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 3k4m_1_B 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 AFSWGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME 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 0.000 176.264 176.300 -0.059 0.000 1.140 43 M CA 0.000 55.258 55.300 -0.069 0.000 0.988 43 M CB 0.000 32.328 32.600 -0.453 0.000 1.302 44 D N 3.624 124.008 120.400 -0.027 0.000 2.332 44 D HA 0.453 5.092 4.640 -0.001 0.000 0.252 44 D C 1.330 177.511 176.300 -0.198 0.000 1.050 44 D CA -0.383 53.483 54.000 -0.222 0.000 0.970 44 D CB 1.252 41.752 40.800 -0.499 0.000 1.141 44 D HN 0.664 nan 8.370 nan 0.000 0.485 45 I N -1.036 119.436 120.570 -0.162 0.000 2.208 45 I HA -0.213 3.956 4.170 -0.001 0.000 0.245 45 I C 0.993 177.056 176.117 -0.089 0.000 1.097 45 I CA 1.213 62.463 61.300 -0.083 0.000 1.363 45 I CB -0.325 37.641 38.000 -0.055 0.000 1.051 45 I HN 0.101 nan 8.210 nan 0.000 0.413 46 K N 0.104 120.342 120.400 -0.270 0.000 2.553 46 K HA 0.469 4.788 4.320 -0.001 0.000 0.250 46 K C -1.772 174.574 176.600 -0.423 0.000 0.953 46 K CA -0.454 55.714 56.287 -0.199 0.000 0.800 46 K CB 1.315 33.756 32.500 -0.099 0.000 1.243 46 K HN -0.019 nan 8.250 nan 0.000 0.435 47 Y N 1.617 121.921 120.300 0.005 0.000 2.562 47 Y HA 0.258 4.807 4.550 -0.001 0.000 0.343 47 Y C 0.800 176.692 175.900 -0.013 0.000 1.025 47 Y CA -0.688 57.414 58.100 0.002 0.000 1.082 47 Y CB 1.796 40.259 38.460 0.005 0.000 1.264 47 Y HN 0.657 nan 8.280 nan 0.000 0.478 48 D N 0.423 120.922 120.400 0.164 0.000 2.092 48 D HA -0.063 4.576 4.640 -0.001 0.000 0.193 48 D C -0.238 176.075 176.300 0.022 0.000 0.994 48 D CA 1.655 55.736 54.000 0.135 0.000 0.828 48 D CB 0.086 41.042 40.800 0.259 0.000 0.963 48 D HN 0.120 nan 8.370 nan 0.000 0.450 49 V N 0.905 120.825 119.914 0.010 0.000 2.638 49 V HA 0.319 4.438 4.120 -0.001 0.000 0.306 49 V C -0.319 175.701 176.094 -0.123 0.000 1.052 49 V CA -1.008 61.208 62.300 -0.139 0.000 0.885 49 V CB 2.461 34.186 31.823 -0.164 0.000 0.999 49 V HN -0.002 nan 8.190 nan 0.000 0.424 50 V N 3.298 123.093 119.914 -0.198 0.000 2.435 50 V HA 0.707 4.826 4.120 -0.001 0.000 0.290 50 V C -0.456 175.594 176.094 -0.073 0.000 1.030 50 V CA -0.560 61.689 62.300 -0.085 0.000 0.881 50 V CB 1.635 33.483 31.823 0.041 0.000 0.983 50 V HN 0.674 nan 8.190 nan 0.000 0.445 51 I N 4.383 124.937 120.570 -0.027 0.000 2.389 51 I HA 0.400 4.570 4.170 -0.001 0.000 0.288 51 I C -0.517 175.631 176.117 0.051 0.000 0.999 51 I CA -0.903 60.366 61.300 -0.052 0.000 1.129 51 I CB 2.138 40.097 38.000 -0.068 0.000 1.288 51 I HN 0.414 nan 8.210 nan 0.000 0.444 52 V N 5.695 125.623 119.914 0.024 0.000 2.353 52 V HA 0.683 4.802 4.120 -0.001 0.000 0.264 52 V C 0.579 176.682 176.094 0.015 0.000 1.049 52 V CA -0.122 62.209 62.300 0.051 0.000 0.896 52 V CB 0.324 32.149 31.823 0.004 0.000 1.025 52 V HN 1.076 nan 8.190 nan 0.000 0.475 53 G N 3.829 112.652 108.800 0.039 0.000 3.055 53 G HA2 -0.008 3.952 3.960 -0.001 0.000 0.685 53 G HA3 -0.008 3.952 3.960 -0.001 0.000 0.685 53 G C -0.020 174.896 174.900 0.026 0.000 1.212 53 G CA -0.191 44.921 45.100 0.021 0.000 0.822 53 G HN 1.237 nan 8.290 nan 0.000 0.610 54 S N 1.475 117.191 115.700 0.027 0.000 2.601 54 S HA 0.588 5.057 4.470 -0.001 0.000 0.244 54 S C 1.325 175.934 174.600 0.014 0.000 1.001 54 S CA 0.862 59.085 58.200 0.039 0.000 0.984 54 S CB 0.148 63.379 63.200 0.052 0.000 0.842 54 S HN 1.980 nan 8.310 nan 0.000 0.474 55 G N 2.325 111.123 108.800 -0.004 0.000 2.570 55 G HA2 0.398 4.357 3.960 -0.001 0.000 0.276 55 G HA3 0.398 4.357 3.960 -0.001 0.000 0.276 55 G C -1.358 173.517 174.900 -0.042 0.000 1.346 55 G CA -1.164 43.912 45.100 -0.039 0.000 1.034 55 G HN 0.279 nan 8.290 nan 0.000 0.512 56 P HA -0.013 nan 4.420 nan 0.000 0.222 56 P C 1.714 178.960 177.300 -0.090 0.000 1.153 56 P CA 0.542 63.589 63.100 -0.088 0.000 0.798 56 P CB 0.215 31.863 31.700 -0.087 0.000 0.796 57 I N -0.097 120.451 120.570 -0.038 0.000 2.406 57 I HA -0.006 4.163 4.170 -0.001 0.000 0.249 57 I C 2.556 178.723 176.117 0.084 0.000 1.122 57 I CA 1.334 62.642 61.300 0.013 0.000 1.431 57 I CB -2.172 35.863 38.000 0.059 0.000 1.087 57 I HN -0.014 nan 8.210 nan 0.000 0.424 58 G N 0.101 108.932 108.800 0.052 0.000 2.408 58 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.217 58 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.217 58 G C 1.760 176.671 174.900 0.018 0.000 1.150 58 G CA 0.817 45.949 45.100 0.053 0.000 0.776 58 G HN 0.393 nan 8.290 nan 0.000 0.542 59 C N 0.769 120.055 119.300 -0.023 0.000 2.435 59 C HA 0.005 4.464 4.460 -0.001 0.000 0.279 59 C C 3.197 178.076 174.990 -0.185 0.000 1.321 59 C CA 1.413 60.380 59.018 -0.085 0.000 1.752 59 C CB -0.971 26.765 27.740 -0.007 0.000 1.959 59 C HN 0.441 nan 8.230 nan 0.000 0.500 60 T N 0.003 114.470 114.554 -0.146 0.000 2.720 60 T HA -0.191 4.158 4.350 -0.001 0.000 0.268 60 T C 1.456 176.011 174.700 -0.243 0.000 1.037 60 T CA 1.718 63.700 62.100 -0.197 0.000 1.144 60 T CB -0.419 68.349 68.868 -0.167 0.000 0.864 60 T HN 0.589 nan 8.240 nan 0.000 0.444 61 Y N 1.252 121.414 120.300 -0.230 0.000 2.242 61 Y HA 0.032 4.581 4.550 -0.001 0.000 0.291 61 Y C 2.695 178.384 175.900 -0.351 0.000 1.137 61 Y CA 0.761 58.708 58.100 -0.255 0.000 1.181 61 Y CB -0.537 37.794 38.460 -0.216 0.000 0.989 61 Y HN 0.199 nan 8.280 nan 0.000 0.527 62 A N 0.225 122.859 122.820 -0.309 0.000 1.873 62 A HA -0.211 4.108 4.320 -0.001 0.000 0.215 62 A C 2.265 179.271 177.584 -0.964 0.000 1.186 62 A CA 1.733 53.368 52.037 -0.670 0.000 0.616 62 A CB -0.722 17.688 19.000 -0.983 0.000 0.823 62 A HN 0.417 nan 8.150 nan 0.000 0.442 63 R N -0.438 119.508 120.500 -0.922 0.000 2.091 63 R HA -0.169 4.170 4.340 -0.001 0.000 0.238 63 R C 2.004 178.061 176.300 -0.405 0.000 1.136 63 R CA 1.796 57.495 56.100 -0.669 0.000 0.959 63 R CB -0.219 29.770 30.300 -0.518 0.000 0.856 63 R HN 0.554 nan 8.270 nan 0.000 0.437 64 E N 0.414 120.413 120.200 -0.334 0.000 2.046 64 E HA -0.146 4.204 4.350 -0.001 0.000 0.190 64 E C 2.144 178.654 176.600 -0.150 0.000 0.982 64 E CA 1.116 57.394 56.400 -0.202 0.000 0.800 64 E CB -0.075 29.506 29.700 -0.198 0.000 0.756 64 E HN 0.410 nan 8.360 nan 0.000 0.449 65 L N 0.476 121.582 121.223 -0.194 0.000 2.131 65 L HA -0.074 4.265 4.340 -0.001 0.000 0.206 65 L C 2.530 179.419 176.870 0.031 0.000 1.087 65 L CA 0.319 55.070 54.840 -0.149 0.000 0.767 65 L CB -0.226 41.650 42.059 -0.305 0.000 0.917 65 L HN -0.037 nan 8.230 nan 0.000 0.441 66 V N 0.380 120.236 119.914 -0.097 0.000 2.358 66 V HA -0.187 3.932 4.120 -0.001 0.000 0.246 66 V C 2.596 178.712 176.094 0.037 0.000 1.047 66 V CA 2.029 64.324 62.300 -0.008 0.000 1.035 66 V CB -1.100 30.640 31.823 -0.138 0.000 0.658 66 V HN 0.558 nan 8.190 nan 0.000 0.452 67 G N -0.584 108.203 108.800 -0.023 0.000 2.443 67 G HA2 -0.095 3.864 3.960 -0.001 0.000 0.219 67 G HA3 -0.095 3.864 3.960 -0.001 0.000 0.219 67 G C 1.379 176.294 174.900 0.024 0.000 1.131 67 G CA 0.785 45.883 45.100 -0.005 0.000 0.775 67 G HN 0.629 nan 8.290 nan 0.000 0.547 68 A N -0.395 122.476 122.820 0.084 0.000 2.337 68 A HA 0.508 4.827 4.320 -0.001 0.000 0.227 68 A C 1.829 179.455 177.584 0.069 0.000 1.259 68 A CA 1.078 53.190 52.037 0.124 0.000 0.870 68 A CB -0.416 18.743 19.000 0.264 0.000 0.927 68 A HN 1.498 nan 8.150 nan 0.000 0.497 69 G N -1.961 106.876 108.800 0.062 0.000 2.141 69 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.242 69 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.242 69 G C -0.084 174.787 174.900 -0.049 0.000 0.982 69 G CA 0.198 45.282 45.100 -0.026 0.000 0.662 69 G HN 0.417 nan 8.290 nan 0.000 0.527 70 Y N 0.245 120.568 120.300 0.038 0.000 2.301 70 Y HA 0.486 5.035 4.550 -0.001 0.000 0.328 70 Y C 1.029 176.983 175.900 0.090 0.000 1.242 70 Y CA -0.214 57.918 58.100 0.053 0.000 1.323 70 Y CB 0.852 39.324 38.460 0.020 0.000 1.266 70 Y HN 0.063 nan 8.280 nan 0.000 0.527 71 K N 2.840 123.394 120.400 0.258 0.000 2.263 71 K HA 0.464 4.783 4.320 -0.001 0.000 0.282 71 K C -1.649 175.096 176.600 0.242 0.000 1.089 71 K CA -0.162 56.265 56.287 0.233 0.000 0.907 71 K CB 0.127 32.739 32.500 0.187 0.000 1.148 71 K HN 0.514 nan 8.250 nan 0.000 0.470 72 V N 2.905 122.936 119.914 0.194 0.000 2.555 72 V HA 0.620 4.739 4.120 -0.001 0.000 0.302 72 V C -0.389 175.590 176.094 -0.192 0.000 1.038 72 V CA -0.972 61.371 62.300 0.073 0.000 0.887 72 V CB 1.534 33.448 31.823 0.151 0.000 0.991 72 V HN 0.882 nan 8.190 nan 0.000 0.434 73 A N 5.345 127.908 122.820 -0.428 0.000 2.342 73 A HA 0.898 5.217 4.320 -0.001 0.000 0.323 73 A C -0.684 176.559 177.584 -0.568 0.000 1.125 73 A CA -0.591 50.955 52.037 -0.818 0.000 0.785 73 A CB 1.489 19.626 19.000 -1.438 0.000 1.221 73 A HN 0.904 nan 8.150 nan 0.000 0.463 74 M N 3.095 122.284 119.600 -0.685 0.000 2.190 74 M HA 0.631 5.111 4.480 -0.001 0.000 0.312 74 M C -2.015 174.025 176.300 -0.434 0.000 0.990 74 M CA -0.416 54.683 55.300 -0.335 0.000 0.927 74 M CB 0.589 33.165 32.600 -0.041 0.000 1.571 74 M HN 0.610 nan 8.290 nan 0.000 0.427 75 F N 2.758 122.696 119.950 -0.020 0.000 2.404 75 F HA 0.483 5.009 4.527 -0.001 0.000 0.339 75 F C 0.314 176.111 175.800 -0.006 0.000 1.105 75 F CA -0.254 57.756 58.000 0.017 0.000 1.087 75 F CB 0.927 39.921 39.000 -0.009 0.000 1.143 75 F HN 0.466 nan 8.300 nan 0.000 0.491 76 D N 2.870 123.354 120.400 0.140 0.000 2.879 76 D HA 0.197 4.836 4.640 -0.001 0.000 0.236 76 D C 0.444 176.763 176.300 0.031 0.000 1.171 76 D CA -0.377 53.657 54.000 0.058 0.000 0.868 76 D CB 2.395 43.211 40.800 0.028 0.000 1.598 76 D HN 0.638 nan 8.370 nan 0.000 0.497 77 I N 1.962 122.503 120.570 -0.047 0.000 2.676 77 I HA 0.071 4.241 4.170 -0.001 0.000 0.259 77 I C 1.015 177.081 176.117 -0.084 0.000 1.194 77 I CA 0.702 61.930 61.300 -0.120 0.000 1.473 77 I CB 0.193 38.003 38.000 -0.316 0.000 1.096 77 I HN 0.326 nan 8.210 nan 0.000 0.443 78 G N -0.160 108.611 108.800 -0.049 0.000 2.613 78 G HA2 0.489 4.449 3.960 -0.001 0.000 0.303 78 G HA3 0.489 4.449 3.960 -0.001 0.000 0.303 78 G C -1.032 173.878 174.900 0.017 0.000 1.312 78 G CA -0.461 44.633 45.100 -0.009 0.000 1.036 78 G HN 0.276 nan 8.290 nan 0.000 0.513 79 E N -1.264 118.953 120.200 0.028 0.000 2.320 79 E HA 0.368 4.717 4.350 -0.001 0.000 0.264 79 E C -0.625 175.994 176.600 0.032 0.000 0.923 79 E CA -0.802 55.617 56.400 0.032 0.000 0.796 79 E CB 2.642 32.364 29.700 0.037 0.000 1.262 79 E HN 0.266 nan 8.360 nan 0.000 0.428 80 I N 2.740 123.327 120.570 0.029 0.000 2.494 80 I HA -0.026 4.143 4.170 -0.001 0.000 0.289 80 I C -0.121 176.020 176.117 0.040 0.000 1.106 80 I CA 0.630 61.949 61.300 0.031 0.000 1.369 80 I CB -0.003 38.010 38.000 0.022 0.000 1.410 80 I HN 0.486 nan 8.210 nan 0.000 0.523 81 D N 3.170 123.600 120.400 0.050 0.000 3.078 81 D HA 0.097 4.737 4.640 -0.001 0.000 0.363 81 D C -0.150 176.200 176.300 0.084 0.000 1.391 81 D CA -0.359 53.678 54.000 0.062 0.000 0.754 81 D CB 0.389 41.224 40.800 0.058 0.000 1.238 81 D HN 0.228 nan 8.370 nan 0.000 0.500 82 S N -0.270 115.483 115.700 0.089 0.000 3.093 82 S HA 0.613 5.082 4.470 -0.001 0.000 0.251 82 S C 0.540 175.208 174.600 0.114 0.000 0.905 82 S CA -0.047 58.223 58.200 0.117 0.000 1.124 82 S CB 0.831 64.097 63.200 0.110 0.000 1.124 82 S HN 0.889 nan 8.310 nan 0.000 0.574 83 G N 1.252 110.109 108.800 0.095 0.000 2.698 83 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.225 83 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.225 83 G C 0.187 175.122 174.900 0.058 0.000 1.345 83 G CA -0.343 44.806 45.100 0.082 0.000 0.871 83 G HN 0.301 nan 8.290 nan 0.000 0.540 84 L N -0.080 121.171 121.223 0.047 0.000 2.341 84 L HA 0.158 4.497 4.340 -0.001 0.000 0.214 84 L C 1.560 178.442 176.870 0.019 0.000 1.115 84 L CA 0.794 55.650 54.840 0.027 0.000 0.820 84 L CB -0.287 41.783 42.059 0.018 0.000 0.944 84 L HN 0.342 nan 8.230 nan 0.000 0.452 85 K N 1.987 122.408 120.400 0.034 0.000 2.278 85 K HA 0.248 4.567 4.320 -0.001 0.000 0.289 85 K C -0.231 176.388 176.600 0.033 0.000 1.080 85 K CA -0.066 56.237 56.287 0.027 0.000 0.934 85 K CB 0.384 32.915 32.500 0.051 0.000 1.093 85 K HN 0.102 nan 8.250 nan 0.000 0.459 86 I N 2.294 122.866 120.570 0.004 0.000 2.668 86 I HA -0.079 4.090 4.170 -0.001 0.000 0.285 86 I C 1.376 177.505 176.117 0.019 0.000 1.168 86 I CA 0.700 62.005 61.300 0.008 0.000 1.424 86 I CB 0.268 38.260 38.000 -0.013 0.000 1.377 86 I HN 0.951 nan 8.210 nan 0.000 0.560 87 G N 4.282 113.105 108.800 0.039 0.000 2.160 87 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.251 87 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.251 87 G C 0.292 175.236 174.900 0.073 0.000 1.008 87 G CA 0.106 45.232 45.100 0.044 0.000 0.724 87 G HN 0.967 nan 8.290 nan 0.000 0.514 88 A N -0.593 122.288 122.820 0.102 0.000 2.246 88 A HA 0.667 4.986 4.320 -0.001 0.000 0.291 88 A C 0.527 178.238 177.584 0.211 0.000 1.103 88 A CA -0.373 51.764 52.037 0.166 0.000 0.844 88 A CB 0.342 19.444 19.000 0.170 0.000 1.136 88 A HN 0.603 nan 8.150 nan 0.000 0.500 89 H N 0.438 119.639 119.070 0.219 0.000 2.899 89 H HA 0.114 4.669 4.556 -0.001 0.000 0.303 89 H C 0.701 176.153 175.328 0.208 0.000 1.042 89 H CA 0.630 56.822 56.048 0.240 0.000 1.479 89 H CB 0.827 30.753 29.762 0.274 0.000 1.493 89 H HN 0.648 nan 8.280 nan 0.000 0.534 90 K N 3.548 124.149 120.400 0.336 0.000 2.362 90 K HA -0.125 4.194 4.320 -0.001 0.000 0.200 90 K C 1.687 178.514 176.600 0.378 0.000 1.046 90 K CA 0.730 57.258 56.287 0.401 0.000 0.952 90 K CB 0.353 33.097 32.500 0.407 0.000 0.753 90 K HN 0.414 nan 8.250 nan 0.000 0.466 91 K N 1.062 121.579 120.400 0.196 0.000 2.432 91 K HA -0.006 4.313 4.320 -0.001 0.000 0.196 91 K C 0.459 177.058 176.600 -0.001 0.000 1.038 91 K CA 0.463 56.491 56.287 -0.431 0.000 0.986 91 K CB 0.252 32.085 32.500 -1.111 0.000 0.782 91 K HN -0.016 nan 8.250 nan 0.000 0.485 92 N N 1.960 120.779 118.700 0.199 0.000 2.683 92 N HA -0.036 4.703 4.740 -0.001 0.000 0.256 92 N C -0.757 175.003 175.510 0.417 0.000 1.270 92 N CA 0.456 53.673 53.050 0.278 0.000 0.954 92 N CB 0.381 39.067 38.487 0.333 0.000 1.289 92 N HN 0.272 nan 8.380 nan 0.000 0.508 93 T N -3.980 110.802 114.554 0.380 0.000 2.823 93 T HA 0.300 4.649 4.350 -0.001 0.000 0.279 93 T C 1.560 176.489 174.700 0.382 0.000 0.998 93 T CA -0.799 61.517 62.100 0.360 0.000 0.994 93 T CB 1.753 70.799 68.868 0.295 0.000 0.960 93 T HN -0.169 nan 8.240 nan 0.000 0.448 94 V N 2.223 122.348 119.914 0.351 0.000 2.277 94 V HA -0.232 3.887 4.120 -0.001 0.000 0.255 94 V C 2.774 178.964 176.094 0.161 0.000 1.074 94 V CA 2.665 65.127 62.300 0.269 0.000 1.058 94 V CB -0.978 30.913 31.823 0.113 0.000 0.656 94 V HN 1.064 nan 8.190 nan 0.000 0.449 95 E N -0.904 119.335 120.200 0.064 0.000 2.150 95 E HA -0.189 4.160 4.350 -0.001 0.000 0.193 95 E C 1.964 178.513 176.600 -0.086 0.000 0.985 95 E CA 1.398 57.768 56.400 -0.050 0.000 0.814 95 E CB -0.296 29.314 29.700 -0.150 0.000 0.752 95 E HN 0.693 nan 8.360 nan 0.000 0.466 96 Y N 0.685 121.066 120.300 0.135 0.000 2.337 96 Y HA 0.041 4.591 4.550 -0.001 0.000 0.293 96 Y C 1.913 177.854 175.900 0.068 0.000 1.123 96 Y CA 1.197 59.366 58.100 0.115 0.000 1.201 96 Y CB 0.021 38.544 38.460 0.106 0.000 1.011 96 Y HN 0.152 nan 8.280 nan 0.000 0.545 97 Q N -0.447 119.471 119.800 0.196 0.000 2.444 97 Q HA -0.039 4.301 4.340 -0.001 0.000 0.206 97 Q C 1.412 177.492 176.000 0.132 0.000 0.948 97 Q CA 0.484 56.361 55.803 0.124 0.000 0.946 97 Q CB 0.126 28.885 28.738 0.034 0.000 1.027 97 Q HN 0.399 nan 8.270 nan 0.000 0.513 98 K N 0.246 120.722 120.400 0.127 0.000 2.367 98 K HA 0.111 4.431 4.320 -0.001 0.000 0.194 98 K C 0.263 176.919 176.600 0.094 0.000 1.027 98 K CA 0.226 56.571 56.287 0.097 0.000 1.075 98 K CB 0.640 33.183 32.500 0.071 0.000 0.845 98 K HN 0.076 nan 8.250 nan 0.000 0.529 99 N N 1.230 120.005 118.700 0.124 0.000 2.664 99 N HA 0.057 4.796 4.740 -0.001 0.000 0.287 99 N C 0.148 175.797 175.510 0.232 0.000 1.869 99 N CA 0.057 53.195 53.050 0.146 0.000 0.832 99 N CB 0.950 39.499 38.487 0.102 0.000 1.293 99 N HN 0.063 nan 8.380 nan 0.000 0.498 100 I N 0.178 120.877 120.570 0.215 0.000 2.850 100 I HA -0.160 4.009 4.170 -0.001 0.000 0.266 100 I C 0.605 176.863 176.117 0.236 0.000 1.257 100 I CA 1.378 62.812 61.300 0.222 0.000 1.465 100 I CB 0.303 38.395 38.000 0.154 0.000 1.091 100 I HN 0.119 nan 8.210 nan 0.000 0.467 101 D N 0.712 121.263 120.400 0.252 0.000 2.305 101 D HA -0.085 4.555 4.640 -0.001 0.000 0.206 101 D C 1.846 178.248 176.300 0.170 0.000 0.974 101 D CA 0.277 54.404 54.000 0.211 0.000 0.871 101 D CB 0.115 41.100 40.800 0.308 0.000 0.947 101 D HN 0.224 nan 8.370 nan 0.000 0.516 102 K N 0.747 121.291 120.400 0.240 0.000 2.218 102 K HA -0.158 4.161 4.320 -0.001 0.000 0.205 102 K C 1.727 178.466 176.600 0.231 0.000 1.046 102 K CA 0.283 56.723 56.287 0.255 0.000 0.933 102 K CB -0.687 32.017 32.500 0.340 0.000 0.728 102 K HN 0.233 nan 8.250 nan 0.000 0.454 103 F N 1.019 120.988 119.950 0.032 0.000 2.408 103 F HA -0.135 4.391 4.527 -0.001 0.000 0.300 103 F C 2.004 177.679 175.800 -0.209 0.000 1.090 103 F CA 0.393 58.229 58.000 -0.272 0.000 1.427 103 F CB -0.082 38.720 39.000 -0.329 0.000 1.070 103 F HN -0.210 nan 8.300 nan 0.000 0.549 104 V N 0.542 120.352 119.914 -0.173 0.000 2.626 104 V HA -0.300 3.819 4.120 -0.001 0.000 0.252 104 V C 1.613 177.504 176.094 -0.337 0.000 1.067 104 V CA 2.525 64.661 62.300 -0.273 0.000 1.081 104 V CB -0.610 31.062 31.823 -0.252 0.000 0.686 104 V HN 0.429 nan 8.190 nan 0.000 0.468 105 N N -0.630 117.907 118.700 -0.272 0.000 2.270 105 N HA -0.089 4.650 4.740 -0.001 0.000 0.181 105 N C 1.612 176.938 175.510 -0.307 0.000 1.016 105 N CA 1.290 54.204 53.050 -0.227 0.000 0.870 105 N CB -0.110 38.313 38.487 -0.107 0.000 0.979 105 N HN 0.389 nan 8.380 nan 0.000 0.431 106 V N 