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_A 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 0.000 176.288 176.300 -0.019 0.000 1.140 43 M CA 0.000 55.352 55.300 0.087 0.000 0.988 43 M CB 0.000 32.492 32.600 -0.180 0.000 1.302 44 D N 2.137 122.539 120.400 0.003 0.000 2.319 44 D HA 0.147 4.787 4.640 -0.000 0.000 0.235 44 D C 1.106 177.346 176.300 -0.100 0.000 1.304 44 D CA 0.296 54.214 54.000 -0.136 0.000 0.894 44 D CB 0.666 41.221 40.800 -0.408 0.000 1.183 44 D HN 0.647 nan 8.370 nan 0.000 0.472 45 I N -3.687 116.807 120.570 -0.127 0.000 4.102 45 I HA 0.280 4.450 4.170 -0.000 0.000 0.325 45 I C -0.100 175.993 176.117 -0.040 0.000 1.471 45 I CA -0.586 60.710 61.300 -0.007 0.000 1.133 45 I CB 0.003 38.020 38.000 0.028 0.000 1.184 45 I HN -0.047 nan 8.210 nan 0.000 0.451 46 K N 1.100 121.335 120.400 -0.277 0.000 2.413 46 K HA 0.639 4.959 4.320 -0.000 0.000 0.257 46 K C -1.911 174.367 176.600 -0.537 0.000 0.946 46 K CA -0.562 55.582 56.287 -0.238 0.000 0.823 46 K CB 0.892 33.304 32.500 -0.147 0.000 1.109 46 K HN 0.167 nan 8.250 nan 0.000 0.427 47 Y N 1.088 121.379 120.300 -0.015 0.000 2.605 47 Y HA 0.262 4.812 4.550 -0.000 0.000 0.343 47 Y C 0.738 176.613 175.900 -0.042 0.000 1.036 47 Y CA -0.753 57.329 58.100 -0.030 0.000 1.065 47 Y CB 1.954 40.393 38.460 -0.035 0.000 1.288 47 Y HN 0.591 nan 8.280 nan 0.000 0.481 48 D N 0.093 120.574 120.400 0.136 0.000 2.137 48 D HA 0.030 4.669 4.640 -0.000 0.000 0.202 48 D C -0.304 175.985 176.300 -0.019 0.000 0.970 48 D CA 1.409 55.471 54.000 0.104 0.000 0.837 48 D CB 0.307 41.249 40.800 0.236 0.000 0.981 48 D HN 0.094 nan 8.370 nan 0.000 0.475 49 V N 1.247 121.141 119.914 -0.033 0.000 2.638 49 V HA 0.368 4.487 4.120 -0.000 0.000 0.306 49 V C -0.264 175.737 176.094 -0.156 0.000 1.052 49 V CA -1.045 61.144 62.300 -0.185 0.000 0.885 49 V CB 2.472 34.151 31.823 -0.240 0.000 0.999 49 V HN -0.021 nan 8.190 nan 0.000 0.424 50 V N 2.915 122.699 119.914 -0.218 0.000 2.555 50 V HA 0.758 4.878 4.120 -0.000 0.000 0.302 50 V C -0.648 175.393 176.094 -0.087 0.000 1.038 50 V CA -0.618 61.614 62.300 -0.112 0.000 0.887 50 V CB 1.719 33.551 31.823 0.015 0.000 0.991 50 V HN 0.689 nan 8.190 nan 0.000 0.434 51 I N 4.191 124.731 120.570 -0.050 0.000 2.436 51 I HA 0.471 4.641 4.170 -0.000 0.000 0.289 51 I C -0.566 175.575 176.117 0.040 0.000 1.010 51 I CA -0.935 60.325 61.300 -0.067 0.000 1.098 51 I CB 2.254 40.197 38.000 -0.096 0.000 1.266 51 I HN 0.443 nan 8.210 nan 0.000 0.434 52 V N 5.562 125.486 119.914 0.018 0.000 2.348 52 V HA 0.766 4.886 4.120 -0.000 0.000 0.270 52 V C 0.531 176.632 176.094 0.012 0.000 1.037 52 V CA -0.265 62.067 62.300 0.052 0.000 0.872 52 V CB 0.387 32.217 31.823 0.011 0.000 1.002 52 V HN 1.069 nan 8.190 nan 0.000 0.464 53 G N 3.994 112.817 108.800 0.038 0.000 2.906 53 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.686 53 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.686 53 G C -0.030 174.884 174.900 0.023 0.000 1.170 53 G CA -0.245 44.868 45.100 0.023 0.000 0.775 53 G HN 1.300 nan 8.290 nan 0.000 0.630 54 S N 1.050 116.768 115.700 0.029 0.000 2.601 54 S HA 0.602 5.072 4.470 -0.000 0.000 0.244 54 S C 1.334 175.944 174.600 0.018 0.000 1.001 54 S CA 0.752 58.975 58.200 0.038 0.000 0.984 54 S CB 0.611 63.845 63.200 0.058 0.000 0.842 54 S HN 1.942 nan 8.310 nan 0.000 0.474 55 G N 2.707 111.507 108.800 -0.000 0.000 2.570 55 G HA2 0.377 4.337 3.960 -0.000 0.000 0.276 55 G HA3 0.377 4.337 3.960 -0.000 0.000 0.276 55 G C -1.229 173.647 174.900 -0.040 0.000 1.346 55 G CA -1.166 43.916 45.100 -0.032 0.000 1.034 55 G HN 0.257 nan 8.290 nan 0.000 0.512 56 P HA -0.029 nan 4.420 nan 0.000 0.223 56 P C 1.702 178.944 177.300 -0.097 0.000 1.151 56 P CA 0.596 63.643 63.100 -0.088 0.000 0.787 56 P CB 0.195 31.858 31.700 -0.062 0.000 0.788 57 I N 0.169 120.715 120.570 -0.040 0.000 2.277 57 I HA -0.025 4.145 4.170 -0.000 0.000 0.243 57 I C 2.671 178.842 176.117 0.090 0.000 1.094 57 I CA 1.521 62.829 61.300 0.014 0.000 1.393 57 I CB -2.280 35.753 38.000 0.056 0.000 1.078 57 I HN -0.004 nan 8.210 nan 0.000 0.417 58 G N 0.215 109.046 108.800 0.052 0.000 2.442 58 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.219 58 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.219 58 G C 1.745 176.640 174.900 -0.008 0.000 1.141 58 G CA 0.988 46.111 45.100 0.038 0.000 0.763 58 G HN 0.409 nan 8.290 nan 0.000 0.554 59 C N 0.532 119.803 119.300 -0.049 0.000 2.448 59 C HA 0.067 4.527 4.460 -0.000 0.000 0.280 59 C C 3.160 178.022 174.990 -0.212 0.000 1.398 59 C CA 1.262 60.209 59.018 -0.118 0.000 1.774 59 C CB -0.878 26.843 27.740 -0.033 0.000 1.888 59 C HN 0.447 nan 8.230 nan 0.000 0.519 60 T N 0.118 114.573 114.554 -0.165 0.000 2.708 60 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 60 T C 1.460 176.001 174.700 -0.265 0.000 1.037 60 T CA 1.650 63.620 62.100 -0.216 0.000 1.146 60 T CB -0.418 68.342 68.868 -0.181 0.000 0.865 60 T HN 0.554 nan 8.240 nan 0.000 0.435 61 Y N 1.524 121.681 120.300 -0.238 0.000 2.165 61 Y HA -0.073 4.477 4.550 -0.000 0.000 0.286 61 Y C 2.763 178.444 175.900 -0.365 0.000 1.155 61 Y CA 0.957 58.898 58.100 -0.265 0.000 1.164 61 Y CB -0.723 37.598 38.460 -0.232 0.000 0.978 61 Y HN 0.197 nan 8.280 nan 0.000 0.513 62 A N 0.186 122.806 122.820 -0.333 0.000 1.883 62 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 62 A C 2.295 179.303 177.584 -0.960 0.000 1.186 62 A CA 1.954 53.540 52.037 -0.751 0.000 0.624 62 A CB -0.784 17.503 19.000 -1.188 0.000 0.822 62 A HN 0.435 nan 8.150 nan 0.000 0.444 63 R N -0.487 119.519 120.500 -0.824 0.000 2.083 63 R HA -0.159 4.181 4.340 -0.000 0.000 0.237 63 R C 2.052 178.149 176.300 -0.338 0.000 1.137 63 R CA 1.727 57.502 56.100 -0.541 0.000 0.951 63 R CB -0.250 29.766 30.300 -0.473 0.000 0.851 63 R HN 0.574 nan 8.270 nan 0.000 0.434 64 E N 0.399 120.427 120.200 -0.287 0.000 2.072 64 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 64 E C 2.120 178.656 176.600 -0.106 0.000 0.985 64 E CA 1.193 57.498 56.400 -0.158 0.000 0.801 64 E CB -0.040 29.558 29.700 -0.169 0.000 0.750 64 E HN 0.424 nan 8.360 nan 0.000 0.452 65 L N 0.205 121.338 121.223 -0.149 0.000 2.202 65 L HA -0.055 4.285 4.340 -0.000 0.000 0.205 65 L C 2.537 179.455 176.870 0.080 0.000 1.083 65 L CA 0.234 55.049 54.840 -0.040 0.000 0.790 65 L CB -0.289 41.633 42.059 -0.229 0.000 0.942 65 L HN -0.061 nan 8.230 nan 0.000 0.452 66 V N 0.693 120.558 119.914 -0.082 0.000 2.287 66 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 66 V C 2.662 178.773 176.094 0.029 0.000 1.053 66 V CA 2.184 64.471 62.300 -0.022 0.000 1.027 66 V CB -1.311 30.430 31.823 -0.136 0.000 0.646 66 V HN 0.569 nan 8.190 nan 0.000 0.447 67 G N -0.556 108.240 108.800 -0.007 0.000 2.450 67 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.220 67 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.220 67 G C 1.444 176.367 174.900 0.037 0.000 1.130 67 G CA 0.914 46.026 45.100 0.019 0.000 0.760 67 G HN 0.661 nan 8.290 nan 0.000 0.557 68 A N -0.619 122.244 122.820 0.072 0.000 2.251 68 A HA 0.504 4.823 4.320 -0.000 0.000 0.209 68 A C 1.837 179.412 177.584 -0.015 0.000 1.187 68 A CA 1.163 53.244 52.037 0.072 0.000 0.823 68 A CB -0.298 18.808 19.000 0.178 0.000 0.846 68 A HN 1.563 nan 8.150 nan 0.000 0.486 69 G N -2.224 106.581 108.800 0.008 0.000 2.144 69 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 69 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 69 G C -0.092 174.733 174.900 -0.126 0.000 0.988 69 G CA -0.007 45.057 45.100 -0.059 0.000 0.659 69 G HN 0.377 nan 8.290 nan 0.000 0.522 70 Y N 0.436 120.728 120.300 -0.014 0.000 2.301 70 Y HA 0.471 5.021 4.550 -0.000 0.000 0.328 70 Y C 1.074 176.957 175.900 -0.027 0.000 1.242 70 Y CA -0.045 58.044 58.100 -0.019 0.000 1.323 70 Y CB 0.813 39.253 38.460 -0.032 0.000 1.266 70 Y HN 0.065 nan 8.280 nan 0.000 0.527 71 K N 2.746 123.222 120.400 0.127 0.000 2.292 71 K HA 0.407 4.726 4.320 -0.000 0.000 0.290 71 K C -1.575 175.124 176.600 0.164 0.000 1.083 71 K CA -0.139 56.198 56.287 0.084 0.000 0.918 71 K CB 0.009 32.528 32.500 0.031 0.000 1.089 71 K HN 0.486 nan 8.250 nan 0.000 0.473 72 V N 3.171 123.159 119.914 0.123 0.000 2.513 72 V HA 0.612 4.731 4.120 -0.000 0.000 0.299 72 V C -0.286 175.698 176.094 -0.183 0.000 1.035 72 V CA -0.923 61.399 62.300 0.037 0.000 0.889 72 V CB 1.457 33.348 31.823 0.112 0.000 0.988 72 V HN 0.883 nan 8.190 nan 0.000 0.440 73 A N 5.541 128.090 122.820 -0.452 0.000 2.350 73 A HA 0.941 5.260 4.320 -0.000 0.000 0.324 73 A C -0.700 176.533 177.584 -0.584 0.000 1.118 73 A CA -0.632 50.911 52.037 -0.823 0.000 0.783 73 A CB 1.642 19.773 19.000 -1.447 0.000 1.236 73 A HN 0.909 nan 8.150 nan 0.000 0.457 74 M N 2.182 121.363 119.600 -0.698 0.000 2.395 74 M HA 0.753 5.233 4.480 -0.000 0.000 0.307 74 M C -2.166 173.786 176.300 -0.580 0.000 1.091 74 M CA -0.424 54.642 55.300 -0.389 0.000 0.919 74 M CB 1.235 33.800 32.600 -0.059 0.000 1.662 74 M HN 0.600 nan 8.290 nan 0.000 0.440 75 F N 2.124 122.064 119.950 -0.016 0.000 2.508 75 F HA 0.580 5.107 4.527 -0.000 0.000 0.325 75 F C -0.204 175.593 175.800 -0.004 0.000 1.090 75 F CA -0.524 57.486 58.000 0.016 0.000 0.945 75 F CB 1.571 40.562 39.000 -0.015 0.000 1.156 75 F HN 0.456 nan 8.300 nan 0.000 0.463 76 D N 2.553 123.046 120.400 0.155 0.000 2.879 76 D HA 0.238 4.878 4.640 -0.000 0.000 0.236 76 D C 0.491 176.817 176.300 0.043 0.000 1.171 76 D CA -0.333 53.709 54.000 0.070 0.000 0.868 76 D CB 2.544 43.368 40.800 0.041 0.000 1.598 76 D HN 0.643 nan 8.370 nan 0.000 0.497 77 I N 1.890 122.439 120.570 -0.034 0.000 2.493 77 I HA 0.023 4.193 4.170 -0.000 0.000 0.254 77 I C 1.161 177.244 176.117 -0.057 0.000 1.160 77 I CA 0.808 62.046 61.300 -0.104 0.000 1.445 77 I CB 0.159 37.981 38.000 -0.296 0.000 1.086 77 I HN 0.337 nan 8.210 nan 0.000 0.433 78 G N -0.060 108.723 108.800 -0.028 0.000 2.537 78 G HA2 0.394 4.354 3.960 -0.000 0.000 0.297 78 G HA3 0.394 4.354 3.960 -0.000 0.000 0.297 78 G C -0.814 174.105 174.900 0.032 0.000 1.310 78 G CA -0.403 44.705 45.100 0.014 0.000 1.027 78 G HN 0.308 nan 8.290 nan 0.000 0.505 79 E N -1.521 118.704 120.200 0.041 0.000 2.339 79 E HA 0.376 4.726 4.350 -0.000 0.000 0.262 79 E C -0.578 176.047 176.600 0.042 0.000 0.934 79 E CA -0.794 55.631 56.400 0.042 0.000 0.802 79 E CB 2.516 32.243 29.700 0.045 0.000 1.275 79 E HN 0.261 nan 8.360 nan 0.000 0.427 80 I N 2.514 123.107 120.570 0.038 0.000 2.436 80 I HA 0.034 4.204 4.170 -0.000 0.000 0.289 80 I C -0.202 175.944 176.117 0.048 0.000 1.083 80 I CA 0.564 61.887 61.300 0.040 0.000 1.372 80 I CB 0.113 38.131 38.000 0.030 0.000 1.408 80 I HN 0.526 nan 8.210 nan 0.000 0.516 81 D N 2.712 123.147 120.400 0.059 0.000 3.120 81 D HA 0.018 4.658 4.640 -0.000 0.000 0.331 81 D C -0.087 176.268 176.300 0.092 0.000 1.595 81 D CA -0.322 53.720 54.000 0.070 0.000 0.771 81 D CB -0.187 40.652 40.800 0.065 0.000 1.274 81 D HN 0.250 nan 8.370 nan 0.000 0.503 82 S N -0.196 115.561 115.700 0.095 0.000 2.602 82 S HA 0.648 5.118 4.470 -0.000 0.000 0.240 82 S C 1.006 175.680 174.600 0.123 0.000 0.992 82 S CA -0.077 58.199 58.200 0.127 0.000 0.971 82 S CB 0.917 64.198 63.200 0.135 0.000 0.855 82 S HN 0.884 nan 8.310 nan 0.000 0.481 83 G N 1.634 110.492 108.800 0.097 0.000 2.512 83 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.210 83 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.210 83 G C 0.157 175.094 174.900 0.061 0.000 1.295 83 G CA -0.408 44.741 45.100 0.083 0.000 0.934 83 G HN 0.263 nan 8.290 nan 0.000 0.554 84 L N 0.324 121.577 121.223 0.050 0.000 2.418 84 L HA 0.168 4.508 4.340 -0.000 0.000 0.218 84 L C 1.390 178.275 176.870 0.025 0.000 1.125 84 L CA 0.758 55.617 54.840 0.031 0.000 0.835 84 L CB -0.303 41.769 42.059 0.021 0.000 0.953 84 L HN 0.293 nan 8.230 nan 0.000 0.454 85 K N 1.984 122.408 120.400 0.041 0.000 2.262 85 K HA 0.315 4.634 4.320 -0.000 0.000 0.288 85 K C -0.260 176.365 176.600 0.042 0.000 1.090 85 K CA -0.184 56.124 56.287 0.035 0.000 0.918 85 K CB 0.761 33.296 32.500 0.058 0.000 1.139 85 K HN 0.100 nan 8.250 nan 0.000 0.462 86 I N 1.938 122.517 120.570 0.015 0.000 2.598 86 I HA -0.072 4.098 4.170 -0.000 0.000 0.284 86 I C 1.374 177.512 176.117 0.034 0.000 1.140 86 I CA 0.770 62.083 61.300 0.022 0.000 1.420 86 I CB 0.365 38.368 38.000 0.004 0.000 1.387 86 I HN 0.964 nan 8.210 nan 0.000 0.553 87 G N 4.228 113.059 108.800 0.052 0.000 2.148 87 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.254 87 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.254 87 G C 0.313 175.264 174.900 0.084 0.000 0.981 87 G CA 0.073 45.208 45.100 0.058 0.000 0.670 87 G HN 0.967 nan 8.290 nan 0.000 0.528 88 A N -0.363 122.523 122.820 0.111 0.000 2.272 88 A HA 0.634 4.953 4.320 -0.000 0.000 0.275 88 A C 0.522 178.237 177.584 0.218 0.000 1.096 88 A CA -0.316 51.825 52.037 0.172 0.000 0.822 88 A CB 0.308 19.411 19.000 0.172 0.000 1.088 88 A HN 0.595 nan 8.150 nan 0.000 0.495 89 H N 0.481 119.692 119.070 0.234 0.000 2.848 89 H HA 0.103 4.659 4.556 -0.000 0.000 0.317 89 H C 0.719 176.194 175.328 0.246 0.000 1.046 89 H CA 0.690 56.896 56.048 0.263 0.000 1.470 89 H CB 0.821 30.758 29.762 0.293 0.000 1.483 89 H HN 0.681 nan 8.280 nan 0.000 0.548 90 K N 3.440 124.074 120.400 0.391 0.000 2.362 90 K HA -0.116 4.203 4.320 -0.000 0.000 0.200 90 K C 1.680 178.579 176.600 0.499 0.000 1.046 90 K CA 0.749 57.318 56.287 0.470 0.000 0.952 90 K CB 0.339 33.116 32.500 0.462 0.000 0.753 90 K HN 0.415 nan 8.250 nan 0.000 0.466 91 K N 0.907 121.484 120.400 0.295 0.000 2.459 91 K HA 0.005 4.324 4.320 -0.000 0.000 0.193 91 K C 0.240 176.901 176.600 0.100 0.000 1.030 91 K CA 0.353 56.476 56.287 -0.273 0.000 1.026 91 K CB 0.280 32.166 32.500 -1.024 0.000 0.809 91 K HN -0.008 nan 8.250 nan 0.000 0.504 92 N N 1.917 120.781 118.700 0.274 0.000 2.843 92 N HA -0.015 4.725 4.740 -0.000 0.000 0.284 92 N C -0.866 174.950 175.510 0.510 0.000 1.274 92 N CA 0.287 53.546 53.050 0.348 0.000 1.045 92 N CB 0.676 39.395 38.487 0.388 0.000 1.370 92 N HN 0.244 nan 8.380 nan 0.000 0.525 93 T N -4.388 110.444 114.554 0.464 0.000 2.885 93 T HA 0.343 4.693 4.350 -0.000 0.000 0.285 93 T C 1.474 176.421 174.700 0.411 0.000 1.019 93 T CA -0.782 61.548 62.100 0.384 0.000 1.010 93 T CB 1.643 70.670 68.868 0.265 0.000 1.022 93 T HN -0.182 nan 8.240 nan 0.000 0.466 94 V N 1.504 121.588 119.914 0.284 0.000 2.282 94 V HA -0.163 3.956 4.120 -0.000 0.000 0.249 94 V C 2.812 178.995 176.094 0.149 0.000 1.057 94 V CA 2.495 64.930 62.300 0.225 0.000 1.032 94 V CB -1.007 30.865 31.823 0.082 0.000 0.645 94 V HN 1.052 nan 8.190 nan 0.000 0.447 95 E N -0.578 119.648 120.200 0.044 0.000 2.085 95 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 95 E C 2.010 178.581 176.600 -0.048 0.000 0.994 95 E CA 1.665 58.029 56.400 -0.061 0.000 0.801 95 E CB -0.314 29.274 29.700 -0.186 0.000 0.743 95 E HN 0.696 nan 8.360 nan 0.000 0.453 96 Y N 0.543 120.936 120.300 0.155 0.000 2.314 96 Y HA -0.020 4.530 4.550 -0.000 0.000 0.293 96 Y C 2.057 178.012 175.900 0.091 0.000 1.129 96 Y CA 1.181 59.367 58.100 0.143 0.000 1.201 96 Y CB -0.096 38.466 38.460 0.171 0.000 0.999 96 Y HN 0.166 nan 8.280 nan 0.000 0.541 97 Q N -0.386 119.545 119.800 0.219 0.000 2.424 97 Q HA -0.047 4.292 4.340 -0.000 0.000 0.204 97 Q C 1.587 177.668 176.000 0.136 0.000 0.933 97 Q CA 0.498 56.386 55.803 0.142 0.000 0.929 97 Q CB 0.084 28.860 28.738 0.064 0.000 1.037 97 Q HN 0.459 nan 8.270 nan 0.000 0.511 98 K N 0.563 121.043 120.400 0.132 0.000 2.314 98 K HA 0.062 4.382 4.320 -0.000 0.000 0.198 98 K C 0.389 177.046 176.600 0.096 0.000 1.045 98 K CA 0.484 56.830 56.287 0.098 0.000 0.988 98 K CB 0.411 32.955 32.500 0.072 0.000 0.783 98 K HN 0.144 nan 8.250 nan 0.000 0.484 99 N N 1.540 120.316 118.700 0.128 0.000 2.723 99 N HA 0.073 4.812 4.740 -0.000 0.000 0.290 99 N C 0.444 176.089 175.510 0.225 0.000 1.882 99 N CA 0.025 53.163 53.050 0.148 0.000 0.851 99 N CB 1.067 39.629 38.487 0.126 0.000 1.234 99 N HN 0.063 nan 8.380 nan 0.000 0.491 100 I N 0.539 121.225 120.570 0.192 0.000 2.264 100 I HA -0.262 3.907 4.170 -0.000 0.000 0.248 100 I C 0.965 177.217 176.117 0.224 0.000 1.111 100 I CA 1.764 63.181 61.300 0.196 0.000 1.382 100 I CB 0.273 38.349 38.000 0.127 0.000 1.060 100 I HN 0.127 nan 8.210 nan 0.000 0.418 101 D N 1.149 121.677 120.400 0.213 0.000 2.263 101 D HA -0.165 4.475 4.640 -0.000 0.000 0.208 101 D C 1.991 178.396 176.300 0.175 0.000 0.971 101 D CA 0.710 54.834 54.000 0.205 0.000 0.867 101 D CB -0.108 40.844 40.800 0.254 0.000 0.929 101 D HN 0.351 nan 8.370 nan 0.000 0.492 102 K N 0.111 120.650 120.400 0.231 0.000 2.280 102 K HA -0.109 4.211 4.320 -0.000 0.000 0.202 102 K C 1.797 178.520 176.600 0.204 0.000 1.047 102 K CA 0.088 56.523 56.287 0.247 0.000 0.942 102 K CB -0.506 32.205 32.500 0.351 0.000 0.739 102 K HN 0.227 nan 8.250 nan 0.000 0.457 103 F N 1.542 121.492 119.950 0.000 0.000 2.408 103 F HA -0.167 4.360 4.527 -0.000 0.000 0.300 103 F C 1.820 177.512 175.800 -0.179 0.000 1.090 103 F CA 0.509 58.351 58.000 -0.264 0.000 1.427 103 F CB -0.057 38.777 39.000 -0.278 0.000 1.070 103 F HN -0.284 nan 8.300 nan 0.000 0.549 104 V N 0.133 119.986 119.914 -0.103 0.000 2.469 104 V HA -0.359 3.761 4.120 -0.000 0.000 0.251 104 V C 1.834 177.762 176.094 -0.277 0.000 1.064 104 V CA 2.358 64.543 62.300 -0.192 0.000 1.066 104 V CB -1.045 30.679 31.823 -0.164 0.000 0.667 104 V HN 0.363 nan 8.190 nan 0.000 0.461 105 N N 0.090 118.652 118.700 -0.230 0.000 2.142 105 N HA -0.116 4.623 4.740 -0.000 0.000 0.186 105 N C 1.706 177.044 175.510 -0.286 0.000 1.023 105 N CA 1.244 54.175 53.050 -0.200 0.000 0.852 105 N CB -0.306 38.126 38.487 -0.091 0.000 0.998 105 N HN 0.321 nan 8.380 nan 0.000 0.424 106 V N 1.400 121.033 119.914 -0.468 0.000 2.287 106 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 106 V C 2.042 177.795 176.094 -0.569 0.000 1.053 106 V CA 1.508 63.455 62.300 -0.588 0.000 1.027 106 V CB -0.582 30.631 31.823 -1.017 0.000 0.646 106 V HN 0.310 nan 8.190 nan 0.000 0.447 107 I N -0.343 119.810 120.570 -0.696 0.000 2.127 107 I HA -0.329 3.840 4.170 -0.000 0.000 0.241 107 I C 2.735 178.602 176.117 -0.418 0.000 1.075 107 I CA 1.803 62.740 61.300 -0.605 0.000 1.334 107 I CB -0.451 37.243 38.000 -0.509 0.000 1.040 107 I HN 0.347 nan 8.210 nan 0.000 0.405 108 Q N 0.384 119.996 119.800 -0.313 0.000 2.124 108 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 108 Q C 2.307 178.209 176.000 -0.163 0.000 0.977 108 Q CA 1.509 57.185 55.803 -0.211 0.000 0.850 108 Q CB -0.441 28.191 28.738 -0.176 0.000 0.901 108 Q HN 0.655 nan 8.270 nan 0.000 0.429 109 G N 1.225 109.925 108.800 -0.167 0.000 2.498 109 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 109 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 109 G C 0.949 175.802 174.900 -0.077 0.000 1.119 109 G CA 0.748 45.784 45.100 -0.107 0.000 0.766 109 G HN 0.483 nan 8.290 nan 0.000 0.552 110 Q N -0.686 119.053 119.800 -0.103 0.000 2.129 110 Q HA 0.472 4.812 4.340 -0.000 0.000 0.274 110 Q C -0.511 175.473 176.000 -0.026 0.000 0.854 110 Q CA -0.309 55.472 55.803 -0.036 0.000 1.123 110 Q CB 0.143 28.882 28.738 0.003 0.000 1.226 110 Q HN 0.234 nan 8.270 nan 0.000 0.454 111 L N 2.024 123.210 121.223 -0.062 0.000 2.319 111 L HA 0.567 4.907 4.340 -0.000 0.000 0.281 111 L C -0.769 176.100 176.870 -0.002 0.000 1.005 111 L CA -0.797 54.026 54.840 -0.028 0.000 0.828 111 L CB 1.647 43.659 42.059 -0.079 0.000 1.227 111 L HN 0.262 nan 8.230 nan 0.000 0.415 112 M N 2.071 121.696 119.600 0.041 0.000 2.114 112 M HA 0.320 4.800 4.480 -0.000 0.000 0.332 112 M C 0.028 176.361 176.300 0.056 0.000 1.014 112 M CA -0.583 54.747 55.300 0.051 0.000 0.956 112 M CB 1.249 33.902 32.600 0.089 0.000 1.551 112 M HN 0.348 nan 8.290 nan 0.000 0.427 113 S N 1.878 117.597 115.700 0.033 0.000 2.593 113 S HA 0.088 4.558 4.470 -0.000 0.000 0.300 113 S C 1.686 176.319 174.600 0.055 0.000 1.267 113 S CA -0.400 57.821 58.200 0.034 0.000 1.065 113 S CB 0.614 63.822 63.200 0.013 0.000 0.807 113 S HN 0.539 nan 8.310 nan 0.000 0.499 114 V N 2.650 122.610 119.914 0.077 0.000 2.323 114 V HA -0.005 4.115 4.120 -0.000 0.000 0.244 114 V C 1.228 177.329 176.094 0.012 0.000 1.041 114 V CA 1.503 63.844 62.300 0.068 