.247 119.515 119.800 -0.063 0.000 2.432 611 Q HA 0.027 4.367 4.340 -0.000 0.000 0.205 611 Q C 0.926 176.801 176.000 -0.209 0.000 0.945 611 Q CA 0.563 56.288 55.803 -0.129 0.000 0.924 611 Q CB 0.338 28.971 28.738 -0.175 0.000 1.016 611 Q HN 0.344 nan 8.270 nan 0.000 0.503 612 N N -0.992 117.555 118.700 -0.255 0.000 2.168 612 N HA 0.146 4.886 4.740 -0.000 0.000 0.216 612 N C -0.766 174.345 175.510 -0.665 0.000 1.259 612 N CA 0.221 52.980 53.050 -0.484 0.000 0.902 612 N CB 0.985 39.022 38.487 -0.750 0.000 1.079 612 N HN -0.011 nan 8.380 nan 0.000 0.507 613 F N 0.562 120.529 119.950 0.028 0.000 2.565 613 F HA 0.384 4.911 4.527 -0.000 0.000 0.313 613 F C 0.164 176.091 175.800 0.212 0.000 1.091 613 F CA -0.668 57.408 58.000 0.126 0.000 0.915 613 F CB 1.899 40.986 39.000 0.145 0.000 1.208 613 F HN -0.393 nan 8.300 nan 0.000 0.453 614 T N 3.458 118.190 114.554 0.297 0.000 2.795 614 T HA 0.431 4.781 4.350 -0.000 0.000 0.282 614 T C -2.588 172.129 174.700 0.028 0.000 0.980 614 T CA -1.460 60.707 62.100 0.112 0.000 1.012 614 T CB 1.265 70.158 68.868 0.042 0.000 0.936 614 T HN 0.134 nan 8.240 nan 0.000 0.457 615 P HA 0.162 nan 4.420 nan 0.000 0.269 615 P C -0.140 177.070 177.300 -0.151 0.000 1.209 615 P CA -0.501 62.332 63.100 -0.445 0.000 0.776 615 P CB 0.294 31.569 31.700 -0.708 0.000 0.876 616 S N 2.767 118.421 115.700 -0.076 0.000 2.572 616 S HA 0.299 4.768 4.470 -0.000 0.000 0.279 616 S C -2.187 172.391 174.600 -0.036 0.000 1.341 616 S CA -1.058 57.120 58.200 -0.036 0.000 1.043 616 S CB -0.806 62.378 63.200 -0.026 0.000 0.887 616 S HN 0.272 nan 8.310 nan 0.000 0.516 617 P HA 0.107 nan 4.420 nan 0.000 0.265 617 P C -0.516 176.847 177.300 0.105 0.000 1.193 617 P CA -0.345 62.779 63.100 0.040 0.000 0.765 617 P CB 0.062 31.784 31.700 0.037 0.000 0.823 618 F N 3.357 123.289 119.950 -0.031 0.000 2.519 618 F HA 0.105 4.632 4.527 -0.000 0.000 0.375 618 F C 1.108 176.899 175.800 -0.017 0.000 1.084 618 F CA -0.020 57.968 58.000 -0.020 0.000 1.147 618 F CB -0.377 38.613 39.000 -0.017 0.000 1.088 618 F HN 0.188 nan 8.300 nan 0.000 0.555 619 T N 0.000 114.857 114.554 0.504 0.000 3.816 619 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 619 T CA 0.000 62.258 62.100 0.264 0.000 1.349 619 T CB 0.000 68.941 68.868 0.122 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658