1.222 120.832 119.914 -0.507 0.000 2.358 106 V HA -0.180 3.940 4.120 -0.001 0.000 0.246 106 V C 2.034 177.779 176.094 -0.582 0.000 1.047 106 V CA 1.333 63.282 62.300 -0.585 0.000 1.035 106 V CB -0.462 30.757 31.823 -1.006 0.000 0.658 106 V HN 0.291 nan 8.190 nan 0.000 0.452 107 I N -0.241 119.881 120.570 -0.747 0.000 2.099 107 I HA -0.348 3.822 4.170 -0.001 0.000 0.239 107 I C 2.697 178.546 176.117 -0.447 0.000 1.066 107 I CA 1.851 62.753 61.300 -0.663 0.000 1.324 107 I CB -0.459 37.186 38.000 -0.593 0.000 1.037 107 I HN 0.331 nan 8.210 nan 0.000 0.401 108 Q N 0.342 119.936 119.800 -0.344 0.000 2.226 108 Q HA -0.150 4.189 4.340 -0.001 0.000 0.204 108 Q C 2.256 178.147 176.000 -0.182 0.000 0.975 108 Q CA 1.430 57.090 55.803 -0.238 0.000 0.866 108 Q CB -0.370 28.244 28.738 -0.207 0.000 0.915 108 Q HN 0.669 nan 8.270 nan 0.000 0.440 109 G N 1.083 109.769 108.800 -0.189 0.000 2.484 109 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.218 109 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.218 109 G C 0.947 175.794 174.900 -0.088 0.000 1.130 109 G CA 0.639 45.666 45.100 -0.121 0.000 0.784 109 G HN 0.473 nan 8.290 nan 0.000 0.543 110 Q N -0.673 119.060 119.800 -0.112 0.000 2.115 110 Q HA 0.450 4.789 4.340 -0.001 0.000 0.249 110 Q C -0.485 175.504 176.000 -0.017 0.000 0.830 110 Q CA -0.286 55.496 55.803 -0.035 0.000 1.104 110 Q CB 0.130 28.875 28.738 0.011 0.000 1.207 110 Q HN 0.224 nan 8.270 nan 0.000 0.464 111 L N 2.029 123.215 121.223 -0.061 0.000 2.295 111 L HA 0.516 4.856 4.340 -0.001 0.000 0.281 111 L C -0.991 175.876 176.870 -0.005 0.000 1.018 111 L CA -0.858 53.965 54.840 -0.028 0.000 0.841 111 L CB 1.264 43.272 42.059 -0.086 0.000 1.218 111 L HN 0.245 nan 8.230 nan 0.000 0.424 112 M N 2.186 121.810 119.600 0.040 0.000 2.088 112 M HA 0.253 4.732 4.480 -0.001 0.000 0.346 112 M C 0.319 176.654 176.300 0.057 0.000 1.111 112 M CA -0.173 55.158 55.300 0.052 0.000 1.017 112 M CB 1.328 33.983 32.600 0.091 0.000 1.568 112 M HN 0.279 nan 8.290 nan 0.000 0.445 113 S N 1.989 117.710 115.700 0.034 0.000 2.563 113 S HA 0.072 4.541 4.470 -0.001 0.000 0.294 113 S C 1.593 176.225 174.600 0.053 0.000 1.279 113 S CA -0.496 57.724 58.200 0.033 0.000 1.069 113 S CB 0.458 63.666 63.200 0.012 0.000 0.828 113 S HN 0.583 nan 8.310 nan 0.000 0.497 114 V N 2.849 122.806 119.914 0.071 0.000 2.307 114 V HA -0.039 4.080 4.120 -0.001 0.000 0.245 114 V C 1.256 177.348 176.094 -0.003 0.000 1.045 114 V CA 1.566 63.899 62.300 0.054 0.000 1.024 114 V CB -0.110 31.778 31.823 0.108 0.000 0.651 114 V HN 0.792 nan 8.190 nan 0.000 0.449 115 S N -0.551 115.168 115.700 0.032 0.000 2.776 115 S HA 0.491 4.960 4.470 -0.001 0.000 0.284 115 S C -1.062 173.537 174.600 -0.001 0.000 1.160 115 S CA -0.501 57.682 58.200 -0.028 0.000 1.051 115 S CB 1.422 64.562 63.200 -0.101 0.000 1.037 115 S HN 0.020 nan 8.310 nan 0.000 0.485 116 V N 7.972 127.873 119.914 -0.021 0.000 2.333 116 V HA 0.504 4.623 4.120 -0.001 0.000 0.274 116 V C -1.827 174.246 176.094 -0.035 0.000 1.028 116 V CA -1.737 60.549 62.300 -0.023 0.000 0.851 116 V CB 1.091 32.900 31.823 -0.024 0.000 1.000 116 V HN 0.693 nan 8.190 nan 0.000 0.456 117 P HA 0.149 nan 4.420 nan 0.000 0.273 117 P C -0.134 177.136 177.300 -0.051 0.000 1.250 117 P CA -0.118 62.958 63.100 -0.040 0.000 0.793 117 P CB 0.931 32.608 31.700 -0.038 0.000 1.011 118 V N 1.846 121.730 119.914 -0.048 0.000 2.715 118 V HA 0.035 4.154 4.120 -0.001 0.000 0.299 118 V C 1.173 177.206 176.094 -0.101 0.000 1.054 118 V CA -0.063 62.204 62.300 -0.055 0.000 1.077 118 V CB -0.126 31.686 31.823 -0.019 0.000 0.972 118 V HN 0.613 nan 8.190 nan 0.000 0.484 119 N N 2.913 121.545 118.700 -0.113 0.000 2.444 119 N HA 0.117 4.856 4.740 -0.001 0.000 0.271 119 N C 0.506 175.815 175.510 -0.335 0.000 1.069 119 N CA 0.224 53.179 53.050 -0.158 0.000 0.965 119 N CB 1.647 40.078 38.487 -0.094 0.000 1.092 119 N HN 0.854 nan 8.380 nan 0.000 0.476 120 T N 1.080 115.320 114.554 -0.523 0.000 3.228 120 T HA 0.272 4.621 4.350 -0.001 0.000 0.278 120 T C 0.871 175.153 174.700 -0.698 0.000 1.014 120 T CA -0.449 60.920 62.100 -1.218 0.000 0.904 120 T CB -0.398 67.890 68.868 -0.968 0.000 1.110 120 T HN 0.283 nan 8.240 nan 0.000 0.541 121 L N 1.729 122.792 121.223 -0.267 0.000 2.456 121 L HA 0.378 4.717 4.340 -0.001 0.000 0.272 121 L C 0.073 177.008 176.870 0.108 0.000 1.189 121 L CA -0.757 54.044 54.840 -0.066 0.000 0.846 121 L CB 0.807 42.852 42.059 -0.024 0.000 1.111 121 L HN 0.058 nan 8.230 nan 0.000 0.475 122 V N 4.167 124.161 119.914 0.132 0.000 2.383 122 V HA 0.209 4.328 4.120 -0.001 0.000 0.275 122 V C 0.127 176.291 176.094 0.118 0.000 1.036 122 V CA -0.476 61.943 62.300 0.199 0.000 0.889 122 V CB 1.633 33.549 31.823 0.155 0.000 0.985 122 V HN 0.408 nan 8.190 nan 0.000 0.459 123 V N 5.414 125.396 119.914 0.114 0.000 2.334 123 V HA 0.372 4.492 4.120 -0.001 0.000 0.281 123 V C 0.145 176.271 176.094 0.053 0.000 1.016 123 V CA -0.425 61.919 62.300 0.073 0.000 0.832 123 V CB 1.445 33.313 31.823 0.075 0.000 0.999 123 V HN 1.064 nan 8.190 nan 0.000 0.439 124 D N 1.945 122.369 120.400 0.039 0.000 2.535 124 D HA 0.013 4.653 4.640 -0.001 0.000 0.229 124 D C 1.090 177.400 176.300 0.017 0.000 1.238 124 D CA 0.201 54.214 54.000 0.022 0.000 0.824 124 D CB 0.387 41.198 40.800 0.018 0.000 1.045 124 D HN 0.548 nan 8.370 nan 0.000 0.500 125 T N -1.697 112.871 114.554 0.022 0.000 3.215 125 T HA 0.332 4.681 4.350 -0.001 0.000 0.271 125 T C 0.760 175.474 174.700 0.022 0.000 1.012 125 T CA -0.541 61.570 62.100 0.019 0.000 0.899 125 T CB -0.259 68.621 68.868 0.020 0.000 1.089 125 T HN 0.013 nan 8.240 nan 0.000 0.552 126 L N 2.053 123.292 121.223 0.026 0.000 2.499 126 L HA 0.228 4.567 4.340 -0.001 0.000 0.281 126 L C 1.175 178.058 176.870 0.022 0.000 1.234 126 L CA -0.408 54.450 54.840 0.031 0.000 0.839 126 L CB 0.212 42.294 42.059 0.039 0.000 1.104 126 L HN 0.252 nan 8.230 nan 0.000 0.500 127 S N 1.986 117.702 115.700 0.026 0.000 2.558 127 S HA 0.081 4.550 4.470 -0.001 0.000 0.288 127 S C -1.386 173.222 174.600 0.014 0.000 1.318 127 S CA -1.024 57.188 58.200 0.020 0.000 1.056 127 S CB 0.750 63.965 63.200 0.025 0.000 0.853 127 S HN 0.404 nan 8.310 nan 0.000 0.505 128 P HA -0.088 nan 4.420 nan 0.000 0.220 128 P C 1.332 178.632 177.300 0.000 0.000 1.144 128 P CA 1.400 64.497 63.100 -0.005 0.000 0.800 128 P CB -0.183 31.513 31.700 -0.007 0.000 0.772 129 T N -5.886 108.677 114.554 0.015 0.000 3.088 129 T HA 0.110 4.459 4.350 -0.001 0.000 0.259 129 T C 1.027 175.757 174.700 0.051 0.000 1.122 129 T CA 0.052 62.168 62.100 0.026 0.000 1.095 129 T CB -0.485 68.400 68.868 0.029 0.000 0.930 129 T HN -0.113 nan 8.240 nan 0.000 0.508 130 S N 1.125 116.859 115.700 0.057 0.000 2.580 130 S HA 0.343 4.812 4.470 -0.001 0.000 0.274 130 S C -0.633 174.054 174.600 0.145 0.000 1.329 130 S CA -0.998 57.265 58.200 0.106 0.000 1.036 130 S CB 0.253 63.511 63.200 0.097 0.000 0.919 130 S HN 0.595 nan 8.310 nan 0.000 0.515 131 W N 2.869 124.175 121.300 0.010 0.000 2.251 131 W HA 0.217 4.876 4.660 -0.001 0.000 0.327 131 W C 0.282 176.811 176.519 0.017 0.000 1.361 131 W CA 0.328 57.677 57.345 0.007 0.000 1.234 131 W CB 0.257 29.721 29.460 0.007 0.000 1.212 131 W HN 0.500 nan 8.180 nan 0.000 0.557 132 Q N 4.247 123.823 119.800 -0.374 0.000 2.359 132 Q HA 0.590 4.929 4.340 -0.001 0.000 0.274 132 Q C -0.780 174.816 176.000 -0.674 0.000 1.074 132 Q CA -0.914 54.725 55.803 -0.273 0.000 0.810 132 Q CB 1.995 30.615 28.738 -0.197 0.000 1.342 132 Q HN 0.594 nan 8.270 nan 0.000 0.427 133 A N 1.687 124.328 122.820 -0.299 0.000 2.407 133 A HA 0.270 4.589 4.320 -0.001 0.000 0.248 133 A C 0.515 177.925 177.584 -0.291 0.000 1.082 133 A CA 0.009 51.908 52.037 -0.229 0.000 0.785 133 A CB 0.775 19.844 19.000 0.114 0.000 1.020 133 A HN 0.833 nan 8.150 nan 0.000 0.489 134 S N -0.639 114.903 115.700 -0.263 0.000 2.486 134 S HA 0.111 4.580 4.470 -0.001 0.000 0.220 134 S C 0.924 175.411 174.600 -0.188 0.000 1.011 134 S CA 0.962 59.035 58.200 -0.211 0.000 0.921 134 S CB -0.081 63.012 63.200 -0.179 0.000 0.785 134 S HN 1.119 nan 8.310 nan 0.000 0.517 135 T N -1.678 112.799 114.554 -0.128 0.000 2.838 135 T HA 0.616 4.965 4.350 -0.001 0.000 0.292 135 T C -0.994 173.667 174.700 -0.065 0.000 1.113 135 T CA -0.687 61.339 62.100 -0.124 0.000 1.008 135 T CB 0.691 69.582 68.868 0.040 0.000 1.259 135 T HN -0.114 nan 8.240 nan 0.000 0.520 136 F N 2.937 122.976 119.950 0.149 0.000 2.573 136 F HA 0.397 4.923 4.527 -0.001 0.000 0.349 136 F C 0.302 176.167 175.800 0.108 0.000 1.213 136 F CA -2.079 55.978 58.000 0.094 0.000 1.300 136 F CB -0.987 38.037 39.000 0.039 0.000 1.661 136 F HN 0.550 nan 8.300 nan 0.000 0.616 137 F N -0.909 119.152 119.950 0.184 0.000 2.378 137 F HA 0.552 5.079 4.527 -0.001 0.000 0.319 137 F C -0.006 175.870 175.800 0.127 0.000 1.155 137 F CA -1.590 56.492 58.000 0.136 0.000 1.157 137 F CB -0.069 39.000 39.000 0.115 0.000 1.252 137 F HN -0.179 nan 8.300 nan 0.000 0.550 138 V N 4.316 124.307 119.914 0.128 0.000 2.409 138 V HA 0.163 4.283 4.120 -0.001 0.000 0.270 138 V C 0.271 176.322 176.094 -0.072 0.000 1.019 138 V CA 0.003 62.316 62.300 0.022 0.000 1.066 138 V CB -1.413 30.471 31.823 0.101 0.000 1.021 138 V HN 0.870 nan 8.190 nan 0.000 0.476 139 R N 3.635 124.001 120.500 -0.224 0.000 2.808 139 R HA 0.524 4.863 4.340 -0.001 0.000 0.272 139 R C -0.318 175.918 176.300 -0.107 0.000 0.995 139 R CA -1.013 54.961 56.100 -0.210 0.000 0.917 139 R CB 0.941 30.935 30.300 -0.511 0.000 1.217 139 R HN 0.446 nan 8.270 nan 0.000 0.471 140 N N -0.083 118.583 118.700 -0.057 0.000 2.740 140 N HA -0.190 4.549 4.740 -0.001 0.000 0.248 140 N C 0.706 176.198 175.510 -0.029 0.000 1.062 140 N CA 1.602 54.630 53.050 -0.037 0.000 0.704 140 N CB -1.372 37.089 38.487 -0.043 0.000 0.968 140 N HN 1.156 nan 8.380 nan 0.000 0.547 141 G N -1.653 107.136 108.800 -0.019 0.000 2.153 141 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.252 141 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.252 141 G C 0.370 175.260 174.900 -0.016 0.000 0.994 141 G CA 0.947 46.041 45.100 -0.010 0.000 0.698 141 G HN 1.278 nan 8.290 nan 0.000 0.521 142 S N -0.795 114.888 115.700 -0.028 0.000 2.600 142 S HA 0.524 4.994 4.470 -0.001 0.000 0.265 142 S C 0.124 174.710 174.600 -0.024 0.000 1.325 142 S CA -0.116 58.065 58.200 -0.033 0.000 1.002 142 S CB 1.828 64.999 63.200 -0.048 0.000 0.921 142 S HN 0.575 nan 8.310 nan 0.000 0.554 143 N N 1.732 120.412 118.700 -0.033 0.000 2.558 143 N HA 0.359 5.098 4.740 -0.001 0.000 0.242 143 N C -1.808 173.685 175.510 -0.028 0.000 0.979 143 N CA -2.505 50.521 53.050 -0.041 0.000 0.931 143 N CB 1.317 39.754 38.487 -0.083 0.000 1.122 143 N HN 0.359 nan 8.380 nan 0.000 0.508 144 P HA -0.046 nan 4.420 nan 0.000 0.230 144 P C 0.296 177.616 177.300 0.032 0.000 1.158 144 P CA 0.790 63.904 63.100 0.024 0.000 0.769 144 P CB 0.582 32.311 31.700 0.049 0.000 0.807 145 E N -0.157 120.052 120.200 0.015 0.000 2.418 145 E HA -0.100 4.249 4.350 -0.001 0.000 0.197 145 E C 0.882 177.489 176.600 0.011 0.000 1.026 145 E CA 0.629 57.055 56.400 0.042 0.000 0.862 145 E CB -0.089 29.591 29.700 -0.033 0.000 0.799 145 E HN 0.349 nan 8.360 nan 0.000 0.518 146 Q N 1.872 121.653 119.800 -0.033 0.000 2.278 146 Q HA 0.061 4.400 4.340 -0.001 0.000 0.257 146 Q C -0.897 175.105 176.000 0.004 0.000 0.928 146 Q CA -0.368 55.408 55.803 -0.045 0.000 0.932 146 Q CB 1.081 29.774 28.738 -0.076 0.000 1.221 146 Q HN -0.221 nan 8.270 nan 0.000 0.434 147 D N 6.189 126.608 120.400 0.030 0.000 2.344 147 D HA 0.074 4.714 4.640 -0.001 0.000 0.253 147 D C -1.607 174.704 176.300 0.019 0.000 1.255 147 D CA -1.886 52.135 54.000 0.035 0.000 0.894 147 D CB 1.245 42.080 40.800 0.058 0.000 1.067 147 D HN 0.450 nan 8.370 nan 0.000 0.492 148 P HA -0.150 nan 4.420 nan 0.000 0.218 148 P C 1.253 178.555 177.300 0.002 0.000 1.146 148 P CA 0.872 63.968 63.100 -0.007 0.000 0.813 148 P CB 0.257 31.941 31.700 -0.027 0.000 0.778 149 L N -1.516 119.711 121.223 0.007 0.000 2.611 149 L HA 0.165 4.505 4.340 -0.001 0.000 0.229 149 L C 1.469 178.351 176.870 0.020 0.000 1.137 149 L CA 0.242 55.088 54.840 0.010 0.000 0.901 149 L CB -0.294 41.767 42.059 0.004 0.000 1.098 149 L HN -0.149 nan 8.230 nan 0.000 0.456 150 R N -0.045 120.477 120.500 0.035 0.000 2.688 150 R HA 0.203 4.542 4.340 -0.001 0.000 0.396 150 R C -0.446 175.910 176.300 0.092 0.000 1.081 150 R CA -0.276 55.856 56.100 0.054 0.000 1.093 150 R CB 0.374 30.707 30.300 0.055 0.000 1.338 150 R HN 0.047 nan 8.270 nan 0.000 0.613 151 N N 0.580 119.316 118.700 0.059 0.000 2.432 151 N HA 0.353 5.093 4.740 -0.001 0.000 0.292 151 N C -0.715 174.723 175.510 -0.120 0.000 1.193 151 N CA -0.641 52.433 53.050 0.040 0.000 0.878 151 N CB 1.228 39.735 38.487 0.034 0.000 1.252 151 N HN 0.084 nan 8.380 nan 0.000 0.520 152 L N 2.154 123.139 121.223 -0.397 0.000 2.407 152 L HA 0.226 4.565 4.340 -0.001 0.000 0.261 152 L C 1.466 178.161 176.870 -0.292 0.000 1.108 152 L CA -0.315 54.157 54.840 -0.613 0.000 0.995 152 L CB 0.343 41.644 42.059 -1.263 0.000 1.349 152 L HN 0.641 nan 8.230 nan 0.000 0.423 153 S N 0.087 115.705 115.700 -0.136 0.000 2.406 153 S HA -0.092 4.377 4.470 -0.001 0.000 0.228 153 S C 1.882 176.448 174.600 -0.057 0.000 1.020 153 S CA 0.793 58.961 58.200 -0.054 0.000 0.965 153 S CB -0.190 62.988 63.200 -0.035 0.000 0.798 153 S HN 0.633 nan 8.310 nan 0.000 0.488 154 G N 0.863 109.613 108.800 -0.083 0.000 2.598 154 G HA2 0.015 3.974 3.960 -0.001 0.000 0.215 154 G HA3 0.015 3.974 3.960 -0.001 0.000 0.215 154 G C 0.677 175.534 174.900 -0.071 0.000 1.131 154 G CA -0.077 44.978 45.100 -0.073 0.000 0.785 154 G HN 0.396 nan 8.290 nan 0.000 0.539 155 Q N 0.396 120.135 119.800 -0.102 0.000 2.361 155 Q HA 0.496 4.835 4.340 -0.001 0.000 0.276 155 Q C -0.140 175.879 176.000 0.032 0.000 1.022 155 Q CA 0.340 56.111 55.803 -0.054 0.000 0.898 155 Q CB 1.378 30.067 28.738 -0.081 0.000 1.246 155 Q HN 0.273 nan 8.270 nan 0.000 0.410 156 A N 1.825 124.673 122.820 0.047 0.000 2.594 156 A HA 0.694 5.013 4.320 -0.001 0.000 0.295 156 A C -1.002 176.633 177.584 0.085 0.000 1.071 156 A CA -0.584 51.488 52.037 0.058 0.000 0.685 156 A CB 1.333 20.349 19.000 0.026 0.000 1.285 156 A HN 0.466 nan 8.150 nan 0.000 0.405 157 V N -1.641 118.336 119.914 0.105 0.000 2.960 157 V HA 0.960 5.079 4.120 -0.001 0.000 0.315 157 V C -0.396 175.786 176.094 0.146 0.000 1.087 157 V CA -0.521 61.867 62.300 0.146 0.000 0.982 157 V CB 1.652 33.608 31.823 0.223 0.000 1.039 157 V HN 0.887 nan 8.190 nan 0.000 0.437 158 T N 2.796 117.439 114.554 0.148 0.000 2.812 158 T HA 0.606 4.955 4.350 -0.001 0.000 0.282 158 T C -0.379 174.369 174.700 0.080 0.000 0.990 158 T CA -0.467 61.708 62.100 0.124 0.000 0.960 158 T CB 1.271 70.236 68.868 0.162 0.000 0.948 158 T HN 0.781 nan 8.240 nan 0.000 0.438 159 R N 2.441 122.974 120.500 0.054 0.000 2.402 159 R HA 0.600 4.939 4.340 -0.001 0.000 0.290 159 R C -0.630 175.681 176.300 0.018 0.000 1.321 159 R CA -0.535 55.568 56.100 0.005 0.000 1.283 159 R CB 0.775 31.048 30.300 -0.045 0.000 1.111 159 R HN 0.520 nan 8.270 nan 0.000 0.578 160 V N -2.035 117.891 119.914 0.020 0.000 3.159 160 V HA 0.497 4.617 4.120 -0.001 0.000 0.308 160 V C 0.018 176.121 176.094 0.015 0.000 1.190 160 V CA -1.188 61.127 62.300 0.025 0.000 1.037 160 V CB 1.959 33.805 31.823 0.039 0.000 1.060 160 V HN 0.087 nan 8.190 nan 0.000 0.437 161 V N 2.576 122.503 119.914 0.021 0.000 2.493 161 V HA 0.511 4.630 4.120 -0.001 0.000 0.292 161 V C 1.572 177.676 176.094 0.017 0.000 1.016 161 V CA 1.981 64.294 62.300 0.021 0.000 1.097 161 V CB -0.167 31.672 31.823 0.025 0.000 0.947 161 V HN 1.894 nan 8.190 nan 0.000 0.479 162 G N 3.389 112.193 108.800 0.007 0.000 2.231 162 G HA2 0.080 4.040 3.960 -0.001 0.000 0.206 162 G HA3 0.080 4.040 3.960 -0.001 0.000 0.206 162 G C 0.914 175.778 174.900 -0.060 0.000 0.996 162 G CA 0.157 45.249 45.100 -0.013 0.000 0.645 162 G HN 2.064 nan 8.290 nan 0.000 0.498 163 G N 0.127 108.899 108.800 -0.046 0.000 2.552 163 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.265 163 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.265 163 G C 1.118 175.931 174.900 -0.145 0.000 1.234 163 G CA 0.983 46.044 45.100 -0.066 0.000 0.944 163 G HN 1.061 nan 8.290 nan 0.000 0.568 164 M N 1.410 120.878 119.600 -0.219 0.000 2.476 164 M HA -0.002 4.477 4.480 -0.001 0.000 0.262 164 M C 2.728 178.663 176.300 -0.608 0.000 1.079 164 M CA 1.761 56.752 55.300 -0.514 0.000 1.104 164 M CB -0.239 32.186 32.600 -0.291 0.000 1.409 164 M HN 0.803 nan 8.290 nan 0.000 0.467 165 S N -0.154 115.246 115.700 -0.501 0.000 2.537 165 S HA -0.087 4.382 4.470 -0.001 0.000 0.240 165 S C 1.649 176.105 174.600 -0.239 0.000 0.981 165 S CA 1.328 59.128 58.200 -0.668 0.000 0.948 165 S CB -0.972 61.884 63.200 -0.574 0.000 0.759 165 S HN 0.590 nan 8.310 nan 0.000 0.531 166 T N -1.040 113.371 114.554 -0.239 0.000 3.100 166 T HA 0.096 4.445 4.350 -0.001 0.000 0.253 166 T C 1.258 175.776 174.700 -0.304 0.000 1.118 166 T CA 0.691 62.676 62.100 -0.191 0.000 1.058 166 T CB -0.635 68.212 68.868 -0.035 0.000 0.953 166 T HN 0.916 nan 8.240 nan 0.000 0.515 167 H N -1.953 117.030 119.070 -0.145 0.000 3.650 167 H HA 0.203 4.758 4.556 -0.001 0.000 0.260 167 H C 0.478 176.008 175.328 0.336 0.000 1.194 167 H CA -1.065 55.033 56.048 0.085 0.000 1.135 167 H CB -0.469 29.349 29.762 0.092 0.000 1.612 167 H HN 0.454 nan 8.280 nan 0.000 0.703 168 W N 2.598 123.890 121.300 -0.013 0.000 1.979 168 W HA 0.288 4.947 4.660 -0.001 0.000 0.359 168 W C -0.047 176.598 176.519 0.210 0.000 1.354 168 W CA -0.041 57.393 57.345 0.148 0.000 1.359 168 W CB -0.273 29.201 29.460 0.023 0.000 1.248 168 W HN -0.172 nan 8.180 nan 0.000 0.641 169 T N 0.771 115.303 114.554 -0.037 0.000 3.100 169 T HA 