0.000 1.025 114 V CB 0.040 31.949 31.823 0.143 0.000 0.656 114 V HN 0.801 nan 8.190 nan 0.000 0.451 115 S N -0.532 115.194 115.700 0.043 0.000 2.750 115 S HA 0.508 4.978 4.470 -0.000 0.000 0.276 115 S C -1.135 173.466 174.600 0.002 0.000 1.165 115 S CA -0.451 57.738 58.200 -0.018 0.000 1.047 115 S CB 1.408 64.567 63.200 -0.069 0.000 1.056 115 S HN -0.003 nan 8.310 nan 0.000 0.481 116 V N 7.784 127.686 119.914 -0.020 0.000 2.384 116 V HA 0.566 4.686 4.120 -0.000 0.000 0.287 116 V C -1.966 174.108 176.094 -0.034 0.000 1.020 116 V CA -1.781 60.506 62.300 -0.022 0.000 0.850 116 V CB 1.511 33.321 31.823 -0.022 0.000 0.987 116 V HN 0.689 nan 8.190 nan 0.000 0.436 117 P HA 0.197 nan 4.420 nan 0.000 0.274 117 P C -0.209 177.064 177.300 -0.046 0.000 1.256 117 P CA -0.230 62.847 63.100 -0.038 0.000 0.795 117 P CB 0.842 32.520 31.700 -0.036 0.000 1.038 118 V N 2.132 122.022 119.914 -0.040 0.000 2.599 118 V HA -0.037 4.082 4.120 -0.000 0.000 0.300 118 V C 1.241 177.281 176.094 -0.090 0.000 1.034 118 V CA 0.227 62.499 62.300 -0.046 0.000 1.115 118 V CB -0.764 31.054 31.823 -0.008 0.000 0.934 118 V HN 0.607 nan 8.190 nan 0.000 0.485 119 N N 3.748 122.386 118.700 -0.104 0.000 2.458 119 N HA 0.106 4.845 4.740 -0.000 0.000 0.270 119 N C 0.549 175.889 175.510 -0.284 0.000 1.102 119 N CA 0.332 53.295 53.050 -0.146 0.000 0.967 119 N CB 1.553 39.982 38.487 -0.097 0.000 1.078 119 N HN 0.858 nan 8.380 nan 0.000 0.471 120 T N 0.984 115.257 114.554 -0.468 0.000 3.296 120 T HA 0.283 4.633 4.350 -0.000 0.000 0.285 120 T C 0.691 174.949 174.700 -0.737 0.000 1.014 120 T CA -0.453 60.972 62.100 -1.125 0.000 0.920 120 T CB -0.503 67.806 68.868 -0.933 0.000 1.143 120 T HN 0.266 nan 8.240 nan 0.000 0.522 121 L N 1.898 122.942 121.223 -0.299 0.000 2.380 121 L HA 0.422 4.762 4.340 -0.000 0.000 0.273 121 L C 0.065 176.976 176.870 0.069 0.000 1.138 121 L CA -0.871 53.910 54.840 -0.098 0.000 0.832 121 L CB 1.079 43.108 42.059 -0.051 0.000 1.124 121 L HN 0.071 nan 8.230 nan 0.000 0.454 122 V N 4.699 124.675 119.914 0.103 0.000 2.432 122 V HA 0.153 4.272 4.120 -0.000 0.000 0.271 122 V C 0.189 176.346 176.094 0.104 0.000 1.046 122 V CA -0.439 61.969 62.300 0.181 0.000 0.945 122 V CB 1.471 33.385 31.823 0.151 0.000 0.992 122 V HN 0.412 nan 8.190 nan 0.000 0.471 123 V N 5.462 125.438 119.914 0.103 0.000 2.293 123 V HA 0.322 4.442 4.120 -0.000 0.000 0.275 123 V C 0.236 176.358 176.094 0.048 0.000 1.021 123 V CA -0.443 61.896 62.300 0.065 0.000 0.815 123 V CB 1.273 33.135 31.823 0.065 0.000 1.025 123 V HN 1.063 nan 8.190 nan 0.000 0.448 124 D N 1.997 122.418 120.400 0.035 0.000 2.462 124 D HA 0.010 4.650 4.640 -0.000 0.000 0.221 124 D C 1.130 177.439 176.300 0.015 0.000 1.173 124 D CA 0.223 54.236 54.000 0.021 0.000 0.831 124 D CB 0.412 41.224 40.800 0.019 0.000 1.001 124 D HN 0.546 nan 8.370 nan 0.000 0.499 125 T N -1.954 112.612 114.554 0.019 0.000 3.228 125 T HA 0.328 4.677 4.350 -0.000 0.000 0.278 125 T C 0.669 175.380 174.700 0.019 0.000 1.014 125 T CA -0.556 61.554 62.100 0.016 0.000 0.904 125 T CB -0.253 68.624 68.868 0.016 0.000 1.110 125 T HN 0.019 nan 8.240 nan 0.000 0.541 126 L N 1.924 123.160 121.223 0.021 0.000 2.467 126 L HA 0.327 4.666 4.340 -0.000 0.000 0.270 126 L C 1.139 178.020 176.870 0.018 0.000 1.205 126 L CA -0.563 54.293 54.840 0.026 0.000 0.828 126 L CB 0.441 42.520 42.059 0.032 0.000 1.101 126 L HN 0.245 nan 8.230 nan 0.000 0.479 127 S N 1.633 117.347 115.700 0.022 0.000 2.560 127 S HA 0.097 4.567 4.470 -0.000 0.000 0.284 127 S C -1.459 173.148 174.600 0.011 0.000 1.327 127 S CA -1.016 57.194 58.200 0.017 0.000 1.055 127 S CB 0.822 64.036 63.200 0.023 0.000 0.868 127 S HN 0.391 nan 8.310 nan 0.000 0.506 128 P HA -0.081 nan 4.420 nan 0.000 0.220 128 P C 1.330 178.630 177.300 -0.001 0.000 1.144 128 P CA 1.312 64.408 63.100 -0.006 0.000 0.800 128 P CB -0.123 31.573 31.700 -0.007 0.000 0.772 129 T N -5.710 108.852 114.554 0.014 0.000 3.067 129 T HA 0.088 4.438 4.350 -0.000 0.000 0.261 129 T C 1.020 175.750 174.700 0.051 0.000 1.110 129 T CA 0.106 62.222 62.100 0.027 0.000 1.113 129 T CB -0.554 68.331 68.868 0.029 0.000 0.917 129 T HN -0.104 nan 8.240 nan 0.000 0.499 130 S N 1.252 116.986 115.700 0.058 0.000 2.580 130 S HA 0.300 4.770 4.470 -0.000 0.000 0.274 130 S C -0.603 174.078 174.600 0.135 0.000 1.329 130 S CA -0.989 57.274 58.200 0.106 0.000 1.036 130 S CB 0.191 63.448 63.200 0.096 0.000 0.919 130 S HN 0.601 nan 8.310 nan 0.000 0.515 131 W N 3.001 124.310 121.300 0.015 0.000 2.308 131 W HA 0.214 4.874 4.660 -0.000 0.000 0.324 131 W C 0.246 176.782 176.519 0.028 0.000 1.387 131 W CA 0.277 57.631 57.345 0.015 0.000 1.250 131 W CB 0.198 29.667 29.460 0.016 0.000 1.257 131 W HN 0.536 nan 8.180 nan 0.000 0.554 132 Q N 4.862 124.302 119.800 -0.600 0.000 2.347 132 Q HA 0.604 4.944 4.340 -0.000 0.000 0.271 132 Q C -0.805 174.750 176.000 -0.742 0.000 1.064 132 Q CA -0.885 54.681 55.803 -0.394 0.000 0.800 132 Q CB 1.826 30.419 28.738 -0.241 0.000 1.304 132 Q HN 0.593 nan 8.270 nan 0.000 0.438 133 A N 2.104 124.720 122.820 -0.340 0.000 2.388 133 A HA 0.306 4.626 4.320 -0.000 0.000 0.257 133 A C 0.428 177.858 177.584 -0.257 0.000 1.095 133 A CA -0.112 51.791 52.037 -0.223 0.000 0.791 133 A CB 0.770 19.868 19.000 0.164 0.000 1.029 133 A HN 0.869 nan 8.150 nan 0.000 0.489 134 S N -0.227 115.339 115.700 -0.224 0.000 2.503 134 S HA 0.110 4.579 4.470 -0.000 0.000 0.217 134 S C 0.843 175.333 174.600 -0.184 0.000 0.999 134 S CA 0.897 58.983 58.200 -0.192 0.000 0.914 134 S CB -0.117 62.992 63.200 -0.152 0.000 0.782 134 S HN 1.108 nan 8.310 nan 0.000 0.520 135 T N -1.342 113.137 114.554 -0.126 0.000 2.841 135 T HA 0.630 4.980 4.350 -0.000 0.000 0.296 135 T C -1.016 173.619 174.700 -0.109 0.000 1.166 135 T CA -0.766 61.254 62.100 -0.133 0.000 1.007 135 T CB 0.722 69.615 68.868 0.043 0.000 1.253 135 T HN -0.090 nan 8.240 nan 0.000 0.511 136 F N 3.057 123.079 119.950 0.121 0.000 2.567 136 F HA 0.407 4.934 4.527 -0.000 0.000 0.352 136 F C 0.385 176.229 175.800 0.073 0.000 1.229 136 F CA -1.777 56.254 58.000 0.051 0.000 1.228 136 F CB -0.847 38.157 39.000 0.007 0.000 1.568 136 F HN 0.573 nan 8.300 nan 0.000 0.634 137 F N -0.489 119.563 119.950 0.170 0.000 2.375 137 F HA 0.624 5.151 4.527 -0.000 0.000 0.313 137 F C -0.105 175.766 175.800 0.118 0.000 1.176 137 F CA -1.637 56.438 58.000 0.126 0.000 1.142 137 F CB -0.019 39.047 39.000 0.109 0.000 1.275 137 F HN -0.144 nan 8.300 nan 0.000 0.544 138 V N 2.999 123.055 119.914 0.236 0.000 2.425 138 V HA 0.245 4.365 4.120 -0.000 0.000 0.276 138 V C 0.133 176.259 176.094 0.053 0.000 1.017 138 V CA 0.071 62.431 62.300 0.099 0.000 1.062 138 V CB -0.735 31.165 31.823 0.128 0.000 0.997 138 V HN 0.731 nan 8.190 nan 0.000 0.476 139 R N 3.898 124.325 120.500 -0.122 0.000 2.744 139 R HA 0.470 4.810 4.340 -0.000 0.000 0.279 139 R C 0.121 176.379 176.300 -0.070 0.000 0.977 139 R CA -0.893 55.104 56.100 -0.172 0.000 0.906 139 R CB 1.361 31.421 30.300 -0.401 0.000 1.197 139 R HN 0.691 nan 8.270 nan 0.000 0.463 140 N N 0.787 119.469 118.700 -0.030 0.000 2.747 140 N HA -0.184 4.556 4.740 -0.000 0.000 0.249 140 N C 0.479 175.978 175.510 -0.019 0.000 1.107 140 N CA 1.521 54.556 53.050 -0.025 0.000 0.707 140 N CB -1.185 37.279 38.487 -0.039 0.000 1.054 140 N HN 1.082 nan 8.380 nan 0.000 0.555 141 G N -1.638 107.157 108.800 -0.008 0.000 2.162 141 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.260 141 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.260 141 G C 0.274 175.169 174.900 -0.008 0.000 0.976 141 G CA 1.005 46.103 45.100 -0.003 0.000 0.655 141 G HN 1.396 nan 8.290 nan 0.000 0.533 142 S N -0.479 115.211 115.700 -0.018 0.000 2.573 142 S HA 0.420 4.890 4.470 -0.000 0.000 0.277 142 S C 0.150 174.740 174.600 -0.017 0.000 1.346 142 S CA 0.203 58.389 58.200 -0.024 0.000 1.034 142 S CB 1.688 64.865 63.200 -0.038 0.000 0.879 142 S HN 0.728 nan 8.310 nan 0.000 0.528 143 N N 2.369 121.051 118.700 -0.031 0.000 2.546 143 N HA 0.360 5.100 4.740 -0.000 0.000 0.238 143 N C -1.629 173.862 175.510 -0.033 0.000 0.984 143 N CA -2.558 50.466 53.050 -0.044 0.000 0.935 143 N CB 1.267 39.699 38.487 -0.091 0.000 1.122 143 N HN 0.374 nan 8.380 nan 0.000 0.510 144 P HA -0.062 nan 4.420 nan 0.000 0.230 144 P C 0.297 177.614 177.300 0.027 0.000 1.158 144 P CA 0.844 63.958 63.100 0.023 0.000 0.769 144 P CB 0.570 32.300 31.700 0.050 0.000 0.807 145 E N -0.142 120.056 120.200 -0.003 0.000 2.274 145 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 145 E C 0.930 177.520 176.600 -0.015 0.000 0.996 145 E CA 0.587 56.995 56.400 0.015 0.000 0.840 145 E CB -0.112 29.528 29.700 -0.101 0.000 0.772 145 E HN 0.310 nan 8.360 nan 0.000 0.491 146 Q N 2.176 121.937 119.800 -0.064 0.000 2.295 146 Q HA 0.027 4.367 4.340 -0.000 0.000 0.259 146 Q C -0.814 175.187 176.000 0.001 0.000 0.976 146 Q CA -0.188 55.578 55.803 -0.062 0.000 0.923 146 Q CB 0.811 29.501 28.738 -0.079 0.000 1.185 146 Q HN -0.197 nan 8.270 nan 0.000 0.410 147 D N 5.987 126.408 120.400 0.035 0.000 2.358 147 D HA 0.058 4.698 4.640 -0.000 0.000 0.258 147 D C -1.685 174.628 176.300 0.021 0.000 1.223 147 D CA -1.852 52.171 54.000 0.039 0.000 0.886 147 D CB 1.289 42.126 40.800 0.062 0.000 1.120 147 D HN 0.438 nan 8.370 nan 0.000 0.482 148 P HA -0.086 nan 4.420 nan 0.000 0.222 148 P C 1.230 178.530 177.300 -0.000 0.000 1.147 148 P CA 0.724 63.820 63.100 -0.007 0.000 0.790 148 P CB 0.329 32.013 31.700 -0.026 0.000 0.780 149 L N -1.285 119.942 121.223 0.007 0.000 2.607 149 L HA 0.198 4.537 4.340 -0.000 0.000 0.228 149 L C 1.492 178.374 176.870 0.019 0.000 1.123 149 L CA 0.192 55.037 54.840 0.009 0.000 0.890 149 L CB -0.110 41.951 42.059 0.004 0.000 1.103 149 L HN -0.179 nan 8.230 nan 0.000 0.468 150 R N -0.326 120.195 120.500 0.034 0.000 2.698 150 R HA 0.213 4.553 4.340 -0.000 0.000 0.422 150 R C -0.387 175.966 176.300 0.089 0.000 1.073 150 R CA -0.267 55.866 56.100 0.054 0.000 1.054 150 R CB 0.329 30.664 30.300 0.059 0.000 1.373 150 R HN 0.045 nan 8.270 nan 0.000 0.593 151 N N 0.609 119.339 118.700 0.050 0.000 2.459 151 N HA 0.367 5.107 4.740 -0.000 0.000 0.288 151 N C -0.684 174.744 175.510 -0.137 0.000 1.186 151 N CA -0.605 52.459 53.050 0.023 0.000 0.917 151 N CB 1.191 39.685 38.487 0.012 0.000 1.219 151 N HN 0.077 nan 8.380 nan 0.000 0.525 152 L N 1.986 122.973 121.223 -0.394 0.000 2.494 152 L HA 0.215 4.554 4.340 -0.000 0.000 0.251 152 L C 1.396 178.073 176.870 -0.321 0.000 1.119 152 L CA -0.280 54.195 54.840 -0.609 0.000 1.026 152 L CB 0.431 41.744 42.059 -1.244 0.000 1.370 152 L HN 0.635 nan 8.230 nan 0.000 0.426 153 S N -0.445 115.163 115.700 -0.154 0.000 2.447 153 S HA -0.104 4.366 4.470 -0.000 0.000 0.233 153 S C 1.765 176.322 174.600 -0.072 0.000 1.006 153 S CA 0.904 59.060 58.200 -0.073 0.000 0.957 153 S CB -0.133 63.039 63.200 -0.046 0.000 0.773 153 S HN 0.630 nan 8.310 nan 0.000 0.507 154 G N 0.349 109.088 108.800 -0.101 0.000 2.813 154 G HA2 0.090 4.050 3.960 -0.000 0.000 0.209 154 G HA3 0.090 4.050 3.960 -0.000 0.000 0.209 154 G C 0.557 175.413 174.900 -0.073 0.000 1.150 154 G CA -0.298 44.755 45.100 -0.078 0.000 0.785 154 G HN 0.364 nan 8.290 nan 0.000 0.535 155 Q N 0.658 120.391 119.800 -0.111 0.000 2.300 155 Q HA 0.498 4.838 4.340 -0.000 0.000 0.280 155 Q C -0.141 175.877 176.000 0.030 0.000 1.033 155 Q CA 0.265 56.033 55.803 -0.059 0.000 0.903 155 Q CB 1.365 30.027 28.738 -0.127 0.000 1.195 155 Q HN 0.286 nan 8.270 nan 0.000 0.386 156 A N 2.142 124.989 122.820 0.045 0.000 2.587 156 A HA 0.746 5.065 4.320 -0.000 0.000 0.293 156 A C -0.994 176.642 177.584 0.086 0.000 1.087 156 A CA -0.570 51.502 52.037 0.059 0.000 0.692 156 A CB 1.403 20.422 19.000 0.031 0.000 1.291 156 A HN 0.472 nan 8.150 nan 0.000 0.407 157 V N -1.987 117.990 119.914 0.106 0.000 3.001 157 V HA 0.952 5.072 4.120 -0.000 0.000 0.314 157 V C -0.461 175.721 176.094 0.147 0.000 1.099 157 V CA -0.537 61.849 62.300 0.143 0.000 0.989 157 V CB 1.638 33.586 31.823 0.208 0.000 1.040 157 V HN 0.886 nan 8.190 nan 0.000 0.434 158 T N 2.727 117.374 114.554 0.154 0.000 2.812 158 T HA 0.585 4.934 4.350 -0.000 0.000 0.282 158 T C -0.382 174.378 174.700 0.100 0.000 0.990 158 T CA -0.479 61.701 62.100 0.134 0.000 0.960 158 T CB 1.171 70.145 68.868 0.178 0.000 0.948 158 T HN 0.774 nan 8.240 nan 0.000 0.438 159 R N 2.523 123.067 120.500 0.074 0.000 2.396 159 R HA 0.603 4.943 4.340 -0.000 0.000 0.292 159 R C -0.735 175.588 176.300 0.038 0.000 1.240 159 R CA -0.614 55.502 56.100 0.027 0.000 1.270 159 R CB 0.846 31.132 30.300 -0.023 0.000 1.108 159 R HN 0.517 nan 8.270 nan 0.000 0.573 160 V N -1.746 118.191 119.914 0.038 0.000 3.120 160 V HA 0.437 4.557 4.120 -0.000 0.000 0.303 160 V C -0.093 176.021 176.094 0.034 0.000 1.238 160 V CA -1.135 61.190 62.300 0.042 0.000 1.008 160 V CB 1.973 33.830 31.823 0.056 0.000 1.064 160 V HN 0.134 nan 8.190 nan 0.000 0.434 161 V N 3.677 123.613 119.914 0.037 0.000 2.540 161 V HA 0.498 4.618 4.120 -0.000 0.000 0.297 161 V C 1.752 177.865 176.094 0.033 0.000 1.024 161 V CA 1.982 64.303 62.300 0.036 0.000 1.105 161 V CB 0.125 31.971 31.823 0.039 0.000 0.938 161 V HN 2.116 nan 8.190 nan 0.000 0.482 162 G N 3.283 112.097 108.800 0.024 0.000 2.217 162 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.246 162 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.246 162 G C 1.020 175.897 174.900 -0.038 0.000 0.990 162 G CA 0.282 45.383 45.100 0.002 0.000 0.627 162 G HN 2.194 nan 8.290 nan 0.000 0.522 163 G N -0.061 108.728 108.800 -0.018 0.000 2.575 163 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.267 163 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.267 163 G C 1.097 175.947 174.900 -0.084 0.000 1.264 163 G CA 1.027 46.108 45.100 -0.031 0.000 0.935 163 G HN 1.086 nan 8.290 nan 0.000 0.568 164 M N 1.378 120.897 119.600 -0.136 0.000 2.557 164 M HA -0.000 4.479 4.480 -0.000 0.000 0.259 164 M C 2.703 178.673 176.300 -0.549 0.000 1.086 164 M CA 1.724 56.823 55.300 -0.336 0.000 1.096 164 M CB -0.224 32.262 32.600 -0.190 0.000 1.424 164 M HN 0.763 nan 8.290 nan 0.000 0.488 165 S N -0.314 115.108 115.700 -0.464 0.000 2.555 165 S HA -0.074 4.396 4.470 -0.000 0.000 0.230 165 S C 1.711 176.156 174.600 -0.259 0.000 0.978 165 S CA 1.217 59.009 58.200 -0.679 0.000 0.934 165 S CB -0.943 61.884 63.200 -0.622 0.000 0.766 165 S HN 0.581 nan 8.310 nan 0.000 0.533 166 T N -0.728 113.690 114.554 -0.226 0.000 3.118 166 T HA 0.018 4.367 4.350 -0.000 0.000 0.260 166 T C 1.342 175.880 174.700 -0.270 0.000 1.139 166 T CA 0.890 62.887 62.100 -0.173 0.000 1.085 166 T CB -0.681 68.180 68.868 -0.012 0.000 0.934 166 T HN 0.906 nan 8.240 nan 0.000 0.518 167 H N -2.010 116.983 119.070 -0.128 0.000 3.680 167 H HA 0.190 4.746 4.556 -0.000 0.000 0.260 167 H C 0.516 176.053 175.328 0.348 0.000 1.183 167 H CA -0.997 55.129 56.048 0.130 0.000 1.159 167 H CB -0.519 29.315 29.762 0.121 0.000 1.567 167 H HN 0.477 nan 8.280 nan 0.000 0.648 168 W N 2.782 123.991 121.300 -0.152 0.000 2.042 168 W HA 0.259 4.918 4.660 -0.000 0.000 0.358 168 W C -0.059 176.554 176.519 0.157 0.000 1.325 168 W CA 0.033 57.413 57.345 0.059 0.000 1.311 168 W CB -0.219 29.215 29.460 -0.044 0.000 1.210 168 W HN -0.162 nan 8.180 nan 0.000 0.620 169 T N 1.078 115.597 114.554 -0.059 0.000 3.100 169 T HA 0.018 4.368 4.350 -0.000 0.000 0.253 169 T C 0.999 175.283 174.700 -0.694 0.000 1.118 169 T CA 1.019 62.918 62.100 -0.335 0.000 1.058 169 T CB -0.548 68.292 68.868 -0.047 0.000 0.953 169 T HN 0.662 nan 8.240 nan 0.000 0.515 170 C N 1.046 119.558 119.300 -1.314 0.000 4.552 170 C HA -0.109 4.351 4.460 -0.000 0.000 0.268 170 C C 1.098 175.605 174.990 -0.805 0.000 1.288 170 C CA -0.718 57.284 59.018 -1.694 0.000 1.776 170 C CB -2.721 24.508 27.740 -0.852 0.000 1.415 170 C HN 0.753 nan 8.230 nan 0.000 0.729 171 A N 1.050 123.594 122.820 -0.460 0.000 2.354 171 A HA 0.587 4.907 4.320 -0.000 0.000 0.281 171 A C 0.775 178.275 177.584 -0.139 0.000 1.174 171 A CA 1.026 52.949 52.037 -0.190 0.000 0.828 171 A CB 0.219 19.179 19.000 -0.067 0.000 1.099 171 A HN 1.375 nan 8.150 nan 0.000 0.516 172 T N 1.398 115.890 114.554 -0.103 0.000 3.514 172 T HA 0.499 4.848 4.350 -0.000 0.000 0.259 172 T C -2.682 171.977 174.700 -0.069 0.000 1.466 172 T CA -1.490 60.584 62.100 -0.043 0.000 1.562 172 T CB 0.395 69.269 68.868 0.011 0.000 0.924 172 T HN 0.444 nan 8.240 nan 0.000 0.678 173 P HA 0.353 nan 4.420 nan 0.000 0.277 173 P C -0.144 177.021 177.300 -0.226 0.000 1.240 173 P CA -0.581 62.424 63.100 -0.158 0.000 0.798 173 P CB 1.054 32.632 31.700 -0.204 0.000 0.979 174 R N 0.943 121.231 120.500 -0.353 0.000 2.582 174 R HA 0.375 4.715 4.340 -0.000 0.000 0.271 174 R C 0.096 176.266 176.300 -0.217 0.000 1.078 174 R CA -0.391 55.298 56.100 -0.685 0.000 1.127 174 R CB 0.160 29.913 30.300 -0.911 0.000 1.038 174 R HN 0.379 nan 8.270 nan 0.000 0.500 175 F N 1.831 121.551 119.950 -0.385 0.000 2.384 175 F HA 0.060 4.587 4.527 -0.000 0.000 0.338 175 F C 0.973 176.588 175.800 -0.308 0.000 1.103 175 F CA -1.587 56.219 58.000 -0.325 0.000 1.157 175 F CB 0.367 39.169 39.000 -0.330 0.000 1.167 175 F HN 0.544 nan 8.300 nan 0.000 0.529 176 D N 2.118 122.443 120.400 -0.124 0.000 2.398 176 D HA 0.130 4.769 4.640 -0.000 0.000 0.247 176 D C 1.017 177.225 176.300 -0.153 0.000 1.227 176 D CA -0.431 53.491 54.000 -0.129 0.000 0.980 176 D CB 0.581 41.318 40.800 -0.105 0.000 1.106 176 D HN 0.469 nan 8.370 nan 0.000 0.493 177 R N -0.307 120.128 120.500 -0.109 0.000 2.117 177 R HA -0.170 4.170 4.340 -0.000 0.000 0.243 177 R C 1.993 178.231 176.300 -0.104 0.000 1.143 177 R CA 1.500 57.542 56.100 -0.097 0.000 0.968 177 R CB -0.233 30.045 30.300 -0.036 0.000 0.863 177 R HN 0.648 nan 8.270 nan 0.000 0.444 178 E N 0.573 120.707 120.200 -0.110 0.000 2.204 178 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 178 E C 1.496 177.981 176.600 -0.191 0.000 0.990 178 E CA 1.091 57.431 56.400 -0.100 0.000 0.821 178 E CB 0.208 29.889 29.700 -0.031 0.000 0.750 178 E HN 0.435 nan 8.360 nan 0.000 0.477 179 Q N -0.621 118.973 119.800 -0.342 0.000 2.356 179 Q HA 0.114 4.454 4.340 -0.000 0.000 0.205 179 Q C 0.418 176.309 176.000 -0.182 0.000 0.901 179 Q CA -0.098 55.436 55.803 -0.448 0.000 0.938 179 Q CB 0.702 28.876 28.738 -0.940 0.000 1.081 179 Q HN -0.072 nan 8.270 nan 0.000 0.517 180 R N 2.109 122.546 120.500 -0.106 0.000 2.460 180 R HA 0.294 4.634 4.340 -0.000 0.000 0.303 180 R C -2.542 173.727 176.300 -0.051 0.000 0.968 180 R CA -2.080 53.951 56.100 -0.116 0.000 0.889 180 R CB 0.989 31.038 30.300 -0.419 0.000 1.123 180 R HN -0.120 nan 8.270 nan 0.000 0.455 181 P HA 0.055 nan 4.420 nan 0.000 0.274 181 P C -0.573 176.885 177.300 0.262 0.000 1.231 181 P CA -0.129 63.051 63.100 0.133 0.000 0.790 181 P CB 0.690 32.485 31.700 0.159 0.000 0.951 182 L N 2.732 124.073 121.223 0.196 0.000 2.380 182 L HA 0.154 4.494 4.340 -0.000 0.000 0.273 182 L C 1.648 178.660 176.870 0.238 0.000 1.138 182 L CA -0.143 54.878 54.840 0.301 0.000 0.832 182 L CB 0.270 42.544 42.059 0.357 0.000 1.124 182 L HN 0.372 nan 8.230 nan 0.000 0.454 183 L N 3.455 124.862 121.223 0.306 0.000 2.575 183 L HA 0.214 4.553 4.340 -0.000 0.000 0.228 183 L C -0.281 176.760 176.870 0.284 0.000 1.075 183 L CA 0.150 55.060 54.840 0.116 0.000 0.867 183 L CB 0.824 42.754 42.059 -0.215 0.000 1.097 183 L HN 0.318 nan 8.230 nan 0.000 0.485 184 V N 1.173 121.270 119.914 0.305 0.000 2.531 184 V HA 0.236 4.356 4.120 -0.000 0.000 0.301 184 V C -0.382 175.818 176.094 0.176 0.000 1.034 184 V CA -1.030 61.392 62.300 0.203 0.000 0.865 184 V CB 1.789 33.676 31.823 0.107 0.000 0.995 184 V HN 0.157 nan 8.190 nan 0.000 0.424 185 K N 2.417 122.794 120.400 -0.038 0.000 2.144 185 K HA 0.418 4.737 4.320 -0.000 0.000 0.270 185 K C -0.385 176.186 176.600 -0.049 0.000 1.005 185 K CA -0.514 55.705 56.287 -0.113 0.000 0.932 185 K CB 0.705 32.950 32.500 -0.426 0.000 1.021 185 K HN 0.629 nan 8.250 nan 0.000 0.462 186 D N 1.080 121.475 120.400 -0.008 0.000 2.708 186 D HA -0.159 4.481 4.640 -0.000 0.000 0.236 186 D C -0.856 175.450 176.300 0.011 0.000 1.146 186 D CA 1.415 55.414 54.000 -0.001 0.000 0.662 186 D CB -0.686 40.099 40.800 -0.025 0.000 1.059 186 D HN 0.768 nan 8.370 nan 0.000 0.428 187 D N -1.406 119.014 120.400 0.033 0.000 2.668 187 D HA 0.331 4.971 4.640 -0.000 0.000 0.234 187 D C 0.867 177.203 176.300 0.060 0.000 1.349 187 D CA 0.206 54.228 54.000 0.038 0.000 0.889 187 D CB 0.293 41.109 40.800 0.028 0.000 1.520 187 D HN 0.006 nan 8.370 nan 0.000 0.521 188 A N 2.119 124.976 122.820 0.061 0.000 1.972 188 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 188 A C 1.611 179.243 177.584 0.080 0.000 1.169 188 A CA 1.352 53.435 52.037 0.076 0.000 0.635 188 A CB 0.032 19.069 19.000 0.062 0.000 0.810 188 A HN 0.449 nan 8.150 nan 0.000 0.446 189 D N 0.063 120.499 120.400 0.061 0.000 2.183 189 D HA 0.005 4.644 4.640 -0.000 0.000 0.203 189 D C 2.172 178.511 176.300 0.064 0.000 0.969 189 D CA 1.325 55.360 54.000 0.059 0.000 0.842 189 D CB -0.302 40.523 40.800 0.043 0.000 0.957 189 D HN 0.447 nan 8.370 nan 0.000 0.484 190 A N 0.981 123.836 122.820 0.059 0.000 1.929 190 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 190 A C 1.953 179.583 177.584 0.076 0.000 1.176 190 A CA 1.744 53.813 52.037 0.053 0.000 0.628 190 A CB -0.445 18.578 19.000 0.039 0.000 0.816 190 A HN 0.124 nan 8.150 nan 0.000 0.444 191 D N -0.090 120.378 120.400 0.115 0.000 2.097 191 D HA -0.161 4.479 4.640 -0.000 0.000 0.195 191 D C 1.289 177.750 176.300 0.268 0.000 0.989 191 D CA 1.574 55.689 54.000 0.192 0.000 0.827 191 D CB -0.136 40.804 40.800 0.232 0.000 0.966 191 D HN 0.318 nan 8.370 nan 0.000 0.456 192 D N -0.129 120.397 120.400 0.210 0.000 2.116 192 D HA -0.164 4.476 4.640 -0.000 0.000 0.193 192 D C 1.995 178.405 176.300 0.184 0.000 0.998 192 D CA 1.577 55.701 54.000 0.207 0.000 0.836 192 D CB -0.629 40.246 40.800 0.126 0.000 0.951 192 D HN 0.334 nan 8.370 nan 0.000 0.449 193 A N 0.583 123.472 122.820 0.116 0.000 1.902 193 A HA -0.212 4.107 4.320 -0.000 0.000 0.217 193 A C 2.150 179.765 177.584 0.052 0.000 1.181 193 A CA 2.007 54.089 52.037 0.075 0.000 0.623 193 A CB -0.553 18.474 19.000 0.045 0.000 0.818 193 A HN 0.222 nan 8.150 nan 0.000 0.443 194 E N -1.019 119.193 120.200 0.020 0.000 2.047 194 E HA -0.196 4.153 4.350 -0.000 0.000 0.191 194 E C 1.686 178.204 176.600 -0.137 0.000 0.987 194 E CA 1.489 57.831 56.400 -0.098 0.000 0.799 194 E CB -0.428 29.165 29.700 -0.178 0.000 0.752 194 E HN 0.721 nan 8.360 nan 0.000 0.449 195 W N 0.763 122.031 121.300 -0.053 0.000 2.358 195 W HA -0.101 4.558 4.660 -0.000 0.000 0.303 195 W C 2.148 178.665 176.519 -0.003 0.000 1.208 195 W CA 1.279 58.559 57.345 -0.108 0.000 1.274 195 W CB -0.378 29.061 29.460 -0.035 0.000 1.138 195 W HN 0.246 nan 8.180 nan 0.000 0.515 196 D N 0.011 120.587 120.400 0.295 0.000 2.117 196 D HA -0.225 4.415 4.640 -0.000 0.000 0.197 196 D C 2.153 178.528 176.300 0.126 0.000 0.987 196 D CA 1.547 55.683 54.000 0.226 0.000 0.829 196 D CB -0.208 40.680 40.800 0.146 0.000 0.961 196 D HN -0.013 nan 8.370 nan 0.000 0.460 197 R N -0.255 120.271 120.500 0.043 0.000 2.073 197 R HA -0.093 4.246 4.340 -0.000 0.000 0.234 197 R C 2.443 178.705 176.300 -0.063 0.000 1.134 197 R CA 1.169 57.257 56.100 -0.020 0.000 0.952 197 R CB -0.331 29.937 30.300 -0.052 0.000 0.850 197 R HN 0.260 nan 8.270 nan 0.000 0.433 198 L N -0.497 120.654 121.223 -0.120 0.000 2.027 198 L HA -0.184 4.156 4.340 -0.000 0.000 0.206 198 L C 2.371 179.178 176.870 -0.105 0.000 1.074 198 L CA 1.241 55.956 54.840 -0.209 0.000 0.745 198 L CB -0.625 41.198 42.059 -0.393 0.000 0.898 198 L HN 0.205 nan 8.230 nan 0.000 0.433 199 Y N 0.255 120.558 120.300 0.005 0.000 2.224 199 Y HA -0.217 4.333 4.550 -0.000 0.000 0.289 199 Y C 2.863 178.743 175.900 -0.034 0.000 1.146 199 Y CA 1.462 59.571 58.100 0.015 0.000 1.182 199 Y CB -1.059 37.442 38.460 0.067 0.000 0.983 199 Y HN 0.133 nan 8.280 nan 0.000 0.524 200 T N -0.419 114.207 114.554 0.121 0.000 2.788 200 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 200 T C 1.982 176.652 174.700 -0.050 0.000 1.044 200 T CA 1.568 63.691 62.100 0.038 0.000 1.139 200 T CB -0.112 68.771 68.868 0.025 0.000 0.867 200 T HN 0.236 nan 8.240 nan 0.000 0.454 201 K N 0.795 121.109 120.400 -0.142 0.000 2.062 201 K HA 0.058 4.378 4.320 -0.000 0.000 0.205 201 K C 2.549 178.841 176.600 -0.513 0.000 1.051 201 K CA 0.997 57.074 56.287 -0.350 0.000 0.941 201 K CB -0.268 31.977 32.500 -0.425 0.000 0.719 201 K HN 0.251 nan 8.250 nan 0.000 0.440 202 A N 1.415 124.039 122.820 -0.327 0.000 1.908 202 A HA -0.220 4.099 4.320 -0.000 0.000 0.218 202 A C 1.833 179.430 177.584 0.022 0.000 1.181 202 A CA 1.825 53.741 52.037 -0.201 0.000 0.627 202 A CB -0.534 18.453 19.000 -0.022 0.000 0.818 202 A HN 0.458 nan 8.150 nan 0.000 0.445 203 E N 0.121 120.370 120.200 0.082 0.000 2.110 203 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 203 E C 2.387 179.073 176.600 0.143 0.000 0.988 203 E CA 1.465 57.956 56.400 0.151 0.000 0.804 203 E CB -0.171 29.588 29.700 0.097 0.000 0.745 203 E HN 0.839 nan 8.360 nan 0.000 0.458 204 S N 0.113 115.849 115.700 0.060 0.000 2.368 204 S HA -0.174 4.296 4.470 -0.000 0.000 0.224 204 S C 1.936 176.679 174.600 0.238 0.000 1.029 204 S CA 0.708 58.972 58.200 0.107 0.000 0.988 204 S CB -0.489 62.747 63.200 0.060 0.000 0.838 204 S HN 0.204 nan 8.310 nan 0.000 0.462 205 Y N 0.720 121.034 120.300 0.023 0.000 2.165 205 Y HA 0.089 4.639 4.550 -0.000 0.000 0.286 205 Y C 2.069 178.001 175.900 0.053 0.000 1.155 205 Y CA -0.025 58.056 58.100 -0.033 0.000 1.164 205 Y CB -1.113 37.241 38.460 -0.177 0.000 0.978 205 Y HN 0.299 nan 8.280 nan 0.000 0.513 206 F N 0.135 120.240 119.950 0.258 0.000 2.789 206 F HA 0.048 4.575 4.527 -0.000 0.000 0.300 206 F C 0.819 176.732 175.800 0.188 0.000 1.132 206 F CA 0.108 58.251 58.000 0.238 0.000 1.404 206 F CB -0.324 38.837 39.000 0.269 0.000 1.114 206 F HN -0.011 nan 8.300 nan 0.000 0.584 207 Q N 0.598 120.588 119.800 0.317 0.000 2.463 207 Q HA -0.191 4.149 4.340 -0.000 0.000 0.299 207 Q C 0.075 176.164 176.000 0.148 0.000 1.353 207 Q CA 0.747 56.663 55.803 0.189 0.000 0.828 207 Q CB -2.590 26.236 28.738 0.148 0.000 1.157 207 Q HN 0.215 nan 8.270 nan 0.000 0.436 208 T N -0.227 114.428 114.554 0.167 0.000 2.930 208 T HA 0.511 4.860 4.350 -0.000 0.000 0.306 208 T C 0.781 175.516 174.700 0.057 0.000 1.045 208 T CA 0.493 62.655 62.100 0.104 0.000 1.134 208 T CB 1.440 70.379 68.868 0.118 0.000 0.961 208 T HN 0.509 nan 8.240 nan 0.000 0.545 209 G N 0.365 109.183 108.800 0.029 0.000 2.649 209 G HA2 0.538 4.498 3.960 -0.000 0.000 0.290 209 G HA3 0.538 4.498 3.960 -0.000 0.000 0.290 209 G C -0.056 174.856 174.900 0.018 0.000 1.426 209 G CA -0.469 44.640 45.100 0.015 0.000 0.794 209 G HN 0.648 nan 8.290 nan 0.000 0.483 210 T N -2.412 112.154 114.554 0.019 0.000 3.393 210 T HA 0.283 4.633 4.350 -0.000 0.000 0.298 210 T C 0.024 174.743 174.700 0.031 0.000 1.004 210 T CA 0.495 62.617 62.100 0.036 0.000 0.956 210 T CB 0.379 69.274 68.868 0.044 0.000 1.182 210 T HN 0.482 nan 8.240 nan 0.000 0.497 211 D N 0.257 120.656 120.400 -0.002 0.000 2.500 211 D HA 0.076 4.716 4.640 -0.000 0.000 0.217 211 D C 1.313 177.550 176.300 -0.104 0.000 1.159 211 D CA -0.094 53.885 54.000 -0.035 0.000 0.828 211 D CB -0.064 40.709 40.800 -0.046 0.000 1.039 211 D HN 0.281 nan 8.370 nan 0.000 0.512 212 Q N -0.494 119.238 119.800 -0.114 0.000 2.436 212 Q HA 0.176 4.515 4.340 -0.000 0.000 0.209 212 Q C 0.143 175.766 176.000 -0.629 0.000 0.965 212 Q CA 0.798 56.400 55.803 -0.334 0.000 0.910 212 Q CB -0.194 28.331 28.738 -0.355 0.000 0.980 212 Q HN 0.278 nan 8.270 nan 0.000 0.491 213 F N -0.316 119.474 119.950 -0.267 0.000 2.735 213 F HA 0.228 4.755 4.527 -0.000 0.000 0.308 213 F C 1.194 176.802 175.800 -0.320 0.000 1.112 213 F CA -0.580 57.220 58.000 -0.333 0.000 1.235 213 F CB 0.419 39.139 39.000 -0.467 0.000 1.027 213 F HN -0.015 nan 8.300 nan 0.000 0.528 214 K N 0.333 120.653 120.400 -0.133 0.000 2.209 214 K HA -0.103 4.217 4.320 -0.000 0.000 0.204 214 K C 0.725 177.263 176.600 -0.103 0.000 1.048 214 K CA 1.651 57.909 56.287 -0.049 0.000 0.940 214 K CB -0.139 32.317 32.500 -0.074 0.000 0.729 214 K HN 0.324 nan 8.250 nan 0.000 0.451 215 E N 1.597 121.628 120.200 -0.281 0.000 2.499 215 E HA 0.054 4.404 4.350 -0.000 0.000 0.199 215 E C -0.688 175.784 176.600 -0.214 0.000 1.016 215 E CA -0.294 55.745 56.400 -0.600 0.000 0.933 215 E CB 0.944 30.160 29.700 -0.807 0.000 1.050 215 E HN 0.213 nan 8.360 nan 0.000 0.462 216 S N 0.721 116.431 115.700 0.016 0.000 2.528 216 S HA 0.158 4.628 4.470 -0.000 0.000 0.277 216 S C 1.250 175.941 174.600 0.152 0.000 1.297 216 S CA -0.425 57.838 58.200 0.105 0.000 1.052 216 S CB 0.465 63.779 63.200 0.189 0.000 0.917 216 S HN 0.214 nan 8.310 nan 0.000 0.492 217 I N 4.846 125.382 120.570 -0.057 0.000 2.252 217 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 217 I C 2.708 178.668 176.117 -0.261 0.000 1.102 217 I CA 1.072 62.092 61.300 -0.467 0.000 1.385 217 I CB -0.205 37.278 38.000 -0.861 0.000 1.064 217 I HN 0.700 nan 8.210 nan 0.000 0.414 218 R N -0.488 119.949 120.500 -0.104 0.000 2.081 218 R HA -0.218 4.121 4.340 -0.000 0.000 0.235 218 R C 2.361 178.699 176.300 0.065 0.000 1.131 218 R CA 1.593 57.679 56.100 -0.023 0.000 0.960 218 R CB -0.568 29.728 30.300 -0.008 0.000 0.856 218 R HN 0.410 nan 8.270 nan 0.000 0.436 219 H N 1.161 120.255 119.070 0.041 0.000 2.293 219 H HA -0.047 4.509 4.556 -0.000 0.000 0.300 219 H C 1.791 177.194 175.328 0.126 0.000 1.082 219 H CA 1.894 57.989 56.048 0.078 0.000 1.308 219 H CB -0.110 29.727 29.762 0.126 0.000 1.375 219 H HN 0.107 nan 8.280 nan 0.000 0.495 220 N N 0.090 118.895 118.700 0.175 0.000 2.188 220 N HA -0.130 4.609 4.740 -0.000 0.000 0.184 220 N C 2.051 177.702 175.510 0.235 0.000 1.018 220 N CA 1.034 54.225 53.050 0.235 0.000 0.858 220 N CB -0.255 38.579 38.487 0.578 0.000 0.989 220 N HN 0.311 nan 8.380 nan 0.000 0.426 221 L N 1.211 122.596 121.223 0.269 0.000 2.012 221 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 221 L C 2.137 179.064 176.870 0.095 0.000 1.073 221 L CA 1.382 56.378 54.840 0.261 0.000 0.748 221 L CB -0.535 41.640 42.059 0.194 0.000 0.891 221 L HN -0.123 nan 8.230 nan 0.000 0.431 222 V N -0.840 119.085 119.914 0.018 0.000 2.323 222 V HA -0.228 3.892 4.120 -0.000 0.000 0.244 222 V C 2.422 178.446 176.094 -0.116 0.000 1.041 222 V CA 1.514 63.791 62.300 -0.039 0.000 1.025 222 V CB -0.614 31.168 31.823 -0.068 0.000 0.656 222 V HN 0.495 nan 8.190 nan 0.000 0.451 223 L N 1.052 122.166 121.223 -0.181 0.000 2.013 223 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 223 L C 2.189 178.993 176.870 -0.110 0.000 1.073 223 L CA 2.136 56.864 54.840 -0.187 0.000 0.753 223 L CB -0.966 40.930 42.059 -0.271 0.000 0.890 223 L HN 0.324 nan 8.230 nan 0.000 0.432 224 N N -0.279 118.400 118.700 -0.035 0.000 2.142 224 N HA -0.190 4.550 4.740 -0.000 0.000 0.186 224 N C 1.841 177.328 175.510 -0.038 0.000 1.023 224 N CA 1.278 54.324 53.050 -0.007 0.000 0.852 224 N CB -0.312 38.197 38.487 0.036 0.000 0.998 224 N HN 0.275 nan 8.380 nan 0.000 0.424 225 K N 1.530 121.905 120.400 -0.041 0.000 2.026 225 K HA 0.039 4.358 4.320 -0.000 0.000 0.208 225 K C 1.991 178.537 176.600 -0.090 0.000 1.048 225 K CA 0.985 57.246 56.287 -0.043 0.000 0.929 225 K CB -0.582 31.911 32.500 -0.012 0.000 0.713 225 K HN 0.119 nan 8.250 nan 0.000 0.439 226 L N 0.101 121.200 121.223 -0.206 0.000 2.046 226 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 226 L C 2.313 178.984 176.870 -0.332 0.000 1.077 226 L CA 1.798 56.382 54.840 -0.427 0.000 0.747 226 L CB -0.880 40.514 42.059 -1.108 0.000 0.896 226 L HN 0.262 nan 8.230 nan 0.000 0.432 227 T N -0.789 113.621 114.554 -0.240 0.000 2.665 227 T HA -0.286 4.064 4.350 -0.000 0.000 0.268 227 T C 1.799 176.547 174.700 0.080 0.000 1.035 227 T CA 1.883 64.011 62.100 0.047 0.000 1.151 227 T CB -0.154 68.753 68.868 0.065 0.000 0.862 227 T HN 0.397 nan 8.240 nan 0.000 0.438 228 E N 0.422 120.631 120.200 0.014 0.000 2.047 228 E HA -0.156 4.193 4.350 -0.000 0.000 0.191 228 E C 2.230 178.827 176.600 -0.005 0.000 0.987 228 E CA 0.864 57.268 56.400 0.007 0.000 0.799 228 E CB 0.056 29.743 29.700 -0.022 0.000 0.752 228 E HN 0.359 nan 8.360 nan 0.000 0.449 229 E N -0.310 119.870 120.200 -0.032 0.000 2.160 229 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 229 E C 0.815 177.261 176.600 -0.258 0.000 0.991 229 E CA 1.062 57.368 56.400 -0.156 0.000 0.810 229 E CB -0.032 29.547 29.700 -0.202 0.000 0.742 229 E HN 0.478 nan 8.360 nan 0.000 0.466 230 Y N 0.320 120.658 120.300 0.063 0.000 2.681 230 Y HA 0.195 4.745 4.550 -0.000 0.000 0.267 230 Y C 0.559 176.523 175.900 0.107 0.000 1.166 230 Y CA -0.444 57.731 58.100 0.124 0.000 1.209 230 Y CB 0.315 38.940 38.460 0.275 0.000 1.161 230 Y HN -0.258 nan 8.280 nan 0.000 0.534 231 K N 0.715 121.207 120.400 0.153 0.000 2.511 231 K HA 0.123 4.443 4.320 -0.000 0.000 0.280 231 K C 1.274 177.935 176.600 0.101 0.000 1.008 231 K CA 1.325 57.681 56.287 0.115 0.000 1.050 231 K CB -0.012 32.523 32.500 0.057 0.000 0.889 231 K HN 0.653 nan 8.250 nan 0.000 0.484 232 G N 3.077 111.936 108.800 0.098 0.000 2.189 232 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.267 232 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.267 232 G C 0.567 175.522 174.900 0.091 0.000 0.975 232 G CA 0.890 46.037 45.100 0.079 0.000 0.644 232 G HN 0.758 nan 8.290 nan 0.000 0.537 233 Q N -1.619 118.262 119.800 0.134 0.000 2.527 233 Q HA 0.254 4.594 4.340 -0.000 0.000 0.252 233 Q C 1.119 177.201 176.000 0.136 0.000 0.827 233 Q CA 0.088 55.980 55.803 0.148 0.000 0.979 233 Q CB 1.026 29.889 28.738 0.207 0.000 1.248 233 Q HN 0.470 nan 8.270 nan 0.000 0.578 234 R N 0.591 121.179 120.500 0.147 0.000 2.698 234 R HA 0.384 4.724 4.340 -0.000 0.000 0.275 234 R C -1.627 174.673 176.300 -0.001 0.000 1.001 234 R CA -0.730 55.350 56.100 -0.033 0.000 0.896 234 R CB 1.739 31.794 30.300 -0.408 0.000 1.218 234 R HN -0.041 nan 8.270 nan 0.000 0.462 235 D N 1.425 121.760 120.400 -0.108 0.000 2.175 235 D HA 0.371 5.011 4.640 -0.000 0.000 0.248 235 D C -0.765 175.372 176.300 -0.272 0.000 1.047 235 D CA 0.136 54.110 54.000 -0.044 0.000 0.883 235 D CB 1.054 41.846 40.800 -0.014 0.000 1.180 235 D HN 0.137 nan 8.370 nan 0.000 0.438 236 F N 0.841 120.793 119.950 0.002 0.000 2.522 236 F HA 0.407 4.933 4.527 -0.000 0.000 0.324 236 F C 0.665 176.477 175.800 0.020 0.000 1.077 236 F CA -0.632 57.364 58.000 -0.007 0.000 0.944 236 F CB 1.700 40.691 39.000 -0.015 0.000 1.175 236 F HN 0.207 nan 8.300 nan 0.000 0.468 237 Q N 0.029 119.940 119.800 0.186 0.000 2.737 237 Q HA 0.342 4.682 4.340 -0.000 0.000 0.307 237 Q C -1.538 174.572 176.000 0.184 0.000 0.905 237 Q CA -1.301 54.596 55.803 0.158 0.000 0.753 237 Q CB 1.722 30.519 28.738 0.098 0.000 1.463 237 Q HN 0.615 nan 8.270 nan 0.000 0.455 238 Q N 0.871 120.800 119.800 0.215 0.000 2.364 238 Q HA 0.215 4.555 4.340 -0.000 0.000 0.267 238 Q C -0.504 175.566 176.000 0.116 0.000 0.999 238 Q CA -0.172 55.769 55.803 0.230 0.000 0.886 238 Q CB 0.498 29.338 28.738 0.170 0.000 1.243 238 Q HN 0.565 nan 8.270 nan 0.000 0.415 239 I N 6.709 127.328 120.570 0.082 0.000 2.821 239 I HA -0.084 4.086 4.170 -0.000 0.000 0.294 239 I C -1.974 174.163 176.117 0.033 0.000 1.210 239 I CA -1.196 60.129 61.300 0.041 0.000 1.430 239 I CB 0.101 38.097 38.000 -0.007 0.000 1.356 239 I HN 0.447 nan 8.210 nan 0.000 0.563 240 P HA 0.271 nan 4.420 nan 0.000 0.276 240 P C -0.921 176.375 177.300 -0.007 0.000 1.243 240 P CA 0.057 63.163 63.100 0.010 0.000 0.768 240 P CB 0.523 32.217 31.700 -0.010 0.000 0.856 241 L N 2.330 123.558 121.223 0.009 0.000 2.386 241 L HA 0.637 4.977 4.340 -0.000 0.000 0.271 241 L C 0.268 177.134 176.870 -0.007 0.000 0.993 241 L CA -1.160 53.684 54.840 0.006 0.000 0.819 241 L CB 2.148 44.280 42.059 0.121 0.000 1.294 241 L HN 0.246 nan 8.230 nan 0.000 0.414 242 A N 3.189 125.967 122.820 -0.069 0.000 2.671 242 A HA 0.770 5.090 4.320 -0.000 0.000 0.306 242 A C 0.028 177.638 177.584 0.044 0.000 1.473 242 A CA 0.118 52.156 52.037 0.002 0.000 1.155 242 A CB -0.301 18.641 19.000 -0.097 0.000 1.123 242 A HN 0.816 nan 8.150 nan 0.000 0.545 243 A N 1.960 124.772 122.820 -0.013 0.000 2.586 243 A HA 0.686 5.006 4.320 -0.000 0.000 0.296 243 A C -0.523 176.942 177.584 -0.199 0.000 1.040 243 A CA -0.461 51.465 52.037 -0.186 0.000 0.701 243 A CB 0.603 19.312 19.000 -0.485 0.000 1.277 243 A HN 0.676 nan 8.150 nan 0.000 0.413 244 T N 1.571 115.979 114.554 -0.244 0.000 2.840 244 T HA 0.487 4.837 4.350 -0.000 0.000 0.287 244 T C 0.015 174.554 174.700 -0.268 0.000 0.991 244 T CA -0.426 61.557 62.100 -0.195 0.000 0.964 244 T CB 1.213 70.026 68.868 -0.091 0.000 0.954 244 T HN 0.732 nan 8.240 nan 0.000 0.438 245 R N 2.262 122.589 120.500 -0.288 0.000 2.489 245 R HA 0.209 4.549 4.340 -0.000 0.000 0.287 245 R C 0.816 177.027 176.300 -0.148 0.000 1.053 245 R CA -0.240 55.687 56.100 -0.287 0.000 1.036 245 R CB 0.376 30.474 30.300 -0.337 0.000 0.966 245 R HN 0.437 nan 8.270 nan 0.000 0.432 246 R N 1.100 121.565 120.500 -0.059 0.000 2.279 246 R HA 0.137 4.477 4.340 -0.000 0.000 0.195 246 R C 0.217 176.503 176.300 -0.022 0.000 0.905 246 R CA 0.572 56.668 56.100 -0.007 0.000 1.044 246 R CB 0.488 30.832 30.300 0.072 0.000 1.056 246 R HN 0.757 nan 8.270 nan 0.000 0.535 247 S N -1.199 114.493 115.700 -0.012 0.000 2.672 247 S HA 0.389 4.859 4.470 -0.000 0.000 0.271 247 S C -2.611 171.954 174.600 -0.058 0.000 1.171 247 S CA -1.039 57.143 58.200 -0.030 0.000 0.817 247 S CB 2.158 65.358 63.200 -0.000 0.000 1.150 247 S HN -0.273 nan 8.310 nan 0.000 0.478 248 P HA 0.047 nan 4.420 nan 0.000 0.225 248 P C 0.994 178.263 177.300 -0.052 0.000 1.148 248 P CA 1.604 64.659 63.100 -0.074 0.000 0.779 248 P CB -0.158 31.515 31.700 -0.045 0.000 0.780 249 T N -6.507 108.050 114.554 0.005 0.000 3.084 249 T HA 0.293 4.643 4.350 -0.000 0.000 0.270 249 T C -0.216 174.548 174.700 0.107 0.000 1.008 249 T CA -0.354 61.773 62.100 0.044 0.000 0.900 249 T CB -0.584 68.327 68.868 0.072 0.000 1.084 249 T HN -0.122 nan 8.240 nan 0.000 0.538 250 F N 1.397 121.287 119.950 -0.101 0.000 2.573 250 F HA 0.653 5.180 4.527 -0.000 0.000 0.316 250 F C -1.582 174.090 175.800 -0.214 0.000 1.148 250 F CA -1.076 56.859 58.000 -0.107 0.000 0.940 250 F CB 1.992 40.947 39.000 -0.075 0.000 1.214 250 F HN -0.123 nan 8.300 nan 0.000 0.448 251 V N 5.144 124.609 119.914 -0.747 0.000 2.448 251 V HA 0.285 4.405 4.120 -0.000 0.000 0.295 251 V C -0.401 175.085 176.094 -1.012 0.000 1.025 251 V CA -0.827 60.973 62.300 -0.834 0.000 0.859 251 V CB 1.696 32.843 31.823 -1.127 0.000 0.988 251 V HN 0.726 nan 8.190 nan 0.000 0.431 252 E N 4.455 124.357 120.200 -0.497 0.000 1.996 252 E HA 0.156 4.505 4.350 -0.000 0.000 0.280 252 E C -1.087 175.319 176.600 -0.323 0.000 1.092 252 E CA -0.540 55.740 56.400 -0.201 0.000 0.862 252 E CB 0.429 30.178 29.700 0.082 0.000 1.066 252 E HN 0.629 nan 8.360 nan 0.000 0.396 253 W N 2.704 123.897 121.300 -0.178 0.000 2.190 253 W HA 0.110 4.770 4.660 -0.000 0.000 0.330 253 W C 0.690 177.233 176.519 0.040 0.000 1.299 253 W CA -0.503 56.717 57.345 -0.209 0.000 1.215 253 W CB 0.866 29.956 29.460 -0.616 0.000 1.147 253 W HN 0.315 nan 8.180 nan 0.000 0.563 254 S N 1.559 117.473 115.700 0.357 0.000 2.614 254 S HA 0.595 5.065 4.470 -0.000 0.000 0.265 254 S C 0.156 175.197 174.600 0.735 0.000 1.303 254 S CA -0.565 57.916 58.200 0.468 0.000 1.000 254 S CB 1.150 64.621 63.200 0.452 0.000 0.935 254 S HN 0.517 nan 8.310 nan 0.000 0.551 255 S N -0.366 115.706 115.700 0.621 0.000 2.724 255 S HA 0.689 5.159 4.470 -0.000 0.000 0.278 255 S C 0.830 175.629 174.600 0.332 0.000 1.190 255 S CA -0.317 58.181 58.200 0.496 0.000 0.860 255 S CB 0.469 63.888 63.200 0.364 0.000 1.206 255 S HN 0.729 nan 8.310 nan 0.000 0.507 256 A N 1.652 124.559 122.820 0.145 0.000 1.927 256 A HA -0.209 4.110 4.320 -0.000 0.000 0.220 256 A C 2.023 179.657 177.584 0.084 0.000 1.185 256 A CA 2.252 54.334 52.037 0.075 0.000 0.639 256 A CB -1.636 17.378 19.000 0.023 0.000 0.820 256 A HN 0.869 nan 8.150 nan 0.000 0.451 257 N N -0.614 118.145 118.700 0.098 0.000 2.149 257 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 257 N C 1.550 177.090 175.510 0.050 0.000 1.019 257 N CA 2.058 55.141 53.050 0.055 0.000 0.857 257 N CB -0.243 38.289 38.487 0.075 0.000 0.997 257 N HN 0.489 nan 8.380 nan 0.000 0.426 258 T N 0.452 115.084 114.554 0.129 0.000 2.788 258 