0.031 4.380 4.350 -0.001 0.000 0.253 169 T C 1.017 175.338 174.700 -0.632 0.000 1.118 169 T CA 0.919 62.846 62.100 -0.289 0.000 1.058 169 T CB -0.554 68.286 68.868 -0.046 0.000 0.953 169 T HN 0.647 nan 8.240 nan 0.000 0.515 170 C N 1.114 119.622 119.300 -1.319 0.000 4.497 170 C HA -0.140 4.319 4.460 -0.001 0.000 0.268 170 C C 1.195 175.752 174.990 -0.722 0.000 1.343 170 C CA -0.645 57.436 59.018 -1.562 0.000 1.742 170 C CB -2.678 24.662 27.740 -0.667 0.000 1.450 170 C HN 0.759 nan 8.230 nan 0.000 0.733 171 A N 1.211 123.773 122.820 -0.429 0.000 2.444 171 A HA 0.518 4.837 4.320 -0.001 0.000 0.273 171 A C 0.784 178.286 177.584 -0.137 0.000 1.136 171 A CA 1.241 53.168 52.037 -0.183 0.000 0.799 171 A CB 0.132 19.093 19.000 -0.065 0.000 1.081 171 A HN 1.413 nan 8.150 nan 0.000 0.509 172 T N 1.694 116.179 114.554 -0.114 0.000 3.410 172 T HA 0.532 4.881 4.350 -0.001 0.000 0.328 172 T C -2.821 171.823 174.700 -0.094 0.000 1.567 172 T CA -1.510 60.551 62.100 -0.063 0.000 1.626 172 T CB 0.776 69.629 68.868 -0.026 0.000 0.939 172 T HN 0.432 nan 8.240 nan 0.000 0.656 173 P HA 0.404 nan 4.420 nan 0.000 0.282 173 P C -0.246 176.894 177.300 -0.266 0.000 1.249 173 P CA -0.638 62.351 63.100 -0.184 0.000 0.806 173 P CB 1.075 32.642 31.700 -0.221 0.000 0.984 174 R N 1.294 121.550 120.500 -0.407 0.000 2.490 174 R HA 0.332 4.671 4.340 -0.001 0.000 0.280 174 R C 0.077 176.254 176.300 -0.205 0.000 1.077 174 R CA -0.449 55.215 56.100 -0.726 0.000 1.065 174 R CB 0.107 29.864 30.300 -0.906 0.000 1.003 174 R HN 0.369 nan 8.270 nan 0.000 0.470 175 F N 2.631 122.358 119.950 -0.373 0.000 2.495 175 F HA -0.001 4.525 4.527 -0.001 0.000 0.365 175 F C 0.988 176.607 175.800 -0.302 0.000 1.090 175 F CA -1.163 56.645 58.000 -0.319 0.000 1.235 175 F CB 0.020 38.820 39.000 -0.334 0.000 1.119 175 F HN 0.532 nan 8.300 nan 0.000 0.562 176 D N 2.703 123.034 120.400 -0.114 0.000 2.383 176 D HA 0.155 4.795 4.640 -0.001 0.000 0.248 176 D C 1.029 177.236 176.300 -0.155 0.000 1.170 176 D CA -0.533 53.396 54.000 -0.120 0.000 0.977 176 D CB 0.526 41.271 40.800 -0.092 0.000 1.120 176 D HN 0.472 nan 8.370 nan 0.000 0.481 177 R N 0.112 120.544 120.500 -0.115 0.000 2.140 177 R HA -0.238 4.102 4.340 -0.001 0.000 0.250 177 R C 1.959 178.194 176.300 -0.108 0.000 1.150 177 R CA 2.043 58.081 56.100 -0.103 0.000 0.966 177 R CB -0.599 29.678 30.300 -0.038 0.000 0.869 177 R HN 0.789 nan 8.270 nan 0.000 0.445 178 E N 1.241 121.375 120.200 -0.110 0.000 2.338 178 E HA -0.217 4.132 4.350 -0.001 0.000 0.197 178 E C 1.274 177.755 176.600 -0.198 0.000 1.007 178 E CA 1.106 57.447 56.400 -0.098 0.000 0.849 178 E CB 0.052 29.736 29.700 -0.026 0.000 0.774 178 E HN 0.523 nan 8.360 nan 0.000 0.506 179 Q N 0.030 119.622 119.800 -0.347 0.000 2.319 179 Q HA 0.190 4.529 4.340 -0.001 0.000 0.209 179 Q C 0.342 176.196 176.000 -0.242 0.000 0.884 179 Q CA -0.193 55.328 55.803 -0.470 0.000 0.938 179 Q CB 0.716 28.888 28.738 -0.944 0.000 1.098 179 Q HN 0.023 nan 8.270 nan 0.000 0.517 180 R N 2.062 122.476 120.500 -0.144 0.000 2.460 180 R HA 0.304 4.644 4.340 -0.001 0.000 0.303 180 R C -2.543 173.747 176.300 -0.016 0.000 0.968 180 R CA -2.142 53.883 56.100 -0.125 0.000 0.889 180 R CB 1.014 31.066 30.300 -0.414 0.000 1.123 180 R HN -0.124 nan 8.270 nan 0.000 0.455 181 P HA 0.036 nan 4.420 nan 0.000 0.271 181 P C -0.644 176.849 177.300 0.322 0.000 1.218 181 P CA -0.023 63.192 63.100 0.192 0.000 0.780 181 P CB 0.602 32.429 31.700 0.211 0.000 0.901 182 L N 3.004 124.361 121.223 0.223 0.000 2.410 182 L HA 0.134 4.473 4.340 -0.001 0.000 0.273 182 L C 1.701 178.705 176.870 0.223 0.000 1.152 182 L CA -0.043 54.989 54.840 0.321 0.000 0.855 182 L CB 0.110 42.414 42.059 0.407 0.000 1.129 182 L HN 0.349 nan 8.230 nan 0.000 0.463 183 L N 3.559 124.950 121.223 0.279 0.000 2.609 183 L HA 0.224 4.564 4.340 -0.001 0.000 0.230 183 L C -0.296 176.732 176.870 0.263 0.000 1.087 183 L CA 0.168 55.051 54.840 0.072 0.000 0.874 183 L CB 0.754 42.634 42.059 -0.298 0.000 1.114 183 L HN 0.325 nan 8.230 nan 0.000 0.488 184 V N 1.255 121.350 119.914 0.301 0.000 2.482 184 V HA 0.204 4.323 4.120 -0.001 0.000 0.295 184 V C -0.333 175.860 176.094 0.164 0.000 1.026 184 V CA -1.040 61.384 62.300 0.206 0.000 0.856 184 V CB 1.636 33.518 31.823 0.099 0.000 1.001 184 V HN 0.203 nan 8.190 nan 0.000 0.424 185 K N 2.519 122.875 120.400 -0.072 0.000 2.270 185 K HA 0.429 4.748 4.320 -0.001 0.000 0.276 185 K C -0.297 176.252 176.600 -0.084 0.000 1.023 185 K CA -0.451 55.735 56.287 -0.168 0.000 0.955 185 K CB 0.540 32.704 32.500 -0.561 0.000 0.975 185 K HN 0.556 nan 8.250 nan 0.000 0.471 186 D N 0.984 121.366 120.400 -0.031 0.000 2.772 186 D HA -0.150 4.489 4.640 -0.001 0.000 0.233 186 D C -0.873 175.427 176.300 0.001 0.000 1.143 186 D CA 1.458 55.448 54.000 -0.016 0.000 0.700 186 D CB -0.791 39.985 40.800 -0.040 0.000 1.076 186 D HN 0.808 nan 8.370 nan 0.000 0.430 187 D N -1.541 118.873 120.400 0.024 0.000 3.250 187 D HA 0.348 4.987 4.640 -0.001 0.000 0.252 187 D C 1.074 177.407 176.300 0.055 0.000 1.342 187 D CA 0.283 54.302 54.000 0.031 0.000 0.807 187 D CB 0.004 40.817 40.800 0.022 0.000 1.449 187 D HN 0.027 nan 8.370 nan 0.000 0.610 188 A N 1.142 123.996 122.820 0.057 0.000 1.948 188 A HA -0.211 4.108 4.320 -0.001 0.000 0.220 188 A C 1.719 179.348 177.584 0.075 0.000 1.177 188 A CA 1.620 53.701 52.037 0.072 0.000 0.636 188 A CB -0.057 18.978 19.000 0.058 0.000 0.815 188 A HN 0.380 nan 8.150 nan 0.000 0.449 189 D N 0.058 120.492 120.400 0.057 0.000 2.092 189 D HA -0.080 4.559 4.640 -0.001 0.000 0.193 189 D C 2.268 178.606 176.300 0.063 0.000 0.994 189 D CA 1.761 55.794 54.000 0.054 0.000 0.828 189 D CB -0.535 40.289 40.800 0.039 0.000 0.963 189 D HN 0.434 nan 8.370 nan 0.000 0.450 190 A N 0.554 123.408 122.820 0.056 0.000 1.930 190 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 190 A C 1.946 179.574 177.584 0.073 0.000 1.175 190 A CA 1.980 54.047 52.037 0.051 0.000 0.627 190 A CB -0.621 18.400 19.000 0.036 0.000 0.815 190 A HN 0.196 nan 8.150 nan 0.000 0.443 191 D N -0.134 120.331 120.400 0.109 0.000 2.084 191 D HA -0.167 4.473 4.640 -0.001 0.000 0.194 191 D C 1.300 177.753 176.300 0.254 0.000 0.990 191 D CA 1.578 55.687 54.000 0.181 0.000 0.826 191 D CB -0.164 40.769 40.800 0.221 0.000 0.971 191 D HN 0.318 nan 8.370 nan 0.000 0.453 192 D N -0.415 120.105 120.400 0.200 0.000 2.158 192 D HA -0.158 4.481 4.640 -0.001 0.000 0.197 192 D C 1.866 178.270 176.300 0.173 0.000 0.995 192 D CA 1.499 55.613 54.000 0.190 0.000 0.846 192 D CB -0.442 40.428 40.800 0.117 0.000 0.941 192 D HN 0.347 nan 8.370 nan 0.000 0.456 193 A N 0.297 123.186 122.820 0.114 0.000 1.970 193 A HA -0.097 4.222 4.320 -0.001 0.000 0.216 193 A C 2.092 179.710 177.584 0.057 0.000 1.170 193 A CA 1.484 53.568 52.037 0.077 0.000 0.645 193 A CB -0.327 18.701 19.000 0.046 0.000 0.816 193 A HN 0.157 nan 8.150 nan 0.000 0.447 194 E N -0.806 119.413 120.200 0.031 0.000 2.106 194 E HA -0.184 4.166 4.350 -0.001 0.000 0.192 194 E C 1.608 178.139 176.600 -0.115 0.000 0.984 194 E CA 1.374 57.730 56.400 -0.075 0.000 0.806 194 E CB -0.429 29.190 29.700 -0.135 0.000 0.750 194 E HN 0.718 nan 8.360 nan 0.000 0.458 195 W N 0.622 121.885 121.300 -0.062 0.000 2.388 195 W HA -0.048 4.611 4.660 -0.001 0.000 0.294 195 W C 2.033 178.541 176.519 -0.018 0.000 1.212 195 W CA 1.102 58.375 57.345 -0.120 0.000 1.271 195 W CB -0.202 29.223 29.460 -0.059 0.000 1.126 195 W HN 0.239 nan 8.180 nan 0.000 0.535 196 D N 0.014 120.582 120.400 0.279 0.000 2.097 196 D HA -0.201 4.438 4.640 -0.001 0.000 0.197 196 D C 2.137 178.514 176.300 0.127 0.000 0.984 196 D CA 1.433 55.566 54.000 0.221 0.000 0.826 196 D CB -0.181 40.705 40.800 0.143 0.000 0.973 196 D HN -0.080 nan 8.370 nan 0.000 0.460 197 R N -0.415 120.114 120.500 0.048 0.000 2.096 197 R HA -0.110 4.229 4.340 -0.001 0.000 0.240 197 R C 2.451 178.720 176.300 -0.052 0.000 1.139 197 R CA 1.225 57.317 56.100 -0.013 0.000 0.952 197 R CB -0.277 29.994 30.300 -0.049 0.000 0.854 197 R HN 0.285 nan 8.270 nan 0.000 0.436 198 L N -1.012 120.153 121.223 -0.097 0.000 2.044 198 L HA -0.165 4.174 4.340 -0.001 0.000 0.205 198 L C 2.255 179.062 176.870 -0.105 0.000 1.075 198 L CA 1.056 55.780 54.840 -0.192 0.000 0.747 198 L CB -0.534 41.305 42.059 -0.367 0.000 0.903 198 L HN 0.221 nan 8.230 nan 0.000 0.435 199 Y N 0.493 120.797 120.300 0.006 0.000 2.207 199 Y HA -0.243 4.306 4.550 -0.001 0.000 0.287 199 Y C 2.842 178.715 175.900 -0.045 0.000 1.156 199 Y CA 1.561 59.665 58.100 0.006 0.000 1.182 199 Y CB -1.078 37.416 38.460 0.055 0.000 0.979 199 Y HN 0.165 nan 8.280 nan 0.000 0.521 200 T N -0.616 114.008 114.554 0.117 0.000 2.777 200 T HA -0.186 4.164 4.350 -0.001 0.000 0.266 200 T C 1.959 176.629 174.700 -0.051 0.000 1.040 200 T CA 1.573 63.695 62.100 0.037 0.000 1.141 200 T CB -0.146 68.738 68.868 0.026 0.000 0.868 200 T HN 0.204 nan 8.240 nan 0.000 0.444 201 K N 0.872 121.184 120.400 -0.147 0.000 2.148 201 K HA 0.061 4.380 4.320 -0.001 0.000 0.204 201 K C 2.402 178.650 176.600 -0.588 0.000 1.050 201 K CA 0.989 57.063 56.287 -0.354 0.000 0.942 201 K CB -0.217 32.038 32.500 -0.408 0.000 0.724 201 K HN 0.274 nan 8.250 nan 0.000 0.446 202 A N 0.967 123.565 122.820 -0.369 0.000 1.929 202 A HA -0.146 4.173 4.320 -0.001 0.000 0.216 202 A C 1.787 179.365 177.584 -0.010 0.000 1.176 202 A CA 1.441 53.312 52.037 -0.276 0.000 0.628 202 A CB -0.377 18.582 19.000 -0.067 0.000 0.816 202 A HN 0.397 nan 8.150 nan 0.000 0.444 203 E N 0.120 120.357 120.200 0.061 0.000 2.118 203 E HA -0.175 4.174 4.350 -0.001 0.000 0.195 203 E C 2.339 179.020 176.600 0.135 0.000 0.992 203 E CA 1.586 58.069 56.400 0.139 0.000 0.804 203 E CB -0.149 29.603 29.700 0.086 0.000 0.741 203 E HN 0.775 nan 8.360 nan 0.000 0.458 204 S N -0.236 115.498 115.700 0.055 0.000 2.414 204 S HA -0.127 4.342 4.470 -0.001 0.000 0.227 204 S C 1.854 176.590 174.600 0.227 0.000 1.022 204 S CA 0.460 58.725 58.200 0.107 0.000 0.958 204 S CB -0.286 62.957 63.200 0.071 0.000 0.797 204 S HN 0.203 nan 8.310 nan 0.000 0.493 205 Y N 0.641 120.953 120.300 0.021 0.000 2.224 205 Y HA 0.137 4.686 4.550 -0.001 0.000 0.289 205 Y C 1.930 177.863 175.900 0.054 0.000 1.146 205 Y CA -0.080 58.000 58.100 -0.032 0.000 1.182 205 Y CB -1.098 37.258 38.460 -0.173 0.000 0.983 205 Y HN 0.321 nan 8.280 nan 0.000 0.524 206 F N 0.216 120.308 119.950 0.236 0.000 2.710 206 F HA 0.026 4.553 4.527 -0.001 0.000 0.298 206 F C 0.850 176.754 175.800 0.173 0.000 1.137 206 F CA 0.164 58.297 58.000 0.221 0.000 1.444 206 F CB -0.322 38.825 39.000 0.246 0.000 1.111 206 F HN -0.020 nan 8.300 nan 0.000 0.580 207 Q N 0.385 120.367 119.800 0.303 0.000 2.453 207 Q HA -0.197 4.142 4.340 -0.001 0.000 0.294 207 Q C 0.096 176.175 176.000 0.130 0.000 1.295 207 Q CA 0.828 56.734 55.803 0.173 0.000 0.853 207 Q CB -2.763 26.053 28.738 0.129 0.000 1.193 207 Q HN 0.237 nan 8.270 nan 0.000 0.461 208 T N -0.077 114.570 114.554 0.156 0.000 2.934 208 T HA 0.406 4.756 4.350 -0.001 0.000 0.306 208 T C 0.849 175.574 174.700 0.040 0.000 1.042 208 T CA 0.614 62.765 62.100 0.084 0.000 1.145 208 T CB 1.227 70.153 68.868 0.098 0.000 0.982 208 T HN 0.502 nan 8.240 nan 0.000 0.544 209 G N 0.673 109.480 108.800 0.012 0.000 2.727 209 G HA2 0.565 4.524 3.960 -0.001 0.000 0.289 209 G HA3 0.565 4.524 3.960 -0.001 0.000 0.289 209 G C 0.035 174.937 174.900 0.003 0.000 1.418 209 G CA -0.522 44.578 45.100 0.001 0.000 0.818 209 G HN 0.618 nan 8.290 nan 0.000 0.486 210 T N -2.473 112.084 114.554 0.005 0.000 3.288 210 T HA 0.265 4.614 4.350 -0.001 0.000 0.293 210 T C 0.064 174.773 174.700 0.016 0.000 1.008 210 T CA 0.494 62.606 62.100 0.020 0.000 0.929 210 T CB 0.396 69.279 68.868 0.026 0.000 1.152 210 T HN 0.501 nan 8.240 nan 0.000 0.517 211 D N 0.216 120.609 120.400 -0.012 0.000 2.540 211 D HA 0.102 4.741 4.640 -0.001 0.000 0.229 211 D C 1.226 177.466 176.300 -0.100 0.000 1.250 211 D CA -0.180 53.794 54.000 -0.044 0.000 0.817 211 D CB -0.060 40.709 40.800 -0.051 0.000 1.060 211 D HN 0.206 nan 8.370 nan 0.000 0.508 212 Q N -0.500 119.248 119.800 -0.086 0.000 2.435 212 Q HA 0.203 4.543 4.340 -0.001 0.000 0.207 212 Q C 0.072 175.742 176.000 -0.550 0.000 0.956 212 Q CA 0.771 56.405 55.803 -0.283 0.000 0.917 212 Q CB -0.216 28.331 28.738 -0.318 0.000 0.997 212 Q HN 0.295 nan 8.270 nan 0.000 0.497 213 F N -0.043 119.729 119.950 -0.297 0.000 2.764 213 F HA 0.249 4.775 4.527 -0.001 0.000 0.310 213 F C 1.193 176.749 175.800 -0.406 0.000 1.124 213 F CA -0.684 57.102 58.000 -0.358 0.000 1.252 213 F CB 0.300 39.040 39.000 -0.434 0.000 1.010 213 F HN -0.006 nan 8.300 nan 0.000 0.518 214 K N 0.397 120.684 120.400 -0.187 0.000 2.152 214 K HA -0.163 4.156 4.320 -0.001 0.000 0.206 214 K C 0.719 177.201 176.600 -0.197 0.000 1.048 214 K CA 1.827 58.034 56.287 -0.133 0.000 0.933 214 K CB -0.213 32.202 32.500 -0.142 0.000 0.721 214 K HN 0.333 nan 8.250 nan 0.000 0.447 215 E N 1.603 121.588 120.200 -0.359 0.000 2.437 215 E HA 0.055 4.404 4.350 -0.001 0.000 0.195 215 E C -0.748 175.717 176.600 -0.224 0.000 1.029 215 E CA -0.365 55.650 56.400 -0.642 0.000 0.948 215 E CB 0.888 30.061 29.700 -0.878 0.000 1.082 215 E HN 0.243 nan 8.360 nan 0.000 0.456 216 S N 0.610 116.301 115.700 -0.015 0.000 2.499 216 S HA 0.161 4.631 4.470 -0.001 0.000 0.275 216 S C 1.255 175.928 174.600 0.121 0.000 1.257 216 S CA -0.465 57.786 58.200 0.084 0.000 1.050 216 S CB 0.444 63.759 63.200 0.192 0.000 0.937 216 S HN 0.241 nan 8.310 nan 0.000 0.490 217 I N 4.843 125.374 120.570 -0.066 0.000 2.163 217 I HA -0.211 3.958 4.170 -0.001 0.000 0.243 217 I C 2.748 178.682 176.117 -0.306 0.000 1.085 217 I CA 1.412 62.428 61.300 -0.474 0.000 1.347 217 I CB -0.208 37.290 38.000 -0.836 0.000 1.044 217 I HN 0.717 nan 8.210 nan 0.000 0.408 218 R N -0.726 119.689 120.500 -0.143 0.000 2.120 218 R HA -0.214 4.125 4.340 -0.001 0.000 0.234 218 R C 2.317 178.636 176.300 0.032 0.000 1.123 218 R CA 1.503 57.570 56.100 -0.055 0.000 0.975 218 R CB -0.540 29.745 30.300 -0.024 0.000 0.866 218 R HN 0.455 nan 8.270 nan 0.000 0.446 219 H N 1.147 120.230 119.070 0.022 0.000 2.293 219 H HA -0.021 4.535 4.556 -0.001 0.000 0.300 219 H C 1.786 177.179 175.328 0.109 0.000 1.082 219 H CA 1.839 57.923 56.048 0.060 0.000 1.308 219 H CB -0.034 29.791 29.762 0.105 0.000 1.375 219 H HN 0.110 nan 8.280 nan 0.000 0.495 220 N N 0.171 118.993 118.700 0.204 0.000 2.188 220 N HA -0.132 4.607 4.740 -0.001 0.000 0.184 220 N C 2.049 177.710 175.510 0.252 0.000 1.018 220 N CA 1.004 54.220 53.050 0.278 0.000 0.858 220 N CB -0.283 38.563 38.487 0.598 0.000 0.989 220 N HN 0.281 nan 8.380 nan 0.000 0.426 221 L N 1.564 122.948 121.223 0.268 0.000 1.997 221 L HA -0.182 4.157 4.340 -0.001 0.000 0.216 221 L C 2.176 179.106 176.870 0.100 0.000 1.074 221 L CA 1.546 56.538 54.840 0.253 0.000 0.763 221 L CB -0.682 41.469 42.059 0.152 0.000 0.890 221 L HN -0.094 nan 8.230 nan 0.000 0.434 222 V N -1.076 118.842 119.914 0.006 0.000 2.283 222 V HA -0.240 3.879 4.120 -0.001 0.000 0.243 222 V C 2.413 178.430 176.094 -0.130 0.000 1.039 222 V CA 1.470 63.736 62.300 -0.057 0.000 1.016 222 V CB -0.713 31.047 31.823 -0.105 0.000 0.650 222 V HN 0.486 nan 8.190 nan 0.000 0.449 223 L N 1.311 122.418 121.223 -0.193 0.000 1.991 223 L HA -0.271 4.069 4.340 -0.001 0.000 0.221 223 L C 2.315 179.132 176.870 -0.089 0.000 1.079 223 L CA 2.390 57.127 54.840 -0.171 0.000 0.778 223 L CB -1.014 40.935 42.059 -0.184 0.000 0.893 223 L HN 0.360 nan 8.230 nan 0.000 0.437 224 N N -0.322 118.379 118.700 0.000 0.000 2.069 224 N HA -0.237 4.502 4.740 -0.001 0.000 0.191 224 N C 1.828 177.326 175.510 -0.020 0.000 1.031 224 N CA 1.584 54.647 53.050 0.021 0.000 0.852 224 N CB -0.449 38.080 38.487 0.071 0.000 1.018 224 N HN 0.321 nan 8.380 nan 0.000 0.423 225 K N 1.446 121.832 120.400 -0.023 0.000 1.985 225 K HA 0.026 4.345 4.320 -0.001 0.000 0.210 225 K C 2.021 178.572 176.600 -0.080 0.000 1.047 225 K CA 0.969 57.238 56.287 -0.030 0.000 0.932 225 K CB -0.610 31.890 32.500 0.001 0.000 0.716 225 K HN 0.121 nan 8.250 nan 0.000 0.439 226 L N 0.260 121.372 121.223 -0.185 0.000 2.013 226 L HA -0.244 4.095 4.340 -0.001 0.000 0.212 226 L C 2.369 179.054 176.870 -0.308 0.000 1.073 226 L CA 2.004 56.610 54.840 -0.390 0.000 0.753 226 L CB -1.120 40.298 42.059 -1.067 0.000 0.890 226 L HN 0.318 nan 8.230 nan 0.000 0.432 227 T N -0.715 113.707 114.554 -0.220 0.000 2.607 227 T HA -0.307 4.042 4.350 -0.001 0.000 0.267 227 T C 1.784 176.543 174.700 0.098 0.000 1.049 227 T CA 1.986 64.131 62.100 0.075 0.000 1.162 227 T CB -0.261 68.661 68.868 0.090 0.000 0.863 227 T HN 0.413 nan 8.240 nan 0.000 0.424 228 E N 0.572 120.789 120.200 0.030 0.000 2.070 228 E HA -0.226 4.123 4.350 -0.001 0.000 0.197 228 E C 2.232 178.830 176.600 -0.004 0.000 1.004 228 E CA 1.282 57.690 56.400 0.014 0.000 0.805 228 E CB -0.021 29.670 29.700 -0.015 0.000 0.744 228 E HN 0.401 nan 8.360 nan 0.000 0.451 229 E N -0.528 119.648 120.200 -0.040 0.000 2.160 229 E HA -0.183 4.167 4.350 -0.001 0.000 0.195 229 E C 0.851 177.279 176.600 -0.286 0.000 0.991 229 E CA 1.094 57.386 56.400 -0.180 0.000 0.810 229 E CB -0.053 29.494 29.700 -0.255 0.000 0.742 229 E HN 0.505 nan 8.360 nan 0.000 0.466 230 Y N 0.185 120.537 120.300 0.087 0.000 2.720 230 Y HA 0.194 4.743 4.550 -0.001 0.000 0.268 230 Y C 0.576 176.549 175.900 0.121 0.000 1.142 230 Y CA -0.471 57.713 58.100 0.139 0.000 1.193 230 Y CB 0.413 39.045 38.460 0.287 0.000 1.176 230 Y HN -0.284 nan 8.280 nan 0.000 0.542 231 K N 0.790 121.292 120.400 0.169 0.000 2.484 231 K HA 0.117 4.437 4.320 -0.001 0.000 0.280 231 K C 1.200 177.865 176.600 0.108 0.000 1.013 231 K CA 1.342 57.707 56.287 0.129 0.000 1.029 231 K CB 0.205 32.748 32.500 0.072 0.000 0.902 231 K HN 0.693 nan 8.250 nan 