T HA -0.068 4.282 4.350 -0.000 0.000 0.268 258 T C 2.071 176.808 174.700 0.062 0.000 1.044 258 T CA 1.202 63.382 62.100 0.133 0.000 1.139 258 T CB -0.226 68.798 68.868 0.261 0.000 0.867 258 T HN 0.063 nan 8.240 nan 0.000 0.454 259 V N -0.516 119.418 119.914 0.034 0.000 2.379 259 V HA 0.179 4.298 4.120 -0.000 0.000 0.245 259 V C 0.478 176.533 176.094 -0.065 0.000 1.044 259 V CA 0.910 63.150 62.300 -0.099 0.000 1.036 259 V CB -0.357 31.360 31.823 -0.177 0.000 0.664 259 V HN 0.481 nan 8.190 nan 0.000 0.453 260 F N 0.993 120.821 119.950 -0.203 0.000 2.605 260 F HA 0.392 4.919 4.527 -0.000 0.000 0.320 260 F C 0.210 175.899 175.800 -0.186 0.000 1.159 260 F CA -1.683 56.168 58.000 -0.248 0.000 0.999 260 F CB 1.455 40.257 39.000 -0.330 0.000 1.258 260 F HN 0.145 nan 8.300 nan 0.000 0.464 261 D N 4.860 124.813 120.400 -0.745 0.000 2.371 261 D HA -0.044 4.596 4.640 -0.000 0.000 0.221 261 D C 1.177 177.202 176.300 -0.459 0.000 0.986 261 D CA 1.086 54.800 54.000 -0.477 0.000 0.899 261 D CB -0.053 40.521 40.800 -0.377 0.000 0.902 261 D HN 0.697 nan 8.370 nan 0.000 0.530 262 L N -1.966 118.811 121.223 -0.742 0.000 4.696 262 L HA -0.239 4.101 4.340 -0.000 0.000 0.425 262 L C -0.192 176.654 176.870 -0.041 0.000 1.115 262 L CA 0.470 55.177 54.840 -0.220 0.000 0.996 262 L CB -1.388 40.684 42.059 0.022 0.000 2.077 262 L HN 0.223 nan 8.230 nan 0.000 0.792 263 Q N 1.037 120.717 119.800 -0.200 0.000 2.332 263 Q HA 0.217 4.556 4.340 -0.000 0.000 0.263 263 Q C 0.387 176.446 176.000 0.098 0.000 0.979 263 Q CA -0.064 55.701 55.803 -0.064 0.000 0.885 263 Q CB 0.618 29.281 28.738 -0.125 0.000 1.218 263 Q HN 0.139 nan 8.270 nan 0.000 0.405 264 N N 2.052 120.801 118.700 0.082 0.000 2.454 264 N HA 0.064 4.804 4.740 -0.000 0.000 0.254 264 N C -0.256 175.307 175.510 0.088 0.000 1.228 264 N CA 0.437 53.536 53.050 0.082 0.000 0.900 264 N CB 0.575 39.020 38.487 -0.070 0.000 1.089 264 N HN 0.258 nan 8.380 nan 0.000 0.449 265 R N 1.281 121.859 120.500 0.129 0.000 2.807 265 R HA 0.505 4.844 4.340 -0.000 0.000 0.276 265 R C -2.437 173.898 176.300 0.058 0.000 0.979 265 R CA -1.621 54.540 56.100 0.101 0.000 0.928 265 R CB 1.773 32.161 30.300 0.147 0.000 1.191 265 R HN 0.382 nan 8.270 nan 0.000 0.471 266 P HA 0.100 nan 4.420 nan 0.000 0.272 266 P C -1.326 176.017 177.300 0.073 0.000 1.223 266 P CA -0.256 62.911 63.100 0.111 0.000 0.784 266 P CB 0.656 32.477 31.700 0.201 0.000 0.923 267 N N -1.249 117.485 118.700 0.058 0.000 2.972 267 N HA 0.256 4.996 4.740 -0.000 0.000 0.262 267 N C 0.517 176.042 175.510 0.026 0.000 1.478 267 N CA -0.740 52.329 53.050 0.031 0.000 0.841 267 N CB -0.538 37.954 38.487 0.008 0.000 1.512 267 N HN 0.035 nan 8.380 nan 0.000 0.548 268 T N -0.959 113.601 114.554 0.011 0.000 2.833 268 T HA -0.080 4.270 4.350 -0.000 0.000 0.269 268 T C 0.415 175.117 174.700 0.004 0.000 1.054 268 T CA 1.385 63.490 62.100 0.007 0.000 1.135 268 T CB -0.403 68.465 68.868 0.000 0.000 0.869 268 T HN 0.503 nan 8.240 nan 0.000 0.466 269 D N 0.712 121.110 120.400 -0.004 0.000 2.323 269 D HA 0.193 4.833 4.640 -0.000 0.000 0.209 269 D C 0.744 177.043 176.300 -0.001 0.000 0.973 269 D CA 0.325 54.319 54.000 -0.010 0.000 0.874 269 D CB 0.271 41.055 40.800 -0.026 0.000 0.930 269 D HN 0.342 nan 8.370 nan 0.000 0.521 270 A N 1.340 124.168 122.820 0.013 0.000 3.370 270 A HA 0.271 4.590 4.320 -0.000 0.000 0.295 270 A C -1.984 175.643 177.584 0.071 0.000 1.030 270 A CA -0.761 51.297 52.037 0.035 0.000 0.883 270 A CB 0.836 19.852 19.000 0.026 0.000 1.191 270 A HN -0.128 nan 8.150 nan 0.000 0.507 271 P HA -0.074 nan 4.420 nan 0.000 0.229 271 P C 0.452 177.861 177.300 0.182 0.000 1.160 271 P CA 1.064 64.222 63.100 0.097 0.000 0.777 271 P CB 0.354 32.083 31.700 0.048 0.000 0.814 272 E N -0.483 119.826 120.200 0.183 0.000 2.501 272 E HA 0.122 4.472 4.350 -0.000 0.000 0.201 272 E C 0.225 177.025 176.600 0.334 0.000 1.016 272 E CA -0.112 56.472 56.400 0.307 0.000 0.920 272 E CB 0.325 30.121 29.700 0.159 0.000 1.023 272 E HN 0.441 nan 8.360 nan 0.000 0.474 273 E N 1.080 121.400 120.200 0.200 0.000 2.250 273 E HA 0.452 4.802 4.350 -0.000 0.000 0.269 273 E C -0.305 176.309 176.600 0.022 0.000 1.018 273 E CA -0.595 55.868 56.400 0.106 0.000 0.873 273 E CB 1.355 31.122 29.700 0.110 0.000 1.134 273 E HN -0.094 nan 8.360 nan 0.000 0.403 274 R N 1.759 122.250 120.500 -0.016 0.000 2.500 274 R HA 0.402 4.741 4.340 -0.000 0.000 0.299 274 R C -1.637 174.730 176.300 0.112 0.000 1.038 274 R CA -0.513 55.548 56.100 -0.065 0.000 0.903 274 R CB 0.953 31.092 30.300 -0.268 0.000 1.177 274 R HN 0.382 nan 8.270 nan 0.000 0.455 275 F N 2.182 122.107 119.950 -0.042 0.000 2.604 275 F HA 0.461 4.988 4.527 -0.000 0.000 0.316 275 F C -1.654 174.078 175.800 -0.114 0.000 1.136 275 F CA -0.702 57.273 58.000 -0.041 0.000 0.989 275 F CB 2.037 41.087 39.000 0.083 0.000 1.258 275 F HN 0.382 nan 8.300 nan 0.000 0.451 276 N N 4.580 122.606 118.700 -1.124 0.000 2.295 276 N HA 0.599 5.339 4.740 -0.000 0.000 0.293 276 N C -2.080 172.405 175.510 -1.708 0.000 1.040 276 N CA -0.636 51.684 53.050 -1.216 0.000 0.840 276 N CB 2.378 40.309 38.487 -0.927 0.000 1.468 276 N HN 0.570 nan 8.380 nan 0.000 0.478 277 L N 2.437 122.883 121.223 -1.296 0.000 2.296 277 L HA 0.640 4.980 4.340 -0.000 0.000 0.286 277 L C -1.670 174.668 176.870 -0.886 0.000 1.023 277 L CA -0.320 54.010 54.840 -0.851 0.000 0.812 277 L CB 0.200 42.103 42.059 -0.260 0.000 1.223 277 L HN 0.474 nan 8.230 nan 0.000 0.421 278 F N 6.492 126.196 119.950 -0.410 0.000 2.359 278 F HA 0.536 5.062 4.527 -0.000 0.000 0.370 278 F C -2.119 173.630 175.800 -0.085 0.000 1.077 278 F CA -2.076 55.776 58.000 -0.247 0.000 1.136 278 F CB 0.677 39.501 39.000 -0.292 0.000 1.387 278 F HN 0.417 nan 8.300 nan 0.000 0.468 279 P HA 0.315 nan 4.420 nan 0.000 0.276 279 P C 0.032 177.390 177.300 0.096 0.000 1.261 279 P CA -0.138 63.005 63.100 0.072 0.000 0.800 279 P CB 1.040 32.762 31.700 0.035 0.000 1.066 280 A N -1.005 121.856 122.820 0.068 0.000 2.869 280 A HA -0.099 4.221 4.320 -0.000 0.000 0.280 280 A C -0.055 177.558 177.584 0.049 0.000 1.458 280 A CA 0.718 52.787 52.037 0.052 0.000 0.776 280 A CB -2.437 16.592 19.000 0.049 0.000 1.028 280 A HN 0.256 nan 8.150 nan 0.000 0.547 281 V N -0.292 119.667 119.914 0.075 0.000 2.407 281 V HA 0.683 4.802 4.120 -0.000 0.000 0.291 281 V C 0.600 176.701 176.094 0.012 0.000 1.018 281 V CA -0.331 62.010 62.300 0.067 0.000 0.842 281 V CB 1.544 33.491 31.823 0.206 0.000 0.996 281 V HN 1.478 nan 8.190 nan 0.000 0.426 282 A N 4.171 126.971 122.820 -0.034 0.000 2.354 282 A HA 0.475 4.795 4.320 -0.000 0.000 0.281 282 A C 0.101 177.660 177.584 -0.041 0.000 1.174 282 A CA -0.166 51.837 52.037 -0.057 0.000 0.828 282 A CB -0.034 18.963 19.000 -0.006 0.000 1.099 282 A HN 0.868 nan 8.150 nan 0.000 0.516 283 C N 2.674 121.927 119.300 -0.078 0.000 2.347 283 C HA 0.376 4.836 4.460 -0.000 0.000 0.353 283 C C 1.364 176.319 174.990 -0.059 0.000 1.273 283 C CA -0.258 58.705 59.018 -0.091 0.000 1.861 283 C CB -0.160 27.519 27.740 -0.101 0.000 2.420 283 C HN 1.021 nan 8.230 nan 0.000 0.542 284 E N 0.955 121.139 120.200 -0.027 0.000 2.332 284 E HA 0.102 4.452 4.350 -0.000 0.000 0.202 284 E C 0.324 176.901 176.600 -0.038 0.000 0.877 284 E CA 0.293 56.684 56.400 -0.015 0.000 0.979 284 E CB 0.520 30.236 29.700 0.027 0.000 0.969 284 E HN 0.770 nan 8.360 nan 0.000 0.495 285 R N 0.015 120.491 120.500 -0.040 0.000 2.690 285 R HA 0.440 4.780 4.340 -0.000 0.000 0.269 285 R C -0.874 175.349 176.300 -0.128 0.000 1.037 285 R CA -0.841 55.204 56.100 -0.091 0.000 0.877 285 R CB 1.061 31.290 30.300 -0.117 0.000 1.255 285 R HN -0.076 nan 8.270 nan 0.000 0.467 286 V N -0.767 119.059 119.914 -0.146 0.000 2.547 286 V HA 0.692 4.812 4.120 -0.000 0.000 0.299 286 V C -0.107 175.856 176.094 -0.220 0.000 1.040 286 V CA -0.869 61.307 62.300 -0.206 0.000 0.913 286 V CB 1.777 33.460 31.823 -0.234 0.000 0.992 286 V HN 0.514 nan 8.190 nan 0.000 0.449 287 V N 5.084 124.840 119.914 -0.263 0.000 2.370 287 V HA 0.486 4.606 4.120 -0.000 0.000 0.279 287 V C 0.532 176.551 176.094 -0.124 0.000 1.029 287 V CA -0.509 61.657 62.300 -0.223 0.000 0.870 287 V CB 0.958 32.636 31.823 -0.241 0.000 0.984 287 V HN 0.947 nan 8.190 nan 0.000 0.451 288 R N 3.762 124.215 120.500 -0.077 0.000 2.441 288 R HA 0.305 4.645 4.340 -0.000 0.000 0.284 288 R C 0.380 176.693 176.300 0.021 0.000 1.070 288 R CA -0.603 55.527 56.100 0.050 0.000 1.047 288 R CB 0.667 30.987 30.300 0.033 0.000 1.016 288 R HN 0.869 nan 8.270 nan 0.000 0.477 289 N N 1.610 120.339 118.700 0.048 0.000 2.288 289 N HA -0.044 4.695 4.740 -0.000 0.000 0.237 289 N C 0.581 176.078 175.510 -0.021 0.000 1.311 289 N CA 0.281 53.333 53.050 0.004 0.000 0.909 289 N CB 0.386 38.873 38.487 0.000 0.000 1.167 289 N HN 0.583 nan 8.380 nan 0.000 0.476 290 A N 0.259 123.062 122.820 -0.029 0.000 1.972 290 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 290 A C 2.226 179.778 177.584 -0.052 0.000 1.169 290 A CA 0.918 52.933 52.037 -0.037 0.000 0.635 290 A CB -0.759 18.223 19.000 -0.029 0.000 0.810 290 A HN 0.643 nan 8.150 nan 0.000 0.446 291 L N -0.916 120.267 121.223 -0.066 0.000 2.554 291 L HA -0.013 4.327 4.340 -0.000 0.000 0.226 291 L C 0.040 176.816 176.870 -0.158 0.000 1.137 291 L CA 0.007 54.792 54.840 -0.092 0.000 0.863 291 L CB -0.368 41.639 42.059 -0.088 0.000 0.985 291 L HN 0.398 nan 8.230 nan 0.000 0.451 292 N N 0.071 118.662 118.700 -0.182 0.000 2.738 292 N HA -0.175 4.564 4.740 -0.000 0.000 0.249 292 N C 0.869 175.805 175.510 -0.957 0.000 1.047 292 N CA 1.027 53.866 53.050 -0.352 0.000 0.707 292 N CB -1.164 37.253 38.487 -0.117 0.000 0.937 292 N HN 0.526 nan 8.380 nan 0.000 0.545 293 S N -2.132 113.131 115.700 -0.727 0.000 2.604 293 S HA 0.250 4.720 4.470 -0.000 0.000 0.235 293 S C 0.315 174.665 174.600 -0.416 0.000 1.043 293 S CA -0.190 57.634 58.200 -0.627 0.000 0.997 293 S CB 1.592 64.636 63.200 -0.260 0.000 0.956 293 S HN 0.393 nan 8.310 nan 0.000 0.535 294 E N 0.327 120.409 120.200 -0.197 0.000 2.372 294 E HA 0.441 4.791 4.350 -0.000 0.000 0.279 294 E C -1.675 175.101 176.600 0.293 0.000 0.946 294 E CA -0.870 55.620 56.400 0.151 0.000 0.769 294 E CB 1.375 31.136 29.700 0.101 0.000 1.230 294 E HN 0.084 nan 8.360 nan 0.000 0.442 295 I N 3.488 124.201 120.570 0.239 0.000 2.365 295 I HA 0.135 4.305 4.170 -0.000 0.000 0.291 295 I C 0.832 176.889 176.117 -0.099 0.000 1.004 295 I CA 0.028 61.290 61.300 -0.062 0.000 1.311 295 I CB 1.254 38.976 38.000 -0.465 0.000 1.401 295 I HN 0.684 nan 8.210 nan 0.000 0.491 296 E N 3.266 123.408 120.200 -0.097 0.000 2.431 296 E HA 0.087 4.437 4.350 -0.000 0.000 0.200 296 E C 0.221 176.864 176.600 0.072 0.000 0.995 296 E CA 0.304 56.723 56.400 0.030 0.000 0.915 296 E CB 0.582 30.303 29.700 0.034 0.000 0.930 296 E HN 0.729 nan 8.360 nan 0.000 0.496 297 S N -0.447 115.210 115.700 -0.072 0.000 2.627 297 S HA 0.471 4.940 4.470 -0.000 0.000 0.268 297 S C -1.559 173.033 174.600 -0.014 0.000 1.130 297 S CA -1.082 57.185 58.200 0.112 0.000 0.819 297 S CB 1.163 64.484 63.200 0.200 0.000 1.100 297 S HN 0.016 nan 8.310 nan 0.000 0.465 298 L N 1.790 123.135 121.223 0.203 0.000 2.325 298 L HA 0.580 4.920 4.340 -0.000 0.000 0.281 298 L C -0.843 176.138 176.870 0.184 0.000 1.004 298 L CA -0.149 54.763 54.840 0.120 0.000 0.823 298 L CB 1.163 43.314 42.059 0.152 0.000 1.236 298 L HN 0.917 nan 8.230 nan 0.000 0.415 299 H N 6.211 125.241 119.070 -0.066 0.000 2.562 299 H HA 0.520 5.076 4.556 -0.000 0.000 0.314 299 H C -0.368 174.908 175.328 -0.087 0.000 1.079 299 H CA -0.486 55.527 56.048 -0.058 0.000 1.349 299 H CB 1.345 31.076 29.762 -0.051 0.000 1.432 299 H HN 0.688 nan 8.280 nan 0.000 0.479 300 I N 0.150 120.712 120.570 -0.013 0.000 2.892 300 I HA 0.420 4.590 4.170 -0.000 0.000 0.306 300 I C -0.960 175.215 176.117 0.096 0.000 1.078 300 I CA -0.939 60.332 61.300 -0.049 0.000 1.032 300 I CB 3.081 40.922 38.000 -0.267 0.000 1.229 300 I HN 0.597 nan 8.210 nan 0.000 0.435 301 H N 2.971 122.034 119.070 -0.011 0.000 3.013 301 H HA 0.230 4.786 4.556 -0.000 0.000 0.326 301 H C -1.596 173.772 175.328 0.066 0.000 0.973 301 H CA -0.682 55.380 56.048 0.025 0.000 1.369 301 H CB 1.569 31.340 29.762 0.015 0.000 1.598 301 H HN 0.791 nan 8.280 nan 0.000 0.518 302 D N 5.441 125.899 120.400 0.097 0.000 2.343 302 D HA 0.009 4.649 4.640 -0.000 0.000 0.255 302 D C 1.031 177.206 176.300 -0.208 0.000 1.187 302 D CA -0.109 53.898 54.000 0.012 0.000 0.875 302 D CB 1.126 42.034 40.800 0.180 0.000 1.136 302 D HN 0.678 nan 8.370 nan 0.000 0.469 303 L N 4.136 125.234 121.223 -0.209 0.000 2.478 303 L HA -0.062 4.278 4.340 -0.000 0.000 0.223 303 L C 1.735 178.558 176.870 -0.078 0.000 1.140 303 L CA 0.010 54.713 54.840 -0.230 0.000 0.842 303 L CB 0.018 42.022 42.059 -0.092 0.000 0.953 303 L HN 0.503 nan 8.230 nan 0.000 0.452 304 I N -0.738 119.821 120.570 -0.020 0.000 2.512 304 I HA -0.098 4.072 4.170 -0.000 0.000 0.247 304 I C 2.676 178.812 176.117 0.031 0.000 1.094 304 I CA 1.481 62.791 61.300 0.017 0.000 1.427 304 I CB -1.068 36.954 38.000 0.037 0.000 1.149 304 I HN 0.222 nan 8.210 nan 0.000 0.438 305 S N 0.445 116.177 115.700 0.053 0.000 2.446 305 S HA 0.108 4.578 4.470 -0.000 0.000 0.225 305 S C 1.829 176.472 174.600 0.072 0.000 1.016 305 S CA 0.833 59.076 58.200 0.071 0.000 0.943 305 S CB 0.023 63.288 63.200 0.109 0.000 0.786 305 S HN 0.605 nan 8.310 nan 0.000 0.508 306 G N 1.124 109.972 108.800 0.080 0.000 2.176 306 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.253 306 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.253 306 G C -0.360 174.648 174.900 0.179 0.000 0.979 306 G CA 0.179 45.374 45.100 0.159 0.000 0.641 306 G HN 0.570 nan 8.290 nan 0.000 0.530 307 D N 0.444 120.907 120.400 0.105 0.000 2.362 307 D HA 0.501 5.140 4.640 -0.000 0.000 0.242 307 D C 1.027 177.268 176.300 -0.098 0.000 1.132 307 D CA 0.254 54.203 54.000 -0.086 0.000 0.907 307 D CB 0.618 41.304 40.800 -0.190 0.000 1.195 307 D HN 0.438 nan 8.370 nan 0.000 0.429 308 R N 0.481 120.750 120.500 -0.384 0.000 2.732 308 R HA 0.670 5.009 4.340 -0.000 0.000 0.278 308 R C -0.760 175.130 176.300 -0.683 0.000 0.976 308 R CA -0.668 55.248 56.100 -0.308 0.000 0.963 308 R CB 1.350 31.510 30.300 -0.233 0.000 1.150 308 R HN 0.289 nan 8.270 nan 0.000 0.478 309 F N -0.265 119.599 119.950 -0.144 0.000 2.613 309 F HA 0.326 4.852 4.527 -0.000 0.000 0.310 309 F C -0.322 175.337 175.800 -0.235 0.000 1.085 309 F CA -0.949 56.956 58.000 -0.159 0.000 0.945 309 F CB 2.183 41.110 39.000 -0.122 0.000 1.298 309 F HN 0.292 nan 8.300 nan 0.000 0.455 310 E N 2.808 122.998 120.200 -0.017 0.000 2.133 310 E HA 0.467 4.816 4.350 -0.000 0.000 0.274 310 E C -1.005 175.653 176.600 0.096 0.000 0.930 310 E CA -0.614 55.769 56.400 -0.028 0.000 0.770 310 E CB 1.663 31.337 29.700 -0.044 0.000 1.104 310 E HN 0.242 nan 8.360 nan 0.000 0.403 311 I N 3.100 123.739 120.570 0.114 0.000 2.359 311 I HA 0.252 4.422 4.170 -0.000 0.000 0.294 311 I C 0.284 176.541 176.117 0.235 0.000 0.987 311 I CA -0.641 60.751 61.300 0.153 0.000 1.225 311 I CB 0.969 39.033 38.000 0.107 0.000 1.366 311 I HN 0.331 nan 8.210 nan 0.000 0.466 312 K N 4.621 125.145 120.400 0.207 0.000 2.182 312 K HA 0.823 5.143 4.320 -0.000 0.000 0.262 312 K C -0.690 175.986 176.600 0.126 0.000 0.957 312 K CA -0.497 55.920 56.287 0.217 0.000 0.842 312 K CB 2.762 35.351 32.500 0.148 0.000 1.099 312 K HN 0.790 nan 8.250 nan 0.000 0.438 313 A N 1.781 124.590 122.820 -0.019 0.000 2.566 313 A HA 0.356 4.676 4.320 -0.000 0.000 0.292 313 A C -0.181 177.266 177.584 -0.227 0.000 1.112 313 A CA -0.630 51.259 52.037 -0.247 0.000 0.707 313 A CB 1.003 19.668 19.000 -0.558 0.000 1.302 313 A HN 0.654 nan 8.150 nan 0.000 0.409 314 D N -0.454 119.862 120.400 -0.139 0.000 2.194 314 D HA 0.088 4.728 4.640 -0.000 0.000 0.204 314 D C 0.312 176.489 176.300 -0.204 0.000 0.964 314 D CA 1.614 55.590 54.000 -0.039 0.000 0.846 314 D CB 0.157 41.003 40.800 0.076 0.000 0.962 314 D HN 0.207 nan 8.370 nan 0.000 0.490 315 V N 0.711 120.361 119.914 -0.440 0.000 2.588 315 V HA 0.279 4.399 4.120 -0.000 0.000 0.304 315 V C -1.250 174.573 176.094 -0.451 0.000 1.042 315 V CA -0.877 61.164 62.300 -0.432 0.000 0.877 315 V CB 1.805 33.260 31.823 -0.612 0.000 0.996 315 V HN -0.062 nan 8.190 nan 0.000 0.425 316 Y N 2.880 123.163 120.300 -0.028 0.000 2.328 316 Y HA 0.689 5.239 4.550 -0.000 0.000 0.336 316 Y C -0.118 175.749 175.900 -0.055 0.000 0.960 316 Y CA -0.915 57.160 58.100 -0.042 0.000 1.134 316 Y CB 2.131 40.568 38.460 -0.037 0.000 1.166 316 Y HN 0.354 nan 8.280 nan 0.000 0.464 317 V N 5.554 125.436 119.914 -0.053 0.000 2.444 317 V HA 0.391 4.511 4.120 -0.000 0.000 0.294 317 V C -0.470 175.494 176.094 -0.217 0.000 1.022 317 V CA -0.912 61.242 62.300 -0.243 0.000 0.850 317 V CB 1.588 33.057 31.823 -0.591 0.000 0.992 317 V HN 0.589 nan 8.190 nan 0.000 0.426 318 L N 5.192 126.283 121.223 -0.219 0.000 2.262 318 L HA 0.560 4.900 4.340 -0.000 0.000 0.288 318 L C 0.389 177.155 176.870 -0.174 0.000 1.035 318 L CA -0.188 54.544 54.840 -0.181 0.000 0.820 318 L CB 1.447 43.382 42.059 -0.206 0.000 1.204 318 L HN 0.803 nan 8.230 nan 0.000 0.424 319 T N -1.639 112.849 114.554 -0.110 0.000 3.624 319 T HA 0.377 4.727 4.350 -0.000 0.000 0.244 319 T C 0.655 175.360 174.700 0.008 0.000 1.063 319 T CA -0.115 61.961 62.100 -0.040 0.000 1.252 319 T CB 1.016 69.859 68.868 -0.041 0.000 1.021 319 T HN 0.541 nan 8.240 nan 0.000 0.590 320 A N 0.788 123.623 122.820 0.025 0.000 2.307 320 A HA 0.772 5.091 4.320 -0.000 0.000 0.218 320 A C 1.375 179.034 177.584 0.124 0.000 1.228 320 A CA 0.076 52.151 52.037 0.063 0.000 0.857 320 A CB -0.709 18.326 19.000 0.057 0.000 0.897 320 A HN 1.736 nan 8.150 nan 0.000 0.495 321 G N -2.519 106.352 108.800 0.119 0.000 2.663 321 G HA2 0.268 4.228 3.960 -0.000 0.000 0.686 321 G HA3 0.268 4.228 3.960 -0.000 0.000 0.686 321 G C 0.737 175.737 174.900 0.166 0.000 1.246 321 G CA -0.296 44.885 45.100 0.135 0.000 0.795 321 G HN 1.279 nan 8.290 nan 0.000 0.627 322 A N -0.087 122.817 122.820 0.140 0.000 1.940 322 A HA 0.173 4.492 4.320 -0.000 0.000 0.219 322 A C 2.661 180.327 177.584 0.137 0.000 1.176 322 A CA 3.255 55.368 52.037 0.127 0.000 0.631 322 A CB -0.377 18.665 19.000 0.070 0.000 0.814 322 A HN 1.608 nan 8.150 nan 0.000 0.446 323 V N -0.926 119.026 119.914 0.062 0.000 2.302 323 V HA -0.209 3.911 4.120 -0.000 0.000 0.243 323 V C 2.241 178.341 176.094 0.010 0.000 1.036 323 V CA 2.183 64.482 62.300 -0.001 0.000 1.020 323 V CB -1.064 30.654 31.823 -0.174 0.000 0.657 323 V HN 0.740 nan 8.190 nan 0.000 0.453 324 H N -0.191 118.953 119.070 0.124 0.000 2.462 324 H HA -0.046 4.510 4.556 -0.000 0.000 0.292 324 H C 2.288 177.614 175.328 -0.004 0.000 1.049 324 H CA 1.070 57.146 56.048 0.047 0.000 1.334 324 H CB 0.076 29.845 29.762 0.013 0.000 1.404 324 H HN 0.326 nan 8.280 nan 0.000 0.544 325 N N -0.103 118.670 118.700 0.122 0.000 2.084 325 N HA -0.120 4.619 4.740 -0.000 0.000 0.190 325 N C 1.791 177.288 175.510 -0.021 0.000 1.030 325 N CA 1.750 54.804 53.050 0.006 0.000 0.849 325 N CB -0.508 37.960 38.487 -0.032 0.000 1.012 325 N HN 0.325 nan 8.380 nan 0.000 0.423 326 T N 0.831 115.446 114.554 0.103 0.000 2.720 326 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 326 T C 1.844 176.431 174.700 -0.188 0.000 1.037 326 T CA 1.209 63.368 62.100 0.100 0.000 1.144 326 T CB -0.248 68.820 68.868 0.332 0.000 0.864 326 T HN 0.359 nan 8.240 nan 0.000 0.444 327 Q N 0.048 119.642 119.800 -0.344 0.000 2.084 327 Q HA -0.109 4.230 4.340 -0.000 0.000 0.202 327 Q C 2.303 178.044 176.000 -0.433 0.000 0.978 327 Q CA 1.102 56.392 55.803 -0.856 0.000 0.844 327 Q CB -0.232 28.273 28.738 -0.389 0.000 0.898 327 Q HN 0.350 nan 8.270 nan 0.000 0.426 328 L N 0.606 121.702 121.223 -0.211 0.000 2.046 328 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 328 L C 2.032 178.819 176.870 -0.138 0.000 1.077 328 L CA 1.548 56.299 54.840 -0.149 0.000 0.747 328 L CB -0.579 41.412 42.059 -0.114 0.000 0.896 328 L HN 0.298 nan 8.230 nan 0.000 0.432 329 L N -1.961 119.166 121.223 -0.160 0.000 2.017 329 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 329 L C 2.417 179.319 176.870 0.054 0.000 1.073 329 L CA 1.046 55.825 54.840 -0.101 0.000 0.745 329 L CB -0.661 41.242 42.059 -0.259 0.000 0.894 329 L HN 0.072 nan 8.230 nan 0.000 0.432 330 V N -0.055 119.820 119.914 -0.065 0.000 2.407 330 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 330 V C 2.100 178.165 176.094 -0.049 0.000 1.055 330 V CA 1.950 64.232 62.300 -0.030 0.000 1.049 330 V CB -0.728 31.041 31.823 -0.090 0.000 0.662 330 V HN 0.481 nan 8.190 nan 0.000 0.455 331 N N 0.080 118.708 118.700 -0.119 0.000 2.520 331 N HA -0.103 4.637 4.740 -0.000 0.000 0.185 331 N C 1.555 177.033 175.510 -0.054 0.000 1.068 331 N CA 1.184 54.185 53.050 -0.081 0.000 0.911 331 N CB -0.056 38.371 38.487 -0.099 0.000 0.961 331 N HN 0.419 nan 8.380 nan 0.000 0.446 332 S N -1.692 113.996 115.700 -0.020 0.000 2.540 332 S HA 0.328 4.798 4.470 -0.000 0.000 0.218 332 S C 1.099 175.645 174.600 -0.090 0.000 0.977 332 S CA 0.251 58.435 58.200 -0.026 0.000 0.918 332 S CB 0.663 63.907 63.200 0.073 0.000 0.806 332 S HN 0.520 nan 8.310 nan 0.000 0.496 333 G N 1.071 109.831 108.800 -0.067 0.000 2.159 333 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.227 333 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.227 333 G C -0.057 174.713 174.900 -0.217 0.000 0.986 333 G CA -0.569 44.441 45.100 -0.150 0.000 0.651 333 G HN 0.412 nan 8.290 nan 0.000 0.523 334 F N 0.862 120.773 119.950 -0.065 0.000 2.380 334 F HA 0.534 5.061 4.527 -0.000 0.000 0.325 334 F C 1.660 177.462 175.800 0.003 0.000 1.136 334 F CA 1.014 58.990 58.000 -0.040 0.000 1.171 334 F CB 0.869 39.817 39.000 -0.086 0.000 1.230 334 F HN 0.753 nan 8.300 nan 0.000 0.554 335 G N 1.678 110.619 108.800 0.235 0.000 2.574 335 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.282 335 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.282 335 G C -0.766 174.203 174.900 0.116 0.000 1.257 335 G CA -0.017 45.185 45.100 0.171 0.000 0.956 335 G HN 0.810 nan 8.290 nan 0.000 0.560 336 Q N -1.115 118.759 119.800 0.123 0.000 2.304 336 Q HA 0.621 4.961 4.340 -0.000 0.000 0.270 336 Q C -0.805 175.276 176.000 0.134 0.000 1.035 336 Q CA -0.987 54.870 55.803 0.090 0.000 0.781 336 Q CB 1.700 30.471 28.738 0.055 0.000 1.261 336 Q HN 0.809 nan 8.270 nan 0.000 0.444 337 L N 3.604 124.896 121.223 0.115 0.000 2.397 337 L HA 0.728 5.068 4.340 -0.000 0.000 0.271 337 L C 0.378 177.329 176.870 0.134 0.000 1.148 337 L CA 1.854 56.789 54.840 0.159 0.000 0.825 337 L CB 0.913 43.040 42.059 0.114 0.000 1.117 337 L HN 0.832 nan 8.230 nan 0.000 0.456 338 G N 3.642 112.577 108.800 0.225 0.000 2.728 338 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.294 338 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.294 338 G C -0.483 174.317 174.900 -0.165 0.000 1.342 338 G CA -0.222 44.972 45.100 0.157 0.000 0.866 338 G HN 0.911 nan 8.290 nan 0.000 0.534 339 R N 0.731 120.922 120.500 -0.515 0.000 2.522 339 R HA 0.345 4.685 4.340 -0.000 0.000 0.284 339 R C -1.913 173.938 176.300 -0.747 0.000 1.032 339 R CA -0.555 54.807 56.100 -1.229 0.000 1.049 339 R CB -0.040 29.822 30.300 -0.731 0.000 0.956 339 R HN 0.343 nan 8.270 nan 0.000 0.422 340 P HA -0.056 nan 4.420 nan 0.000 0.265 340 P C -1.279 175.858 177.300 -0.272 0.000 1.193 340 P CA 0.432 63.283 63.100 -0.415 0.000 0.765 340 P CB 0.399 31.878 31.700 -0.369 0.000 0.823 341 N N 3.222 121.822 118.700 -0.166 0.000 2.609 341 N HA 0.181 4.921 4.740 -0.000 0.000 0.268 341 N C -1.871 173.595 175.510 -0.073 0.000 1.106 341 N CA -1.843 51.138 53.050 -0.115 0.000 0.823 341 N CB 1.295 39.722 38.487 -0.100 0.000 1.263 341 N HN 0.174 nan 8.380 nan 0.000 0.533 342 P HA -0.065 nan 4.420 nan 0.000 0.226 342 P C 0.840 178.123 177.300 -0.029 0.000 1.153 342 P CA 0.611 63.686 63.100 -0.041 0.000 0.777 342 P CB 0.241 31.916 31.700 -0.041 0.000 0.794 343 A N -0.292 122.508 122.820 -0.034 0.000 2.239 343 A HA -0.063 4.257 4.320 -0.000 0.000 0.209 343 A C 1.083 178.654 177.584 -0.022 0.000 1.171 343 A CA 0.430 52.452 52.037 -0.025 0.000 0.768 343 A CB -1.201 17.783 19.000 -0.027 0.000 0.790 343 A HN 0.355 nan 8.150 nan 0.000 0.478 344 N N -0.124 118.561 118.700 -0.024 0.000 2.785 344 N HA 0.196 4.936 4.740 -0.000 0.000 0.224 344 N C -3.395 172.107 175.510 -0.012 0.000 1.448 344 N CA -1.036 52.003 53.050 -0.018 0.000 0.748 344 N CB 1.245 39.718 38.487 -0.024 0.000 1.385 344 N HN -0.051 nan 8.380 nan 0.000 0.538 345 P HA 0.332 nan 4.420 nan 0.000 0.278 345 P C -2.566 174.743 177.300 0.015 0.000 1.238 345 P CA -0.997 62.108 63.100 0.008 0.000 0.794 345 P CB 0.443 32.151 31.700 0.014 0.000 0.955 346 P HA 0.126 nan 4.420 nan 0.000 0.274 346 P C 0.713 178.034 177.300 0.035 0.000 1.246 346 P CA -0.107 63.012 63.100 0.033 0.000 0.795 346 P CB 1.173 32.908 31.700 0.058 0.000 1.006 347 E N -0.100 120.114 120.200 0.022 0.000 2.107 347 E HA -0.014 4.336 4.350 -0.000 0.000 0.191 347 E C 0.148 176.776 176.600 0.046 0.000 0.982 347 E CA 0.760 57.172 56.400 0.019 0.000 0.809 347 E CB 0.097 29.794 29.700 -0.006 0.000 0.756 347 E HN 0.388 nan 8.360 nan 0.000 0.459 348 L N 0.791 122.053 121.223 0.065 0.000 2.365 348 L HA 0.295 4.635 4.340 -0.000 0.000 0.273 348 L C -0.032 176.963 176.870 0.209 0.000 1.000 348 L CA -0.747 54.176 54.840 0.139 0.000 0.819 348 L CB 1.973 44.082 42.059 0.083 0.000 1.284 348 L HN 0.076 nan 8.230 nan 0.000 0.418 349 L N 3.269 124.638 121.223 0.243 0.000 3.746 349 L HA -0.176 4.164 4.340 -0.000 0.000 0.542 349 L C -1.511 175.468 176.870 0.182 0.000 1.268 349 L CA -0.480 54.500 54.840 0.232 0.000 0.818 349 L CB -0.853 41.366 42.059 0.267 0.000 1.472 349 L HN 0.588 nan 8.230 nan 0.000 0.843 350 P HA -0.101 nan 4.420 nan 0.000 0.225 350 P C 1.192 178.585 177.300 0.155 0.000 1.148 350 P CA 1.014 64.189 63.100 0.125 0.000 0.779 350 P CB 0.330 32.085 31.700 0.093 0.000 0.780 351 S N -0.577 115.234 115.700 0.185 0.000 2.593 351 S HA 0.067 4.537 4.470 -0.000 0.000 0.217 351 S C 0.832 175.585 174.600 0.256 0.000 0.966 351 S CA -0.417 57.938 58.200 0.258 0.000 0.914 351 S CB -0.682 62.670 63.200 0.253 0.000 0.776 351 S HN 0.076 nan 8.310 nan 0.000 0.523 352 L N 2.453 123.804 121.223 0.214 0.000 2.559 352 L HA 0.374 4.713 4.340 -0.000 0.000 0.274 352 L C 1.191 178.197 176.870 0.226 0.000 1.205 352 L CA 1.220 56.188 54.840 0.214 0.000 0.907 352 L CB -0.376 41.797 42.059 0.189 0.000 1.153 352 L HN 0.352 nan 8.230 nan 0.000 0.490 353 G N 2.360 111.303 108.800 0.239 0.000 2.184 353 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.264 353 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.264 353 G C 0.445 175.463 174.900 0.197 0.000 0.975 353 G CA 0.374 45.612 45.100 0.231 0.000 0.642 353 G HN 0.837 nan 8.290 nan 0.000 0.536 354 S N -1.625 114.196 115.700 0.200 0.000 2.704 354 S HA 0.650 5.120 4.470 -0.000 0.000 0.305 354 S C 0.420 175.141 174.600 0.202 0.000 1.107 354 S CA 0.098 58.348 58.200 0.083 0.000 0.993 354 S CB 0.887 64.055 63.200 -0.054 0.000 1.110 354 S HN 0.931 nan 8.310 nan 0.000 0.534 355 Y N -1.042 119.326 120.300 0.113 0.000 4.409 355 Y HA -0.213 4.337 4.550 -0.000 0.000 0.228 355 Y C 0.546 176.528 175.900 0.137 0.000 1.108 355 Y CA 0.243 58.408 58.100 0.109 0.000 1.955 355 Y CB -2.276 36.244 38.460 0.099 0.000 1.615 355 Y HN 0.611 nan 8.280 nan 0.000 0.665 356 I N 0.200 120.916 120.570 0.244 0.000 2.692 356 I HA 0.417 4.587 4.170 -0.000 0.000 0.284 356 I C 0.689 176.972 176.117 0.278 0.000 1.159 356 I CA 0.547 61.994 61.300 0.245 0.000 1.423 356 I CB 1.145 39.289 38.000 0.241 0.000 1.380 356 I HN 0.209 nan 8.210 nan 0.000 0.580 357 T N 1.926 116.608 114.554 0.213 0.000 2.893 357 T HA 0.704 5.054 4.350 -0.000 0.000 0.291 357 T C -0.676 174.066 174.700 0.070 0.000 1.028 357 T CA -0.705 61.512 62.100 0.195 0.000 0.995 357 T CB 2.118 71.053 68.868 0.111 0.000 1.051 357 T HN 0.834 nan 8.240 nan 0.000 0.470 358 E N 0.948 121.178 120.200 0.049 0.000 2.356 358 E HA 0.355 4.704 4.350 -0.000 0.000 0.275 358 E C -1.159 175.572 176.600 0.218 0.000 0.904 358 E CA -0.566 55.827 56.400 -0.012 0.000 0.757 358 E CB 2.057 31.557 29.700 -0.334 0.000 1.232 358 E HN 0.718 nan 8.360 nan 0.000 0.442 359 Q N 1.034 120.965 119.800 0.217 0.000 2.340 359 Q HA 0.456 4.796 4.340 -0.000 0.000 0.249 359 Q C -0.412 175.789 176.000 0.336 0.000 0.957 359 Q CA -0.373 55.606 55.803 0.294 0.000 0.882 359 Q CB 1.221 30.166 28.738 0.346 0.000 1.235 359 Q HN 0.443 nan 8.270 nan 0.000 0.439 360 S N 1.470 117.287 115.700 0.194 0.000 2.565 360 S HA 0.355 4.825 4.470 -0.000 0.000 0.276 360 S C -0.715 173.939 174.600 0.091 0.000 1.326 360 S CA -0.510 57.674 58.200 -0.026 0.000 1.045 360 S CB 0.419 63.489 63.200 -0.217 0.000 0.918 360 S HN 0.380 nan 8.310 nan 0.000 0.505 361 L N 4.497 125.749 121.223 0.048 0.000 2.409 361 L HA 0.698 5.038 4.340 -0.000 0.000 0.272 361 L C -0.787 175.951 176.870 -0.220 0.000 0.980 361 L CA -0.662 54.101 54.840 -0.128 0.000 0.826 361 L CB 1.573 43.533 42.059 -0.166 0.000 1.268 361 L HN 0.474 nan 8.230 nan 0.000 0.407 362 V N 2.037 121.731 119.914 -0.367 0.000 2.769 362 V HA 0.754 4.874 4.120 -0.000 0.000 0.312 362 V C -0.908 175.035 176.094 -0.252 0.000 1.058 362 V CA -0.667 61.329 62.300 -0.506 0.000 0.952 362 V CB 1.655 32.994 31.823 -0.808 0.000 1.019 362 V HN 0.810 nan 8.190 nan 0.000 0.445 363 F N 4.163 123.892 119.950 -0.368 0.000 2.619 363 F HA 0.872 5.398 4.527 -0.000 0.000 0.308 363 F C -0.401 175.261 175.800 -0.231 0.000 1.097 363 F CA -0.190 57.673 58.000 -0.229 0.000 0.953 363 F CB 1.590 40.499 39.000 -0.152 0.000 1.287 363 F HN 1.220 nan 8.300 nan 0.000 0.446 364 C N 2.524 121.131 119.300 -1.156 0.000 3.320 364 C HA 0.785 5.245 4.460 -0.000 0.000 0.335 364 C C -1.754 172.656 174.990 -0.966 0.000 1.430 364 C CA -0.713 57.646 59.018 -1.098 0.000 1.271 364 C CB 1.642 29.002 27.740 -0.634 0.000 1.609 364 C HN 0.978 nan 8.230 nan 0.000 0.457 365 Q N 0.536 120.029 119.800 -0.513 0.000 2.387 365 Q HA 0.779 5.119 4.340 -0.000 0.000 0.273 365 Q C -0.522 175.504 176.000 0.044 0.000 1.089 365 Q CA -0.254 55.471 55.803 -0.129 0.000 0.824 365 Q CB 2.690 31.335 28.738 -0.154 0.000 1.367 365 Q HN 0.942 nan 8.270 nan 0.000 0.443 366 T N -2.601 112.056 114.554 0.172 0.000 2.924 366 T HA 0.698 5.048 4.350 -0.000 0.000 0.291 366 T C -0.578 174.176 174.700 0.089 0.000 1.045 366 T CA -0.720 61.450 62.100 0.118 0.000 1.015 366 T CB 1.258 70.204 68.868 0.130 0.000 1.103 366 T HN 0.260 nan 8.240 nan 0.000 0.496 367 V N 2.749 122.682 119.914 0.032 0.000 2.384 367 V HA 0.406 4.526 4.120 -0.000 0.000 0.287 367 V C 0.317 176.417 176.094 0.009 0.000 1.020 367 V CA -0.915 61.395 62.300 0.017 0.000 0.850 367 V CB 1.170 32.994 31.823 0.001 0.000 0.987 367 V HN 1.027 nan 8.190 nan 0.000 0.436 368 M N 4.739 124.352 119.600 0.022 0.000 2.248 368 M HA 0.087 4.567 4.480 -0.000 0.000 0.343 368 M C 0.904 177.206 176.300 0.002 0.000 1.243 368 M CA 0.724 56.039 55.300 0.024 0.000 1.025 368 M CB 0.615 33.228 32.600 0.022 0.000 1.759 368 M HN 0.935 nan 8.290 nan 0.000 0.452 369 S N 2.507 118.206 115.700 -0.003 0.000 2.568 369 S HA 0.046 4.516 4.470 -0.000 0.000 0.282 369 S C 0.991 175.587 174.600 -0.005 0.000 1.338 369 S CA -0.058 58.132 58.200 -0.016 0.000 1.045 369 S CB 0.485 63.671 63.200 -0.024 0.000 0.873 369 S HN 0.807 nan 8.310 nan 0.000 0.516 370 T N 2.012 116.560 114.554 -0.010 0.000 2.720 370 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 370 T C 1.665 176.369 174.700 0.005 0.000 1.037 370 T CA 1.847 63.946 62.100 -0.002 0.000 1.144 370 T CB -0.477 68.386 68.868 -0.007 0.000 0.864 370 T HN 0.761 nan 8.240 nan 0.000 0.444 371 E N 0.660 120.859 120.200 -0.001 0.000 2.058 371 E HA -0.096 4.253 4.350 -0.000 0.000 0.194 371 E C 2.297 178.909 176.600 0.021 0.000 0.997 371 E CA 0.947 57.349 56.400 0.004 0.000 0.801 371 E CB -0.313 29.382 29.700 -0.008 0.000 0.746 371 E HN 0.431 nan 8.360 nan 0.000 0.450 372 L N 0.793 122.030 121.223 0.024 0.000 2.017 372 L HA -0.207 4.132 4.340 -0.000 0.000 0.208 372 L C 2.488 179.394 176.870 0.061 0.000 1.073 372 L CA 0.582 55.451 54.840 0.048 0.000 0.745 372 L CB -0.339 41.748 42.059 0.047 0.000 0.894 372 L HN 0.195 nan 8.230 nan 0.000 0.432 373 I N 0.055 120.648 120.570 0.039 0.000 2.151 373 I HA -0.324 3.845 4.170 -0.000 0.000 0.243 373 I C 2.189 178.335 176.117 0.049 0.000 1.080 373 I CA 1.643 62.963 61.300 0.034 0.000 1.339 373 I CB -1.198 36.812 38.000 0.017 0.000 1.039 373 I HN 0.305 nan 8.210 nan 0.000 0.409 374 D N 0.592 121.019 120.400 0.045 0.000 2.144 374 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 374 D C 2.378 178.723 176.300 0.074 0.000 0.984 374 D CA 1.632 55.662 54.000 0.050 0.000 0.834 374 D CB -0.117 40.703 40.800 0.034 0.000 0.955 374 D HN 0.392 nan 8.370 nan 0.000 0.465 375 S N 0.020 115.772 115.700 0.087 0.000 2.419 375 S HA -0.129 4.340 4.470 -0.000 0.000 0.233 375 S C 2.173 176.909 174.600 0.228 0.000 1.016 375 S CA 0.872 59.151 58.200 0.132 0.000 0.974 375 S CB -0.578 62.691 63.200 0.114 0.000 0.786 375 S HN 0.088 nan 8.310 nan 0.000 0.492 376 V N 2.977 123.007 119.914 0.194 0.000 2.392 376 V HA -0.175 3.945 4.120 -0.000 0.000 0.249 376 V C 2.210 178.434 176.094 0.217 0.000 1.059 376 V CA 2.181 64.627 62.300 0.243 0.000 1.051 376 V CB -0.867 31.025 31.823 0.115 0.000 0.658 376 V HN 0.841 nan 8.190 nan 0.000 0.455 377 K N 0.326 120.812 120.400 0.143 0.000 2.498 377 K HA 0.184 4.504 4.320 -0.000 0.000 0.207 377 K C 1.585 178.244 176.600 0.099 0.000 1.033 377 K CA 0.656 57.012 56.287 0.114 0.000 1.138 377 K CB 0.200 32.752 32.500 0.086 0.000 0.860 377 K HN 0.413 nan 8.250 nan 0.000 0.490 378 S N 0.881 116.653 115.700 0.121 0.000 2.400 378 S HA -0.180 4.290 4.470 -0.000 0.000 0.232 378 S C 1.027 175.646 174.600 0.032 0.000 1.025 378 S CA 1.346 59.583 58.200 0.062 0.000 0.993 378 S CB -0.288 62.930 63.200 0.029 0.000 0.808 378 S HN 0.325 nan 8.310 nan 0.000 0.478 379 D N 0.820 121.251 120.400 0.051 0.000 2.340 379 D HA 0.206 4.845 4.640 -0.000 0.000 0.220 379 D C 0.154 176.494 176.300 0.066 0.000 1.039 379 D CA 0.335 54.352 54.000 0.028 0.000 0.866 379 D CB -0.066 40.734 40.800 0.001 0.000 0.913 379 D HN 0.370 nan 8.370 nan 0.000 0.523 380 M N 0.497 120.137 119.600 0.066 0.000 2.216 380 M HA 0.212 4.691 4.480 -0.000 0.000 0.356 380 M C 0.265 176.590 176.300 0.043 0.000 1.205 380 M CA 0.012 55.356 55.300 0.074 0.000 1.122 380 M CB 1.102 33.739 32.600 0.061 0.000 1.571 380 M HN -0.326 nan 8.290 nan 0.000 0.464 381 T N 4.502 119.075 114.554 0.032 0.000 2.767 381 T HA 0.680 5.030 4.350 -0.000 0.000 0.284 381 T C 0.012 174.687 174.700 -0.042 0.000 0.973 381 T CA -0.325 61.774 62.100 -0.003 0.000 0.996 381 T CB 0.596 69.458 68.868 -0.009 0.000 0.927 381 T HN 0.435 nan 8.240 nan 0.000 0.456 382 I N 3.873 124.413 120.570 -0.049 0.000 2.410 382 I HA 0.455 4.625 4.170 -0.000 0.000 0.286 382 I C 0.233 176.302 176.117 -0.081 0.000 1.009 382 I CA -0.641 60.597 61.300 -0.103 0.000 1.111 382 I CB 1.318 39.297 38.000 -0.035 0.000 1.262 382 I HN 0.319 nan 8.210 nan 0.000 0.443 383 R N 3.973 124.387 120.500 -0.143 0.000 2.740 383 R HA 0.815 5.155 4.340 -0.000 0.000 0.282 383 R C 0.030 176.319 176.300 -0.019 0.000 0.969 383 R CA -0.711 55.352 56.100 -0.062 0.000 0.918 383 R CB 2.155 32.420 30.300 -0.058 0.000 1.175 383 R HN 0.835 nan 8.270 nan 0.000 0.464 384 G N 0.814 109.654 108.800 0.066 0.000 2.725 384 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.220 384 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.220 384 G C -0.784 174.269 174.900 0.256 0.000 1.357 384 G CA -0.496 44.687 45.100 0.139 0.000 0.866 384 G HN 0.618 nan 8.290 nan 0.000 0.548 385 T N 0.365 115.050 114.554 0.218 0.000 2.823 385 T HA 0.669 5.019 4.350 -0.000 0.000 0.279 385 T C -2.685 171.971 174.700 -0.072 0.000 0.998 385 T CA -1.367 60.804 62.100 0.117 0.000 0.994 385 T CB 2.190 71.079 68.868 0.033 0.000 0.960 385 T HN 0.521 nan 8.240 nan 0.000 0.448 386 P HA 0.212 nan 4.420 nan 0.000 0.265 386 P C 1.240 178.299 177.300 -0.403 0.000 1.187 386 P CA 1.195 63.721 63.100 -0.956 0.000 0.766 386 P CB 0.136 31.425 31.700 -0.683 0.000 0.820 387 G N 0.639 109.244 108.800 -0.325 0.000 2.205 387 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.261 387 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.261 387 G C 0.138 174.998 174.900 -0.067 0.000 0.980 387 G CA -0.135 44.880 45.100 -0.141 0.000 0.632 387 G HN 0.539 nan 8.290 nan 0.000 0.533 388 E N -0.433 119.740 120.200 -0.045 0.000 2.232 388 E HA 0.547 4.897 4.350 -0.000 0.000 0.265 388 E C 1.571 178.203 176.600 0.053 0.000 1.001 388 E CA -0.799 55.607 56.400 0.011 0.000 0.870 388 E CB 0.993 30.707 29.700 0.023 0.000 1.175 388 E HN 0.130 nan 8.360 nan 0.000 0.407 389 L N 0.618 121.866 121.223 0.042 0.000 2.265 389 L HA -0.173 4.166 4.340 -0.000 0.000 0.215 389 L C 2.378 179.285 176.870 0.062 0.000 1.117 389 L CA 1.541 56.408 54.840 0.045 0.000 0.782 389 L CB -0.774 41.301 42.059 0.027 0.000 0.914 389 L HN 0.625 nan 8.230 nan 0.000 0.441 390 T N -3.233 111.365 114.554 0.073 0.000 2.777 390 T HA -0.245 4.104 4.350 -0.000 0.000 0.266 390 T C 0.875 175.641 174.700 0.109 0.000 1.040 390 T CA 0.121 62.266 62.100 0.075 0.000 1.141 390 T CB -0.607 68.302 68.868 0.068 0.000 0.868 390 T HN 0.124 nan 8.240 nan 0.000 0.444 391 Y N 2.692 122.991 120.300 -0.002 0.000 2.895 391 Y HA 0.308 4.858 4.550 -0.000 0.000 0.334 391 Y C 0.340 176.240 175.900 -0.000 0.000 1.261 391 Y CA -0.032 58.068 58.100 -0.001 0.000 1.560 391 Y CB 0.056 38.514 38.460 -0.004 0.000 1.253 391 Y HN 0.283 nan 8.280 nan 0.000 0.582 392 S N 4.930 120.355 115.700 -0.459 0.000 2.619 392 S HA 0.701 5.170 4.470 -0.000 0.000 0.280 392 S C -1.884 172.428 174.600 -0.481 0.000 1.150 392 S CA -0.746 57.245 58.200 -0.348 0.000 0.978 392 S CB 0.729 63.832 63.200 -0.163 0.000 1.041 392 S HN 0.455 nan 8.310 nan 0.000 0.485 393 V N 4.661 124.375 119.914 -0.333 0.000 2.444 393 V HA 0.729 4.849 4.120 -0.000 0.000 0.294 393 V C 0.002 176.068 176.094 -0.047 0.000 1.022 393 V CA -0.516 61.666 62.300 -0.197 0.000 0.850 393 V CB 1.350 33.091 31.823 -0.136 0.000 0.992 393 V HN 1.006 nan 8.190 nan 0.000 0.426 394 T N 1.724 116.276 114.554 -0.003 0.000 2.896 394 T HA 0.869 5.219 4.350 -0.000 0.000 0.297 394 T C -1.015 173.767 174.700 0.137 0.000 1.108 394 T CA -0.781 61.340 62.100 0.035 0.000 1.004 394 T CB 2.292 71.136 68.868 -0.040 0.000 1.159 394 T HN 0.807 nan 8.240 nan 0.000 0.499 395 Y N -1.748 118.543 120.300 -0.015 0.000 2.615 395 Y HA 0.786 5.336 4.550 -0.000 0.000 0.341 395 Y C -0.959 174.934 175.900 -0.011 0.000 1.089 395 Y CA -1.295 56.799 58.100 -0.010 0.000 1.049 395 Y CB 0.997 39.459 38.460 0.004 0.000 1.296 395 Y HN 0.624 nan 8.280 nan 0.000 0.470 396 T N 4.234 118.794 114.554 0.010 0.000 2.801 396 T HA 0.388 4.738 4.350 -0.000 0.000 0.306 396 T C -2.832 171.875 174.700 0.012 0.000 1.020 396 T CA -1.385 60.668 62.100 -0.078 0.000 0.948 396 T CB 0.638 69.495 68.868 -0.018 0.000 0.962 396 T HN 0.359 nan 8.240 nan 0.000 0.465 397 P HA 0.179 nan 4.420 nan 0.000 0.261 397 P C 1.142 178.481 177.300 0.066 0.000 1.183 397 P CA 0.821 63.969 63.100 0.081 0.000 0.761 397 P CB 0.285 31.989 31.700 0.007 0.000 0.785 398 G N 2.390 111.242 108.800 0.086 0.000 2.189 398 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.267 398 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.267 398 G C 0.522 175.432 174.900 0.017 0.000 0.975 398 G CA 0.070 45.194 45.100 0.041 0.000 0.644 398 G HN 0.872 nan 8.290 nan 0.000 0.537 399 A N 0.516 123.348 122.820 0.019 0.000 2.587 399 A HA 0.529 4.849 4.320 -0.000 0.000 0.235 399 A C 1.833 179.406 177.584 -0.019 0.000 1.044 399 A CA 1.480 53.517 52.037 -0.001 0.000 0.754 399 A CB 0.176 19.178 19.000 0.003 0.000 0.968 399 A HN 1.832 nan 8.150 nan 0.000 0.509 400 S N 1.337 117.023 115.700 -0.024 0.000 2.428 400 S HA -0.135 4.335 4.470 -0.000 0.000 0.230 400 S C 1.395 175.963 174.600 -0.053 0.000 1.014 400 S CA 1.504 59.683 58.200 -0.035 0.000 0.957 400 S CB -0.794 62.389 63.200 -0.028 0.000 0.784 400 S HN 1.188 nan 8.310 nan 0.000 0.499 401 T N -0.543 113.981 114.554 -0.051 0.000 3.148 401 T HA 0.202 4.552 4.350 -0.000 0.000 0.253 401 T C 0.420 175.063 174.700 -0.096 0.000 1.134 401 T CA -0.399 61.661 62.100 -0.066 0.000 1.051 401 T CB -0.631 68.207 68.868 -0.051 0.000 0.959 401 T HN 0.211 nan 8.240 nan 0.000 0.525 402 N N 2.267 120.910 118.700 -0.095 0.000 2.454 402 N HA 0.155 