0.000 0.481 232 G N 3.311 112.173 108.800 0.103 0.000 2.189 232 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.267 232 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.267 232 G C 0.583 175.538 174.900 0.092 0.000 0.975 232 G CA 0.917 46.065 45.100 0.080 0.000 0.644 232 G HN 0.748 nan 8.290 nan 0.000 0.537 233 Q N -1.667 118.214 119.800 0.135 0.000 2.459 233 Q HA 0.305 4.645 4.340 -0.001 0.000 0.260 233 Q C 1.079 177.147 176.000 0.113 0.000 0.828 233 Q CA 0.147 56.035 55.803 0.141 0.000 0.987 233 Q CB 1.057 29.921 28.738 0.209 0.000 1.216 233 Q HN 0.469 nan 8.270 nan 0.000 0.558 234 R N 0.438 121.011 120.500 0.122 0.000 2.643 234 R HA 0.338 4.677 4.340 -0.001 0.000 0.269 234 R C -1.771 174.518 176.300 -0.018 0.000 1.037 234 R CA -0.714 55.358 56.100 -0.048 0.000 0.894 234 R CB 1.736 31.792 30.300 -0.406 0.000 1.238 234 R HN -0.037 nan 8.270 nan 0.000 0.459 235 D N 1.442 121.763 120.400 -0.132 0.000 2.193 235 D HA 0.405 5.044 4.640 -0.001 0.000 0.249 235 D C -0.692 175.430 176.300 -0.297 0.000 1.034 235 D CA 0.177 54.142 54.000 -0.059 0.000 0.902 235 D CB 1.101 41.888 40.800 -0.022 0.000 1.182 235 D HN 0.135 nan 8.370 nan 0.000 0.436 236 F N 0.469 120.430 119.950 0.019 0.000 2.546 236 F HA 0.373 4.899 4.527 -0.001 0.000 0.320 236 F C 0.555 176.371 175.800 0.027 0.000 1.076 236 F CA -0.649 57.355 58.000 0.006 0.000 0.928 236 F CB 1.884 40.886 39.000 0.003 0.000 1.189 236 F HN 0.215 nan 8.300 nan 0.000 0.465 237 Q N 0.126 120.036 119.800 0.183 0.000 2.707 237 Q HA 0.351 4.691 4.340 -0.001 0.000 0.307 237 Q C -1.569 174.534 176.000 0.172 0.000 0.934 237 Q CA -1.297 54.599 55.803 0.154 0.000 0.753 237 Q CB 1.764 30.557 28.738 0.092 0.000 1.478 237 Q HN 0.617 nan 8.270 nan 0.000 0.458 238 Q N 0.935 120.855 119.800 0.200 0.000 2.332 238 Q HA 0.241 4.580 4.340 -0.001 0.000 0.263 238 Q C -0.570 175.491 176.000 0.102 0.000 0.979 238 Q CA -0.260 55.671 55.803 0.214 0.000 0.885 238 Q CB 0.525 29.353 28.738 0.149 0.000 1.218 238 Q HN 0.593 nan 8.270 nan 0.000 0.405 239 I N 6.935 127.546 120.570 0.068 0.000 2.821 239 I HA -0.081 4.089 4.170 -0.001 0.000 0.294 239 I C -1.985 174.138 176.117 0.010 0.000 1.210 239 I CA -1.179 60.134 61.300 0.022 0.000 1.430 239 I CB 0.145 38.129 38.000 -0.027 0.000 1.356 239 I HN 0.482 nan 8.210 nan 0.000 0.563 240 P HA 0.304 nan 4.420 nan 0.000 0.276 240 P C -0.932 176.349 177.300 -0.032 0.000 1.230 240 P CA -0.030 63.062 63.100 -0.013 0.000 0.776 240 P CB 0.633 32.313 31.700 -0.032 0.000 0.888 241 L N 1.885 123.094 121.223 -0.023 0.000 2.431 241 L HA 0.609 4.948 4.340 -0.001 0.000 0.266 241 L C -0.020 176.823 176.870 -0.045 0.000 0.978 241 L CA -1.193 53.626 54.840 -0.035 0.000 0.822 241 L CB 2.267 44.359 42.059 0.054 0.000 1.310 241 L HN 0.261 nan 8.230 nan 0.000 0.409 242 A N 3.085 125.842 122.820 -0.105 0.000 2.671 242 A HA 0.758 5.077 4.320 -0.001 0.000 0.306 242 A C 0.013 177.595 177.584 -0.003 0.000 1.473 242 A CA 0.118 52.133 52.037 -0.038 0.000 1.155 242 A CB -0.312 18.600 19.000 -0.146 0.000 1.123 242 A HN 0.782 nan 8.150 nan 0.000 0.545 243 A N 2.066 124.852 122.820 -0.056 0.000 2.573 243 A HA 0.674 4.993 4.320 -0.001 0.000 0.299 243 A C -0.447 177.005 177.584 -0.220 0.000 1.060 243 A CA -0.439 51.453 52.037 -0.241 0.000 0.736 243 A CB 0.691 19.365 19.000 -0.543 0.000 1.280 243 A HN 0.592 nan 8.150 nan 0.000 0.401 244 T N 1.730 116.141 114.554 -0.238 0.000 2.792 244 T HA 0.519 4.868 4.350 -0.001 0.000 0.280 244 T C 0.081 174.625 174.700 -0.260 0.000 0.990 244 T CA -0.399 61.587 62.100 -0.190 0.000 0.960 244 T CB 1.186 70.001 68.868 -0.089 0.000 0.939 244 T HN 0.694 nan 8.240 nan 0.000 0.439 245 R N 2.218 122.557 120.500 -0.270 0.000 2.298 245 R HA 0.291 4.630 4.340 -0.001 0.000 0.310 245 R C 0.712 176.923 176.300 -0.148 0.000 1.068 245 R CA -0.507 55.422 56.100 -0.284 0.000 0.957 245 R CB 0.372 30.468 30.300 -0.340 0.000 1.003 245 R HN 0.373 nan 8.270 nan 0.000 0.454 246 R N 1.043 121.510 120.500 -0.055 0.000 2.279 246 R HA 0.157 4.496 4.340 -0.001 0.000 0.195 246 R C -0.071 176.213 176.300 -0.027 0.000 0.905 246 R CA 0.588 56.683 56.100 -0.008 0.000 1.044 246 R CB 0.385 30.725 30.300 0.067 0.000 1.056 246 R HN 0.789 nan 8.270 nan 0.000 0.535 247 S N -1.882 113.804 115.700 -0.023 0.000 2.627 247 S HA 0.315 4.784 4.470 -0.001 0.000 0.268 247 S C -2.749 171.821 174.600 -0.049 0.000 1.130 247 S CA -0.983 57.199 58.200 -0.029 0.000 0.819 247 S CB 1.961 65.160 63.200 -0.002 0.000 1.100 247 S HN -0.260 nan 8.310 nan 0.000 0.465 248 P HA 0.070 nan 4.420 nan 0.000 0.228 248 P C 0.989 178.259 177.300 -0.050 0.000 1.151 248 P CA 1.487 64.541 63.100 -0.076 0.000 0.770 248 P CB -0.208 31.466 31.700 -0.044 0.000 0.786 249 T N -6.688 107.874 114.554 0.013 0.000 3.091 249 T HA 0.295 4.644 4.350 -0.001 0.000 0.277 249 T C -0.198 174.569 174.700 0.113 0.000 0.996 249 T CA -0.301 61.832 62.100 0.054 0.000 0.897 249 T CB -0.433 68.487 68.868 0.086 0.000 1.109 249 T HN -0.124 nan 8.240 nan 0.000 0.534 250 F N 1.440 121.335 119.950 -0.092 0.000 2.573 250 F HA 0.650 5.176 4.527 -0.001 0.000 0.316 250 F C -1.720 173.964 175.800 -0.194 0.000 1.148 250 F CA -1.112 56.834 58.000 -0.090 0.000 0.940 250 F CB 1.972 40.936 39.000 -0.060 0.000 1.214 250 F HN -0.124 nan 8.300 nan 0.000 0.448 251 V N 5.123 124.604 119.914 -0.720 0.000 2.487 251 V HA 0.285 4.404 4.120 -0.001 0.000 0.298 251 V C -0.443 175.107 176.094 -0.907 0.000 1.028 251 V CA -0.849 60.989 62.300 -0.769 0.000 0.860 251 V CB 1.755 32.949 31.823 -1.049 0.000 0.991 251 V HN 0.723 nan 8.190 nan 0.000 0.427 252 E N 4.511 124.436 120.200 -0.458 0.000 1.941 252 E HA 0.141 4.491 4.350 -0.001 0.000 0.275 252 E C -1.043 175.365 176.600 -0.320 0.000 1.113 252 E CA -0.532 55.756 56.400 -0.187 0.000 0.878 252 E CB 0.363 30.094 29.700 0.052 0.000 1.070 252 E HN 0.615 nan 8.360 nan 0.000 0.399 253 W N 2.844 124.040 121.300 -0.173 0.000 2.216 253 W HA 0.099 4.758 4.660 -0.001 0.000 0.326 253 W C 0.758 177.296 176.519 0.032 0.000 1.319 253 W CA -0.442 56.780 57.345 -0.205 0.000 1.213 253 W CB 0.775 29.875 29.460 -0.600 0.000 1.171 253 W HN 0.299 nan 8.180 nan 0.000 0.557 254 S N 1.568 117.457 115.700 0.315 0.000 2.634 254 S HA 0.617 5.087 4.470 -0.001 0.000 0.261 254 S C 0.227 175.254 174.600 0.711 0.000 1.271 254 S CA -0.395 58.065 58.200 0.434 0.000 0.985 254 S CB 1.098 64.554 63.200 0.427 0.000 0.968 254 S HN 0.539 nan 8.310 nan 0.000 0.568 255 S N -0.558 115.509 115.700 0.613 0.000 2.755 255 S HA 0.652 5.121 4.470 -0.001 0.000 0.286 255 S C 0.696 175.491 174.600 0.325 0.000 1.207 255 S CA -0.274 58.225 58.200 0.499 0.000 0.892 255 S CB 0.485 63.901 63.200 0.360 0.000 1.240 255 S HN 0.703 nan 8.310 nan 0.000 0.525 256 A N 1.459 124.365 122.820 0.143 0.000 1.933 256 A HA -0.099 4.220 4.320 -0.001 0.000 0.218 256 A C 1.992 179.621 177.584 0.076 0.000 1.175 256 A CA 1.937 54.015 52.037 0.068 0.000 0.628 256 A CB -1.412 17.598 19.000 0.016 0.000 0.814 256 A HN 0.828 nan 8.150 nan 0.000 0.444 257 N N -0.189 118.564 118.700 0.088 0.000 2.166 257 N HA -0.150 4.589 4.740 -0.001 0.000 0.186 257 N C 1.517 177.054 175.510 0.045 0.000 1.019 257 N CA 2.025 55.102 53.050 0.044 0.000 0.856 257 N CB -0.306 38.216 38.487 0.058 0.000 0.993 257 N HN 0.428 nan 8.380 nan 0.000 0.426 258 T N 0.481 115.110 114.554 0.126 0.000 2.759 258 T HA -0.084 4.265 4.350 -0.001 0.000 0.269 258 T C 2.032 176.774 174.700 0.070 0.000 1.042 258 T CA 1.283 63.462 62.100 0.132 0.000 1.140 258 T CB -0.207 68.813 68.868 0.253 0.000 0.864 258 T HN 0.063 nan 8.240 nan 0.000 0.455 259 V N -0.745 119.200 119.914 0.051 0.000 2.346 259 V HA 0.234 4.353 4.120 -0.001 0.000 0.244 259 V C 0.414 176.490 176.094 -0.031 0.000 1.037 259 V CA 0.860 63.128 62.300 -0.053 0.000 1.029 259 V CB -0.248 31.509 31.823 -0.111 0.000 0.663 259 V HN 0.471 nan 8.190 nan 0.000 0.454 260 F N 0.848 120.683 119.950 -0.193 0.000 2.604 260 F HA 0.386 4.912 4.527 -0.001 0.000 0.316 260 F C 0.159 175.843 175.800 -0.193 0.000 1.136 260 F CA -1.624 56.230 58.000 -0.244 0.000 0.989 260 F CB 1.509 40.313 39.000 -0.326 0.000 1.258 260 F HN 0.151 nan 8.300 nan 0.000 0.451 261 D N 4.710 124.661 120.400 -0.749 0.000 2.363 261 D HA -0.022 4.618 4.640 -0.001 0.000 0.220 261 D C 1.142 177.171 176.300 -0.451 0.000 0.994 261 D CA 0.963 54.687 54.000 -0.462 0.000 0.890 261 D CB -0.031 40.542 40.800 -0.377 0.000 0.906 261 D HN 0.685 nan 8.370 nan 0.000 0.530 262 L N -1.685 119.093 121.223 -0.741 0.000 4.496 262 L HA -0.237 4.102 4.340 -0.001 0.000 0.419 262 L C -0.152 176.637 176.870 -0.135 0.000 1.139 262 L CA 0.412 55.057 54.840 -0.324 0.000 0.975 262 L CB -1.345 40.682 42.059 -0.053 0.000 2.099 262 L HN 0.226 nan 8.230 nan 0.000 0.818 263 Q N 0.622 120.253 119.800 -0.282 0.000 2.340 263 Q HA 0.243 4.582 4.340 -0.001 0.000 0.249 263 Q C 0.358 176.401 176.000 0.071 0.000 0.957 263 Q CA -0.113 55.628 55.803 -0.104 0.000 0.882 263 Q CB 0.684 29.334 28.738 -0.146 0.000 1.235 263 Q HN 0.115 nan 8.270 nan 0.000 0.439 264 N N 1.635 120.386 118.700 0.085 0.000 2.513 264 N HA 0.149 4.888 4.740 -0.001 0.000 0.268 264 N C -0.434 175.145 175.510 0.114 0.000 1.180 264 N CA 0.232 53.352 53.050 0.116 0.000 0.948 264 N CB 0.640 39.109 38.487 -0.030 0.000 1.083 264 N HN 0.227 nan 8.380 nan 0.000 0.455 265 R N 1.613 122.221 120.500 0.180 0.000 2.750 265 R HA 0.500 4.839 4.340 -0.001 0.000 0.281 265 R C -2.445 173.947 176.300 0.153 0.000 0.972 265 R CA -1.705 54.487 56.100 0.153 0.000 0.912 265 R CB 1.801 32.220 30.300 0.198 0.000 1.187 265 R HN 0.399 nan 8.270 nan 0.000 0.464 266 P HA 0.053 nan 4.420 nan 0.000 0.271 266 P C -1.391 175.957 177.300 0.080 0.000 1.216 266 P CA -0.145 63.039 63.100 0.141 0.000 0.776 266 P CB 0.599 32.425 31.700 0.210 0.000 0.881 267 N N -0.639 118.093 118.700 0.052 0.000 2.610 267 N HA 0.232 4.972 4.740 -0.001 0.000 0.264 267 N C 0.625 176.141 175.510 0.010 0.000 1.348 267 N CA -0.809 52.255 53.050 0.023 0.000 0.819 267 N CB -0.280 38.210 38.487 0.005 0.000 1.521 267 N HN 0.022 nan 8.380 nan 0.000 0.497 268 T N -0.902 113.654 114.554 0.002 0.000 2.653 268 T HA -0.178 4.172 4.350 -0.001 0.000 0.268 268 T C 0.489 175.181 174.700 -0.013 0.000 1.035 268 T CA 1.801 63.898 62.100 -0.004 0.000 1.154 268 T CB -0.469 68.395 68.868 -0.008 0.000 0.862 268 T HN 0.579 nan 8.240 nan 0.000 0.441 269 D N 0.862 121.249 120.400 -0.021 0.000 2.363 269 D HA 0.244 4.884 4.640 -0.001 0.000 0.220 269 D C 0.560 176.841 176.300 -0.031 0.000 0.994 269 D CA 0.368 54.350 54.000 -0.030 0.000 0.890 269 D CB 0.175 40.951 40.800 -0.040 0.000 0.906 269 D HN 0.397 nan 8.370 nan 0.000 0.530 270 A N 0.994 123.800 122.820 -0.022 0.000 3.200 270 A HA 0.256 4.575 4.320 -0.001 0.000 0.274 270 A C -2.079 175.497 177.584 -0.013 0.000 1.220 270 A CA -0.707 51.317 52.037 -0.022 0.000 0.904 270 A CB 0.816 19.808 19.000 -0.014 0.000 1.415 270 A HN -0.166 nan 8.150 nan 0.000 0.630 271 P HA -0.090 nan 4.420 nan 0.000 0.221 271 P C 0.497 177.758 177.300 -0.065 0.000 1.150 271 P CA 1.236 64.329 63.100 -0.010 0.000 0.800 271 P CB 0.367 32.053 31.700 -0.022 0.000 0.787 272 E N 0.014 120.084 120.200 -0.216 0.000 2.451 272 E HA 0.154 4.503 4.350 -0.001 0.000 0.194 272 E C 0.209 176.586 176.600 -0.371 0.000 1.027 272 E CA 0.120 56.161 56.400 -0.600 0.000 0.914 272 E CB 0.418 29.772 29.700 -0.577 0.000 1.054 272 E HN 0.503 nan 8.360 nan 0.000 0.461 273 E N 0.936 121.107 120.200 -0.050 0.000 2.249 273 E HA 0.517 4.866 4.350 -0.001 0.000 0.263 273 E C -0.326 176.410 176.600 0.226 0.000 0.950 273 E CA -0.722 55.728 56.400 0.083 0.000 0.827 273 E CB 1.621 31.373 29.700 0.086 0.000 1.220 273 E HN -0.114 nan 8.360 nan 0.000 0.411 274 R N 1.644 122.298 120.500 0.258 0.000 2.483 274 R HA 0.474 4.814 4.340 -0.001 0.000 0.303 274 R C -1.544 174.936 176.300 0.301 0.000 0.987 274 R CA -0.546 55.716 56.100 0.271 0.000 0.881 274 R CB 1.131 31.591 30.300 0.267 0.000 1.177 274 R HN 0.427 nan 8.270 nan 0.000 0.451 275 F N 1.948 121.951 119.950 0.089 0.000 2.635 275 F HA 0.456 4.982 4.527 -0.001 0.000 0.314 275 F C -1.800 173.970 175.800 -0.050 0.000 1.119 275 F CA -0.546 57.478 58.000 0.041 0.000 1.000 275 F CB 2.192 41.278 39.000 0.143 0.000 1.278 275 F HN 0.424 nan 8.300 nan 0.000 0.446 276 N N 4.303 122.312 118.700 -1.151 0.000 2.310 276 N HA 0.619 5.359 4.740 -0.001 0.000 0.292 276 N C -2.199 172.316 175.510 -1.657 0.000 1.049 276 N CA -0.633 51.743 53.050 -1.124 0.000 0.849 276 N CB 2.410 40.438 38.487 -0.764 0.000 1.532 276 N HN 0.604 nan 8.380 nan 0.000 0.479 277 L N 2.627 123.079 121.223 -1.284 0.000 2.322 277 L HA 0.679 5.018 4.340 -0.001 0.000 0.281 277 L C -1.770 174.524 176.870 -0.961 0.000 1.014 277 L CA -0.362 53.937 54.840 -0.902 0.000 0.815 277 L CB 0.440 42.344 42.059 -0.259 0.000 1.247 277 L HN 0.456 nan 8.230 nan 0.000 0.421 278 F N 6.159 125.866 119.950 -0.404 0.000 2.434 278 F HA 0.569 5.096 4.527 -0.001 0.000 0.367 278 F C -2.187 173.549 175.800 -0.108 0.000 1.093 278 F CA -1.997 55.843 58.000 -0.266 0.000 1.085 278 F CB 0.921 39.702 39.000 -0.364 0.000 1.322 278 F HN 0.398 nan 8.300 nan 0.000 0.452 279 P HA 0.328 nan 4.420 nan 0.000 0.276 279 P C -0.161 177.193 177.300 0.090 0.000 1.261 279 P CA -0.200 62.937 63.100 0.061 0.000 0.800 279 P CB 1.009 32.725 31.700 0.028 0.000 1.066 280 A N -0.857 121.999 122.820 0.060 0.000 2.739 280 A HA -0.089 4.230 4.320 -0.001 0.000 0.296 280 A C -0.142 177.473 177.584 0.051 0.000 1.488 280 A CA 0.654 52.719 52.037 0.048 0.000 0.746 280 A CB -2.380 16.648 19.000 0.047 0.000 1.047 280 A HN 0.240 nan 8.150 nan 0.000 0.477 281 V N -0.146 119.810 119.914 0.070 0.000 2.445 281 V HA 0.614 4.734 4.120 -0.001 0.000 0.283 281 V C 0.630 176.740 176.094 0.025 0.000 1.014 281 V CA -0.371 61.978 62.300 0.082 0.000 0.852 281 V CB 1.364 33.334 31.823 0.245 0.000 1.021 281 V HN 1.612 nan 8.190 nan 0.000 0.435 282 A N 4.045 126.852 122.820 -0.023 0.000 2.473 282 A HA 0.288 4.607 4.320 -0.001 0.000 0.282 282 A C 0.391 177.962 177.584 -0.021 0.000 1.163 282 A CA 0.018 52.032 52.037 -0.038 0.000 0.827 282 A CB -0.475 18.560 19.000 0.059 0.000 1.098 282 A HN 0.863 nan 8.150 nan 0.000 0.515 283 C N 3.157 122.419 119.300 -0.063 0.000 2.482 283 C HA 0.281 4.740 4.460 -0.001 0.000 0.378 283 C C 1.401 176.370 174.990 -0.034 0.000 1.284 283 C CA -0.168 58.804 59.018 -0.078 0.000 1.826 283 C CB -0.618 27.067 27.740 -0.092 0.000 2.473 283 C HN 1.001 nan 8.230 nan 0.000 0.562 284 E N 0.820 121.033 120.200 0.021 0.000 2.367 284 E HA 0.160 4.509 4.350 -0.001 0.000 0.204 284 E C 0.278 176.894 176.600 0.027 0.000 0.840 284 E CA 0.288 56.725 56.400 0.061 0.000 1.051 284 E CB 0.565 30.377 29.700 0.186 0.000 1.051 284 E HN 0.621 nan 8.360 nan 0.000 0.509 285 R N 0.540 121.066 120.500 0.044 0.000 2.629 285 R HA 0.279 4.618 4.340 -0.001 0.000 0.266 285 R C -1.292 175.002 176.300 -0.010 0.000 1.051 285 R CA -0.559 55.538 56.100 -0.005 0.000 0.895 285 R CB 2.445 32.719 30.300 -0.044 0.000 1.246 285 R HN -0.086 nan 8.270 nan 0.000 0.459 286 V N -0.081 119.804 119.914 -0.048 0.000 2.439 286 V HA 0.543 4.662 4.120 -0.001 0.000 0.282 286 V C 0.082 176.132 176.094 -0.074 0.000 1.039 286 V CA -0.801 61.437 62.300 -0.104 0.000 0.913 286 V CB 1.568 33.287 31.823 -0.173 0.000 0.983 286 V HN 0.406 nan 8.190 nan 0.000 0.460 287 V N 5.498 125.357 119.914 -0.092 0.000 2.408 287 V HA 0.392 4.511 4.120 -0.001 0.000 0.267 287 V C 0.789 176.865 176.094 -0.029 0.000 1.047 287 V CA -0.426 61.842 62.300 -0.054 0.000 0.937 287 V CB 0.250 32.051 31.823 -0.037 0.000 0.999 287 V HN 0.918 nan 8.190 nan 0.000 0.472 288 R N 4.050 124.555 120.500 0.009 0.000 2.438 288 R HA 0.210 4.549 4.340 -0.001 0.000 0.287 288 R C 0.536 176.870 176.300 0.058 0.000 1.077 288 R CA -0.461 55.702 56.100 0.104 0.000 1.034 288 R CB 0.477 30.815 30.300 0.064 0.000 0.993 288 R HN 0.902 nan 8.270 nan 0.000 0.459 289 N N 2.019 120.763 118.700 0.073 0.000 2.371 289 N HA -0.050 4.689 4.740 -0.001 0.000 0.243 289 N C 0.660 176.161 175.510 -0.015 0.000 1.287 289 N CA 0.362 53.422 53.050 0.016 0.000 0.911 289 N CB 0.475 38.966 38.487 0.006 0.000 1.142 289 N HN 0.570 nan 8.380 nan 0.000 0.451 290 A N 0.813 123.617 122.820 -0.026 0.000 1.986 290 A HA -0.117 4.202 4.320 -0.001 0.000 0.220 290 A C 2.172 179.722 177.584 -0.057 0.000 1.171 290 A CA 1.134 53.149 52.037 -0.037 0.000 0.640 290 A CB -0.815 18.168 19.000 -0.029 0.000 0.811 290 A HN 0.672 nan 8.150 nan 0.000 0.451 291 L N -0.973 120.205 121.223 -0.075 0.000 2.554 291 L HA -0.013 4.326 4.340 -0.001 0.000 0.226 291 L C -0.003 176.759 176.870 -0.179 0.000 1.137 291 L CA -0.025 54.751 54.840 -0.106 0.000 0.863 291 L CB -0.407 41.590 42.059 -0.103 0.000 0.985 291 L HN 0.400 nan 8.230 nan 0.000 0.451 292 N N 0.232 118.806 118.700 -0.210 0.000 2.725 292 N HA -0.178 4.562 4.740 -0.001 0.000 0.251 292 N C 0.732 175.648 175.510 -0.989 0.000 1.031 292 N CA 1.066 53.863 53.050 -0.421 0.000 0.720 292 N CB -1.264 37.120 38.487 -0.171 0.000 0.930 292 N HN 0.533 nan 8.380 nan 0.000 0.543 293 S N -2.116 113.095 115.700 -0.814 0.000 2.787 293 S HA 0.296 4.766 4.470 -0.001 0.000 0.255 293 S C 0.142 174.514 174.600 -0.380 0.000 1.051 293 S CA -0.269 57.527 58.200 -0.673 0.000 1.124 293 S CB 1.591 64.627 63.200 -0.273 0.000 1.104 293 S HN 0.372 nan 8.310 nan 0.000 0.623 294 E N 0.392 120.504 120.200 -0.147 0.000 2.400 294 E HA 0.352 4.701 4.350 -0.001 0.000 0.285 294 E C -1.864 174.922 176.600 0.309 0.000 1.005 294 E CA -0.707 55.812 56.400 0.198 0.000 0.816 294 E CB 1.245 31.011 29.700 0.109 0.000 1.220 294 E HN 0.110 nan 8.360 nan 0.000 0.426 295 I N 3.451 124.155 120.570 0.224 0.000 2.385 295 I HA 0.164 4.334 4.170 -0.001 0.000 0.294 295 I C 0.979 177.035 176.117 -0.102 0.000 0.988 295 I CA 0.058 61.327 61.300 -0.053 