4.895 4.740 -0.000 0.000 0.254 402 N C 0.995 176.349 175.510 -0.260 0.000 1.228 402 N CA -0.171 52.792 53.050 -0.146 0.000 0.900 402 N CB 0.833 39.259 38.487 -0.102 0.000 1.089 402 N HN 0.166 nan 8.380 nan 0.000 0.449 403 K N 1.067 121.204 120.400 -0.439 0.000 2.356 403 K HA 0.075 4.395 4.320 -0.000 0.000 0.195 403 K C -0.125 175.885 176.600 -0.984 0.000 1.037 403 K CA 0.598 56.467 56.287 -0.696 0.000 1.014 403 K CB 0.223 32.185 32.500 -0.895 0.000 0.815 403 K HN 0.555 nan 8.250 nan 0.000 0.507 404 H N 0.289 119.040 119.070 -0.532 0.000 2.747 404 H HA 0.325 4.881 4.556 -0.000 0.000 0.371 404 H C -2.424 172.584 175.328 -0.533 0.000 1.161 404 H CA -2.431 53.139 56.048 -0.797 0.000 1.167 404 H CB 1.673 30.572 29.762 -1.438 0.000 1.732 404 H HN -0.141 nan 8.280 nan 0.000 0.544 405 P HA 0.021 nan 4.420 nan 0.000 0.274 405 P C 0.259 177.349 177.300 -0.351 0.000 1.237 405 P CA -0.257 62.646 63.100 -0.328 0.000 0.793 405 P CB 1.386 32.871 31.700 -0.358 0.000 0.977 406 D N 0.642 120.978 120.400 -0.108 0.000 2.158 406 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 406 D C 1.905 178.213 176.300 0.014 0.000 0.995 406 D CA 1.402 55.417 54.000 0.024 0.000 0.846 406 D CB -0.518 40.401 40.800 0.199 0.000 0.941 406 D HN 0.619 nan 8.370 nan 0.000 0.456 407 W N 0.200 121.570 121.300 0.117 0.000 2.363 407 W HA -0.142 4.518 4.660 -0.000 0.000 0.296 407 W C 1.990 178.572 176.519 0.106 0.000 1.212 407 W CA 0.176 57.583 57.345 0.103 0.000 1.260 407 W CB -1.366 28.151 29.460 0.095 0.000 1.131 407 W HN 0.061 nan 8.180 nan 0.000 0.530 408 W N 3.542 124.318 121.300 -0.875 0.000 2.354 408 W HA -0.188 4.472 4.660 -0.000 0.000 0.315 408 W C 1.916 178.155 176.519 -0.466 0.000 1.206 408 W CA 1.864 58.714 57.345 -0.825 0.000 1.290 408 W CB -1.054 27.695 29.460 -1.185 0.000 1.152 408 W HN -0.102 nan 8.180 nan 0.000 0.489 409 N N 0.935 119.535 118.700 -0.167 0.000 2.166 409 N HA -0.202 4.537 4.740 -0.000 0.000 0.186 409 N C 1.516 176.672 175.510 -0.591 0.000 1.019 409 N CA 1.936 54.687 53.050 -0.499 0.000 0.856 409 N CB -0.704 37.142 38.487 -1.069 0.000 0.993 409 N HN 0.228 nan 8.380 nan 0.000 0.426 410 E N 1.592 121.583 120.200 -0.348 0.000 2.058 410 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 410 E C 1.599 178.234 176.600 0.058 0.000 0.997 410 E CA 1.441 57.863 56.400 0.036 0.000 0.801 410 E CB 0.020 29.836 29.700 0.193 0.000 0.746 410 E HN 0.294 nan 8.360 nan 0.000 0.450 411 K N -0.434 119.989 120.400 0.039 0.000 2.057 411 K HA -0.107 4.212 4.320 -0.000 0.000 0.207 411 K C 2.171 178.773 176.600 0.003 0.000 1.049 411 K CA 1.459 57.766 56.287 0.033 0.000 0.931 411 K CB -0.194 32.313 32.500 0.013 0.000 0.714 411 K HN 0.042 nan 8.250 nan 0.000 0.440 412 V N 2.085 121.964 119.914 -0.060 0.000 2.307 412 V HA -0.251 3.869 4.120 -0.000 0.000 0.245 412 V C 2.436 178.565 176.094 0.058 0.000 1.045 412 V CA 1.669 63.953 62.300 -0.026 0.000 1.024 412 V CB -0.433 31.366 31.823 -0.039 0.000 0.651 412 V HN 0.349 nan 8.190 nan 0.000 0.449 413 K N 0.325 120.753 120.400 0.047 0.000 2.032 413 K HA -0.242 4.078 4.320 -0.000 0.000 0.209 413 K C 2.015 178.675 176.600 0.101 0.000 1.048 413 K CA 2.019 58.367 56.287 0.102 0.000 0.927 413 K CB -0.253 32.370 32.500 0.204 0.000 0.712 413 K HN 0.426 nan 8.250 nan 0.000 0.441 414 N N 0.402 119.166 118.700 0.107 0.000 2.120 414 N HA -0.186 4.554 4.740 -0.000 0.000 0.188 414 N C 1.777 177.345 175.510 0.096 0.000 1.024 414 N CA 1.399 54.506 53.050 0.094 0.000 0.852 414 N CB -0.652 37.897 38.487 0.103 0.000 1.003 414 N HN 0.441 nan 8.380 nan 0.000 0.424 415 H N 0.600 119.699 119.070 0.048 0.000 2.319 415 H HA 0.078 4.634 4.556 -0.000 0.000 0.299 415 H C 2.060 177.432 175.328 0.073 0.000 1.092 415 H CA 1.814 57.897 56.048 0.059 0.000 1.302 415 H CB -0.089 29.623 29.762 -0.084 0.000 1.373 415 H HN 0.101 nan 8.280 nan 0.000 0.497 416 M N -0.918 118.671 119.600 -0.017 0.000 2.254 416 M HA -0.115 4.365 4.480 -0.000 0.000 0.265 416 M C 1.948 178.294 176.300 0.078 0.000 1.066 416 M CA 0.956 56.254 55.300 -0.004 0.000 1.123 416 M CB 0.094 32.769 32.600 0.125 0.000 1.388 416 M HN 0.359 nan 8.290 nan 0.000 0.425 417 M N -0.334 119.304 119.600 0.063 0.000 2.236 417 M HA -0.125 4.355 4.480 -0.000 0.000 0.266 417 M C 1.779 178.068 176.300 -0.019 0.000 1.070 417 M CA 1.733 57.082 55.300 0.081 0.000 1.137 417 M CB -0.662 31.963 32.600 0.042 0.000 1.378 417 M HN 0.315 nan 8.290 nan 0.000 0.426 418 Q N -1.181 118.533 119.800 -0.144 0.000 2.398 418 Q HA -0.031 4.308 4.340 -0.000 0.000 0.204 418 Q C -0.059 175.564 176.000 -0.628 0.000 0.932 418 Q CA 0.622 56.212 55.803 -0.355 0.000 0.916 418 Q CB 0.473 28.965 28.738 -0.411 0.000 1.024 418 Q HN 0.489 nan 8.270 nan 0.000 0.504 419 H N 0.071 119.065 119.070 -0.127 0.000 2.379 419 H HA 0.194 4.750 4.556 -0.000 0.000 0.229 419 H C 0.021 175.256 175.328 -0.155 0.000 1.423 419 H CA -0.079 55.892 56.048 -0.129 0.000 1.375 419 H CB 0.545 30.180 29.762 -0.213 0.000 1.592 419 H HN 0.246 nan 8.280 nan 0.000 0.507 420 Q N 0.607 120.376 119.800 -0.052 0.000 2.369 420 Q HA -0.100 4.239 4.340 -0.000 0.000 0.206 420 Q C 1.880 177.811 176.000 -0.114 0.000 0.963 420 Q CA 0.723 56.444 55.803 -0.137 0.000 0.894 420 Q CB 0.450 29.051 28.738 -0.229 0.000 0.965 420 Q HN 0.514 nan 8.270 nan 0.000 0.475 421 E N 1.305 121.491 120.200 -0.024 0.000 2.347 421 E HA -0.135 4.215 4.350 -0.000 0.000 0.196 421 E C -0.303 176.321 176.600 0.040 0.000 1.008 421 E CA 0.653 57.057 56.400 0.006 0.000 0.852 421 E CB -0.029 29.698 29.700 0.045 0.000 0.783 421 E HN 0.168 nan 8.360 nan 0.000 0.505 422 D N 1.923 122.360 120.400 0.062 0.000 2.249 422 D HA 0.123 4.763 4.640 -0.000 0.000 0.246 422 D C -1.594 174.747 176.300 0.070 0.000 1.114 422 D CA -2.135 51.930 54.000 0.109 0.000 0.854 422 D CB 1.577 42.471 40.800 0.156 0.000 1.132 422 D HN -0.150 nan 8.370 nan 0.000 0.461 423 P HA 0.104 nan 4.420 nan 0.000 0.249 423 P C -0.248 177.089 177.300 0.063 0.000 1.229 423 P CA 0.169 63.301 63.100 0.054 0.000 0.788 423 P CB 0.411 32.136 31.700 0.041 0.000 1.072 424 L N 1.553 122.828 121.223 0.086 0.000 2.330 424 L HA 0.388 4.728 4.340 -0.000 0.000 0.271 424 L C -1.459 175.454 176.870 0.071 0.000 1.013 424 L CA -2.310 52.558 54.840 0.046 0.000 0.816 424 L CB 2.637 44.692 42.059 -0.007 0.000 1.287 424 L HN -0.316 nan 8.230 nan 0.000 0.435 425 P HA 0.107 nan 4.420 nan 0.000 0.255 425 P C 0.216 177.403 177.300 -0.188 0.000 1.248 425 P CA 0.507 63.619 63.100 0.021 0.000 0.807 425 P CB 0.525 32.236 31.700 0.019 0.000 1.150 426 I N 2.225 122.578 120.570 -0.362 0.000 2.371 426 I HA 0.225 4.395 4.170 -0.000 0.000 0.290 426 I C -2.174 173.443 176.117 -0.832 0.000 1.028 426 I CA -2.752 58.272 61.300 -0.460 0.000 1.345 426 I CB 0.943 38.760 38.000 -0.307 0.000 1.407 426 I HN -0.237 nan 8.210 nan 0.000 0.501 427 P HA 0.044 nan 4.420 nan 0.000 0.269 427 P C 0.244 177.299 177.300 -0.409 0.000 1.215 427 P CA -0.069 62.646 63.100 -0.640 0.000 0.780 427 P CB 0.397 31.970 31.700 -0.213 0.000 0.898 428 F N 0.475 120.308 119.950 -0.194 0.000 2.171 428 F HA -0.106 4.421 4.527 -0.000 0.000 0.300 428 F C 1.746 177.502 175.800 -0.072 0.000 1.090 428 F CA 1.542 59.469 58.000 -0.122 0.000 1.293 428 F CB -0.823 38.122 39.000 -0.090 0.000 1.013 428 F HN 0.388 nan 8.300 nan 0.000 0.486 429 E N -0.096 120.185 120.200 0.136 0.000 2.403 429 E HA -0.016 4.334 4.350 -0.000 0.000 0.188 429 E C -0.270 176.351 176.600 0.034 0.000 1.056 429 E CA -0.178 56.272 56.400 0.083 0.000 0.892 429 E CB -0.289 29.462 29.700 0.084 0.000 1.049 429 E HN 0.229 nan 8.360 nan 0.000 0.465 430 D N 2.235 122.633 120.400 -0.002 0.000 2.390 430 D HA 0.057 4.697 4.640 -0.000 0.000 0.249 430 D C -2.355 173.960 176.300 0.025 0.000 1.144 430 D CA -1.796 52.190 54.000 -0.025 0.000 0.880 430 D CB 0.894 41.639 40.800 -0.093 0.000 1.182 430 D HN -0.149 nan 8.370 nan 0.000 0.451 431 P HA 0.080 nan 4.420 nan 0.000 0.272 431 P C -0.426 176.988 177.300 0.190 0.000 1.230 431 P CA -0.385 62.811 63.100 0.160 0.000 0.788 431 P CB 0.377 32.180 31.700 0.171 0.000 0.949 432 E N 2.263 122.587 120.200 0.208 0.000 2.408 432 E HA 0.165 4.514 4.350 -0.000 0.000 0.259 432 E C -2.475 174.161 176.600 0.060 0.000 1.110 432 E CA -1.825 54.631 56.400 0.093 0.000 0.929 432 E CB -0.929 28.787 29.700 0.026 0.000 0.971 432 E HN 0.220 nan 8.360 nan 0.000 0.438 433 P HA 0.084 nan 4.420 nan 0.000 0.272 433 P C -0.550 176.756 177.300 0.010 0.000 1.230 433 P CA -0.023 63.150 63.100 0.123 0.000 0.788 433 P CB 0.408 32.129 31.700 0.035 0.000 0.949 434 Q N 0.674 120.582 119.800 0.180 0.000 3.662 434 Q HA 0.322 4.662 4.340 -0.000 0.000 0.237 434 Q C -1.279 174.812 176.000 0.153 0.000 0.895 434 Q CA -0.229 55.552 55.803 -0.036 0.000 0.767 434 Q CB 1.223 29.685 28.738 -0.459 0.000 1.469 434 Q HN 0.169 nan 8.270 nan 0.000 0.424 435 V N 0.624 120.583 119.914 0.076 0.000 2.628 435 V HA 0.760 4.880 4.120 -0.000 0.000 0.306 435 V C 0.008 176.122 176.094 0.034 0.000 1.045 435 V CA -0.441 61.909 62.300 0.083 0.000 0.905 435 V CB 2.177 33.998 31.823 -0.003 0.000 0.997 435 V HN 0.480 nan 8.190 nan 0.000 0.436 436 T N 1.686 116.290 114.554 0.083 0.000 2.900 436 T HA 0.497 4.846 4.350 -0.000 0.000 0.303 436 T C -1.000 173.640 174.700 -0.099 0.000 1.142 436 T CA -0.313 61.775 62.100 -0.020 0.000 1.007 436 T CB 1.883 70.729 68.868 -0.036 0.000 1.156 436 T HN 0.813 nan 8.240 nan 0.000 0.490 437 T N 4.613 118.955 114.554 -0.354 0.000 2.809 437 T HA 0.593 4.942 4.350 -0.000 0.000 0.296 437 T C -0.094 174.452 174.700 -0.257 0.000 1.015 437 T CA -0.603 61.126 62.100 -0.620 0.000 0.954 437 T CB -0.188 67.858 68.868 -1.369 0.000 0.950 437 T HN 0.523 nan 8.240 nan 0.000 0.450 438 L N 4.459 125.618 121.223 -0.106 0.000 2.467 438 L HA 0.375 4.715 4.340 -0.000 0.000 0.270 438 L C 0.777 177.668 176.870 0.035 0.000 1.205 438 L CA -0.896 53.972 54.840 0.046 0.000 0.828 438 L CB 0.178 42.261 42.059 0.039 0.000 1.101 438 L HN 0.624 nan 8.230 nan 0.000 0.479 439 F N 2.967 122.855 119.950 -0.103 0.000 2.568 439 F HA -0.122 4.405 4.527 -0.000 0.000 0.394 439 F C 0.310 175.855 175.800 -0.424 0.000 1.032 439 F CA 0.716 58.557 58.000 -0.266 0.000 1.242 439 F CB 0.072 38.967 39.000 -0.175 0.000 0.966 439 F HN 0.402 nan 8.300 nan 0.000 0.560 440 Q N 6.488 125.818 119.800 -0.783 0.000 2.501 440 Q HA 0.270 4.610 4.340 -0.000 0.000 0.288 440 Q C -2.000 173.574 176.000 -0.710 0.000 1.051 440 Q CA -1.728 53.696 55.803 -0.630 0.000 0.788 440 Q CB 1.364 29.585 28.738 -0.862 0.000 1.469 440 Q HN 0.216 nan 8.270 nan 0.000 0.416 441 P HA -0.176 nan 4.420 nan 0.000 0.216 441 P C 1.096 178.179 177.300 -0.362 0.000 1.150 441 P CA 1.966 64.899 63.100 -0.278 0.000 0.843 441 P CB 0.246 31.870 31.700 -0.127 0.000 0.787 442 S N -1.741 113.746 115.700 -0.355 0.000 2.562 442 S HA -0.083 4.387 4.470 -0.000 0.000 0.221 442 S C 0.433 174.838 174.600 -0.325 0.000 0.975 442 S CA 0.115 58.178 58.200 -0.229 0.000 0.918 442 S CB -1.246 61.926 63.200 -0.047 0.000 0.772 442 S HN 0.429 nan 8.310 nan 0.000 0.531 443 H N -1.368 117.254 119.070 -0.747 0.000 2.596 443 H HA 0.440 4.995 4.556 -0.000 0.000 0.240 443 H C -3.240 170.926 175.328 -1.938 0.000 1.406 443 H CA -1.676 53.554 56.048 -1.363 0.000 1.504 443 H CB 0.380 29.632 29.762 -0.851 0.000 1.688 443 H HN 0.057 nan 8.280 nan 0.000 0.546 444 P HA 0.081 nan 4.420 nan 0.000 0.220 444 P C -1.249 175.341 177.300 -1.183 0.000 1.806 444 P CA 0.189 62.125 63.100 -1.940 0.000 0.976 444 P CB -1.003 30.145 31.700 -0.921 0.000 1.952 445 W N -0.298 120.603 121.300 -0.664 0.000 3.213 445 W HA 0.516 5.176 4.660 -0.000 0.000 0.318 445 W C -0.939 175.639 176.519 0.099 0.000 1.248 445 W CA -1.286 56.031 57.345 -0.047 0.000 1.187 445 W CB 0.041 29.518 29.460 0.028 0.000 1.403 445 W HN -0.011 nan 8.180 nan 0.000 0.556 446 H N 1.115 120.442 119.070 0.430 0.000 2.511 446 H HA 0.680 5.236 4.556 -0.000 0.000 0.346 446 H C -0.162 175.321 175.328 0.258 0.000 1.128 446 H CA 0.470 56.682 56.048 0.274 0.000 1.342 446 H CB 1.437 31.321 29.762 0.204 0.000 1.470 446 H HN 0.574 nan 8.280 nan 0.000 0.546 447 T N 2.159 116.337 114.554 -0.628 0.000 2.893 447 T HA 0.506 4.856 4.350 -0.000 0.000 0.293 447 T C -0.776 173.624 174.700 -0.500 0.000 1.027 447 T CA -1.112 60.666 62.100 -0.536 0.000 0.988 447 T CB 1.611 70.068 68.868 -0.685 0.000 1.043 447 T HN 0.669 nan 8.240 nan 0.000 0.461 448 Q N 1.915 121.619 119.800 -0.160 0.000 2.304 448 Q HA 0.581 4.920 4.340 -0.000 0.000 0.270 448 Q C -1.189 174.682 176.000 -0.215 0.000 1.035 448 Q CA -0.645 54.977 55.803 -0.303 0.000 0.781 448 Q CB 2.637 31.060 28.738 -0.525 0.000 1.261 448 Q HN 0.716 nan 8.270 nan 0.000 0.444 449 I N 3.729 124.149 120.570 -0.250 0.000 2.495 449 I HA 0.363 4.533 4.170 -0.000 0.000 0.277 449 I C -0.400 175.617 176.117 -0.167 0.000 1.045 449 I CA -0.262 60.792 61.300 -0.409 0.000 1.135 449 I CB 0.443 38.081 38.000 -0.603 0.000 1.241 449 I HN 0.773 nan 8.210 nan 0.000 0.469 450 H N 3.827 122.721 119.070 -0.293 0.000 3.150 450 H HA 0.655 5.211 4.556 -0.000 0.000 0.270 450 H C -1.166 174.087 175.328 -0.125 0.000 1.573 450 H CA -1.336 54.606 56.048 -0.177 0.000 1.195 450 H CB 1.397 31.079 29.762 -0.133 0.000 1.874 450 H HN 0.103 nan 8.280 nan 0.000 0.691 451 R N 1.404 121.718 120.500 -0.311 0.000 2.532 451 R HA 0.270 4.610 4.340 -0.000 0.000 0.297 451 R C -1.528 174.514 176.300 -0.431 0.000 0.984 451 R CA -0.586 55.313 56.100 -0.334 0.000 0.884 451 R CB 1.703 31.940 30.300 -0.105 0.000 1.182 451 R HN 0.893 nan 8.270 nan 0.000 0.442 452 D N 0.650 120.794 120.400 -0.426 0.000 2.654 452 D HA 0.475 5.115 4.640 -0.000 0.000 0.255 452 D C -0.432 175.844 176.300 -0.040 0.000 1.101 452 D CA -0.856 53.011 54.000 -0.223 0.000 1.116 452 D CB 0.439 41.128 40.800 -0.186 0.000 1.348 452 D HN 0.375 nan 8.370 nan 0.000 0.609 453 A N -0.404 122.425 122.820 0.014 0.000 2.567 453 A HA 0.377 4.697 4.320 -0.000 0.000 0.240 453 A C -0.798 176.855 177.584 0.116 0.000 1.053 453 A CA 0.218 52.310 52.037 0.092 0.000 0.755 453 A CB -0.852 18.235 19.000 0.144 0.000 0.978 453 A HN 0.469 nan 8.150 nan 0.000 0.507 454 F N 1.846 121.736 119.950 -0.101 0.000 2.608 454 F HA 0.454 4.981 4.527 -0.000 0.000 0.309 454 F C 0.376 176.004 175.800 -0.286 0.000 1.103 454 F CA -0.323 57.508 58.000 -0.282 0.000 0.954 454 F CB 2.038 40.726 39.000 -0.520 0.000 1.267 454 F HN 0.513 nan 8.300 nan 0.000 0.444 455 S N 4.078 119.196 115.700 -0.970 0.000 3.483 455 S HA 0.310 4.780 4.470 -0.000 0.000 0.274 455 S C -0.919 173.331 174.600 -0.582 0.000 1.289 455 S CA -0.424 57.408 58.200 -0.614 0.000 0.938 455 S CB -1.018 61.846 63.200 -0.560 0.000 1.453 455 S HN 0.446 nan 8.310 nan 0.000 0.494 456 Y N 2.182 122.496 120.300 0.024 0.000 2.442 456 Y HA 0.405 4.954 4.550 -0.000 0.000 0.330 456 Y C 1.593 177.544 175.900 0.085 0.000 1.129 456 Y CA 0.321 58.552 58.100 0.217 0.000 1.365 456 Y CB 0.144 38.763 38.460 0.265 0.000 1.233 456 Y HN 0.728 nan 8.280 nan 0.000 0.529 457 G N 1.289 110.236 108.800 0.245 0.000 2.664 457 G HA2 0.245 4.205 3.960 -0.000 0.000 0.242 457 G HA3 0.245 4.205 3.960 -0.000 0.000 0.242 457 G C 0.891 175.881 174.900 0.150 0.000 1.225 457 G CA -0.079 45.110 45.100 0.148 0.000 0.849 457 G HN 0.909 nan 8.290 nan 0.000 0.581 458 A N 0.199 123.075 122.820 0.093 0.000 1.972 458 A HA 0.019 4.339 4.320 -0.000 0.000 0.219 458 A C 2.374 180.000 177.584 0.070 0.000 1.169 458 A CA 1.900 53.981 52.037 0.074 0.000 0.635 458 A CB -0.258 18.771 19.000 0.049 0.000 0.810 458 A HN 0.542 nan 8.150 nan 0.000 0.446 459 V N -0.583 119.377 119.914 0.075 0.000 2.599 459 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 459 V C 2.432 178.570 176.094 0.072 0.000 1.046 459 V CA 1.533 63.870 62.300 0.062 0.000 1.065 459 V CB -0.789 31.068 31.823 0.056 0.000 0.703 459 V HN 0.587 nan 8.190 nan 0.000 0.464 460 Q N -0.124 119.747 119.800 0.118 0.000 2.096 460 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 460 Q C 2.228 178.254 176.000 0.044 0.000 0.982 460 Q CA 1.391 57.276 55.803 0.136 0.000 0.850 460 Q CB -0.232 28.697 28.738 0.319 0.000 0.901 460 Q HN 0.598 nan 8.270 nan 0.000 0.422 461 Q N -0.105 119.734 119.800 0.065 0.000 2.515 461 Q HA -0.110 4.229 4.340 -0.000 0.000 0.215 461 Q C 1.893 177.884 176.000 -0.014 0.000 0.983 461 Q CA 0.610 56.416 55.803 0.004 0.000 0.905 461 Q CB -0.037 28.733 28.738 0.053 0.000 0.961 461 Q HN 0.210 nan 8.270 nan 0.000 0.503 462 S N -0.247 115.455 115.700 0.003 0.000 2.428 462 S HA -0.020 4.450 4.470 -0.000 0.000 0.230 462 S C 0.882 175.472 174.600 -0.016 0.000 1.014 462 S CA 0.140 58.341 58.200 0.001 0.000 0.957 462 S CB 0.251 63.460 63.200 0.015 0.000 0.784 462 S HN 0.144 nan 8.310 nan 0.000 0.499 463 I N 2.873 123.420 120.570 -0.039 0.000 2.365 463 I HA 0.237 4.407 4.170 -0.000 0.000 0.291 463 I C 0.359 176.427 176.117 -0.081 0.000 1.004 463 I CA -0.819 60.450 61.300 -0.050 0.000 1.311 463 I CB 0.716 38.686 38.000 -0.050 0.000 1.401 463 I HN 0.171 nan 8.210 nan 0.000 0.491 464 D N 4.327 124.700 120.400 -0.046 0.000 2.487 464 D HA -0.069 4.571 4.640 -0.000 0.000 0.243 464 D C 1.277 177.535 176.300 -0.069 0.000 1.154 464 D CA 0.200 54.177 54.000 -0.038 0.000 0.876 464 D CB 1.144 41.946 40.800 0.002 0.000 1.161 464 D HN 0.669 nan 8.370 nan 0.000 0.478 465 S N 4.380 120.028 115.700 -0.086 0.000 2.419 465 S HA -0.212 4.258 4.470 -0.000 0.000 0.235 465 S C 1.659 176.229 174.600 -0.050 0.000 1.019 465 S CA 0.710 58.846 58.200 -0.108 0.000 0.982 465 S CB -0.077 63.075 63.200 -0.080 0.000 0.789 465 S HN 0.567 nan 8.310 nan 0.000 0.490 466 R N 0.643 121.128 120.500 -0.025 0.000 2.241 466 R HA 0.183 4.522 4.340 -0.000 0.000 0.224 466 R C 1.831 178.114 176.300 -0.029 0.000 1.101 466 R CA 1.091 57.175 56.100 -0.027 0.000 0.995 466 R CB -0.493 29.782 30.300 -0.043 0.000 0.870 466 R HN 0.456 nan 8.270 nan 0.000 0.463 467 L N 0.266 121.472 121.223 -0.028 0.000 2.446 467 L HA 0.126 4.466 4.340 -0.000 0.000 0.219 467 L C 0.639 177.509 176.870 -0.000 0.000 1.116 467 L CA 0.147 54.978 54.840 -0.015 0.000 0.844 467 L CB 0.152 42.201 42.059 -0.016 0.000 0.970 467 L HN 0.059 nan 8.230 nan 0.000 0.457 468 I N 0.110 120.672 120.570 -0.013 0.000 2.365 468 I HA 0.222 4.392 4.170 -0.000 0.000 0.291 468 I C -0.579 175.552 176.117 0.024 0.000 1.004 468 I CA -0.320 60.985 61.300 0.008 0.000 1.311 468 I CB 1.661 39.644 38.000 -0.028 0.000 1.401 468 I HN -0.299 nan 8.210 nan 0.000 0.491 469 V N 4.867 124.816 119.914 0.059 0.000 2.709 469 V HA 0.323 4.443 4.120 -0.000 0.000 0.308 469 V C -0.855 175.233 176.094 -0.009 0.000 1.062 469 V CA -0.878 61.418 62.300 -0.006 0.000 0.901 469 V CB 2.124 33.936 31.823 -0.018 0.000 1.003 469 V HN 0.576 nan 8.190 nan 0.000 0.425 470 D N 2.551 122.878 120.400 -0.123 0.000 2.210 470 D HA 0.458 5.098 4.640 -0.000 0.000 0.249 470 D C -1.000 175.209 176.300 -0.153 0.000 1.062 470 D CA 0.130 54.092 54.000 -0.063 0.000 0.891 470 D CB 1.278 42.061 40.800 -0.028 0.000 1.186 470 D HN 0.450 nan 8.370 nan 0.000 0.432 471 W N 1.465 122.732 121.300 -0.056 0.000 2.538 471 W HA 0.441 5.101 4.660 -0.000 0.000 0.322 471 W C 0.202 176.739 176.519 0.029 0.000 1.028 471 W CA -0.852 56.496 57.345 0.005 0.000 1.228 471 W CB 1.282 30.625 29.460 -0.195 0.000 1.356 471 W HN -0.075 nan 8.180 nan 0.000 0.452 472 R N 2.974 123.691 120.500 0.362 0.000 2.483 472 R HA 0.520 4.860 4.340 -0.000 0.000 0.303 472 R C -1.532 174.951 176.300 0.304 0.000 0.987 472 R CA -0.859 55.345 56.100 0.173 0.000 0.881 472 R CB 1.643 32.003 30.300 0.100 0.000 1.177 472 R HN 0.173 nan 8.270 nan 0.000 0.451 473 F N 2.987 122.790 119.950 -0.245 0.000 2.495 473 F HA 0.517 5.044 4.527 -0.000 0.000 0.327 473 F C -0.362 175.330 175.800 -0.179 0.000 1.103 473 F CA -1.499 56.451 58.000 -0.083 0.000 0.949 473 F CB 1.157 40.068 39.000 -0.149 0.000 1.142 473 F HN 0.298 nan 8.300 nan 0.000 0.457 474 F N 1.151 121.294 119.950 0.322 0.000 2.477 474 F HA 0.662 5.188 4.527 -0.000 0.000 0.335 474 F C 0.605 176.612 175.800 0.346 0.000 1.130 474 F CA -1.110 57.075 58.000 0.308 0.000 0.948 474 F CB 1.593 40.820 39.000 0.379 0.000 1.154 474 F HN 0.521 nan 8.300 nan 0.000 0.439 475 G N 1.993 111.047 108.800 0.423 0.000 2.462 475 G HA2 0.635 4.595 3.960 -0.000 0.000 0.319 475 G HA3 0.635 4.595 3.960 -0.000 0.000 0.319 475 G C -0.907 174.185 174.900 0.320 0.000 1.171 475 G CA -1.067 44.258 45.100 0.375 0.000 0.920 475 G HN 0.708 nan 8.290 nan 0.000 0.499 476 R N -0.680 120.005 120.500 0.307 0.000 2.428 476 R HA 0.630 4.970 4.340 -0.000 0.000 0.294 476 R C -1.017 175.380 176.300 0.160 0.000 1.000 476 R CA -0.547 55.657 56.100 0.174 0.000 0.960 476 R CB 1.250 31.666 30.300 0.194 0.000 1.076 476 R HN 0.257 nan 8.270 nan 0.000 0.475 477 T N 2.233 116.850 114.554 0.106 0.000 2.770 477 T HA 0.111 4.461 4.350 -0.000 0.000 0.283 477 T C -0.637 174.142 174.700 0.132 0.000 0.988 477 T CA -0.623 61.587 62.100 0.184 0.000 0.957 477 T CB 1.284 70.340 68.868 0.313 0.000 0.930 477 T HN 0.668 nan 8.240 nan 0.000 0.443 478 E N 4.732 125.013 120.200 0.136 0.000 2.414 478 E HA 0.096 4.445 4.350 -0.000 0.000 0.263 478 E C -2.142 174.537 176.600 0.132 0.000 1.000 478 E CA -1.578 54.892 56.400 0.117 0.000 0.914 478 E CB 0.522 30.283 29.700 0.101 0.000 0.948 478 E HN 0.201 nan 8.360 nan 0.000 0.444 479 P HA 0.123 nan 4.420 nan 0.000 0.276 479 P C -1.258 176.198 177.300 0.259 0.000 1.243 479 P CA 0.035 63.274 63.100 0.231 0.000 0.768 479 P CB 0.690 32.546 31.700 0.260 0.000 0.856 480 K N 2.622 123.118 120.400 0.160 0.000 2.378 480 K HA 0.176 4.496 4.320 -0.000 0.000 0.252 480 K C 0.945 177.380 176.600 -0.275 0.000 0.931 480 K CA -0.691 55.607 56.287 0.019 0.000 0.794 480 K CB 2.415 34.888 32.500 -0.045 0.000 1.181 480 K HN 0.461 nan 8.250 nan 0.000 0.425 481 E N 2.164 122.053 120.200 -0.519 0.000 2.160 481 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 481 E C 1.015 177.358 176.600 -0.428 0.000 0.991 481 E CA 1.427 57.257 56.400 -0.950 0.000 0.810 481 E CB 0.480 29.854 29.700 -0.543 0.000 0.742 481 E HN 0.543 nan 8.360 nan 0.000 0.466 482 E N 0.406 120.463 120.200 -0.238 0.000 2.347 482 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 482 E C 0.014 176.554 176.600 -0.099 0.000 1.008 482 E CA 0.325 56.641 56.400 -0.140 0.000 0.852 482 E CB -0.297 29.337 29.700 -0.109 0.000 0.783 482 E HN 0.066 nan 8.360 nan 0.000 0.505 483 N N 2.036 120.667 118.700 -0.114 0.000 2.401 483 N HA 0.169 4.909 4.740 -0.000 0.000 0.255 483 N C -0.762 174.806 175.510 0.095 0.000 1.110 483 N CA 0.157 53.194 53.050 -0.021 0.000 0.949 483 N CB 1.015 39.459 38.487 -0.072 0.000 1.110 483 N HN 0.120 nan 8.380 nan 0.000 0.490 484 K N 1.207 121.716 120.400 0.182 0.000 2.426 484 K HA 0.454 4.774 4.320 -0.000 0.000 0.251 484 K C -1.108 175.649 176.600 0.261 0.000 0.941 484 K CA -0.931 55.482 56.287 0.210 0.000 0.808 484 K CB 2.428 35.054 32.500 0.211 0.000 1.265 484 K HN 0.174 nan 8.250 nan 0.000 0.432 485 L N 3.936 125.263 121.223 0.173 0.000 2.305 485 L HA 0.579 4.919 4.340 -0.000 0.000 0.284 485 L C -1.324 175.499 176.870 -0.078 0.000 1.013 485 L CA -0.039 54.750 54.840 -0.084 0.000 0.819 485 L CB 0.526 42.529 42.059 -0.093 0.000 1.227 485 L HN 0.700 nan 8.230 nan 0.000 0.417 486 W N 3.661 124.671 121.300 -0.483 0.000 3.032 486 W HA 0.626 5.286 4.660 -0.000 0.000 0.341 486 W C -2.249 173.832 176.519 -0.731 0.000 1.202 486 W CA -1.219 55.901 57.345 -0.374 0.000 1.132 486 W CB 0.905 30.292 29.460 -0.122 0.000 1.465 486 W HN 0.342 nan 8.180 nan 0.000 0.576 487 F N 1.536 121.674 119.950 0.313 0.000 2.529 487 F HA 0.351 4.878 4.527 -0.000 0.000 0.320 487 F C 0.786 176.742 175.800 0.260 0.000 1.118 487 F CA -0.936 57.130 58.000 0.111 0.000 0.915 487 F CB 2.131 41.179 39.000 0.079 0.000 1.161 487 F HN 0.261 nan 8.300 nan 0.000 0.445 488 S N 1.092 116.927 115.700 0.225 0.000 2.562 488 S HA 0.037 4.507 4.470 -0.000 0.000 0.281 488 S C 0.818 175.564 174.600 0.243 0.000 1.333 488 S CA -0.518 57.844 58.200 0.270 0.000 1.052 488 S CB 0.354 63.621 63.200 0.112 0.000 0.884 488 S HN 0.697 nan 8.310 nan 0.000 0.506 489 D N 2.947 123.480 120.400 0.221 0.000 2.349 489 D HA 0.070 4.710 4.640 -0.000 0.000 0.224 489 D C 1.007 177.370 176.300 0.105 0.000 1.029 489 D CA 0.613 54.698 54.000 0.142 0.000 0.879 489 D CB 0.154 41.020 40.800 0.110 0.000 0.906 489 D HN 0.517 nan 8.370 nan 0.000 0.528 490 K N -0.457 120.007 120.400 0.107 0.000 2.485 490 K HA 0.135 4.455 4.320 -0.000 0.000 0.200 490 K C 0.046 176.689 176.600 0.071 0.000 1.352 490 K CA -0.239 56.096 56.287 0.080 0.000 0.953 490 K CB 0.908 33.455 32.500 0.078 0.000 1.387 490 K HN -0.050 nan 8.250 nan 0.000 0.512 491 I N 3.318 123.932 120.570 0.073 0.000 2.519 491 I HA 0.110 4.279 4.170 -0.000 0.000 0.287 491 I C 0.556 176.709 176.117 0.060 0.000 1.047 491 I CA 0.074 61.406 61.300 0.054 0.000 1.381 491 I CB 1.028 39.047 38.000 0.032 0.000 1.417 491 I HN 0.234 nan 8.210 nan 0.000 0.540 492 T N 1.165 115.751 114.554 0.054 0.000 2.924 492 T HA 0.593 4.942 4.350 -0.000 0.000 0.291 492 T C -0.388 174.349 174.700 0.062 0.000 1.045 492 T CA -0.898 61.241 62.100 0.065 0.000 1.015 492 T CB 2.446 71.350 68.868 0.060 0.000 1.103 492 T HN 0.552 nan 8.240 nan 0.000 0.496 493 D N 0.702 121.155 120.400 0.088 0.000 2.507 493 D HA 0.486 5.126 4.640 -0.000 0.000 0.280 493 D C 1.648 177.992 176.300 0.073 0.000 1.219 493 D CA -0.400 53.658 54.000 0.097 0.000 1.085 493 D CB -0.055 40.839 40.800 0.157 0.000 1.134 493 D HN 0.661 nan 8.370 nan 0.000 0.583 494 A N -1.471 121.390 122.820 0.068 0.000 2.121 494 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 494 A C 1.130 178.574 177.584 -0.233 0.000 1.154 494 A CA 0.889 52.877 52.037 -0.082 0.000 0.679 494 A CB -0.950 17.980 19.000 -0.117 0.000 0.795 494 A HN 0.541 nan 8.150 nan 0.000 0.458 495 Y N -1.321 118.995 120.300 0.027 0.000 2.658 495 Y HA 0.248 4.797 4.550 -0.000 0.000 0.276 495 Y C 0.727 176.650 175.900 0.038 0.000 1.167 495 Y CA -0.260 57.857 58.100 0.028 0.000 1.230 495 Y CB -0.330 38.130 38.460 -0.001 0.000 1.144 495 Y HN 0.429 nan 8.280 nan 0.000 0.529 496 N N -0.110 118.659 118.700 0.115 0.000 2.747 496 N HA -0.172 4.567 4.740 -0.000 0.000 0.249 496 N C -0.648 174.915 175.510 0.089 0.000 1.107 496 N CA 0.600 53.700 53.050 0.083 0.000 0.707 496 N CB -0.500 38.026 38.487 0.065 0.000 1.054 496 N HN 0.153 nan 8.380 nan 0.000 0.555 497 M N -0.382 119.285 119.600 0.112 0.000 2.654 497 M HA 0.438 4.917 4.480 -0.000 0.000 0.310 497 M C -2.115 174.249 176.300 0.107 0.000 1.211 497 M CA -1.978 53.376 55.300 0.089 0.000 0.947 497 M CB 0.644 33.295 32.600 0.084 0.000 1.647 497 M HN -0.264 nan 8.290 nan 0.000 0.481 498 P HA -0.011 nan 4.420 nan 0.000 0.261 498 P C -0.662 176.797 177.300 0.264 0.000 1.183 498 P CA 0.125 63.324 63.100 0.165 0.000 0.761 498 P CB 0.205 32.002 31.700 0.163 0.000 0.785 499 Q N 7.151 127.048 119.800 0.161 0.000 2.271 499 Q HA 0.154 4.494 4.340 -0.000 0.000 0.273 499 Q C -2.242 173.717 176.000 -0.067 0.000 1.051 499 Q CA -1.857 53.986 55.803 0.067 0.000 0.901 499 Q CB -0.171 28.559 28.738 -0.012 0.000 1.174 499 Q HN 0.295 nan 8.270 nan 0.000 0.385 500 P HA 0.132 nan 4.420 nan 0.000 0.271 500 P C -1.058 175.756 177.300 -0.810 0.000 1.218 500 P CA -0.179 62.503 63.100 -0.696 0.000 0.780 500 P CB 1.102 32.471 31.700 -0.551 0.000 0.901 501 T N 2.435 116.284 114.554 -1.175 0.000 2.952 501 T HA 0.516 4.866 4.350 -0.000 0.000 0.305 501 T C -0.694 173.323 174.700 -1.138 0.000 1.064 501 T CA -0.108 61.299 62.100 -1.155 0.000 1.008 501 T CB 0.555 68.443 68.868 -1.634 0.000 1.078 501 T HN 0.056 nan 8.240 nan 0.000 0.459 502 F N 1.894 121.567 119.950 -0.461 0.000 2.425 502 F HA 0.567 5.094 4.527 -0.000 0.000 0.331 502 F C 0.524 176.283 175.800 -0.068 0.000 1.085 502 F CA -0.958 56.908 58.000 -0.224 0.000 1.028 502 F CB 1.254 40.167 39.000 -0.145 0.000 1.177 502 F HN 0.413 nan 8.300 nan 0.000 0.487 503 D N 3.163 123.741 120.400 0.296 0.000 2.375 503 D HA 0.232 4.871 4.640 -0.000 0.000 0.259 503 D C -1.822 174.611 176.300 0.221 0.000 1.235 503 D CA -0.110 54.042 54.000 0.254 0.000 0.924 503 D CB 0.306 41.288 40.800 0.304 0.000 1.143 503 D HN 0.286 nan 8.370 nan 0.000 0.529 504 F N 3.221 123.169 119.950 -0.003 0.000 2.569 504 F HA 0.606 5.132 4.527 -0.000 0.000 0.312 504 F C -1.191 174.504 175.800 -0.174 0.000 1.109 504 F CA -0.588 57.343 58.000 -0.114 0.000 0.919 504 F CB 1.405 40.273 39.000 -0.220 0.000 1.211 504 F HN 0.034 nan 8.300 nan 0.000 0.446 505 R N 4.265 124.243 120.500 -0.869 0.000 2.698 505 R HA 0.358 4.698 4.340 -0.000 0.000 0.275 505 R C -1.657 174.024 176.300 -1.031 0.000 1.001 505 R CA -0.958 54.747 56.100 -0.660 0.000 0.896 505 R CB 1.792 31.918 30.300 -0.290 0.000 1.218 505 R HN 0.576 nan 8.270 nan 0.000 0.462 506 F N 2.822 122.568 119.950 -0.339 0.000 2.543 506 F HA 0.172 4.699 4.527 -0.000 0.000 0.375 506 F C -1.314 174.368 175.800 -0.198 0.000 1.075 506 F CA -1.162 56.712 58.000 -0.210 0.000 1.225 506 F CB -0.136 38.857 39.000 -0.013 0.000 1.099 506 F HN 0.132 nan 8.300 nan 0.000 0.561 507 P HA 0.130 nan 4.420 nan 0.000 0.266 507 P C -0.575 176.740 177.300 0.026 0.000 1.195 507 P CA -0.238 62.845 63.100 -0.029 0.000 0.768 507 P CB 0.526 32.221 31.700 -0.008 0.000 0.838 508 A N 2.507 125.329 122.820 0.003 0.000 2.386 508 A HA 0.553 4.873 4.320 -0.000 0.000 0.246 508 A C 1.078 178.678 177.584 0.026 0.000 1.089 508 A CA 0.841 52.885 52.037 0.012 0.000 0.790 508 A CB -0.971 18.029 19.000 0.000 0.000 1.042 508 A HN 0.845 nan 8.150 nan 0.000 0.497 509 G N 0.028 108.845 108.800 0.029 0.000 2.481 509 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.230 509 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.230 509 G C 0.979 175.910 174.900 0.051 0.000 1.210 509 G CA 0.731 45.853 45.100 0.037 0.000 0.936 509 G HN 1.089 nan 8.290 nan 0.000 0.583 510 R N -0.125 120.412 120.500 0.061 0.000 2.103 510 R HA -0.115 4.225 4.340 -0.000 0.000 0.242 510 R C 2.738 179.095 176.300 0.095 0.000 1.142 510 R CA 2.904 59.051 56.100 0.077 0.000 0.960 510 R CB -0.956 29.392 30.300 0.080 0.000 0.858 510 R HN 0.639 nan 8.270 nan 0.000 0.439 511 T N 0.022 114.635 114.554 0.099 0.000 2.684 511 T HA -0.119 4.230 4.350 -0.000 0.000 0.267 511 T C 1.955 176.706 174.700 0.085 0.000 1.036 511 T CA 1.841 64.013 62.100 0.121 0.000 1.148 511 T CB -0.203 68.759 68.868 0.156 0.000 0.863 511 T HN 0.284 nan 8.240 nan 0.000 0.436 512 S N 0.564 116.299 115.700 0.059 0.000 2.371 512 S HA -0.016 4.454 4.470 -0.000 0.000 0.224 512 S C 2.028 176.637 174.600 0.016 0.000 1.029 512 S CA 0.883 59.087 58.200 0.008 0.000 0.978 512 S CB -0.189 63.015 63.200 0.006 0.000 0.833 512 S HN 0.483 nan 8.310 nan 0.000 0.466 513 K N 1.332 121.759 120.400 0.044 0.000 2.026 513 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 513 K C 1.898 178.553 176.600 0.093 0.000 1.048 513 K CA 1.432 57.754 56.287 0.058 0.000 0.929 513 K CB -0.130 32.408 32.500 0.064 0.000 0.713 513 K HN 0.356 nan 8.250 nan 0.000 0.439 514 E N -0.176 120.104 120.200 0.133 0.000 2.153 514 E HA -0.172 4.177 4.350 -0.000 0.000 0.194 514 E C 1.900 178.589 176.600 0.148 0.000 0.988 514 E CA 0.928 57.463 56.400 0.225 0.000 0.811 514 E CB -0.058 29.805 29.700 0.271 0.000 0.746 514 E HN 0.439 nan 8.360 nan 0.000 0.466 515 A N 1.229 124.102 122.820 0.087 0.000 1.898 515 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 515 A C 2.059 179.704 177.584 0.102 0.000 1.181 515 A CA 1.598 53.680 52.037 0.075 0.000 0.620 515 A CB -0.251 18.741 19.000 -0.013 0.000 0.819 515 A HN 0.109 nan 8.150 nan 0.000 0.442 516 E N 0.497 120.738 120.200 0.068 0.000 2.112 516 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 516 E C 1.217 177.799 176.600 -0.031 0.000 0.979 516 E CA 1.343 57.786 56.400 0.072 0.000 0.814 516 E CB -0.280 29.441 29.700 0.034 0.000 0.762 516 E HN 0.478 nan 8.360 nan 0.000 0.460 517 D N -0.117 120.262 120.400 -0.034 0.000 2.178 517 D HA -0.159 4.480 4.640 -0.000 0.000 0.201 517 D C 1.866 177.930 176.300 -0.393 0.000 0.980 517 D CA 1.047 55.016 54.000 -0.052 0.000 0.842 517 D CB -0.267 40.630 40.800 0.161 0.000 0.948 517 D HN 0.317 nan 8.370 nan 0.000 0.472 518 M N -0.341 118.829 119.600 -0.717 0.000 2.132 518 M HA -0.176 4.304 4.480 -0.000 0.000 0.263 518 M C 2.011 177.899 176.300 -0.686 0.000 1.065 518 M CA 1.119 55.648 55.300 -1.285 0.000 1.122 518 M CB 0.025 32.058 32.600 -0.946 0.000 1.365 518 M HN -0.044 nan 8.290 nan 0.000 0.411 519 M N 0.458 119.787 119.600 -0.452 0.000 2.065 519 M HA -0.169 4.311 4.480 -0.000 0.000 0.259 519 M C 1.812 177.908 176.300 -0.339 0.000 1.069 519 M CA 2.468 57.507 55.300 -0.435 0.000 1.110 519 M CB -1.002 31.412 32.600 -0.310 0.000 1.328 519 M HN 0.269 nan 8.290 nan 0.000 0.405 520 T N -0.000 114.421 114.554 -0.221 0.000 2.720 520 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 520 T C 1.500 176.132 174.700 -0.114 0.000 1.037 520 T CA 1.801 63.822 62.100 -0.132 0.000 1.144 520 T CB -0.657 68.176 68.868 -0.059 0.000 0.864 520 T HN 0.529 nan 8.240 nan 0.000 0.444 521 D N 0.584 120.916 120.400 -0.114 0.000 2.133 521 D HA -0.107 4.533 4.640 -0.000 0.000 0.195 521 D C 2.035 178.340 176.300 0.009 0.000 0.997 521 D CA 1.002 55.041 54.000 0.064 0.000 0.840 521 D CB -0.222 40.720 40.800 0.237 0.000 0.947 521 D HN 0.314 nan 8.370 nan 0.000 0.452 522 M N -0.584 118.800 119.600 -0.361 0.000 2.132 522 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 522 M C 1.969 177.990 176.300 -0.465 0.000 1.065 522 M CA 1.229 56.053 55.300 -0.792 0.000 1.122 522 M CB -0.150 31.669 32.600 -1.301 0.000 1.365 522 M HN 0.188 nan 8.290 nan 0.000 0.411 523 C N -0.180 118.943 119.300 -0.294 0.000 2.413 523 C HA -0.128 4.332 4.460 -0.000 0.000 0.276 523 C C 2.683 177.583 174.990 -0.151 0.000 1.236 523 C CA 0.964 59.915 59.018 -0.113 0.000 1.735 523 C CB -1.028 26.690 27.740 -0.036 0.000 2.031 523 C HN 0.501 nan 8.230 nan 0.000 0.474 524 V N 0.550 120.405 119.914 -0.099 0.000 2.270 524 V HA -0.294 3.826 4.120 -0.000 0.000 0.245 524 V C 2.401 178.467 176.094 -0.047 0.000 1.043 524 V CA 2.347 64.617 62.300 -0.050 0.000 1.014 524 V CB -0.674 31.169 31.823 0.034 0.000 0.645 524 V HN 0.593 nan 8.190 nan 0.000 0.447 525 M N 0.720 120.335 119.600 0.025 0.000 2.132 525 M HA -0.168 4.311 4.480 -0.000 0.000 0.263 525 M C 2.458 178.635 176.300 -0.205 0.000 1.065 525 M CA 2.379 57.764 55.300 0.142 0.000 1.122 525 M CB -0.207 32.630 32.600 0.396 0.000 1.365 525 M HN 0.556 nan 8.290 nan 0.000 0.411 526 S N 0.581 115.860 115.700 -0.702 0.000 2.399 526 S HA -0.063 4.407 4.470 -0.000 0.000 0.231 526 S C 2.030 176.236 174.600 -0.656 0.000 1.022 526 S CA 0.994 58.382 58.200 -1.353 0.000 0.983 526 S CB -0.922 61.232 63.200 -1.744 0.000 0.803 526 S HN 0.587 nan 8.310 nan 0.000 0.480 527 A N 2.200 124.735 122.820 -0.475 0.000 2.024 527 A HA -0.082 4.238 4.320 -0.000 0.000 0.220 527 A C 2.178 179.629 177.584 -0.222 0.000 1.164 527 A CA 1.573 53.386 52.037 -0.374 0.000 0.643 527 A CB -0.623 18.187 19.000 -0.317 0.000 0.806 527 A HN 0.652 nan 8.150 nan 0.000 0.451 528 K N -0.742 119.570 120.400 -0.145 0.000 2.283 528 K HA -0.013 4.307 4.320 -0.000 0.000 0.202 528 K C 1.245 177.831 176.600 -0.023 0.000 1.048 528 K CA 0.908 57.157 56.287 -0.064 0.000 0.948 528 K CB -0.046 32.451 32.500 -0.005 0.000 0.742 528 K HN 0.418 nan 8.250 nan 0.000 0.458 529 I N -0.762 119.807 120.570 -0.001 0.000 3.172 529 I HA 0.145 4.314 4.170 -0.000 0.000 0.278 529 I C 1.117 177.244 176.117 0.018 0.000 1.174 529 I CA 0.606 61.956 61.300 0.084 0.000 1.445 529 I CB -0.047 38.139 38.000 0.309 0.000 1.175 529 I HN 0.108 nan 8.210 nan 0.000 0.447 530 G N -0.655 108.100 108.800 -0.076 0.000 2.356 530 G HA2 0.456 4.416 3.960 -0.000 0.000 0.294 530 G HA3 0.456 4.416 3.960 -0.000 0.000 0.294 530 G C -0.667 174.087 174.900 -0.242 0.000 1.423 530 G CA -0.182 44.854 45.100 -0.107 0.000 0.806 530 G HN 0.271 nan 8.290 nan 0.000 0.527 531 G N -0.985 107.670 108.800 -0.241 0.000 2.539 531 G HA2 0.553 4.512 3.960 -0.000 0.000 0.258 531 G HA3 0.553 4.512 3.960 -0.000 0.000 0.258 531 G C -0.142 174.586 174.900 -0.287 0.000 1.202 531 G CA -0.505 44.369 45.100 -0.378 0.000 0.851 531 G HN 0.480 nan 8.290 nan 0.000 0.556 532 F N -0.442 119.416 119.950 -0.152 0.000 2.602 532 F HA 0.133 4.660 4.527 -0.000 0.000 0.367 532 F C 0.784 176.529 175.800 -0.092 0.000 1.126 532 F CA -0.684 57.223 58.000 -0.155 0.000 1.321 532 F CB 0.444 39.342 39.000 -0.170 0.000 1.094 532 F HN 0.191 nan 8.300 nan 0.000 0.594 533 L N 6.107 127.405 121.223 0.125 0.000 2.369 533 L HA 0.370 4.710 4.340 -0.000 0.000 0.279 533 L C -2.388 174.532 176.870 0.083 0.000 1.108 533 L CA -1.837 53.051 54.840 0.080 0.000 0.852 533 L CB -0.051 42.050 42.059 0.070 0.000 1.169 533 L HN 0.282 nan 8.230 nan 0.000 0.452 534 P HA 0.191 nan 4.420 nan 0.000 0.264 534 P C 0.630 177.983 177.300 0.087 0.000 1.183 534 P CA 1.001 64.141 63.100 0.068 0.000 0.763 534 P CB 0.665 32.400 31.700 0.057 0.000 0.807 535 G N 1.906 110.751 108.800 0.075 0.000 2.199 535 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.254 535 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.254 535 G C 0.457 175.445 174.900 0.146 0.000 0.982 535 G CA 0.233 45.397 45.100 0.107 0.000 0.632 535 G HN 0.522 nan 8.290 nan 0.000 0.529 536 S N 0.787 116.548 115.700 0.102 0.000 2.617 536 S HA 0.526 4.996 4.470 -0.000 0.000 0.237 536 S C 0.484 175.007 174.600 -0.129 0.000 1.142 536 S CA -0.540 57.703 58.200 0.072 0.000 1.167 536 S CB 0.305 63.526 63.200 0.034 0.000 1.068 536 S HN 0.463 nan 8.310 nan 0.000 0.470 537 L N 2.435 123.570 121.223 -0.147 0.000 2.453 537 L HA 0.362 4.702 4.340 -0.000 0.000 0.261 537 L C -2.088 174.497 176.870 -0.474 0.000 1.179 537 L CA -2.277 52.338 54.840 -0.374 0.000 0.813 537 L CB -0.039 41.865 42.059 -0.258 0.000 1.110 537 L HN 0.057 nan 8.230 nan 0.000 0.466 538 P HA 0.011 nan 4.420 nan 0.000 0.264 538 P C -1.418 175.655 177.300 -0.379 0.000 1.193 538 P CA 0.126 62.839 63.100 -0.646 0.000 0.763 538 P CB 0.455 31.677 31.700 -0.797 0.000 0.810 539 Q N 1.612 121.228 119.800 -0.307 0.000 2.472 539 Q HA 0.469 4.809 4.340 -0.000 0.000 0.281 539 Q C -1.438 174.417 176.000 -0.241 0.000 0.997 539 Q CA -0.860 54.842 55.803 -0.167 0.000 0.828 539 Q CB 0.673 29.392 28.738 -0.032 0.000 1.443 539 Q HN 0.092 nan 8.270 nan 0.000 0.390 540 F N 1.574 121.471 119.950 -0.087 0.000 2.412 540 F HA 0.312 4.839 4.527 -0.000 0.000 0.348 540 F C 0.634 176.404 175.800 -0.050 0.000 1.102 540 F CA -0.281 57.668 58.000 -0.084 0.000 1.196 540 F CB 0.962 39.904 39.000 -0.097 0.000 1.144 540 F HN 0.396 nan 8.300 nan 0.000 0.541 541 M N 2.587 122.241 119.600 0.090 0.000 2.247 541 M HA 0.187 4.667 4.480 -0.000 0.000 0.326 541 M C 0.154 176.499 176.300 0.076 0.000 1.134 541 M CA -0.582 54.741 55.300 0.038 0.000 1.136 541 M CB 0.766 33.343 32.600 -0.037 0.000 1.454 541 M HN 0.476 nan 8.290 nan 0.000 0.467 542 K N 1.762 122.180 120.400 0.030 0.000 2.550 542 K HA 0.021 4.341 4.320 -0.000 0.000 0.280 542 K C -2.258 174.365 176.600 0.038 0.000 0.987 542 K CA -0.892 55.411 56.287 0.026 0.000 1.048 542 K CB -0.463 32.027 32.500 -0.017 0.000 0.879 542 K HN 0.295 nan 8.250 nan 0.000 0.491 543 P HA -0.036 nan 4.420 nan 0.000 0.267 543 P C 0.516 177.743 177.300 -0.122 0.000 1.209 543 P CA 0.721 63.850 63.100 0.049 0.000 0.763 543 P CB 0.680 32.384 31.700 0.006 0.000 0.816 544 G N 2.622 111.356 108.800 -0.109 0.000 2.195 544 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.246 544 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.246 544 G C 0.749 175.599 174.900 -0.083 0.000 0.984 544 G CA 0.122 45.120 45.100 -0.170 0.000 0.633 544 G HN 0.512 nan 8.290 nan 0.000 0.525 545 L N 1.114 122.306 121.223 -0.052 0.000 2.127 545 L HA 0.123 4.463 4.340 -0.000 0.000 0.211 545 L C 2.876 179.729 176.870 -0.029 0.000 1.089 545 L CA 2.458 57.271 54.840 -0.045 0.000 0.757 545 L CB -0.576 41.451 42.059 -0.054 0.000 0.899 545 L HN 0.528 nan 8.230 nan 0.000 0.434 546 V N 0.112 120.014 119.914 -0.021 0.000 2.370 546 V HA -0.258 3.862 4.120 -0.000 0.000 0.252 546 V C 1.572 177.593 176.094 -0.121 0.000 1.068 546 V CA 1.741 64.012 62.300 -0.047 0.000 1.061 546 V CB -0.248 31.590 31.823 0.026 0.000 0.656 546 V HN 0.515 nan 8.190 nan 0.000 0.455 547 L N -0.245 120.975 121.223 -0.004 0.000 3.548 547 L HA -0.228 4.112 4.340 -0.000 0.000 0.443 547 L C 0.251 177.280 176.870 0.265 0.000 1.286 547 L CA 0.884 55.786 54.840 0.103 0.000 0.863 547 L CB -2.534 39.609 42.059 0.140 0.000 1.734 547 L HN 0.598 nan 8.230 nan 0.000 0.873 548 H N -0.653 118.521 119.070 0.173 0.000 