0.000 1.265 295 I CB 1.399 39.139 38.000 -0.434 0.000 1.388 295 I HN 0.685 nan 8.210 nan 0.000 0.480 296 E N 3.021 123.166 120.200 -0.091 0.000 2.290 296 E HA 0.089 4.439 4.350 -0.001 0.000 0.197 296 E C 0.262 176.900 176.600 0.063 0.000 0.948 296 E CA 0.434 56.848 56.400 0.024 0.000 0.895 296 E CB 0.677 30.397 29.700 0.033 0.000 0.865 296 E HN 0.724 nan 8.360 nan 0.000 0.486 297 S N -0.364 115.317 115.700 -0.031 0.000 2.643 297 S HA 0.569 5.038 4.470 -0.001 0.000 0.270 297 S C -1.282 173.315 174.600 -0.004 0.000 1.166 297 S CA -1.023 57.229 58.200 0.086 0.000 0.815 297 S CB 1.623 64.879 63.200 0.094 0.000 1.139 297 S HN 0.023 nan 8.310 nan 0.000 0.472 298 L N 1.576 122.888 121.223 0.148 0.000 2.333 298 L HA 0.674 5.013 4.340 -0.001 0.000 0.280 298 L C -0.864 176.017 176.870 0.019 0.000 1.004 298 L CA -0.234 54.644 54.840 0.064 0.000 0.820 298 L CB 1.468 43.590 42.059 0.106 0.000 1.247 298 L HN 1.008 nan 8.230 nan 0.000 0.416 299 H N 5.254 124.280 119.070 -0.075 0.000 2.517 299 H HA 0.654 5.209 4.556 -0.001 0.000 0.317 299 H C -0.504 174.772 175.328 -0.088 0.000 1.080 299 H CA -0.404 55.605 56.048 -0.064 0.000 1.301 299 H CB 0.877 30.607 29.762 -0.053 0.000 1.425 299 H HN 0.686 nan 8.280 nan 0.000 0.471 300 I N 1.544 121.808 120.570 -0.510 0.000 3.067 300 I HA 0.458 4.627 4.170 -0.001 0.000 0.312 300 I C -1.202 174.786 176.117 -0.214 0.000 1.073 300 I CA -1.042 60.070 61.300 -0.314 0.000 1.016 300 I CB 2.606 40.399 38.000 -0.344 0.000 1.227 300 I HN 0.733 nan 8.210 nan 0.000 0.456 301 H N 1.569 120.561 119.070 -0.128 0.000 3.239 301 H HA 0.235 4.791 4.556 -0.001 0.000 0.320 301 H C -1.543 173.817 175.328 0.053 0.000 1.074 301 H CA -0.633 55.390 56.048 -0.041 0.000 1.553 301 H CB 1.297 31.053 29.762 -0.010 0.000 1.752 301 H HN 0.843 nan 8.280 nan 0.000 0.513 302 D N 4.847 125.350 120.400 0.172 0.000 2.368 302 D HA -0.013 4.626 4.640 -0.001 0.000 0.268 302 D C 1.191 177.408 176.300 -0.138 0.000 1.298 302 D CA 0.075 54.127 54.000 0.087 0.000 0.938 302 D CB 0.823 41.789 40.800 0.277 0.000 1.101 302 D HN 0.600 nan 8.370 nan 0.000 0.509 303 L N 4.255 125.352 121.223 -0.211 0.000 2.275 303 L HA -0.110 4.229 4.340 -0.001 0.000 0.215 303 L C 1.828 178.650 176.870 -0.081 0.000 1.119 303 L CA 0.364 55.055 54.840 -0.249 0.000 0.790 303 L CB -0.198 41.796 42.059 -0.108 0.000 0.919 303 L HN 0.645 nan 8.230 nan 0.000 0.443 304 I N -0.830 119.732 120.570 -0.013 0.000 2.385 304 I HA -0.149 4.020 4.170 -0.001 0.000 0.244 304 I C 2.749 178.891 176.117 0.041 0.000 1.089 304 I CA 1.486 62.799 61.300 0.022 0.000 1.410 304 I CB -0.741 37.282 38.000 0.039 0.000 1.117 304 I HN 0.313 nan 8.210 nan 0.000 0.429 305 S N 0.665 116.407 115.700 0.070 0.000 2.387 305 S HA -0.003 4.466 4.470 -0.001 0.000 0.226 305 S C 1.834 176.484 174.600 0.085 0.000 1.026 305 S CA 1.141 59.395 58.200 0.090 0.000 0.972 305 S CB -0.063 63.225 63.200 0.146 0.000 0.814 305 S HN 0.611 nan 8.310 nan 0.000 0.477 306 G N 0.792 109.648 108.800 0.094 0.000 2.175 306 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.244 306 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.244 306 G C -0.465 174.559 174.900 0.207 0.000 0.982 306 G CA 0.129 45.340 45.100 0.184 0.000 0.641 306 G HN 0.570 nan 8.290 nan 0.000 0.527 307 D N 0.534 120.993 120.400 0.098 0.000 2.264 307 D HA 0.501 5.140 4.640 -0.001 0.000 0.249 307 D C 0.876 177.031 176.300 -0.243 0.000 1.070 307 D CA -0.113 53.769 54.000 -0.197 0.000 0.912 307 D CB 0.685 41.185 40.800 -0.501 0.000 1.193 307 D HN 0.330 nan 8.370 nan 0.000 0.427 308 R N 1.328 121.557 120.500 -0.451 0.000 2.428 308 R HA 0.572 4.911 4.340 -0.001 0.000 0.294 308 R C -0.595 175.268 176.300 -0.729 0.000 1.000 308 R CA -0.503 55.333 56.100 -0.440 0.000 0.960 308 R CB 0.952 31.096 30.300 -0.260 0.000 1.076 308 R HN 0.299 nan 8.270 nan 0.000 0.475 309 F N -0.102 119.685 119.950 -0.272 0.000 2.629 309 F HA 0.346 4.872 4.527 -0.001 0.000 0.316 309 F C 0.289 175.942 175.800 -0.246 0.000 1.081 309 F CA -1.031 56.858 58.000 -0.186 0.000 0.954 309 F CB 1.796 40.709 39.000 -0.144 0.000 1.337 309 F HN 0.189 nan 8.300 nan 0.000 0.474 310 E N 2.105 122.367 120.200 0.104 0.000 2.195 310 E HA 0.536 4.885 4.350 -0.001 0.000 0.271 310 E C -1.070 175.570 176.600 0.067 0.000 0.923 310 E CA -0.561 55.881 56.400 0.071 0.000 0.790 310 E CB 2.677 32.445 29.700 0.113 0.000 1.155 310 E HN 0.273 nan 8.360 nan 0.000 0.402 311 I N 1.601 122.200 120.570 0.049 0.000 2.545 311 I HA 0.331 4.500 4.170 -0.001 0.000 0.292 311 I C 0.218 176.445 176.117 0.183 0.000 1.040 311 I CA -0.764 60.593 61.300 0.096 0.000 1.068 311 I CB 1.633 39.657 38.000 0.042 0.000 1.251 311 I HN 0.185 nan 8.210 nan 0.000 0.424 312 K N 3.593 124.099 120.400 0.178 0.000 2.123 312 K HA 0.876 5.196 4.320 -0.001 0.000 0.259 312 K C -1.023 175.655 176.600 0.130 0.000 0.960 312 K CA -0.371 56.031 56.287 0.193 0.000 0.872 312 K CB 2.530 35.109 32.500 0.133 0.000 1.079 312 K HN 0.876 nan 8.250 nan 0.000 0.440 313 A N 2.260 125.094 122.820 0.024 0.000 2.612 313 A HA 0.279 4.599 4.320 -0.001 0.000 0.293 313 A C -0.366 177.119 177.584 -0.164 0.000 1.075 313 A CA -0.640 51.292 52.037 -0.176 0.000 0.680 313 A CB 0.995 19.704 19.000 -0.484 0.000 1.279 313 A HN 0.740 nan 8.150 nan 0.000 0.411 314 D N -0.376 119.967 120.400 -0.095 0.000 2.123 314 D HA 0.070 4.710 4.640 -0.001 0.000 0.200 314 D C 0.510 176.717 176.300 -0.155 0.000 0.976 314 D CA 1.782 55.786 54.000 0.008 0.000 0.831 314 D CB 0.099 40.953 40.800 0.090 0.000 0.974 314 D HN 0.261 nan 8.370 nan 0.000 0.469 315 V N 0.525 120.202 119.914 -0.395 0.000 2.604 315 V HA 0.298 4.417 4.120 -0.001 0.000 0.305 315 V C -1.203 174.630 176.094 -0.435 0.000 1.043 315 V CA -0.856 61.197 62.300 -0.412 0.000 0.888 315 V CB 1.808 33.278 31.823 -0.589 0.000 0.995 315 V HN -0.042 nan 8.190 nan 0.000 0.429 316 Y N 2.491 122.774 120.300 -0.029 0.000 2.331 316 Y HA 0.685 5.234 4.550 -0.001 0.000 0.334 316 Y C -0.198 175.667 175.900 -0.058 0.000 0.960 316 Y CA -0.891 57.184 58.100 -0.042 0.000 1.130 316 Y CB 2.174 40.610 38.460 -0.040 0.000 1.164 316 Y HN 0.347 nan 8.280 nan 0.000 0.458 317 V N 5.567 125.451 119.914 -0.050 0.000 2.444 317 V HA 0.396 4.515 4.120 -0.001 0.000 0.294 317 V C -0.486 175.478 176.094 -0.217 0.000 1.022 317 V CA -0.873 61.279 62.300 -0.247 0.000 0.850 317 V CB 1.690 33.162 31.823 -0.585 0.000 0.992 317 V HN 0.602 nan 8.190 nan 0.000 0.426 318 L N 5.281 126.375 121.223 -0.216 0.000 2.276 318 L HA 0.535 4.874 4.340 -0.001 0.000 0.286 318 L C 0.344 177.117 176.870 -0.162 0.000 1.024 318 L CA -0.156 54.579 54.840 -0.176 0.000 0.826 318 L CB 1.607 43.543 42.059 -0.205 0.000 1.211 318 L HN 0.812 nan 8.230 nan 0.000 0.422 319 T N -1.586 112.907 114.554 -0.101 0.000 3.624 319 T HA 0.335 4.684 4.350 -0.001 0.000 0.244 319 T C 0.719 175.425 174.700 0.010 0.000 1.063 319 T CA -0.132 61.949 62.100 -0.032 0.000 1.252 319 T CB 1.035 69.888 68.868 -0.025 0.000 1.021 319 T HN 0.515 nan 8.240 nan 0.000 0.590 320 A N 0.845 123.677 122.820 0.020 0.000 2.251 320 A HA 0.743 5.062 4.320 -0.001 0.000 0.209 320 A C 1.432 179.087 177.584 0.119 0.000 1.187 320 A CA 0.151 52.221 52.037 0.055 0.000 0.823 320 A CB -0.760 18.269 19.000 0.048 0.000 0.846 320 A HN 1.697 nan 8.150 nan 0.000 0.486 321 G N -2.588 106.283 108.800 0.118 0.000 2.699 321 G HA2 0.251 4.210 3.960 -0.001 0.000 0.686 321 G HA3 0.251 4.210 3.960 -0.001 0.000 0.686 321 G C 0.739 175.741 174.900 0.170 0.000 1.301 321 G CA -0.294 44.889 45.100 0.138 0.000 0.816 321 G HN 1.278 nan 8.290 nan 0.000 0.595 322 A N -0.404 122.506 122.820 0.149 0.000 1.972 322 A HA 0.236 4.556 4.320 -0.001 0.000 0.219 322 A C 2.612 180.293 177.584 0.162 0.000 1.169 322 A CA 3.096 55.225 52.037 0.153 0.000 0.635 322 A CB -0.272 18.791 19.000 0.106 0.000 0.810 322 A HN 1.565 nan 8.150 nan 0.000 0.446 323 V N -1.122 118.843 119.914 0.085 0.000 2.379 323 V HA -0.158 3.962 4.120 -0.001 0.000 0.243 323 V C 2.135 178.250 176.094 0.034 0.000 1.035 323 V CA 2.010 64.331 62.300 0.034 0.000 1.035 323 V CB -0.914 30.814 31.823 -0.157 0.000 0.673 323 V HN 0.735 nan 8.190 nan 0.000 0.457 324 H N -0.451 118.692 119.070 0.122 0.000 2.535 324 H HA 0.024 4.579 4.556 -0.001 0.000 0.273 324 H C 2.193 177.508 175.328 -0.022 0.000 0.983 324 H CA 0.715 56.782 56.048 0.032 0.000 1.238 324 H CB 0.151 29.915 29.762 0.003 0.000 1.412 324 H HN 0.307 nan 8.280 nan 0.000 0.562 325 N N -0.115 118.653 118.700 0.113 0.000 2.084 325 N HA -0.118 4.621 4.740 -0.001 0.000 0.190 325 N C 1.745 177.223 175.510 -0.054 0.000 1.030 325 N CA 1.772 54.817 53.050 -0.008 0.000 0.849 325 N CB -0.410 38.053 38.487 -0.039 0.000 1.012 325 N HN 0.299 nan 8.380 nan 0.000 0.423 326 T N 0.748 115.347 114.554 0.075 0.000 2.708 326 T HA -0.170 4.180 4.350 -0.001 0.000 0.266 326 T C 1.829 176.380 174.700 -0.248 0.000 1.037 326 T CA 1.104 63.249 62.100 0.076 0.000 1.146 326 T CB -0.297 68.779 68.868 0.347 0.000 0.865 326 T HN 0.331 nan 8.240 nan 0.000 0.435 327 Q N 0.203 119.694 119.800 -0.515 0.000 2.077 327 Q HA -0.171 4.168 4.340 -0.001 0.000 0.206 327 Q C 2.329 178.038 176.000 -0.485 0.000 0.989 327 Q CA 1.438 56.607 55.803 -1.057 0.000 0.853 327 Q CB -0.277 28.122 28.738 -0.565 0.000 0.907 327 Q HN 0.386 nan 8.270 nan 0.000 0.418 328 L N 0.572 121.649 121.223 -0.244 0.000 2.017 328 L HA -0.143 4.197 4.340 -0.001 0.000 0.208 328 L C 2.040 178.826 176.870 -0.140 0.000 1.073 328 L CA 1.583 56.329 54.840 -0.157 0.000 0.745 328 L CB -0.820 41.170 42.059 -0.114 0.000 0.894 328 L HN 0.329 nan 8.230 nan 0.000 0.432 329 L N -1.345 119.775 121.223 -0.173 0.000 2.012 329 L HA -0.229 4.110 4.340 -0.001 0.000 0.210 329 L C 2.453 179.353 176.870 0.050 0.000 1.073 329 L CA 1.382 56.139 54.840 -0.139 0.000 0.748 329 L CB -0.621 41.263 42.059 -0.293 0.000 0.891 329 L HN 0.134 nan 8.230 nan 0.000 0.431 330 V N -0.291 119.594 119.914 -0.050 0.000 2.515 330 V HA -0.232 3.887 4.120 -0.001 0.000 0.250 330 V C 1.944 178.030 176.094 -0.014 0.000 1.058 330 V CA 1.738 64.045 62.300 0.012 0.000 1.064 330 V CB -0.728 31.085 31.823 -0.017 0.000 0.675 330 V HN 0.484 nan 8.190 nan 0.000 0.461 331 N N -0.277 118.368 118.700 -0.091 0.000 2.571 331 N HA -0.077 4.663 4.740 -0.001 0.000 0.189 331 N C 1.485 176.978 175.510 -0.028 0.000 1.154 331 N CA 0.901 53.914 53.050 -0.062 0.000 0.907 331 N CB 0.036 38.471 38.487 -0.086 0.000 0.977 331 N HN 0.330 nan 8.380 nan 0.000 0.449 332 S N -1.841 113.871 115.700 0.018 0.000 2.559 332 S HA 0.333 4.802 4.470 -0.001 0.000 0.226 332 S C 0.882 175.482 174.600 -0.000 0.000 1.000 332 S CA 0.196 58.419 58.200 0.038 0.000 0.948 332 S CB 0.748 64.028 63.200 0.135 0.000 0.870 332 S HN 0.509 nan 8.310 nan 0.000 0.497 333 G N 1.173 109.976 108.800 0.005 0.000 2.134 333 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.209 333 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.209 333 G C -0.127 174.684 174.900 -0.148 0.000 0.993 333 G CA -0.483 44.568 45.100 -0.081 0.000 0.669 333 G HN 0.386 nan 8.290 nan 0.000 0.519 334 F N 0.652 120.585 119.950 -0.028 0.000 2.377 334 F HA 0.598 5.124 4.527 -0.001 0.000 0.328 334 F C 1.538 177.358 175.800 0.033 0.000 1.094 334 F CA 0.844 58.840 58.000 -0.007 0.000 1.093 334 F CB 1.247 40.214 39.000 -0.055 0.000 1.214 334 F HN 0.761 nan 8.300 nan 0.000 0.518 335 G N 1.955 110.908 108.800 0.255 0.000 2.566 335 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.280 335 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.280 335 G C -0.660 174.321 174.900 0.134 0.000 1.225 335 G CA 0.246 45.461 45.100 0.191 0.000 0.966 335 G HN 0.885 nan 8.290 nan 0.000 0.560 336 Q N -1.031 118.852 119.800 0.139 0.000 2.295 336 Q HA 0.586 4.925 4.340 -0.001 0.000 0.259 336 Q C -0.821 175.261 176.000 0.136 0.000 0.966 336 Q CA -0.945 54.917 55.803 0.097 0.000 0.763 336 Q CB 1.376 30.149 28.738 0.059 0.000 1.283 336 Q HN 0.957 nan 8.270 nan 0.000 0.445 337 L N 4.022 125.318 121.223 0.122 0.000 2.455 337 L HA 0.630 4.969 4.340 -0.001 0.000 0.272 337 L C 0.426 177.376 176.870 0.133 0.000 1.174 337 L CA 2.350 57.285 54.840 0.159 0.000 0.869 337 L CB 0.508 42.632 42.059 0.109 0.000 1.130 337 L HN 0.856 nan 8.230 nan 0.000 0.474 338 G N 3.794 112.720 108.800 0.211 0.000 2.592 338 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.684 338 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.684 338 G C -0.611 174.163 174.900 -0.210 0.000 1.291 338 G CA -0.432 44.738 45.100 0.117 0.000 0.891 338 G HN 0.884 nan 8.290 nan 0.000 0.544 339 R N 0.665 120.851 120.500 -0.524 0.000 2.537 339 R HA 0.299 4.638 4.340 -0.001 0.000 0.281 339 R C -1.880 173.961 176.300 -0.765 0.000 0.988 339 R CA -0.202 55.191 56.100 -1.179 0.000 1.077 339 R CB -0.003 29.930 30.300 -0.611 0.000 0.932 339 R HN 0.350 nan 8.270 nan 0.000 0.409 340 P HA 0.037 nan 4.420 nan 0.000 0.271 340 P C -1.297 175.836 177.300 -0.280 0.000 1.218 340 P CA 0.036 62.871 63.100 -0.442 0.000 0.780 340 P CB 0.519 31.986 31.700 -0.388 0.000 0.901 341 N N 2.463 121.062 118.700 -0.169 0.000 2.685 341 N HA 0.121 4.860 4.740 -0.001 0.000 0.252 341 N C -1.856 173.611 175.510 -0.072 0.000 1.261 341 N CA -1.655 51.325 53.050 -0.116 0.000 0.768 341 N CB 1.151 39.577 38.487 -0.102 0.000 1.304 341 N HN 0.145 nan 8.380 nan 0.000 0.536 342 P HA -0.172 nan 4.420 nan 0.000 0.218 342 P C 0.843 178.126 177.300 -0.027 0.000 1.146 342 P CA 1.002 64.079 63.100 -0.039 0.000 0.820 342 P CB 0.191 31.867 31.700 -0.039 0.000 0.778 343 A N -1.014 121.787 122.820 -0.032 0.000 2.265 343 A HA 0.010 4.330 4.320 -0.001 0.000 0.213 343 A C 1.184 178.756 177.584 -0.021 0.000 1.255 343 A CA 0.405 52.428 52.037 -0.024 0.000 0.862 343 A CB -1.099 17.886 19.000 -0.025 0.000 0.852 343 A HN 0.134 nan 8.150 nan 0.000 0.484 344 N N -0.383 118.304 118.700 -0.022 0.000 2.577 344 N HA 0.214 4.953 4.740 -0.001 0.000 0.285 344 N C -3.296 172.209 175.510 -0.009 0.000 1.658 344 N CA -1.160 51.879 53.050 -0.018 0.000 0.865 344 N CB 0.450 38.921 38.487 -0.027 0.000 1.419 344 N HN 0.010 nan 8.380 nan 0.000 0.495 345 P HA 0.238 nan 4.420 nan 0.000 0.269 345 P C -2.510 174.800 177.300 0.017 0.000 1.215 345 P CA -0.606 62.501 63.100 0.010 0.000 0.780 345 P CB 0.151 31.860 31.700 0.017 0.000 0.898 346 P HA 0.170 nan 4.420 nan 0.000 0.281 346 P C 0.624 177.946 177.300 0.037 0.000 1.249 346 P CA -0.304 62.816 63.100 0.034 0.000 0.810 346 P CB 1.090 32.825 31.700 0.057 0.000 1.008 347 E N 1.080 121.294 120.200 0.022 0.000 2.031 347 E HA -0.082 4.267 4.350 -0.001 0.000 0.193 347 E C 0.032 176.659 176.600 0.045 0.000 0.994 347 E CA 0.886 57.298 56.400 0.019 0.000 0.800 347 E CB -0.039 29.657 29.700 -0.005 0.000 0.752 347 E HN 0.385 nan 8.360 nan 0.000 0.447 348 L N 1.276 122.530 121.223 0.052 0.000 2.309 348 L HA 0.264 4.604 4.340 -0.001 0.000 0.282 348 L C 0.033 177.026 176.870 0.205 0.000 1.036 348 L CA -0.753 54.161 54.840 0.123 0.000 0.806 348 L CB 1.552 43.633 42.059 0.036 0.000 1.220 348 L HN 0.205 nan 8.230 nan 0.000 0.429 349 L N 3.361 124.736 121.223 0.254 0.000 3.826 349 L HA -0.179 4.160 4.340 -0.001 0.000 0.566 349 L C -1.462 175.529 176.870 0.203 0.000 1.217 349 L CA -0.507 54.486 54.840 0.256 0.000 0.823 349 L CB -0.930 41.316 42.059 0.313 0.000 1.381 349 L HN 0.605 nan 8.230 nan 0.000 0.825 350 P HA -0.105 nan 4.420 nan 0.000 0.225 350 P C 1.300 178.703 177.300 0.172 0.000 1.148 350 P CA 0.978 64.161 63.100 0.140 0.000 0.779 350 P CB 0.366 32.129 31.700 0.105 0.000 0.780 351 S N -0.746 115.076 115.700 0.204 0.000 2.528 351 S HA 0.056 4.525 4.470 -0.001 0.000 0.219 351 S C 0.844 175.605 174.600 0.268 0.000 0.985 351 S CA -0.380 57.980 58.200 0.268 0.000 0.914 351 S CB -0.674 62.664 63.200 0.231 0.000 0.776 351 S HN 0.069 nan 8.310 nan 0.000 0.526 352 L N 2.405 123.768 121.223 0.233 0.000 2.601 352 L HA 0.290 4.629 4.340 -0.001 0.000 0.277 352 L C 1.238 178.258 176.870 0.250 0.000 1.219 352 L CA 1.177 56.158 54.840 0.234 0.000 0.915 352 L CB -0.462 41.728 42.059 0.218 0.000 1.160 352 L HN 0.365 nan 8.230 nan 0.000 0.494 353 G N 2.377 111.333 108.800 0.260 0.000 2.168 353 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.263 353 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.263 353 G C 0.549 175.584 174.900 0.226 0.000 0.977 353 G CA 0.435 45.688 45.100 0.255 0.000 0.659 353 G HN 0.837 nan 8.290 nan 0.000 0.533 354 S N -1.823 114.018 115.700 0.235 0.000 2.745 354 S HA 0.607 5.076 4.470 -0.001 0.000 0.292 354 S C 0.740 175.520 174.600 0.301 0.000 1.133 354 S CA 0.177 58.477 58.200 0.167 0.000 0.998 354 S CB 0.485 63.742 63.200 0.094 0.000 1.087 354 S HN 0.949 nan 8.310 nan 0.000 0.551 355 Y N -0.799 119.573 120.300 0.120 0.000 4.236 355 Y HA -0.237 4.312 4.550 -0.001 0.000 0.220 355 Y C 0.666 176.649 175.900 0.139 0.000 1.115 355 Y CA 0.496 58.665 58.100 0.115 0.000 1.811 355 Y CB -2.350 36.173 38.460 0.104 0.000 1.581 355 Y HN 0.577 nan 8.280 nan 0.000 0.643 356 I N 0.230 120.957 120.570 0.262 0.000 2.815 356 I HA 0.307 4.477 4.170 -0.001 0.000 0.291 356 I C 0.740 177.018 176.117 0.268 0.000 1.209 356 I CA 0.510 61.956 61.300 0.244 0.000 1.431 356 I CB 0.986 39.125 38.000 0.232 0.000 1.351 356 I HN 0.215 nan 8.210 nan 0.000 0.585 357 T N 2.106 116.779 114.554 0.198 0.000 2.887 357 T HA 0.717 5.066 4.350 -0.001 0.000 0.288 357 T C -0.615 174.101 174.700 0.028 0.000 1.021 357 T CA -0.703 61.495 62.100 0.164 0.000 1.000 357 T CB 2.135 71.045 68.868 0.070 0.000 1.034 357 T HN 0.833 nan 8.240 nan 0.000 0.467 358 E N 0.729 120.935 120.200 0.010 0.000 2.343 358 E HA 0.304 4.653 4.350 -0.001 0.000 0.278 358 E C -1.281 175.464 176.600 0.242 0.000 0.910 358 E CA -0.530 55.846 56.400 -0.041 0.000 0.757 358 E CB 2.027 31.485 29.700 -0.403 0.000 1.218 358 E HN 0.707 nan 8.360 nan 0.000 0.435 359 Q N 1.288 121.233 119.800 0.242 0.000 2.314 359 Q HA 0.421 4.760 4.340 -0.001 0.000 0.258 359 Q C -0.396 175.804 176.000 0.332 0.000 0.954 359 Q CA -0.356 55.633 55.803 0.309 0.000 0.890 359 Q CB 1.177 30.134 28.738 0.365 0.000 1.210 359 Q HN 0.485 nan 8.270 nan 0.000 0.410 360 S N 1.816 117.611 115.700 0.158 0.000 2.560 360 S HA 0.215 4.684 4.470 -0.001 0.000 0.284 360 S C -0.516 174.126 174.600 0.069 0.000 1.327 360 S CA -0.362 57.809 58.200 -0.049 0.000 1.055 360 S CB 0.317 63.410 63.200 -0.179 0.000 0.868 360 S HN 0.384 nan 8.310 nan 0.000 0.506 361 L N 4.712 125.943 121.223 0.015 0.000 2.404 361 L HA 0.613 4.953 4.340 -0.001 0.000 0.272 361 L C -0.717 176.020 176.870 -0.223 0.000 0.980 361 L CA -0.653 54.093 54.840 -0.158 0.000 0.836 361 L CB 1.438 43.387 42.059 -0.184 0.000 1.238 361 L HN 0.480 nan 8.230 nan 0.000 0.408 362 V N 2.161 121.866 119.914 -0.349 0.000 2.630 362 V HA 0.740 4.860 4.120 -0.001 0.000 0.305 362 V C -0.875 175.103 176.094 -0.192 0.000 1.046 362 V CA -0.612 61.414 62.300 -0.458 0.000 0.934 362 V CB 1.600 32.955 31.823 -0.780 0.000 1.003 362 V HN 0.764 nan 8.190 nan 0.000 0.451 363 F N 4.966 124.735 119.950 -0.302 0.000 2.581 363 F HA 0.847 5.373 4.527 -0.001 0.000 0.311 363 F C -0.329 175.375 175.800 -0.160 0.000 1.113 363 F CA -0.328 57.581 58.000 -0.152 0.000 0.935 363 F CB 1.445 40.393 39.000 -0.087 0.000 1.232 363 F HN 1.183 nan 8.300 nan 0.000 0.445 364 C N 2.865 121.565 119.300 -0.999 0.000 3.336 364 C HA 0.826 5.286 4.460 -0.001 0.000 0.339 364 C C -1.579 172.864 174.990 -0.913 0.000 1.468 364 C CA -0.695 57.705 59.018 -1.030 0.000 1.287 364 C CB 1.733 29.115 27.740 -0.597 0.000 1.682 364 C HN 0.936 nan 8.230 nan 0.000 0.451 365 Q N 0.590 120.110 119.800 -0.468 0.000 2.387 365 Q HA 0.723 5.062 4.340 -0.001 0.000 0.273 365 Q C -0.425 175.631 176.000 0.093 0.000 1.089 365 Q CA -0.214 55.534 55.803 -0.091 0.000 0.824 365 Q CB 2.654 31.315 28.738 -0.127 0.000 1.367 365 Q HN 0.935 nan 8.270 nan 0.000 0.443 366 T N -2.545 112.143 114.554 0.223 0.000 2.950 366 T HA 0.695 5.044 4.350 -0.001 0.000 0.288 366 T C -0.427 174.337 174.700 0.105 0.000 1.035 366 T CA -0.719 61.474 62.100 0.155 0.000 1.028 366 T CB 1.166 70.147 68.868 0.189 0.000 1.109 366 T HN 0.259 nan 8.240 nan 0.000 0.514 367 V N 2.543 122.485 119.914 0.047 0.000 2.357 367 V HA 0.376 4.495 4.120 -0.001 0.000 0.284 367 V C 0.243 176.345 176.094 0.013 0.000 1.018 367 V CA -0.903 61.408 62.300 0.018 0.000 0.841 367 V CB 1.029 32.850 31.823 -0.003 0.000 0.991 367 V HN 1.014 nan 8.190 nan 0.000 0.437 368 M N 4.931 124.543 119.600 0.021 0.000 2.248 368 M HA 0.079 4.558 4.480 -0.001 0.000 0.343 368 M C 0.919 177.221 176.300 0.003 0.000 1.243 368 M CA 0.723 56.037 55.300 0.024 0.000 1.025 368 M CB 0.591 33.202 32.600 0.018 0.000 1.759 368 M HN 0.925 nan 8.290 nan 0.000 0.452 369 S N 2.678 118.378 115.700 0.001 0.000 2.563 369 S HA 0.038 4.507 4.470 -0.001 0.000 0.284 369 S C 1.005 175.602 174.600 -0.004 0.000 1.331 369 S CA -0.006 58.186 58.200 -0.013 0.000 1.047 369 S CB 0.466 63.654 63.200 -0.020 0.000 0.859 369 S HN 0.810 nan 8.310 nan 0.000 0.514 370 T N 1.888 116.436 114.554 -0.009 0.000 2.720 370 T HA -0.155 4.194 4.350 -0.001 0.000 0.268 370 T C 1.617 176.320 174.700 0.006 0.000 1.037 370 T CA 1.901 64.000 62.100 -0.002 0.000 1.144 370 T CB -0.556 68.307 68.868 -0.007 0.000 0.864 370 T HN 0.839 nan 8.240 nan 0.000 0.444 371 E N 0.250 120.451 120.200 0.001 0.000 2.085 371 E HA -0.093 4.256 4.350 -0.001 0.000 0.194 371 E C 2.086 178.701 176.600 0.026 0.000 0.994 371 E CA 0.894 57.298 56.400 0.008 0.000 0.801 371 E CB -0.146 29.552 29.700 -0.004 0.000 0.743 371 E HN 0.420 nan 8.360 nan 0.000 0.453 372 L N 0.301 121.541 121.223 0.029 0.000 2.131 372 L HA -0.117 4.222 4.340 -0.001 0.000 0.206 372 L C 2.228 179.136 176.870 0.064 0.000 1.087 372 L CA 0.099 54.972 54.840 0.054 0.000 0.767 372 L CB -0.127 41.963 42.059 0.052 0.000 0.917 372 L HN 0.247 nan 8.230 nan 0.000 0.441 373 I N 0.132 120.725 120.570 0.039 0.000 2.179 373 I HA -0.282 3.888 4.170 -0.001 0.000 0.242 373 I C 2.155 178.300 176.117 0.047 0.000 1.088 373 I CA 1.489 62.807 61.300 0.030 0.000 1.357 373 I CB -1.044 36.963 38.000 0.012 0.000 1.051 373 I HN 0.251 nan 8.210 nan 0.000 0.409 374 D N 0.719 121.146 120.400 0.045 0.000 2.149 374 D HA -0.144 4.495 4.640 -0.001 0.000 0.198 374 D C 2.325 178.672 176.300 0.078 0.000 0.990 374 D CA 1.711 55.742 54.000 0.052 0.000 0.839 374 D CB -0.116 40.706 40.800 0.036 0.000 0.948 374 D HN 0.375 nan 8.370 nan 0.000 0.460 375 S N -0.281 115.477 115.700 0.096 0.000 2.474 375 S HA -0.073 4.396 4.470 -0.001 0.000 0.235 375 S C 2.097 176.842 174.600 0.242 0.000 0.997 375 S CA 0.372 58.661 58.200 0.150 0.000 0.949 375 S CB -0.315 62.969 63.200 0.139 0.000 0.766 375 S HN 0.058 nan 8.310 nan 0.000 0.517 376 V N 2.700 122.724 119.914 0.184 0.000 2.490 376 V HA -0.130 3.990 4.120 -0.001 0.000 0.250 376 V C 2.107 178.316 176.094 0.192 0.000 1.061 376 V CA 2.062 64.491 62.300 0.215 0.000 1.064 376 V CB -0.612 31.267 31.823 0.092 0.000 0.670 376 V HN 0.820 nan 8.190 nan 0.000 0.461 377 K N -0.219 120.266 120.400 0.141 0.000 2.514 377 K HA 0.188 4.507 4.320 -0.001 0.000 0.207 377 K C 1.435 178.096 176.600 0.101 0.000 1.035 377 K CA 0.662 57.020 56.287 0.118 0.000 1.113 377 K CB 0.278 32.833 32.500 0.092 0.000 0.846 377 K HN 0.367 nan 8.250 nan 0.000 0.491 378 S N 0.466 116.240 115.700 0.123 0.000 2.469 378 S HA -0.127 4.343 4.470 -0.001 0.000 0.238 378 S C 0.759 175.372 174.600 0.023 0.000 0.998 378 S CA 1.024 59.260 58.200 0.061 0.000 0.957 378 S CB -0.204 63.020 63.200 0.039 0.000 0.764 378 S HN 0.300 nan 8.310 nan 0.000 0.514 379 D N 0.661 121.084 120.400 0.039 0.000 2.349 379 D HA 0.257 4.896 4.640 -0.001 0.000 0.214 379 D C 0.024 176.360 176.300 0.060 0.000 1.063 379 D CA 0.161 54.169 54.000 0.014 0.000 0.847 379 D CB 0.050 40.836 40.800 -0.024 0.000 0.933 379 D HN 0.361 nan 8.370 nan 0.000 0.513 380 M N 0.409 120.045 119.600 0.061 0.000 2.249 380 M HA 0.237 4.717 4.480 -0.001 0.000 0.351 380 M C 0.301 176.624 176.300 0.038 0.000 1.180 380 M CA -0.057 55.286 55.300 0.072 0.000 1.127 380 M CB 1.190 33.830 32.600 0.067 0.000 1.546 380 M HN -0.342 nan 8.290 nan 0.000 0.461 381 T N 4.264 118.833 114.554 0.025 0.000 2.758 381 T HA 0.658 5.007 4.350 -0.001 0.000 0.285 381 T C -0.073 174.593 174.700 -0.057 0.000 0.981 381 T CA -0.310 61.783 62.100 -0.013 0.000 0.965 381 T CB 0.417 69.275 68.868 -0.017 0.000 0.927 381 T HN 0.424 nan 8.240 nan 0.000 0.448 382 I N 4.444 124.974 120.570 -0.067 0.000 2.382 382 I HA 0.429 4.598 4.170 -0.001 0.000 0.285 382 I C 0.268 176.314 176.117 -0.118 0.000 1.007 382 I CA -0.644 60.575 61.300 -0.135 0.000 1.142 382 I CB 1.087 39.047 38.000 -0.067 0.000 1.289 382 I HN 0.333 nan 8.210 nan 0.000 0.453 383 R N 4.058 124.449 120.500 -0.182 0.000 2.778 383 R HA 0.825 5.164 4.340 -0.001 0.000 0.277 383 R C 0.171 176.427 176.300 -0.073 0.000 0.977 383 R CA -0.668 55.373 56.100 -0.098 0.000 0.950 383 R CB 1.961 32.214 30.300 -0.079 0.000 1.165 383 R HN 0.795 nan 8.270 nan 0.000 0.474 384 G N 0.664 109.481 108.800 0.028 0.000 2.741 384 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.222 384 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.222 384 G C -0.634 174.404 174.900 0.230 0.000 1.364 384 G CA -0.298 44.870 45.100 0.112 0.000 0.866 384 G HN 0.777 nan 8.290 nan 0.000 0.555 385 T N -1.256 113.435 114.554 0.229 0.000 2.824 385 T HA 0.688 5.037 4.350 -0.001 0.000 0.282 385 T C -2.760 171.950 174.700 0.018 0.000 0.993 385 T CA -1.484 60.717 62.100 0.168 0.000 0.967 385 T CB 2.380 71.286 68.868 0.064 0.000 0.960 385 T HN 0.523 nan 8.240 nan 0.000 0.441 386 P HA 0.209 nan 4.420 nan 0.000 0.255 386 P C 1.204 178.300 177.300 -0.340 0.000 1.161 386 P CA 1.590 64.196 63.100 -0.823 0.000 0.768 386 P CB -0.025 31.294 31.700 -0.636 0.000 0.746 387 G N 2.683 111.329 108.800 -0.257 0.000 2.659 387 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.202 387 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.202 387 G C 0.121 174.996 174.900 -0.042 0.000 1.186 387 G CA -0.450 44.581 45.100 -0.115 0.000 0.783 387 G HN 0.516 nan 8.290 nan 0.000 0.521 388 E N 0.588 120.778 120.200 -0.017 0.000 2.458 388 E HA 0.279 4.628 4.350 -0.001 0.000 0.264 388 E C 1.284 177.910 176.600 0.042 0.000 1.097 388 E CA -0.040 56.370 56.400 0.018 0.000 0.973 388 E CB 0.408 30.128 29.700 0.033 0.000 0.963 388 E HN 0.258 nan 8.360 nan 0.000 0.451 389 L N 1.036 122.281 121.223 0.036 0.000 2.456 389 L HA -0.087 4.252 4.340 -0.001 0.000 0.224 389 L C 1.824 178.725 176.870 0.052 0.000 1.148 389 L CA 1.353 56.216 54.840 0.037 0.000 0.825 389 L CB -0.769 41.303 42.059 0.023 0.000 0.937 389 L HN 0.548 nan 8.230 nan 0.000 0.450 390 T N -5.497 109.098 114.554 0.068 0.000 3.266 390 T HA 0.163 4.512 4.350 -0.001 0.000 0.278 390 T C 0.099 174.860 174.700 0.103 0.000 1.010 390 T CA -0.425 61.714 62.100 0.064 0.000 0.909 390 T CB -0.640 68.253 68.868 0.042 0.000 1.122 390 T HN 0.010 nan 8.240 nan 0.000 0.536 391 Y N 3.063 123.361 120.300 -0.003 0.000 2.544 391 Y HA 0.434 4.983 4.550 -0.001 0.000 0.330 391 Y C 0.361 176.261 175.900 0.000 0.000 1.136 391 Y CA -0.395 57.705 58.100 -0.001 0.000 1.417 391 Y CB 0.482 38.940 38.460 -0.004 0.000 1.229 391 Y HN 0.318 nan 8.280 nan 0.000 0.532 392 S N 5.530 121.033 115.700 -0.328 0.000 2.502 392 S HA 0.753 5.222 4.470 -0.001 0.000 0.304 392 S C -1.809 172.525 174.600 -0.444 0.000 1.097 392 S CA -0.668 57.370 58.200 -0.271 0.000 1.045 392 S CB 0.859 63.976 63.200 -0.139 0.000 1.019 392 S HN 0.450 nan 8.310 nan 0.000 0.481 393 V N 4.732 124.479 119.914 -0.277 0.000 2.407 393 V HA 0.737 4.856 4.120 -0.001 0.000 0.291 393 V C 0.023 176.102 176.094 -0.025 0.000 1.018 393 V CA -0.406 61.794 62.300 -0.167 0.000 0.842 393 V CB 1.269 33.040 31.823 -0.087 0.000 0.996 393 V HN 1.081 nan 8.190 nan 0.000 0.426 394 T N 1.846 116.403 114.554 0.006 0.000 2.883 394 T HA 0.865 5.214 4.350 -0.001 0.000 0.301 394 T C -1.060 173.716 174.700 0.127 0.000 1.158 394 T CA -0.744 61.380 62.100 0.040 0.000 1.007 394 T CB 2.359 71.202 68.868 -0.040 0.000 1.186 394 T HN 0.864 nan 8.240 nan 0.000 0.499 395 Y N -1.660 118.631 120.300 -0.015 0.000 2.689 395 Y HA 0.803 5.352 4.550 -0.001 0.000 0.333 395 Y C -1.037 174.853 175.900 -0.017 0.000 1.190 395 Y CA -1.285 56.806 58.100 -0.014 0.000 1.063 395 Y CB 0.973 39.431 38.460 -0.003 0.000 1.294 395 Y HN 0.650 nan 8.280 nan 0.000 0.466 396 T N 3.846 118.422 114.554 0.036 0.000 2.821 396 T HA 0.396 4.745 4.350 -0.001 0.000 0.307 396 T C -2.901 171.813 174.700 0.024 0.000 1.034 396 T CA -1.441 60.609 62.100 -0.082 0.000 0.953 396 T CB 0.774 69.626 68.868 -0.027 0.000 0.968 396 T HN 0.352 nan 8.240 nan 0.000 0.462 397 P HA 0.162 nan 4.420 nan 0.000 0.262 397 P C 1.154 178.493 177.300 0.066 0.000 1.182 397 P CA 0.865 64.025 63.100 0.100 0.000 0.761 397 P CB 0.252 31.959 31.700 0.012 0.000 0.795 398 G N 2.012 110.862 108.800 0.084 0.000 2.184 398 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.264 398 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.264 398 G C 0.480 175.388 174.900 0.014 0.000 0.975 398 G CA 0.073 45.196 45.100 0.038 0.000 0.642 398 G HN 0.878 nan 8.290 nan 0.000 0.536 399 A N 0.635 123.464 122.820 0.015 0.000 2.540 399 A HA 0.587 4.906 4.320 -0.001 0.000 0.239 399 A C 1.823 179.392 177.584 -0.024 0.000 1.061 399 A CA 1.326 53.360 52.037 -0.005 0.000 0.758 399 A CB 0.213 19.211 19.000 -0.002 0.000 0.991 399 A HN 1.753 nan 8.150 nan 0.000 0.502 400 S N 1.472 117.156 115.700 -0.028 0.000 2.419 400 S HA -0.163 4.307 4.470 -0.001 0.000 0.233 400 S C 1.353 175.918 174.600 -0.058 0.000 1.016 400 S CA 1.648 59.824 58.200 -0.039 0.000 0.974 400 S CB -0.817 62.365 63.200 -0.031 0.000 0.786 400 S HN 1.238 nan 8.310 nan 0.000 0.492 401 T N -1.093 113.427 114.554 -0.056 0.000 3.107 401 T HA 0.245 4.595 4.350 -0.001 0.000 0.249 401 T C 0.258 174.895 174.700 -0.104 0.000 1.096 401 T CA -0.573 61.484 62.100 -0.072 0.000 1.012 401 T CB -0.573 68.261 68.868 -0.057 0.000 0.977 401 T HN 0.154 nan 8.240 nan 0.000 0.527 402 N N 2.476 121.111 118.700 -0.108 0.000 2.483 402 N HA 0.179 4.918 4.740 -0.001 0.000 0.264 402 N C 1.039 176.380 175.510 -0.281 0.000 1.197 402 N CA -0.231 52.722 53.050 -0.162 0.000 0.927 402 N CB 1.039 39.459 38.487 -0.113 0.000 1.065 402 N HN 0.154 nan 8.380 nan 0.000 0.461 403 K N 1.263 121.393 120.400 -0.451 0.000 2.243 403 K HA 0.030 4.349 4.320 -0.001 0.000 0.201 403 K C 0.039 176.081 176.600 -0.931 0.000 1.051 403 K CA 0.904 56.776 56.287 -0.691 0.000 0.970 403 K CB 0.108 32.071 32.500 -0.896 0.000 0.755 403 K HN 0.581 nan 8.250 nan 0.000 0.465 404 H N 0.172 118.900 119.070 -0.571 0.000 2.670 404 H HA 0.343 4.898 4.556 -0.001 0.000 0.361 404 H C -2.307 172.655 175.328 -0.610 0.000 1.169 404 H CA -2.639 52.897 56.048 -0.854 0.000 1.198 404 H CB 1.205 29.998 29.762 -1.614 0.000 1.700 404 H HN -0.160 nan 8.280 nan 0.000 0.542 405 P HA 0.014 nan 4.420 nan 0.000 0.273 405 P C 0.450 177.450 177.300 -0.501 0.000 1.250 405 P CA -0.256 62.575 63.100 -0.449 0.000 0.793 405 P CB 1.079 32.455 31.700 -0.541 0.000 1.011 406 D N -0.026 120.223 120.400 -0.251 0.000 2.117 406 D HA -0.136 4.503 4.640 -0.001 0.000 0.197 406 D C 1.895 178.133 176.300 -0.104 0.000 0.987 406 D CA 1.278 55.219 54.000 -0.098 0.000 0.829 406 D CB -0.571 40.304 40.800 0.125 0.000 0.961 406 D HN 0.605 nan 8.370 nan 0.000 0.460 407 W N 0.251 121.617 121.300 0.109 0.000 2.364 407 W HA -0.139 4.520 4.660 -0.001 0.000 0.281 407 W C 1.865 178.453 176.519 0.115 0.000 1.219 407 W CA 0.146 57.552 57.345 0.102 0.000 1.220 407 W CB -1.276 28.239 29.460 0.092 0.000 1.127 407 W HN 0.080 nan 8.180 nan 0.000 0.556 408 W N 3.322 124.185 121.300 -0.728 0.000 2.441 408 W HA -0.077 4.582 4.660 -0.001 0.000 0.302 408 W C 1.778 178.043 176.519 -0.423 0.000 1.191 408 W CA 1.313 58.258 57.345 -0.668 0.000 1.327 408 W CB -1.039 27.716 29.460 -1.176 0.000 1.128 408 W HN -0.162 nan 8.180 nan 0.000 0.522 409 N N 1.029 119.650 118.700 -0.130 0.000 2.270 409 N HA -0.170 4.569 4.740 -0.001 0.000 0.181 409 N C 1.513 176.744 175.510 -0.465 0.000 1.016 409 N CA 1.735 54.537 53.050 -0.413 0.000 0.870 409 N CB -0.487 37.367 38.487 -1.055 0.000 0.979 409 N HN 0.240 nan 8.380 nan 0.000 0.431 410 E N 1.388 121.412 120.200 -0.294 0.000 2.106 410 E HA -0.065 4.284 4.350 -0.001 0.000 0.192 410 E C 1.566 178.222 176.600 0.093 0.000 0.984 410 E CA 1.262 57.701 56.400 0.065 0.000 0.806 410 E CB 0.112 29.939 29.700 0.212 0.000 0.750 410 E HN 0.211 nan 8.360 nan 0.000 0.458 411 K N -0.612 119.829 120.400 0.069 0.000 2.097 411 K HA -0.056 4.263 4.320 -0.001 0.000 0.205 411 K C 2.041 178.663 176.600 0.037 0.000 1.050 411 K CA 1.178 57.502 56.287 0.061 0.000 0.938 411 K CB -0.037 32.484 32.500 0.036 0.000 0.718 411 K HN 0.001 nan 8.250 nan 0.000 0.442 412 V N 1.952 121.861 119.914 -0.008 0.000 2.295 412 V HA -0.259 3.860 4.120 -0.001 0.000 0.246 412 V C 2.374 178.529 176.094 0.102 0.000 1.049 412 V CA 1.641 63.952 62.300 0.018 0.000 1.024 412 V CB -0.367 31.469 31.823 0.022 0.000 0.648 412 V HN 0.334 nan 8.190 nan 0.000 0.447 413 K N 0.274 120.735 120.400 0.102 0.000 2.025 413 K HA -0.209 4.110 4.320 -0.001 0.000 0.207 413 K C 1.985 178.666 176.600 0.134 0.000 1.049 413 K CA 1.862 58.236 56.287 0.145 0.000 0.933 413 K CB -0.266 32.376 32.500 0.236 0.000 0.714 413 K HN 0.408 nan 8.250 nan 0.000 0.438 414 N N 0.544 119.326 118.700 0.137 0.000 2.223 414 N HA -0.183 4.557 4.740 -0.001 0.000 0.185 414 N C 1.729 177.317 175.510 0.129 0.000 1.016 414 N CA 1.334 54.456 53.050 0.119 0.000 0.863 414 N CB -0.574 37.987 38.487 0.123 0.000 0.983 414 N HN 0.460 nan 8.380 nan 0.000 0.429 415 H N 0.557 119.670 119.070 0.072 0.000 2.299 415 H HA 0.122 4.677 4.556 -0.001 0.000 0.302 415 H C 2.035 177.429 175.328 0.111 0.000 1.078 415 H CA 1.648 57.750 56.048 0.091 0.000 1.323 415 H CB -0.162 29.566 29.762 -0.057 0.000 1.381 415 H HN 0.059 nan 8.280 nan 0.000 0.498 416 M N -0.662 118.932 119.600 -0.010 0.000 2.213 416 M HA -0.159 4.320 4.480 -0.001 0.000 0.263 416 M C 1.713 178.046 176.300 0.056 0.000 1.062 416 M CA 1.244 56.548 55.300 0.007 0.000 1.105 416 M CB 0.012 32.710 32.600 0.162 0.000 1.385 416 M HN 0.380 nan 8.290 nan 0.000 0.417 417 M N -0.402 119.234 119.600 0.059 0.000 2.325 417 M HA -0.070 4.409 4.480 -0.001 0.000 0.265 417 M C 1.946 178.222 176.300 -0.039 0.000 1.094 417 M CA 1.572 56.918 55.300 0.077 0.000 1.161 417 M CB -0.909 31.733 32.600 0.071 0.000 1.358 417 M HN 0.308 nan 8.290 nan 0.000 0.446 418 Q N -0.649 119.068 119.800 -0.138 0.000 2.311 418 Q HA -0.040 4.299 4.340 -0.001 0.000 0.203 418 Q C 0.020 175.643 176.000 -0.628 0.000 0.954 418 Q CA 0.775 56.364 55.803 -0.356 0.000 0.885 418 Q CB 0.155 28.659 28.738 -0.389 0.000 0.963 418 Q HN 0.578 nan 8.270 nan 0.000 0.471 419 H N 0.402 119.363 119.070 -0.181 0.000 2.348 419 H HA 0.207 4.762 4.556 -0.001 0.000 0.232 419 H C 0.123 175.335 175.328 -0.193 0.000 1.419 419 H CA -0.140 55.805 56.048 -0.172 0.000 1.416 419 H CB 0.555 30.189 29.762 -0.213 0.000 1.510 419 H HN 0.255 nan 8.280 nan 0.000 0.507 420 Q N 0.790 120.532 119.800 -0.096 0.000 2.291 420 Q HA -0.124 4.215 4.340 -0.001 0.000 0.205 420 Q C 1.881 177.801 176.000 -0.132 0.000 0.970 420 Q CA 1.005 56.697 55.803 -0.184 0.000 0.876 420 Q CB 0.373 28.950 28.738 -0.268 0.000 0.935 420 Q HN 0.528 nan 8.270 nan 0.000 0.455 421 E N 1.107 121.282 120.200 -0.042 0.000 2.427 421 E HA -0.116 4.234 4.350 -0.001 0.000 0.196 421 E C -0.395 176.221 176.600 0.027 0.000 1.028 421 E CA 0.565 56.961 56.400 -0.007 0.000 0.864 421 E CB -0.083 29.634 29.700 0.027 0.000 0.813 421 E HN 