2.492 548 H HA 0.281 4.837 4.556 -0.000 0.000 0.264 548 H C 0.446 175.910 175.328 0.226 0.000 1.150 548 H CA -1.049 55.140 56.048 0.236 0.000 0.962 548 H CB 0.777 30.718 29.762 0.298 0.000 1.766 548 H HN 0.199 nan 8.280 nan 0.000 0.589 549 L N 2.002 123.368 121.223 0.238 0.000 2.540 549 L HA 0.210 4.550 4.340 -0.000 0.000 0.276 549 L C 0.616 177.612 176.870 0.210 0.000 1.212 549 L CA 0.722 55.654 54.840 0.153 0.000 0.893 549 L CB 0.325 42.435 42.059 0.085 0.000 1.138 549 L HN 0.290 nan 8.230 nan 0.000 0.491 550 G N 1.967 110.902 108.800 0.226 0.000 2.658 550 G HA2 0.537 4.497 3.960 -0.000 0.000 0.292 550 G HA3 0.537 4.497 3.960 -0.000 0.000 0.292 550 G C 0.305 175.305 174.900 0.167 0.000 1.320 550 G CA -0.288 44.963 45.100 0.251 0.000 0.933 550 G HN 1.289 nan 8.290 nan 0.000 0.476 551 G N -1.029 107.835 108.800 0.106 0.000 2.162 551 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 551 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 551 G C 1.338 176.302 174.900 0.106 0.000 0.976 551 G CA 1.543 46.714 45.100 0.118 0.000 0.655 551 G HN 1.865 nan 8.290 nan 0.000 0.533 552 T N -2.038 112.528 114.554 0.021 0.000 2.995 552 T HA 0.119 4.469 4.350 -0.000 0.000 0.269 552 T C 1.107 175.895 174.700 0.147 0.000 1.091 552 T CA 1.894 64.047 62.100 0.090 0.000 1.128 552 T CB -0.271 68.656 68.868 0.099 0.000 0.891 552 T HN 1.540 nan 8.240 nan 0.000 0.492 553 H N -0.170 118.970 119.070 0.117 0.000 2.823 553 H HA 0.456 5.012 4.556 -0.000 0.000 0.222 553 H C -0.134 175.232 175.328 0.063 0.000 1.414 553 H CA -1.331 54.761 56.048 0.073 0.000 1.289 553 H CB -0.352 29.419 29.762 0.015 0.000 1.970 553 H HN 0.361 nan 8.280 nan 0.000 0.517 554 R N 0.758 121.344 120.500 0.144 0.000 2.594 554 R HA 0.297 4.637 4.340 -0.000 0.000 0.272 554 R C -0.343 176.013 176.300 0.093 0.000 1.074 554 R CA -0.716 55.438 56.100 0.090 0.000 1.105 554 R CB 1.004 31.349 30.300 0.075 0.000 1.008 554 R HN 0.468 nan 8.270 nan 0.000 0.472 555 M N 1.673 121.303 119.600 0.051 0.000 2.250 555 M HA 0.414 4.894 4.480 -0.000 0.000 0.344 555 M C -0.415 175.877 176.300 -0.014 0.000 1.150 555 M CA 0.407 55.711 55.300 0.007 0.000 1.147 555 M CB 1.386 33.965 32.600 -0.035 0.000 1.498 555 M HN 0.966 nan 8.290 nan 0.000 0.461 556 G N 2.158 110.954 108.800 -0.007 0.000 2.495 556 G HA2 0.386 4.346 3.960 -0.000 0.000 0.294 556 G HA3 0.386 4.346 3.960 -0.000 0.000 0.294 556 G C -0.904 173.990 174.900 -0.010 0.000 1.397 556 G CA -0.711 44.338 45.100 -0.084 0.000 0.790 556 G HN 0.662 nan 8.290 nan 0.000 0.486 557 F N -0.032 120.014 119.950 0.160 0.000 2.234 557 F HA 0.258 4.785 4.527 -0.000 0.000 0.296 557 F C 1.110 177.036 175.800 0.209 0.000 1.089 557 F CA 1.117 59.215 58.000 0.164 0.000 1.343 557 F CB 0.390 39.447 39.000 0.094 0.000 1.040 557 F HN 0.394 nan 8.300 nan 0.000 0.498 558 D N -1.102 119.468 120.400 0.283 0.000 2.863 558 D HA 0.127 4.767 4.640 -0.000 0.000 0.245 558 D C 0.688 176.843 176.300 -0.242 0.000 1.211 558 D CA -0.259 53.749 54.000 0.014 0.000 0.888 558 D CB 1.279 42.100 40.800 0.036 0.000 1.483 558 D HN 0.063 nan 8.370 nan 0.000 0.533 559 E N 3.137 122.853 120.200 -0.808 0.000 2.070 559 E HA -0.294 4.056 4.350 -0.000 0.000 0.197 559 E C 1.343 177.767 176.600 -0.294 0.000 1.004 559 E CA 1.360 57.266 56.400 -0.823 0.000 0.805 559 E CB 0.265 29.312 29.700 -1.087 0.000 0.744 559 E HN 0.456 nan 8.360 nan 0.000 0.451 560 K N 0.180 120.450 120.400 -0.217 0.000 2.005 560 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 560 K C 2.066 178.634 176.600 -0.054 0.000 1.044 560 K CA 1.422 57.650 56.287 -0.097 0.000 0.942 560 K CB 0.003 32.460 32.500 -0.073 0.000 0.727 560 K HN 0.079 nan 8.250 nan 0.000 0.439 561 E N 0.353 120.527 120.200 -0.043 0.000 2.110 561 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 561 E C 0.801 177.402 176.600 0.000 0.000 0.988 561 E CA 1.185 57.582 56.400 -0.005 0.000 0.804 561 E CB 0.097 29.807 29.700 0.017 0.000 0.745 561 E HN 0.379 nan 8.360 nan 0.000 0.458 562 D N 0.047 120.442 120.400 -0.008 0.000 2.368 562 D HA 0.055 4.694 4.640 -0.000 0.000 0.218 562 D C -0.644 175.602 176.300 -0.092 0.000 1.112 562 D CA -0.023 53.968 54.000 -0.015 0.000 0.834 562 D CB 0.038 40.866 40.800 0.047 0.000 0.953 562 D HN 0.095 nan 8.370 nan 0.000 0.505 563 N N 0.679 119.324 118.700 -0.092 0.000 2.667 563 N HA -0.194 4.546 4.740 -0.000 0.000 0.263 563 N C -0.252 175.190 175.510 -0.114 0.000 1.038 563 N CA 0.532 53.509 53.050 -0.123 0.000 0.749 563 N CB -1.383 36.916 38.487 -0.313 0.000 0.892 563 N HN 0.408 nan 8.380 nan 0.000 0.546 564 C N -3.302 116.004 119.300 0.010 0.000 3.285 564 C HA 0.768 5.227 4.460 -0.000 0.000 0.320 564 C C 1.342 176.502 174.990 0.283 0.000 1.411 564 C CA -0.699 58.395 59.018 0.126 0.000 1.429 564 C CB 1.570 29.402 27.740 0.153 0.000 1.812 564 C HN 0.485 nan 8.230 nan 0.000 0.454 565 C N 0.376 119.868 119.300 0.320 0.000 3.123 565 C HA 0.475 4.935 4.460 -0.000 0.000 0.399 565 C C 0.701 175.786 174.990 0.159 0.000 1.320 565 C CA 0.593 59.800 59.018 0.314 0.000 1.949 565 C CB -0.418 27.426 27.740 0.173 0.000 2.692 565 C HN 0.954 nan 8.230 nan 0.000 0.623 566 V N 1.345 121.239 119.914 -0.034 0.000 2.914 566 V HA 0.713 4.833 4.120 -0.000 0.000 0.314 566 V C -0.733 175.005 176.094 -0.593 0.000 1.084 566 V CA -0.656 61.380 62.300 -0.440 0.000 0.963 566 V CB 1.507 33.196 31.823 -0.223 0.000 1.025 566 V HN 0.409 nan 8.190 nan 0.000 0.432 567 N N 0.888 119.078 118.700 -0.850 0.000 2.431 567 N HA 0.270 5.010 4.740 -0.000 0.000 0.289 567 N C 1.039 176.406 175.510 -0.238 0.000 1.277 567 N CA 0.171 52.949 53.050 -0.453 0.000 0.972 567 N CB -0.100 38.164 38.487 -0.372 0.000 1.143 567 N HN 0.910 nan 8.380 nan 0.000 0.578 568 T N -4.839 109.625 114.554 -0.150 0.000 3.113 568 T HA 0.013 4.363 4.350 -0.000 0.000 0.263 568 T C 0.130 174.753 174.700 -0.128 0.000 1.143 568 T CA 0.592 62.604 62.100 -0.147 0.000 1.090 568 T CB -0.388 68.411 68.868 -0.115 0.000 0.922 568 T HN 0.415 nan 8.240 nan 0.000 0.521 569 D N 1.122 121.439 120.400 -0.138 0.000 2.328 569 D HA 0.172 4.812 4.640 -0.000 0.000 0.221 569 D C 0.582 176.884 176.300 0.003 0.000 1.072 569 D CA 0.148 54.086 54.000 -0.104 0.000 0.850 569 D CB 0.051 40.681 40.800 -0.282 0.000 0.922 569 D HN 0.337 nan 8.370 nan 0.000 0.516 570 S N 0.187 115.856 115.700 -0.051 0.000 3.561 570 S HA -0.254 4.216 4.470 -0.000 0.000 0.318 570 S C 0.518 175.109 174.600 -0.016 0.000 1.181 570 S CA 0.423 58.626 58.200 0.006 0.000 0.916 570 S CB -1.339 61.939 63.200 0.131 0.000 0.966 570 S HN 0.461 nan 8.310 nan 0.000 0.550 571 R N 1.128 121.493 120.500 -0.225 0.000 2.297 571 R HA 0.474 4.813 4.340 -0.000 0.000 0.308 571 R C -0.039 175.947 176.300 -0.524 0.000 1.029 571 R CA -0.469 55.308 56.100 -0.537 0.000 0.929 571 R CB 0.720 30.652 30.300 -0.613 0.000 1.046 571 R HN 0.137 nan 8.270 nan 0.000 0.461 572 V N 6.178 125.813 119.914 -0.465 0.000 2.540 572 V HA -0.009 4.110 4.120 -0.000 0.000 0.297 572 V C 0.220 176.246 176.094 -0.113 0.000 1.024 572 V CA 0.299 62.413 62.300 -0.310 0.000 1.105 572 V CB -0.275 31.343 31.823 -0.343 0.000 0.938 572 V HN 0.559 nan 8.190 nan 0.000 0.482 573 F N 3.729 123.706 119.950 0.045 0.000 2.629 573 F HA 0.391 4.918 4.527 -0.000 0.000 0.377 573 F C 1.625 177.546 175.800 0.202 0.000 1.101 573 F CA 1.562 59.617 58.000 0.092 0.000 1.301 573 F CB 0.007 39.057 39.000 0.082 0.000 1.062 573 F HN 0.788 nan 8.300 nan 0.000 0.583 574 G N 2.032 111.017 108.800 0.309 0.000 2.304 574 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.252 574 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.252 574 G C -0.064 174.785 174.900 -0.085 0.000 1.014 574 G CA -0.294 44.876 45.100 0.117 0.000 0.619 574 G HN 0.443 nan 8.290 nan 0.000 0.525 575 F N 0.895 120.866 119.950 0.036 0.000 2.436 575 F HA 0.629 5.156 4.527 -0.000 0.000 0.340 575 F C 1.347 177.130 175.800 -0.028 0.000 1.113 575 F CA -1.019 56.988 58.000 0.011 0.000 1.022 575 F CB 1.684 40.686 39.000 0.003 0.000 1.128 575 F HN -0.259 nan 8.300 nan 0.000 0.466 576 K N 1.626 122.119 120.400 0.155 0.000 2.155 576 K HA -0.064 4.256 4.320 -0.000 0.000 0.203 576 K C 0.759 177.555 176.600 0.328 0.000 1.052 576 K CA 0.973 57.390 56.287 0.216 0.000 0.948 576 K CB -0.112 32.523 32.500 0.225 0.000 0.728 576 K HN 0.658 nan 8.250 nan 0.000 0.448 577 N N -0.060 118.796 118.700 0.260 0.000 2.377 577 N HA 0.050 4.790 4.740 -0.000 0.000 0.259 577 N C -0.727 174.870 175.510 0.145 0.000 1.332 577 N CA -0.351 52.887 53.050 0.314 0.000 0.877 577 N CB -0.056 38.671 38.487 0.400 0.000 1.299 577 N HN -0.059 nan 8.380 nan 0.000 0.501 578 L N 0.598 121.682 121.223 -0.232 0.000 2.376 578 L HA 0.705 5.045 4.340 -0.000 0.000 0.275 578 L C -1.852 174.610 176.870 -0.680 0.000 0.987 578 L CA -0.614 54.070 54.840 -0.260 0.000 0.828 578 L CB 0.977 42.881 42.059 -0.259 0.000 1.249 578 L HN -0.028 nan 8.230 nan 0.000 0.409 579 F N 4.862 124.725 119.950 -0.145 0.000 2.563 579 F HA 0.671 5.198 4.527 -0.000 0.000 0.316 579 F C -0.563 175.076 175.800 -0.268 0.000 1.076 579 F CA -0.693 57.199 58.000 -0.179 0.000 0.921 579 F CB 1.838 40.760 39.000 -0.129 0.000 1.209 579 F HN 0.196 nan 8.300 nan 0.000 0.462 580 L N 1.743 122.913 121.223 -0.088 0.000 2.346 580 L HA 0.909 5.249 4.340 -0.000 0.000 0.274 580 L C 0.100 176.962 176.870 -0.014 0.000 1.007 580 L CA -0.831 53.889 54.840 -0.199 0.000 0.818 580 L CB 1.941 43.731 42.059 -0.449 0.000 1.284 580 L HN 0.788 nan 8.230 nan 0.000 0.424 581 G N 0.043 108.847 108.800 0.007 0.000 2.519 581 G HA2 0.790 4.750 3.960 -0.000 0.000 0.307 581 G HA3 0.790 4.750 3.960 -0.000 0.000 0.307 581 G C -0.544 174.471 174.900 0.192 0.000 1.266 581 G CA -0.281 44.929 45.100 0.183 0.000 0.970 581 G HN 0.973 nan 8.290 nan 0.000 0.481 582 G N -1.356 107.551 108.800 0.179 0.000 2.343 582 G HA2 0.050 4.009 3.960 -0.000 0.000 0.465 582 G HA3 0.050 4.009 3.960 -0.000 0.000 0.465 582 G C 0.749 175.697 174.900 0.080 0.000 1.282 582 G CA 0.067 45.248 45.100 0.136 0.000 0.996 582 G HN 1.171 nan 8.290 nan 0.000 0.521 583 C N 0.667 119.991 119.300 0.040 0.000 2.432 583 C HA 0.217 4.677 4.460 -0.000 0.000 0.282 583 C C 3.013 177.974 174.990 -0.048 0.000 1.388 583 C CA 1.798 60.819 59.018 0.004 0.000 1.777 583 C CB -1.312 26.464 27.740 0.060 0.000 1.882 583 C HN 1.259 nan 8.230 nan 0.000 0.520 584 G N 1.139 109.808 108.800 -0.218 0.000 2.470 584 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.220 584 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.220 584 G C 1.441 175.975 174.900 -0.611 0.000 1.121 584 G CA 0.707 45.389 45.100 -0.698 0.000 0.766 584 G HN 0.548 nan 8.290 nan 0.000 0.553 585 N N 0.361 118.925 118.700 -0.227 0.000 2.331 585 N HA 0.022 4.762 4.740 -0.000 0.000 0.180 585 N C 0.923 176.444 175.510 0.019 0.000 1.019 585 N CA 0.155 53.215 53.050 0.017 0.000 0.881 585 N CB 0.048 38.594 38.487 0.098 0.000 0.972 585 N HN 0.297 nan 8.380 nan 0.000 0.435 586 I N 3.164 123.743 120.570 0.016 0.000 2.517 586 I HA 0.021 4.191 4.170 -0.000 0.000 0.285 586 I C -1.332 174.869 176.117 0.141 0.000 1.106 586 I CA -0.910 60.428 61.300 0.062 0.000 1.402 586 I CB 1.163 39.151 38.000 -0.020 0.000 1.399 586 I HN -0.044 nan 8.210 nan 0.000 0.535 587 P HA 0.063 nan 4.420 nan 0.000 0.267 587 P C 0.259 177.642 177.300 0.140 0.000 1.289 587 P CA 0.188 63.354 63.100 0.110 0.000 0.866 587 P CB 0.222 31.948 31.700 0.042 0.000 1.309 588 T N -2.162 112.509 114.554 0.196 0.000 2.897 588 T HA 0.679 5.029 4.350 -0.000 0.000 0.278 588 T C 0.188 175.014 174.700 0.210 0.000 0.981 588 T CA -0.850 61.353 62.100 0.171 0.000 0.973 588 T CB 1.173 70.121 68.868 0.134 0.000 1.092 588 T HN 0.054 nan 8.240 nan 0.000 0.543 589 A N 1.778 124.657 122.820 0.098 0.000 2.302 589 A HA 0.615 4.935 4.320 -0.000 0.000 0.295 589 A C -0.684 176.860 177.584 -0.067 0.000 1.235 589 A CA -0.859 51.186 52.037 0.015 0.000 0.876 589 A CB -0.814 18.215 19.000 0.048 0.000 1.133 589 A HN 0.881 nan 8.150 nan 0.000 0.533 590 Y N -0.327 119.885 120.300 -0.146 0.000 2.512 590 Y HA 0.719 5.269 4.550 -0.000 0.000 0.348 590 Y C 0.689 176.471 175.900 -0.196 0.000 0.990 590 Y CA -0.729 57.100 58.100 -0.452 0.000 1.033 590 Y CB 1.423 39.382 38.460 -0.835 0.000 1.259 590 Y HN 0.397 nan 8.280 nan 0.000 0.461 591 G N 0.582 109.303 108.800 -0.131 0.000 2.743 591 G HA2 0.402 4.362 3.960 -0.000 0.000 0.206 591 G HA3 0.402 4.362 3.960 -0.000 0.000 0.206 591 G C 0.406 175.411 174.900 0.176 0.000 1.115 591 G CA 0.170 45.396 45.100 0.209 0.000 0.782 591 G HN 0.954 nan 8.290 nan 0.000 0.524 592 A N 0.742 123.501 122.820 -0.103 0.000 2.366 592 A HA 0.476 4.795 4.320 -0.000 0.000 0.249 592 A C -0.082 177.430 177.584 -0.119 0.000 1.084 592 A CA -0.471 51.392 52.037 -0.290 0.000 0.794 592 A CB 0.053 18.891 19.000 -0.270 0.000 1.034 592 A HN 0.356 nan 8.150 nan 0.000 0.491 593 N N 2.017 120.505 118.700 -0.353 0.000 2.468 593 N HA 0.240 4.980 4.740 -0.000 0.000 0.265 593 N C -1.978 173.426 175.510 -0.176 0.000 1.199 593 N CA -0.847 51.962 53.050 -0.403 0.000 0.928 593 N CB 0.540 38.863 38.487 -0.274 0.000 1.059 593 N HN 0.425 nan 8.380 nan 0.000 0.467 594 P HA -0.009 nan 4.420 nan 0.000 0.240 594 P C 0.452 177.645 177.300 -0.179 0.000 1.190 594 P CA 0.658 63.644 63.100 -0.190 0.000 0.781 594 P CB 0.324 31.883 31.700 -0.234 0.000 0.931 595 T N 0.918 115.441 114.554 -0.051 0.000 2.746 595 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 595 T C 1.767 176.543 174.700 0.127 0.000 1.039 595 T CA 0.956 63.085 62.100 0.048 0.000 1.142 595 T CB -0.803 68.120 68.868 0.092 0.000 0.866 595 T HN 0.020 nan 8.240 nan 0.000 0.444 596 L N 1.149 122.471 121.223 0.164 0.000 2.046 596 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 596 L C 2.528 179.468 176.870 0.116 0.000 1.077 596 L CA 1.789 56.780 54.840 0.252 0.000 0.747 596 L CB -1.133 41.063 42.059 0.228 0.000 0.896 596 L HN 0.188 nan 8.230 nan 0.000 0.432 597 T N -0.291 114.209 114.554 -0.090 0.000 2.708 597 T HA -0.181 4.168 4.350 -0.000 0.000 0.266 597 T C 1.900 176.510 174.700 -0.149 0.000 1.037 597 T CA 1.381 63.327 62.100 -0.257 0.000 1.146 597 T CB -0.555 67.752 68.868 -0.936 0.000 0.865 597 T HN 0.527 nan 8.240 nan 0.000 0.435 598 A N 1.452 124.190 122.820 -0.136 0.000 1.933 598 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 598 A C 2.311 179.858 177.584 -0.061 0.000 1.175 598 A CA 1.813 53.809 52.037 -0.069 0.000 0.628 598 A CB -0.738 18.241 19.000 -0.034 0.000 0.814 598 A HN 0.536 nan 8.150 nan 0.000 0.444 599 M N -0.335 119.235 119.600 -0.050 0.000 2.117 599 M HA -0.146 4.333 4.480 -0.000 0.000 0.262 599 M C 2.108 178.313 176.300 -0.158 0.000 1.065 599 M CA 2.106 57.346 55.300 -0.099 0.000 1.114 599 M CB -0.161 32.376 32.600 -0.105 0.000 1.361 599 M HN 0.371 nan 8.290 nan 0.000 0.408 600 S N 1.133 116.740 115.700 -0.155 0.000 2.368 600 S HA -0.110 4.360 4.470 -0.000 0.000 0.225 600 S C 1.750 176.156 174.600 -0.324 0.000 1.030 600 S CA 1.384 59.427 58.200 -0.262 0.000 0.999 600 S CB -0.491 62.508 63.200 -0.335 0.000 0.844 600 S HN 0.518 nan 8.310 nan 0.000 0.459 601 L N 1.082 122.153 121.223 -0.253 0.000 2.083 601 L HA -0.127 4.212 4.340 -0.000 0.000 0.209 601 L C 2.777 179.512 176.870 -0.225 0.000 1.083 601 L CA 1.160 55.854 54.840 -0.244 0.000 0.752 601 L CB -0.721 41.263 42.059 -0.125 0.000 0.899 601 L HN 0.318 nan 8.230 nan 0.000 0.433 602 A N 0.382 123.065 122.820 -0.227 0.000 1.933 602 A HA -0.165 4.154 4.320 -0.000 0.000 0.218 602 A C 2.224 179.491 177.584 -0.528 0.000 1.175 602 A CA 1.421 53.213 52.037 -0.408 0.000 0.628 602 A CB -0.608 18.159 19.000 -0.389 0.000 0.814 602 A HN 0.342 nan 8.150 nan 0.000 0.444 603 I N -0.472 119.879 120.570 -0.365 0.000 2.179 603 I HA -0.288 3.881 4.170 -0.000 0.000 0.242 603 I C 2.557 178.508 176.117 -0.276 0.000 1.088 603 I CA 1.929 63.047 61.300 -0.304 0.000 1.357 603 I CB -0.261 37.578 38.000 -0.269 0.000 1.051 603 I HN 0.383 nan 8.210 nan 0.000 0.409 604 K N 0.543 120.776 120.400 -0.278 0.000 2.063 604 K HA -0.238 4.082 4.320 -0.000 0.000 0.208 604 K C 2.359 178.868 176.600 -0.152 0.000 1.048 604 K CA 1.911 58.065 56.287 -0.222 0.000 0.928 604 K CB -0.142 32.191 32.500 -0.278 0.000 0.713 604 K HN 0.154 nan 8.250 nan 0.000 0.442 605 S N 0.024 115.618 115.700 -0.178 0.000 2.368 605 S HA -0.166 4.304 4.470 -0.000 0.000 0.225 605 S C 2.061 176.565 174.600 -0.160 0.000 1.030 605 S CA 1.494 59.633 58.200 -0.101 0.000 0.999 605 S CB -0.469 62.711 63.200 -0.033 0.000 0.844 605 S HN 0.574 nan 8.310 nan 0.000 0.459 606 C N 1.531 120.648 119.300 -0.305 0.000 2.422 606 C HA 0.017 4.477 4.460 -0.000 0.000 0.279 606 C C 2.482 177.392 174.990 -0.134 0.000 1.305 606 C CA 0.632 59.491 59.018 -0.265 0.000 1.757 606 C CB -1.504 26.041 27.740 -0.325 0.000 1.962 606 C HN 0.681 nan 8.230 nan 0.000 0.499 607 E N -0.396 119.746 120.200 -0.097 0.000 2.058 607 E HA -0.268 4.081 4.350 -0.000 0.000 0.194 607 E C 1.847 178.457 176.600 0.016 0.000 0.997 607 E CA 1.597 57.974 56.400 -0.039 0.000 0.801 607 E CB -0.343 29.329 29.700 -0.045 0.000 0.746 607 E HN 0.824 nan 8.360 nan 0.000 0.450 608 Y N 1.307 121.576 120.300 -0.052 0.000 2.128 608 Y HA -0.240 4.310 4.550 -0.000 0.000 0.284 608 Y C 1.996 177.930 175.900 0.057 0.000 1.154 608 Y CA 1.576 59.688 58.100 0.021 0.000 1.149 608 Y CB -0.119 38.389 38.460 0.081 0.000 0.976 608 Y HN -0.045 nan 8.280 nan 0.000 0.505 609 I N 0.304 120.910 120.570 0.060 0.000 2.208 609 I HA -0.346 3.824 4.170 -0.000 0.000 0.245 609 I C 2.221 178.393 176.117 0.091 0.000 1.097 609 I CA 1.751 63.072 61.300 0.034 0.000 1.363 609 I CB -0.416 37.395 38.000 -0.316 0.000 1.051 609 I HN 0.171 nan 8.210 nan 0.000 0.413 610 K N 0.379 120.802 120.400 0.038 0.000 2.209 610 K HA -0.190 4.130 4.320 -0.000 0.000 0.204 610 K C 1.945 178.586 176.600 0.069 0.000 1.048 610 K CA 1.147 57.515 56.287 0.136 0.000 0.940 610 K CB -0.121 32.433 32.500 0.091 0.000 0.729 610 K HN 0.438 nan 8.250 nan 0.000 0.451 611 Q N -0.278 119.494 119.800 -0.047 0.000 2.425 611 Q HA 0.081 4.421 4.340 -0.000 0.000 0.204 611 Q C 0.879 176.757 176.000 -0.204 0.000 0.933 611 Q CA 0.434 56.167 55.803 -0.117 0.000 0.939 611 Q CB 0.491 29.140 28.738 -0.148 0.000 1.044 611 Q HN 0.265 nan 8.270 nan 0.000 0.513 612 N N -1.068 117.485 118.700 -0.246 0.000 2.113 612 N HA 0.148 4.887 4.740 -0.000 0.000 0.223 612 N C -1.022 174.074 175.510 -0.690 0.000 1.310 612 N CA 0.251 53.009 53.050 -0.487 0.000 0.896 612 N CB 1.116 39.138 38.487 -0.775 0.000 1.097 612 N HN -0.006 nan 8.380 nan 0.000 0.507 613 F N 0.591 120.561 119.950 0.033 0.000 2.561 613 F HA 0.339 4.866 4.527 -0.000 0.000 0.313 613 F C 0.061 175.984 175.800 0.204 0.000 1.126 613 F CA -0.653 57.425 58.000 0.131 0.000 0.918 613 F CB 1.838 40.929 39.000 0.152 0.000 1.199 613 F HN -0.381 nan 8.300 nan 0.000 0.444 614 T N 4.215 118.936 114.554 0.278 0.000 2.799 614 T HA 0.415 4.765 4.350 -0.000 0.000 0.286 614 T C -2.493 172.235 174.700 0.047 0.000 0.973 614 T CA -1.357 60.806 62.100 0.105 0.000 1.035 614 T CB 1.018 69.911 68.868 0.043 0.000 0.932 614 T HN 0.141 nan 8.240 nan 0.000 0.469 615 P HA 0.168 nan 4.420 nan 0.000 0.269 615 P C -0.080 177.155 177.300 -0.109 0.000 1.209 615 P CA -0.536 62.345 63.100 -0.366 0.000 0.776 615 P CB 0.301 31.592 31.700 -0.682 0.000 0.876 616 S N 2.414 118.093 115.700 -0.035 0.000 2.579 616 S HA 0.321 4.791 4.470 -0.000 0.000 0.275 616 S C -2.171 172.432 174.600 0.005 0.000 1.345 616 S CA -0.962 57.238 58.200 0.000 0.000 1.031 616 S CB -0.854 62.352 63.200 0.011 0.000 0.892 616 S HN 0.291 nan 8.310 nan 0.000 0.529 617 P HA 0.203 nan 4.420 nan 0.000 0.271 617 P C -0.875 176.519 177.300 0.156 0.000 1.216 617 P CA -0.448 62.692 63.100 0.066 0.000 0.776 617 P CB 0.130 31.858 31.700 0.047 0.000 0.881 618 F N 3.000 122.936 119.950 -0.023 0.000 2.375 618 F HA 0.266 4.793 4.527 -0.000 0.000 0.362 618 F C 0.748 176.542 175.800 -0.010 0.000 1.129 618 F CA -0.837 57.155 58.000 -0.013 0.000 1.154 618 F CB -0.122 38.872 39.000 -0.010 0.000 1.205 618 F HN 0.189 nan 8.300 nan 0.000 0.513 619 T N 0.000 114.782 114.554 0.380 0.000 3.816 619 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 619 T CA 0.000 62.172 62.100 0.120 0.000 1.349 619 T CB 0.000 68.954 68.868 0.143 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658