0.170 nan 8.360 nan 0.000 0.514 422 D N 2.188 122.613 120.400 0.043 0.000 2.280 422 D HA 0.116 4.755 4.640 -0.001 0.000 0.243 422 D C -1.584 174.742 176.300 0.043 0.000 1.129 422 D CA -2.070 51.977 54.000 0.078 0.000 0.848 422 D CB 1.502 42.367 40.800 0.107 0.000 1.107 422 D HN -0.146 nan 8.370 nan 0.000 0.471 423 P HA 0.068 nan 4.420 nan 0.000 0.245 423 P C -0.267 177.062 177.300 0.047 0.000 1.212 423 P CA 0.279 63.401 63.100 0.036 0.000 0.774 423 P CB 0.362 32.079 31.700 0.027 0.000 0.999 424 L N 1.293 122.557 121.223 0.068 0.000 2.333 424 L HA 0.399 4.739 4.340 -0.001 0.000 0.269 424 L C -1.584 175.334 176.870 0.079 0.000 1.010 424 L CA -2.307 52.557 54.840 0.040 0.000 0.818 424 L CB 2.763 44.811 42.059 -0.019 0.000 1.306 424 L HN -0.332 nan 8.230 nan 0.000 0.430 425 P HA 0.139 nan 4.420 nan 0.000 0.261 425 P C 0.139 177.312 177.300 -0.212 0.000 1.268 425 P CA 0.412 63.520 63.100 0.014 0.000 0.833 425 P CB 0.520 32.233 31.700 0.022 0.000 1.231 426 I N 2.181 122.521 120.570 -0.384 0.000 2.342 426 I HA 0.251 4.420 4.170 -0.001 0.000 0.291 426 I C -2.154 173.455 176.117 -0.848 0.000 1.010 426 I CA -2.804 58.211 61.300 -0.474 0.000 1.308 426 I CB 0.888 38.699 38.000 -0.316 0.000 1.400 426 I HN -0.245 nan 8.210 nan 0.000 0.488 427 P HA -0.016 nan 4.420 nan 0.000 0.268 427 P C 0.338 177.371 177.300 -0.444 0.000 1.208 427 P CA 0.044 62.757 63.100 -0.645 0.000 0.777 427 P CB 0.336 31.898 31.700 -0.230 0.000 0.875 428 F N 0.711 120.532 119.950 -0.216 0.000 2.161 428 F HA -0.138 4.388 4.527 -0.001 0.000 0.300 428 F C 1.901 177.660 175.800 -0.069 0.000 1.089 428 F CA 1.642 59.568 58.000 -0.125 0.000 1.282 428 F CB -0.929 38.007 39.000 -0.107 0.000 1.010 428 F HN 0.425 nan 8.300 nan 0.000 0.485 429 E N -0.417 119.856 120.200 0.121 0.000 2.444 429 E HA -0.021 4.329 4.350 -0.001 0.000 0.191 429 E C -0.212 176.408 176.600 0.033 0.000 1.041 429 E CA -0.276 56.174 56.400 0.084 0.000 0.883 429 E CB -0.139 29.613 29.700 0.087 0.000 1.024 429 E HN 0.115 nan 8.360 nan 0.000 0.470 430 D N 1.803 122.197 120.400 -0.011 0.000 2.487 430 D HA -0.003 4.636 4.640 -0.001 0.000 0.243 430 D C -2.236 174.080 176.300 0.028 0.000 1.154 430 D CA -1.355 52.628 54.000 -0.030 0.000 0.876 430 D CB 0.793 41.536 40.800 -0.096 0.000 1.161 430 D HN -0.070 nan 8.370 nan 0.000 0.478 431 P HA 0.105 nan 4.420 nan 0.000 0.275 431 P C -0.433 176.993 177.300 0.209 0.000 1.266 431 P CA -0.427 62.767 63.100 0.157 0.000 0.793 431 P CB 0.325 32.121 31.700 0.160 0.000 1.074 432 E N 0.997 121.360 120.200 0.272 0.000 2.373 432 E HA 0.232 4.581 4.350 -0.001 0.000 0.263 432 E C -2.412 174.248 176.600 0.100 0.000 1.073 432 E CA -2.007 54.475 56.400 0.136 0.000 0.894 432 E CB -0.662 29.092 29.700 0.090 0.000 1.008 432 E HN 0.256 nan 8.360 nan 0.000 0.420 433 P HA 0.075 nan 4.420 nan 0.000 0.274 433 P C -0.489 176.850 177.300 0.064 0.000 1.237 433 P CA -0.176 63.008 63.100 0.141 0.000 0.793 433 P CB 0.543 32.263 31.700 0.033 0.000 0.977 434 Q N 0.649 120.597 119.800 0.247 0.000 3.557 434 Q HA 0.309 4.649 4.340 -0.001 0.000 0.264 434 Q C -1.039 175.063 176.000 0.171 0.000 0.850 434 Q CA -0.284 55.531 55.803 0.019 0.000 0.833 434 Q CB 1.140 29.647 28.738 -0.385 0.000 1.505 434 Q HN 0.183 nan 8.270 nan 0.000 0.402 435 V N 0.622 120.568 119.914 0.052 0.000 2.581 435 V HA 0.771 4.890 4.120 -0.001 0.000 0.303 435 V C 0.084 176.180 176.094 0.003 0.000 1.041 435 V CA -0.374 61.942 62.300 0.028 0.000 0.907 435 V CB 2.112 33.877 31.823 -0.096 0.000 0.994 435 V HN 0.465 nan 8.190 nan 0.000 0.442 436 T N 1.704 116.298 114.554 0.066 0.000 2.923 436 T HA 0.437 4.787 4.350 -0.001 0.000 0.311 436 T C -0.964 173.704 174.700 -0.054 0.000 1.183 436 T CA -0.315 61.774 62.100 -0.018 0.000 1.020 436 T CB 1.874 70.698 68.868 -0.074 0.000 1.165 436 T HN 0.806 nan 8.240 nan 0.000 0.482 437 T N 4.520 118.894 114.554 -0.301 0.000 2.756 437 T HA 0.614 4.963 4.350 -0.001 0.000 0.290 437 T C 0.003 174.570 174.700 -0.222 0.000 0.985 437 T CA -0.579 61.182 62.100 -0.565 0.000 0.955 437 T CB -0.207 67.926 68.868 -1.224 0.000 0.930 437 T HN 0.513 nan 8.240 nan 0.000 0.451 438 L N 4.432 125.589 121.223 -0.110 0.000 2.464 438 L HA 0.392 4.731 4.340 -0.001 0.000 0.264 438 L C 0.712 177.557 176.870 -0.042 0.000 1.199 438 L CA -0.938 53.908 54.840 0.010 0.000 0.818 438 L CB 0.199 42.267 42.059 0.014 0.000 1.102 438 L HN 0.630 nan 8.230 nan 0.000 0.473 439 F N 2.825 122.692 119.950 -0.137 0.000 2.537 439 F HA -0.133 4.393 4.527 -0.001 0.000 0.402 439 F C 0.307 175.834 175.800 -0.456 0.000 1.005 439 F CA 0.743 58.567 58.000 -0.294 0.000 1.203 439 F CB 0.044 38.926 39.000 -0.196 0.000 0.955 439 F HN 0.387 nan 8.300 nan 0.000 0.547 440 Q N 6.731 125.963 119.800 -0.948 0.000 2.501 440 Q HA 0.267 4.607 4.340 -0.001 0.000 0.288 440 Q C -2.039 173.501 176.000 -0.767 0.000 1.051 440 Q CA -1.762 53.606 55.803 -0.725 0.000 0.788 440 Q CB 1.432 29.660 28.738 -0.850 0.000 1.469 440 Q HN 0.225 nan 8.270 nan 0.000 0.416 441 P HA -0.146 nan 4.420 nan 0.000 0.219 441 P C 1.105 178.196 177.300 -0.348 0.000 1.146 441 P CA 1.625 64.556 63.100 -0.281 0.000 0.808 441 P CB 0.317 31.942 31.700 -0.124 0.000 0.779 442 S N -1.680 113.814 115.700 -0.344 0.000 2.548 442 S HA -0.041 4.429 4.470 -0.001 0.000 0.215 442 S C 0.494 174.902 174.600 -0.321 0.000 0.976 442 S CA -0.178 57.891 58.200 -0.218 0.000 0.908 442 S CB -1.168 62.003 63.200 -0.049 0.000 0.781 442 S HN 0.400 nan 8.310 nan 0.000 0.519 443 H N -0.839 117.767 119.070 -0.774 0.000 2.538 443 H HA 0.494 5.049 4.556 -0.001 0.000 0.239 443 H C -3.178 170.961 175.328 -1.981 0.000 1.401 443 H CA -1.857 53.327 56.048 -1.441 0.000 1.499 443 H CB 0.747 29.944 29.762 -0.941 0.000 1.624 443 H HN 0.060 nan 8.280 nan 0.000 0.524 444 P HA 0.089 nan 4.420 nan 0.000 0.218 444 P C -1.280 175.436 177.300 -0.973 0.000 1.793 444 P CA 0.094 62.120 63.100 -1.790 0.000 0.941 444 P CB -1.013 30.230 31.700 -0.762 0.000 1.919 445 W N -0.549 120.447 121.300 -0.507 0.000 3.083 445 W HA 0.539 5.198 4.660 -0.001 0.000 0.333 445 W C -0.553 176.024 176.519 0.096 0.000 1.217 445 W CA -1.305 56.046 57.345 0.009 0.000 1.170 445 W CB 0.042 29.552 29.460 0.084 0.000 1.437 445 W HN -0.022 nan 8.180 nan 0.000 0.557 446 H N 1.035 120.362 119.070 0.427 0.000 2.551 446 H HA 0.657 5.212 4.556 -0.001 0.000 0.358 446 H C -0.132 175.318 175.328 0.204 0.000 1.151 446 H CA 0.617 56.800 56.048 0.224 0.000 1.374 446 H CB 1.344 31.158 29.762 0.087 0.000 1.473 446 H HN 0.582 nan 8.280 nan 0.000 0.574 447 T N 1.958 116.100 114.554 -0.687 0.000 2.912 447 T HA 0.498 4.847 4.350 -0.001 0.000 0.299 447 T C -0.943 173.424 174.700 -0.554 0.000 1.052 447 T CA -1.118 60.645 62.100 -0.561 0.000 0.996 447 T CB 1.658 70.125 68.868 -0.668 0.000 1.070 447 T HN 0.658 nan 8.240 nan 0.000 0.465 448 Q N 1.806 121.496 119.800 -0.183 0.000 2.263 448 Q HA 0.535 4.874 4.340 -0.001 0.000 0.266 448 Q C -1.327 174.584 176.000 -0.149 0.000 1.002 448 Q CA -0.602 55.015 55.803 -0.310 0.000 0.790 448 Q CB 2.626 31.050 28.738 -0.523 0.000 1.272 448 Q HN 0.728 nan 8.270 nan 0.000 0.435 449 I N 3.794 124.241 120.570 -0.206 0.000 2.495 449 I HA 0.357 4.526 4.170 -0.001 0.000 0.277 449 I C -0.425 175.603 176.117 -0.148 0.000 1.045 449 I CA -0.236 60.832 61.300 -0.387 0.000 1.135 449 I CB 0.490 38.103 38.000 -0.646 0.000 1.241 449 I HN 0.749 nan 8.210 nan 0.000 0.469 450 H N 3.740 122.648 119.070 -0.271 0.000 3.001 450 H HA 0.665 5.221 4.556 -0.001 0.000 0.266 450 H C -1.188 174.087 175.328 -0.088 0.000 1.532 450 H CA -1.349 54.611 56.048 -0.146 0.000 1.187 450 H CB 1.388 31.086 29.762 -0.107 0.000 1.881 450 H HN 0.083 nan 8.280 nan 0.000 0.643 451 R N 1.158 121.488 120.500 -0.283 0.000 2.514 451 R HA 0.330 4.669 4.340 -0.001 0.000 0.296 451 R C -1.640 174.462 176.300 -0.330 0.000 1.012 451 R CA -0.705 55.222 56.100 -0.288 0.000 0.897 451 R CB 1.689 31.951 30.300 -0.065 0.000 1.184 451 R HN 0.728 nan 8.270 nan 0.000 0.440 452 D N 1.025 121.212 120.400 -0.354 0.000 2.340 452 D HA 0.507 5.146 4.640 -0.001 0.000 0.240 452 D C -0.496 175.756 176.300 -0.081 0.000 1.001 452 D CA -0.539 53.328 54.000 -0.221 0.000 0.888 452 D CB 2.194 42.879 40.800 -0.192 0.000 1.310 452 D HN 0.547 nan 8.370 nan 0.000 0.474 453 A N 2.052 124.845 122.820 -0.044 0.000 2.540 453 A HA 0.313 4.632 4.320 -0.001 0.000 0.239 453 A C -0.669 176.897 177.584 -0.030 0.000 1.061 453 A CA 0.440 52.484 52.037 0.012 0.000 0.758 453 A CB -0.252 18.803 19.000 0.092 0.000 0.991 453 A HN 0.445 nan 8.150 nan 0.000 0.502 454 F N 1.602 121.363 119.950 -0.315 0.000 2.588 454 F HA 0.527 5.054 4.527 -0.001 0.000 0.310 454 F C 0.294 175.684 175.800 -0.684 0.000 1.082 454 F CA -0.181 57.478 58.000 -0.568 0.000 0.929 454 F CB 2.124 40.589 39.000 -0.891 0.000 1.254 454 F HN 0.625 nan 8.300 nan 0.000 0.455 455 S N 3.070 118.133 115.700 -1.062 0.000 2.438 455 S HA 0.466 4.936 4.470 -0.001 0.000 0.293 455 S C -1.358 172.935 174.600 -0.512 0.000 1.141 455 S CA -0.532 57.291 58.200 -0.627 0.000 1.080 455 S CB 0.217 63.159 63.200 -0.429 0.000 0.978 455 S HN 0.558 nan 8.310 nan 0.000 0.479 456 W N 2.206 123.598 121.300 0.153 0.000 2.316 456 W HA 0.572 5.231 4.660 -0.001 0.000 0.311 456 W C 1.068 177.667 176.519 0.133 0.000 1.217 456 W CA -0.602 56.897 57.345 0.257 0.000 1.199 456 W CB 0.705 30.291 29.460 0.209 0.000 1.202 456 W HN 0.998 nan 8.180 nan 0.000 0.528 457 G N 1.186 110.218 108.800 0.387 0.000 2.527 457 G HA2 0.331 4.291 3.960 -0.001 0.000 0.248 457 G HA3 0.331 4.291 3.960 -0.001 0.000 0.248 457 G C 0.996 176.027 174.900 0.217 0.000 1.231 457 G CA -0.063 45.178 45.100 0.234 0.000 0.838 457 G HN 0.804 nan 8.290 nan 0.000 0.570 458 A N 0.943 123.847 122.820 0.139 0.000 1.893 458 A HA -0.194 4.125 4.320 -0.001 0.000 0.222 458 A C 2.378 180.020 177.584 0.096 0.000 1.309 458 A CA 2.638 54.736 52.037 0.102 0.000 0.681 458 A CB -0.883 18.160 19.000 0.070 0.000 0.842 458 A HN 0.906 nan 8.150 nan 0.000 0.468 459 V N -0.163 119.808 119.914 0.096 0.000 3.406 459 V HA -0.137 3.982 4.120 -0.001 0.000 0.263 459 V C 2.274 178.409 176.094 0.068 0.000 1.172 459 V CA 1.554 63.894 62.300 0.067 0.000 1.140 459 V CB -0.663 31.196 31.823 0.059 0.000 0.784 459 V HN 0.662 nan 8.190 nan 0.000 0.467 460 Q N -0.322 119.552 119.800 0.123 0.000 2.212 460 Q HA -0.090 4.249 4.340 -0.001 0.000 0.199 460 Q C 2.036 178.015 176.000 -0.035 0.000 0.950 460 Q CA 0.691 56.564 55.803 0.116 0.000 0.863 460 Q CB -0.134 28.809 28.738 0.341 0.000 0.944 460 Q HN 0.621 nan 8.270 nan 0.000 0.465 461 Q N 0.352 120.153 119.800 0.001 0.000 2.443 461 Q HA -0.107 4.232 4.340 -0.001 0.000 0.213 461 Q C 1.862 177.792 176.000 -0.117 0.000 0.982 461 Q CA 0.689 56.415 55.803 -0.129 0.000 0.894 461 Q CB -0.048 28.685 28.738 -0.007 0.000 0.947 461 Q HN 0.158 nan 8.270 nan 0.000 0.480 462 S N -0.250 115.411 115.700 -0.065 0.000 2.453 462 S HA -0.007 4.462 4.470 -0.001 0.000 0.231 462 S C 0.714 175.269 174.600 -0.076 0.000 1.005 462 S CA 0.237 58.407 58.200 -0.050 0.000 0.949 462 S CB 0.273 63.462 63.200 -0.018 0.000 0.774 462 S HN 0.162 nan 8.310 nan 0.000 0.510 463 I N 2.635 123.132 120.570 -0.121 0.000 2.331 463 I HA 0.234 4.403 4.170 -0.001 0.000 0.292 463 I C 0.266 176.273 176.117 -0.183 0.000 0.998 463 I CA -0.762 60.460 61.300 -0.129 0.000 1.267 463 I CB 0.942 38.865 38.000 -0.129 0.000 1.386 463 I HN 0.116 nan 8.210 nan 0.000 0.476 464 D N 4.319 124.648 120.400 -0.119 0.000 2.531 464 D HA -0.092 4.547 4.640 -0.001 0.000 0.239 464 D C 1.286 177.492 176.300 -0.157 0.000 1.144 464 D CA 0.278 54.212 54.000 -0.109 0.000 0.869 464 D CB 1.111 41.886 40.800 -0.041 0.000 1.160 464 D HN 0.676 nan 8.370 nan 0.000 0.484 465 S N 4.236 119.817 115.700 -0.198 0.000 2.474 465 S HA -0.132 4.337 4.470 -0.001 0.000 0.235 465 S C 1.624 176.174 174.600 -0.084 0.000 0.997 465 S CA 0.479 58.545 58.200 -0.224 0.000 0.949 465 S CB 0.030 63.094 63.200 -0.226 0.000 0.766 465 S HN 0.525 nan 8.310 nan 0.000 0.517 466 R N 0.390 120.859 120.500 -0.052 0.000 2.189 466 R HA 0.194 4.533 4.340 -0.001 0.000 0.223 466 R C 1.776 178.053 176.300 -0.038 0.000 1.092 466 R CA 1.174 57.253 56.100 -0.036 0.000 0.989 466 R CB -0.420 29.847 30.300 -0.054 0.000 0.876 466 R HN 0.467 nan 8.270 nan 0.000 0.457 467 L N 0.371 121.568 121.223 -0.043 0.000 2.492 467 L HA 0.118 4.457 4.340 -0.001 0.000 0.223 467 L C 0.637 177.506 176.870 -0.001 0.000 1.132 467 L CA 0.226 55.050 54.840 -0.026 0.000 0.850 467 L CB 0.087 42.125 42.059 -0.036 0.000 0.966 467 L HN 0.063 nan 8.230 nan 0.000 0.454 468 I N 0.322 120.890 120.570 -0.004 0.000 2.353 468 I HA 0.248 4.418 4.170 -0.001 0.000 0.293 468 I C -0.628 175.527 176.117 0.063 0.000 0.992 468 I CA -0.401 60.922 61.300 0.039 0.000 1.268 468 I CB 1.771 39.796 38.000 0.042 0.000 1.387 468 I HN -0.293 nan 8.210 nan 0.000 0.478 469 V N 4.915 124.881 119.914 0.087 0.000 2.638 469 V HA 0.306 4.425 4.120 -0.001 0.000 0.306 469 V C -0.755 175.364 176.094 0.042 0.000 1.052 469 V CA -0.884 61.432 62.300 0.026 0.000 0.885 469 V CB 2.033 33.862 31.823 0.010 0.000 0.999 469 V HN 0.577 nan 8.190 nan 0.000 0.424 470 D N 2.723 123.091 120.400 -0.054 0.000 2.255 470 D HA 0.431 5.070 4.640 -0.001 0.000 0.249 470 D C -0.914 175.383 176.300 -0.005 0.000 1.078 470 D CA 0.172 54.198 54.000 0.043 0.000 0.896 470 D CB 1.159 41.992 40.800 0.054 0.000 1.194 470 D HN 0.447 nan 8.370 nan 0.000 0.429 471 W N 1.222 122.545 121.300 0.039 0.000 2.600 471 W HA 0.460 5.119 4.660 -0.001 0.000 0.325 471 W C 0.207 176.846 176.519 0.199 0.000 1.034 471 W CA -0.853 56.568 57.345 0.127 0.000 1.226 471 W CB 1.269 30.697 29.460 -0.054 0.000 1.379 471 W HN -0.069 nan 8.180 nan 0.000 0.466 472 R N 2.768 123.572 120.500 0.507 0.000 2.483 472 R HA 0.515 4.854 4.340 -0.001 0.000 0.303 472 R C -1.490 175.065 176.300 0.424 0.000 0.987 472 R CA -0.827 55.452 56.100 0.298 0.000 0.881 472 R CB 1.545 31.977 30.300 0.220 0.000 1.177 472 R HN 0.185 nan 8.270 nan 0.000 0.451 473 F N 2.979 122.848 119.950 -0.136 0.000 2.469 473 F HA 0.507 5.034 4.527 -0.001 0.000 0.332 473 F C -0.332 175.408 175.800 -0.100 0.000 1.103 473 F CA -1.381 56.628 58.000 0.014 0.000 0.979 473 F CB 1.084 40.017 39.000 -0.112 0.000 1.137 473 F HN 0.297 nan 8.300 nan 0.000 0.463 474 F N 1.217 121.357 119.950 0.317 0.000 2.460 474 F HA 0.622 5.148 4.527 -0.001 0.000 0.341 474 F C 0.596 176.615 175.800 0.364 0.000 1.130 474 F CA -1.286 56.908 58.000 0.323 0.000 0.962 474 F CB 1.360 40.604 39.000 0.407 0.000 1.171 474 F HN 0.513 nan 8.300 nan 0.000 0.436 475 G N 2.302 111.358 108.800 0.426 0.000 2.448 475 G HA2 0.572 4.531 3.960 -0.001 0.000 0.285 475 G HA3 0.572 4.531 3.960 -0.001 0.000 0.285 475 G C -0.666 174.427 174.900 0.322 0.000 1.176 475 G CA -0.997 44.336 45.100 0.388 0.000 0.852 475 G HN 0.723 nan 8.290 nan 0.000 0.530 476 R N -0.336 120.348 120.500 0.307 0.000 2.404 476 R HA 0.617 4.956 4.340 -0.001 0.000 0.291 476 R C -1.011 175.380 176.300 0.151 0.000 1.025 476 R CA -0.531 55.659 56.100 0.150 0.000 0.991 476 R CB 1.180 31.570 30.300 0.149 0.000 1.053 476 R HN 0.261 nan 8.270 nan 0.000 0.479 477 T N 2.736 117.343 114.554 0.089 0.000 2.786 477 T HA 0.166 4.515 4.350 -0.001 0.000 0.283 477 T C -0.776 173.996 174.700 0.121 0.000 0.992 477 T CA -0.729 61.475 62.100 0.174 0.000 0.954 477 T CB 1.268 70.312 68.868 0.293 0.000 0.934 477 T HN 0.588 nan 8.240 nan 0.000 0.440 478 E N 4.134 124.410 120.200 0.128 0.000 2.376 478 E HA 0.160 4.509 4.350 -0.001 0.000 0.266 478 E C -2.265 174.411 176.600 0.126 0.000 1.009 478 E CA -1.556 54.911 56.400 0.112 0.000 0.902 478 E CB 0.245 30.004 29.700 0.098 0.000 0.972 478 E HN 0.278 nan 8.360 nan 0.000 0.439 479 P HA 0.112 nan 4.420 nan 0.000 0.281 479 P C -0.962 176.499 177.300 0.268 0.000 1.286 479 P CA -0.078 63.159 63.100 0.228 0.000 0.772 479 P CB 0.615 32.462 31.700 0.244 0.000 0.862 480 K N 2.623 123.121 120.400 0.164 0.000 2.378 480 K HA 0.164 4.484 4.320 -0.001 0.000 0.252 480 K C 1.015 177.438 176.600 -0.294 0.000 0.931 480 K CA -0.708 55.586 56.287 0.012 0.000 0.794 480 K CB 2.194 34.664 32.500 -0.050 0.000 1.181 480 K HN 0.380 nan 8.250 nan 0.000 0.425 481 E N 2.627 122.464 120.200 -0.604 0.000 2.118 481 E HA -0.208 4.141 4.350 -0.001 0.000 0.195 481 E C 0.816 177.170 176.600 -0.411 0.000 0.992 481 E CA 1.513 57.341 56.400 -0.954 0.000 0.804 481 E CB 0.522 29.854 29.700 -0.613 0.000 0.741 481 E HN 0.625 nan 8.360 nan 0.000 0.458 482 E N 0.324 120.384 120.200 -0.233 0.000 2.347 482 E HA -0.097 4.252 4.350 -0.001 0.000 0.196 482 E C 0.053 176.600 176.600 -0.087 0.000 1.008 482 E CA 0.177 56.497 56.400 -0.132 0.000 0.852 482 E CB -0.447 29.190 29.700 -0.105 0.000 0.783 482 E HN 0.021 nan 8.360 nan 0.000 0.505 483 N N 2.391 121.032 118.700 -0.098 0.000 2.415 483 N HA 0.115 4.854 4.740 -0.001 0.000 0.250 483 N C -0.740 174.843 175.510 0.121 0.000 1.127 483 N CA 0.231 53.281 53.050 0.001 0.000 0.945 483 N CB 0.796 39.271 38.487 -0.021 0.000 1.196 483 N HN 0.152 nan 8.380 nan 0.000 0.499 484 K N 1.344 121.858 120.400 0.191 0.000 2.259 484 K HA 0.419 4.738 4.320 -0.001 0.000 0.252 484 K C -0.724 176.033 176.600 0.263 0.000 0.936 484 K CA -1.014 55.414 56.287 0.235 0.000 0.810 484 K CB 2.308 34.975 32.500 0.278 0.000 1.143 484 K HN 0.163 nan 8.250 nan 0.000 0.427 485 L N 4.498 125.828 121.223 0.178 0.000 2.280 485 L HA 0.475 4.815 4.340 -0.001 0.000 0.287 485 L C -1.040 175.740 176.870 -0.150 0.000 1.023 485 L CA -0.128 54.651 54.840 -0.101 0.000 0.819 485 L CB 0.277 42.295 42.059 -0.068 0.000 1.212 485 L HN 0.684 nan 8.230 nan 0.000 0.420 486 W N 3.686 124.713 121.300 -0.456 0.000 2.967 486 W HA 0.642 5.301 4.660 -0.001 0.000 0.342 486 W C -2.012 174.011 176.519 -0.826 0.000 1.162 486 W CA -1.288 55.804 57.345 -0.423 0.000 1.085 486 W CB 0.718 30.103 29.460 -0.125 0.000 1.460 486 W HN 0.312 nan 8.180 nan 0.000 0.584 487 F N 1.532 121.643 119.950 0.269 0.000 2.507 487 F HA 0.360 4.886 4.527 -0.001 0.000 0.325 487 F C 0.795 176.753 175.800 0.264 0.000 1.116 487 F CA -0.966 57.088 58.000 0.090 0.000 0.930 487 F CB 2.036 41.076 39.000 0.065 0.000 1.146 487 F HN 0.278 nan 8.300 nan 0.000 0.447 488 S N 0.780 116.627 115.700 0.246 0.000 2.585 488 S HA 0.129 4.599 4.470 -0.001 0.000 0.273 488 S C 0.605 175.348 174.600 0.237 0.000 1.339 488 S CA -0.478 57.898 58.200 0.294 0.000 1.028 488 S CB 0.571 63.850 63.200 0.132 0.000 0.906 488 S HN 0.711 nan 8.310 nan 0.000 0.528 489 D N 1.904 122.427 120.400 0.205 0.000 2.369 489 D HA 0.233 4.872 4.640 -0.001 0.000 0.211 489 D C 0.917 177.276 176.300 0.099 0.000 1.077 489 D CA 0.191 54.273 54.000 0.137 0.000 0.842 489 D CB 0.217 41.082 40.800 0.110 0.000 0.947 489 D HN 0.360 nan 8.370 nan 0.000 0.509 490 K N -0.414 120.048 120.400 0.104 0.000 2.410 490 K HA 0.320 4.639 4.320 -0.001 0.000 0.204 490 K C 0.221 176.863 176.600 0.069 0.000 1.268 490 K CA -0.025 56.308 56.287 0.076 0.000 0.896 490 K CB 0.612 33.156 32.500 0.074 0.000 1.401 490 K HN -0.038 nan 8.250 nan 0.000 0.479 491 I N 2.708 123.322 120.570 0.073 0.000 2.588 491 I HA 0.112 4.282 4.170 -0.001 0.000 0.283 491 I C 0.459 176.612 176.117 0.061 0.000 1.119 491 I CA 0.188 61.522 61.300 0.056 0.000 1.419 491 I CB 0.453 38.477 38.000 0.040 0.000 1.394 491 I HN 0.311 nan 8.210 nan 0.000 0.562 492 T N 1.450 116.037 114.554 0.054 0.000 2.916 492 T HA 0.591 4.940 4.350 -0.001 0.000 0.292 492 T C -0.358 174.380 174.700 0.064 0.000 1.055 492 T CA -0.946 61.194 62.100 0.066 0.000 1.009 492 T CB 2.443 71.346 68.868 0.059 0.000 1.118 492 T HN 0.545 nan 8.240 nan 0.000 0.497 493 D N 0.904 121.359 120.400 0.092 0.000 2.469 493 D HA 0.462 5.101 4.640 -0.001 0.000 0.278 493 D C 1.563 177.907 176.300 0.075 0.000 1.231 493 D CA -0.399 53.663 54.000 0.103 0.000 1.075 493 D CB -0.064 40.839 40.800 0.172 0.000 1.121 493 D HN 0.668 nan 8.370 nan 0.000 0.571 494 A N -1.569 121.289 122.820 0.063 0.000 2.119 494 A HA -0.050 4.270 4.320 -0.001 0.000 0.217 494 A C 0.940 178.353 177.584 -0.285 0.000 1.153 494 A CA 0.660 52.627 52.037 -0.116 0.000 0.692 494 A CB -0.830 18.068 19.000 -0.169 0.000 0.799 494 A HN 0.523 nan 8.150 nan 0.000 0.458 495 Y N -0.955 119.367 120.300 0.037 0.000 2.720 495 Y HA 0.242 4.791 4.550 -0.001 0.000 0.277 495 Y C 0.610 176.544 175.900 0.057 0.000 1.144 495 Y CA -0.549 57.577 58.100 0.043 0.000 1.221 495 Y CB -0.493 37.975 38.460 0.012 0.000 1.163 495 Y HN 0.402 nan 8.280 nan 0.000 0.537 496 N N 0.332 119.105 118.700 0.121 0.000 2.710 496 N HA -0.192 4.547 4.740 -0.001 0.000 0.249 496 N C -0.597 174.969 175.510 0.093 0.000 1.059 496 N CA 0.655 53.758 53.050 0.088 0.000 0.720 496 N CB -0.369 38.156 38.487 0.064 0.000 0.983 496 N HN 0.203 nan 8.380 nan 0.000 0.544 497 M N -0.440 119.231 119.600 0.118 0.000 2.654 497 M HA 0.429 4.909 4.480 -0.001 0.000 0.310 497 M C -2.109 174.253 176.300 0.102 0.000 1.211 497 M CA -2.040 53.313 55.300 0.089 0.000 0.947 497 M CB 0.569 33.220 32.600 0.084 0.000 1.647 497 M HN -0.266 nan 8.290 nan 0.000 0.481 498 P HA 0.001 nan 4.420 nan 0.000 0.262 498 P C -0.659 176.789 177.300 0.247 0.000 1.182 498 P CA 0.065 63.258 63.100 0.154 0.000 0.761 498 P CB 0.228 32.024 31.700 0.160 0.000 0.795 499 Q N 6.626 126.529 119.800 0.172 0.000 2.293 499 Q HA 0.200 4.539 4.340 -0.001 0.000 0.263 499 Q C -2.284 173.701 176.000 -0.025 0.000 1.002 499 Q CA -2.221 53.635 55.803 0.087 0.000 0.910 499 Q CB -0.238 28.501 28.738 0.002 0.000 1.185 499 Q HN 0.285 nan 8.270 nan 0.000 0.401 500 P HA 0.069 nan 4.420 nan 0.000 0.268 500 P C -0.983 175.844 177.300 -0.789 0.000 1.205 500 P CA -0.016 62.693 63.100 -0.651 0.000 0.771 500 P CB 0.854 32.257 31.700 -0.495 0.000 0.858 501 T N 3.019 116.867 114.554 -1.176 0.000 3.011 501 T HA 0.449 4.798 4.350 -0.001 0.000 0.303 501 T C -0.708 173.311 174.700 -1.136 0.000 0.997 501 T CA -0.134 61.284 62.100 -1.137 0.000 1.007 501 T CB 0.239 68.165 68.868 -1.569 0.000 1.017 501 T HN 0.023 nan 8.240 nan 0.000 0.443 502 F N 2.227 121.898 119.950 -0.464 0.000 2.399 502 F HA 0.482 5.009 4.527 -0.001 0.000 0.334 502 F C 0.796 176.531 175.800 -0.107 0.000 1.097 502 F CA -0.932 56.915 58.000 -0.256 0.000 1.076 502 F CB 0.988 39.890 39.000 -0.164 0.000 1.162 502 F HN 0.377 nan 8.300 nan 0.000 0.495 503 D N 3.930 124.482 120.400 0.253 0.000 2.438 503 D HA 0.204 4.843 4.640 -0.001 0.000 0.257 503 D C -1.719 174.723 176.300 0.237 0.000 1.148 503 D CA -0.089 54.062 54.000 0.253 0.000 0.902 503 D CB 0.291 41.277 40.800 0.311 0.000 1.062 503 D HN 0.323 nan 8.370 nan 0.000 0.518 504 F N 3.134 123.082 119.950 -0.004 0.000 2.569 504 F HA 0.560 5.086 4.527 -0.001 0.000 0.312 504 F C -1.050 174.647 175.800 -0.171 0.000 1.109 504 F CA -0.663 57.269 58.000 -0.114 0.000 0.919 504 F CB 1.424 40.291 39.000 -0.221 0.000 1.211 504 F HN 0.002 nan 8.300 nan 0.000 0.446 505 R N 4.477 124.408 120.500 -0.949 0.000 2.673 505 R HA 0.335 4.674 4.340 -0.001 0.000 0.281 505 R C -1.638 173.958 176.300 -1.174 0.000 0.991 505 R CA -0.954 54.679 56.100 -0.777 0.000 0.896 505 R CB 1.804 31.904 30.300 -0.332 0.000 1.201 505 R HN 0.581 nan 8.270 nan 0.000 0.457 506 F N 3.368 123.034 119.950 -0.474 0.000 2.557 506 F HA 0.135 4.662 4.527 -0.001 0.000 0.384 506 F C -1.334 174.337 175.800 -0.215 0.000 1.057 506 F CA -1.076 56.776 58.000 -0.246 0.000 1.169 506 F CB -0.186 38.796 39.000 -0.030 0.000 1.070 506 F HN 0.116 nan 8.300 nan 0.000 0.554 507 P HA 0.162 nan 4.420 nan 0.000 0.268 507 P C -0.415 176.893 177.300 0.013 0.000 1.204 507 P CA -0.253 62.816 63.100 -0.051 0.000 0.768 507 P CB 0.620 32.306 31.700 -0.023 0.000 0.842 508 A N 2.839 125.656 122.820 -0.005 0.000 2.409 508 A HA 0.546 4.865 4.320 -0.001 0.000 0.246 508 A C 1.073 178.672 177.584 0.024 0.000 1.099 508 A CA 0.868 52.911 52.037 0.009 0.000 0.789 508 A CB -1.027 17.971 19.000 -0.004 0.000 1.053 508 A HN 0.848 nan 8.150 nan 0.000 0.503 509 G N -0.306 108.511 108.800 0.029 0.000 2.484 509 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.225 509 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.225 509 G C 0.900 175.834 174.900 0.057 0.000 1.250 509 G CA 0.656 45.779 45.100 0.040 0.000 0.926 509 G HN 0.989 nan 8.290 nan 0.000 0.581 510 R N -0.472 120.069 120.500 0.067 0.000 2.113 510 R HA -0.129 4.210 4.340 -0.001 0.000 0.244 510 R C 2.823 179.186 176.300 0.105 0.000 1.142 510 R CA 2.871 59.023 56.100 0.086 0.000 0.953 510 R CB -0.923 29.431 30.300 0.089 0.000 0.860 510 R HN 0.631 nan 8.270 nan 0.000 0.438 511 T N -0.137 114.480 114.554 0.105 0.000 2.720 511 T HA -0.108 4.241 4.350 -0.001 0.000 0.268 511 T C 1.893 176.653 174.700 0.100 0.000 1.037 511 T CA 1.768 63.946 62.100 0.129 0.000 1.144 511 T CB -0.114 68.846 68.868 0.153 0.000 0.864 511 T HN 0.278 nan 8.240 nan 0.000 0.444 512 S N 0.404 116.145 115.700 0.068 0.000 2.362 512 S HA 0.014 4.483 4.470 -0.001 0.000 0.221 512 S C 1.992 176.609 174.600 0.028 0.000 1.032 512 S CA 0.831 59.044 58.200 0.022 0.000 0.973 512 S CB -0.159 63.047 63.200 0.011 0.000 0.849 512 S HN 0.493 nan 8.310 nan 0.000 0.465 513 K N 1.519 121.951 120.400 0.053 0.000 2.015 513 K HA -0.212 4.107 4.320 -0.001 0.000 0.216 513 K C 1.911 178.577 176.600 0.111 0.000 1.052 513 K CA 1.833 58.163 56.287 0.071 0.000 0.937 513 K CB -0.242 32.306 32.500 0.078 0.000 0.719 513 K HN 0.337 nan 8.250 nan 0.000 0.446 514 E N -0.264 120.033 120.200 0.162 0.000 2.130 514 E HA -0.232 4.117 4.350 -0.001 0.000 0.196 514 E C 1.947 178.648 176.600 0.168 0.000 0.998 514 E CA 1.092 57.654 56.400 0.270 0.000 0.806 514 E CB -0.158 29.732 29.700 0.316 0.000 0.738 514 E HN 0.503 nan 8.360 nan 0.000 0.459 515 A N 1.266 124.148 122.820 0.103 0.000 1.898 515 A HA -0.233 4.086 4.320 -0.001 0.000 0.216 515 A C 2.074 179.727 177.584 0.114 0.000 1.181 515 A CA 1.760 53.851 52.037 0.090 0.000 0.620 515 A CB -0.319 18.673 19.000 -0.013 0.000 0.819 515 A HN 0.171 nan 8.150 nan 0.000 0.442 516 E N 0.463 120.705 120.200 0.071 0.000 2.076 516 E HA -0.139 4.210 4.350 -0.001 0.000 0.190 516 E C 1.307 177.886 176.600 -0.036 0.000 0.979 516 E CA 1.425 57.866 56.400 0.069 0.000 0.807 516 E CB -0.321 29.398 29.700 0.031 0.000 0.761 516 E HN 0.469 nan 8.360 nan 0.000 0.454 517 D N 0.188 120.567 120.400 -0.035 0.000 2.158 517 D HA -0.226 4.413 4.640 -0.001 0.000 0.197 517 D C 1.913 177.937 176.300 -0.460 0.000 0.995 517 D CA 1.526 55.483 54.000 -0.073 0.000 0.846 517 D CB -0.343 40.559 40.800 0.170 0.000 0.941 517 D HN 0.348 nan 8.370 nan 0.000 0.456 518 M N -0.413 118.702 119.600 -0.809 0.000 2.099 518 M HA -0.192 4.287 4.480 -0.001 0.000 0.262 518 M C 2.088 177.947 176.300 -0.734 0.000 1.067 518 M CA 1.256 55.737 55.300 -1.365 0.000 1.124 518 M CB -0.024 32.032 32.600 -0.906 0.000 1.353 518 M HN -0.015 nan 8.290 nan 0.000 0.410 519 M N 0.463 119.769 119.600 -0.490 0.000 2.073 519 M HA -0.185 4.294 4.480 -0.001 0.000 0.258 519 M C 1.791 177.868 176.300 -0.372 0.000 1.070 519 M CA 2.599 57.620 55.300 -0.465 0.000 1.103 519 M CB -1.071 31.324 32.600 -0.341 0.000 1.321 519 M HN 0.307 nan 8.290 nan 0.000 0.405 520 T N -0.055 114.352 114.554 -0.246 0.000 2.720 520 T HA -0.184 4.166 4.350 -0.001 0.000 0.268 520 T C 1.504 176.118 174.700 -0.143 0.000 1.037 520 T CA 1.870 63.880 62.100 -0.151 0.000 1.144 520 T CB -0.679 68.146 68.868 -0.071 0.000 0.864 520 T HN 0.596 nan 8.240 nan 0.000 0.444 521 D N 0.403 120.717 120.400 -0.143 0.000 2.144 521 D HA -0.072 4.567 4.640 -0.001 0.000 0.199 521 D C 2.072 178.306 176.300 -0.109 0.000 0.984 521 D CA 0.840 54.851 54.000 0.019 0.000 0.834 521 D CB -0.199 40.738 40.800 0.228 0.000 0.955 521 D HN 0.299 nan 8.370 nan 0.000 0.465 522 M N -0.483 118.794 119.600 -0.538 0.000 2.132 522 M HA -0.167 4.312 4.480 -0.001 0.000 0.263 522 M C 1.956 177.939 176.300 -0.528 0.000 1.065 522 M CA 1.298 56.042 55.300 -0.928 0.000 1.122 522 M CB -0.177 31.666 32.600 -1.261 0.000 1.365 522 M HN 0.219 nan 8.290 nan 0.000 0.411 523 C N -0.217 118.885 119.300 -0.329 0.000 2.398 523 C HA -0.151 4.308 4.460 -0.001 0.000 0.276 523 C C 2.668 177.547 174.990 -0.185 0.000 1.222 523 C CA 1.054 59.991 59.018 -0.135 0.000 1.746 523 C CB -1.177 26.540 27.740 -0.038 0.000 2.039 523 C HN 0.507 nan 8.230 nan 0.000 0.470 524 V N 0.524 120.359 119.914 -0.133 0.000 2.244 524 V HA -0.297 3.822 4.120 -0.001 0.000 0.244 524 V C 2.412 178.463 176.094 -0.072 0.000 1.042 524 V CA 2.376 64.631 62.300 -0.076 0.000 1.006 524 V CB -0.719 31.114 31.823 0.017 0.000 0.641 524 V HN 0.586 nan 8.190 nan 0.000 0.446 525 M N 0.802 120.401 119.600 -0.003 0.000 2.117 525 M HA -0.179 4.300 4.480 -0.001 0.000 0.262 525 M C 2.421 178.579 176.300 -0.237 0.000 1.065 525 M CA 2.372 57.748 55.300 0.126 0.000 1.114 525 M CB -0.207 32.631 32.600 0.396 0.000 1.361 525 M HN 0.569 nan 8.290 nan 0.000 0.408 526 S N 0.454 115.696 115.700 -0.763 0.000 2.383 526 S HA -0.041 4.428 4.470 -0.001 0.000 0.227 526 S C 2.053 176.272 174.600 -0.636 0.000 1.026 526 S CA 0.919 58.303 58.200 -1.359 0.000 0.981 526 S CB -0.892 61.335 63.200 -1.622 0.000 0.818 526 S HN 0.581 nan 8.310 nan 0.000 0.472 527 A N 1.909 124.437 122.820 -0.487 0.000 2.093 527 A HA -0.131 4.188 4.320 -0.001 0.000 0.222 527 A C 2.171 179.625 177.584 -0.217 0.000 1.162 527 A CA 1.775 53.589 52.037 -0.371 0.000 0.655 527 A CB -0.637 18.175 19.000 -0.312 0.000 0.805 527 A HN 0.669 nan 8.150 nan 0.000 0.461 528 K N -1.005 119.309 120.400 -0.143 0.000 2.365 528 K HA 0.122 4.442 4.320 -0.001 0.000 0.197 528 K C 1.115 177.713 176.600 -0.004 0.000 1.042 528 K CA 0.485 56.737 56.287 -0.059 0.000 0.987 528 K CB 0.106 32.601 32.500 -0.008 0.000 0.779 528 K HN 0.387 nan 8.250 nan 0.000 0.484 529 I N -0.478 120.116 120.570 0.039 0.000 3.265 529 I HA 0.158 4.327 4.170 -0.001 0.000 0.282 529 I C 0.991 177.133 176.117 0.043 0.000 1.207 529 I CA 0.474 61.842 61.300 0.113 0.000 1.449 529 I CB 0.063 38.273 38.000 0.351 0.000 1.121 529 I HN 0.084 nan 8.210 nan 0.000 0.442 530 G N -0.620 108.150 108.800 -0.049 0.000 2.340 530 G HA2 0.432 4.391 3.960 -0.001 0.000 0.298 530 G HA3 0.432 4.391 3.960 -0.001 0.000 0.298 530 G C -0.560 174.202 174.900 -0.229 0.000 1.498 530 G CA -0.252 44.794 45.100 -0.089 0.000 0.847 530 G HN 0.262 nan 8.290 nan 0.000 0.594 531 G N -1.029 107.636 108.800 -0.225 0.000 2.562 531 G HA2 0.585 4.545 3.960 -0.001 0.000 0.275 531 G HA3 0.585 4.545 3.960 -0.001 0.000 0.275 531 G C -0.249 174.496 174.900 -0.258 0.000 1.196 531 G CA -0.574 44.308 45.100 -0.363 0.000 0.908 531 G HN 0.470 nan 8.290 nan 0.000 0.524 532 F N -0.754 119.116 119.950 -0.133 0.000 2.506 532 F HA 0.236 4.763 4.527 -0.001 0.000 0.351 532 F C 0.643 176.392 175.800 -0.085 0.000 1.136 532 F CA -0.746 57.172 58.000 -0.137 0.000 1.298 532 F CB 0.841 39.749 39.000 -0.152 0.000 1.145 532 F HN 0.163 nan 8.300 nan 0.000 0.593 533 L N 5.751 127.058 121.223 0.141 0.000 2.278 533 L HA 0.477 4.817 4.340 -0.001 0.000 0.287 533 L C -2.496 174.417 176.870 0.073 0.000 1.072 533 L CA -2.204 52.682 54.840 0.077 0.000 0.819 533 L CB 0.283 42.380 42.059 0.063 0.000 1.176 533 L HN 0.266 nan 8.230 nan 0.000 0.435 534 P HA 0.216 nan 4.420 nan 0.000 0.265 534 P C 0.658 178.005 177.300 0.078 0.000 1.187 534 P CA 0.991 64.126 63.100 0.059 0.000 0.766 534 P CB 0.673 32.404 31.700 0.050 0.000 0.820 535 G N 1.874 110.715 108.800 0.069 0.000 2.234 535 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.260 535 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.260 535 G C 0.482 175.462 174.900 0.132 0.000 0.987 535 G CA 0.301 45.463 45.100 0.104 0.000 0.625 535 G HN 0.534 nan 8.290 nan 0.000 0.532 536 S N 0.757 116.503 115.700 0.077 0.000 2.422 536 S HA 0.537 5.006 4.470 -0.001 0.000 0.226 536 S C 0.384 174.884 174.600 -0.167 0.000 1.242 536 S CA -0.533 57.689 58.200 0.037 0.000 1.231 536 S CB 0.314 63.522 63.200 0.013 0.000 1.067 536 S HN 0.447 nan 8.310 nan 0.000 0.462 537 L N 3.102 124.218 121.223 -0.179 0.000 2.436 537 L HA 0.356 4.696 4.340 -0.001 0.000 0.265 537 L C -1.896 174.686 176.870 -0.480 0.000 1.168 537 L CA -2.255 52.349 54.840 -0.392 0.000 0.815 537 L CB 0.242 42.140 42.059 -0.268 0.000 1.109 537 L HN 0.107 nan 8.230 nan 0.000 0.462 538 P HA -0.044 nan 4.420 nan 0.000 0.260 538 P C -1.454 175.625 177.300 -0.368 0.000 1.185 538 P CA 0.246 62.979 63.100 -0.612 0.000 0.763 538 P CB 0.433 31.680 31.700 -0.754 0.000 0.776 539 Q N 2.218 121.842 119.800 -0.292 0.000 2.482 539 Q HA 0.470 4.809 4.340 -0.001 0.000 0.286 539 Q C -1.384 174.476 176.000 -0.232 0.000 1.007 539 Q CA -0.960 54.747 55.803 -0.159 0.000 0.801 539 Q CB 0.757 29.468 28.738 -0.044 0.000 1.455 539 Q HN 0.118 nan 8.270 nan 0.000 0.398 540 F N 1.394 121.291 119.950 -0.089 0.000 2.443 540 F HA 0.292 4.818 4.527 -0.001 0.000 0.353 540 F C 0.584 176.358 175.800 -0.044 0.000 1.101 540 F CA -0.252 57.699 58.000 -0.082 0.000 1.226 540 F CB 0.916 39.857 39.000 -0.099 0.000 1.140 540 F HN 0.390 nan 8.300 nan 0.000 0.557 541 M N 2.045 121.707 119.600 0.105 0.000 2.291 541 M HA 0.181 4.661 4.480 -0.001 0.000 0.324 541 M C 0.152 176.493 176.300 0.069 0.000 1.148 541 M CA -0.818 54.510 55.300 0.046 0.000 1.104 541 M CB 0.583 33.166 32.600 -0.028 0.000 1.483 541 M HN 0.466 nan 8.290 nan 0.000 0.467 542 E N 1.779 121.994 120.200 0.026 0.000 2.502 542 E HA 0.056 4.405 4.350 -0.001 0.000 0.261 542 E C -2.241 174.380 176.600 0.034 0.000 0.974 542 E CA -1.199 55.215 56.400 0.023 0.000 0.936 542 E CB -0.593 29.097 29.700 -0.017 0.000 0.926 542 E HN 0.245 nan 8.360 nan 0.000 0.459 543 P HA 0.005 nan 4.420 nan 0.000 0.263 543 P C 0.810 178.044 177.300 -0.111 0.000 1.195 543 P CA 0.980 64.119 63.100 0.065 0.000 0.762 543 P CB 0.460 32.201 31.700 0.068 0.000 0.799 544 G N 2.731 111.463 108.800 -0.114 0.000 2.234 544 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.260 544 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.260 544 G C 0.810 175.652 174.900 -0.097 0.000 0.987 544 G CA 0.312 45.303 45.100 -0.181 0.000 0.625 544 G HN 0.551 nan 8.290 nan 0.000 0.532 545 L N 1.021 122.203 121.223 -0.069 0.000 2.129 545 L HA 0.070 4.409 4.340 -0.001 0.000 0.212 545 L C 2.798 179.632 176.870 -0.060 0.000 1.087 545 L CA 2.683 57.484 54.840 -0.065 0.000 0.757 545 L CB -0.389 41.627 42.059 -0.072 0.000 0.896 545 L HN 0.530 nan 8.230 nan 0.000 0.434 546 V N 0.171 120.051 119.914 -0.057 0.000 2.546 546 V HA -0.240 3.879 4.120 -0.001 0.000 0.254 546 V C 1.626 177.637 176.094 -0.139 0.000 1.076 546 V CA 1.552 63.797 62.300 -0.092 0.000 1.087 546 V CB -0.437 31.361 31.823 -0.041 0.000 0.674 546 V HN 0.534 nan 8.190 nan 0.000 0.470 547 L N -0.115 121.090 121.223 -0.030 0.000 3.678 547 L HA -0.259 4.081 4.340 -0.001 0.000 0.425 547 L C 0.309 177.308 176.870 0.215 0.000 1.240 547 L CA 0.944 55.824 54.840 0.066 0.000 0.876 547 L CB -2.485 39.635 42.059 0.103 0.000 1.766 547 L HN 0.591 nan 8.230 nan 0.000 0.917 548 H N -0.721 118.453 119.070 0.173 0.000 2.505 548 H HA 0.274 4.829 4.556 -0.001 0.000 0.260 548 H C 0.439 175.897 175.328 0.216 0.000 1.168 548 H CA -1.124 55.067 56.048 0.239 0.000 0.945 548 H CB 0.744 30.693 29.762 0.312 0.000 1.800 548 H HN 0.174 nan 8.280 nan 0.000 0.586 549 L N 1.941 123.301 121.223 0.229 0.000 2.540 549 L HA 0.205 4.544 4.340 -0.001 0.000 0.276 549 L C 0.632 177.635 176.870 0.223 0.000 1.212 549 L CA 0.776 55.702 54.840 0.144 0.000 0.893 549 L CB 0.291 42.400 42.059 0.083 0.000 1.138 549 L HN 0.326 nan 8.230 nan 0.000 0.491 550 G N 1.943 110.887 108.800 0.240 0.000 2.818 550 G HA2 0.521 4.481 3.960 -0.001 0.000 0.286 550 G HA3 0.521 4.481 3.960 -0.001 0.000 0.286 550 G C 0.344 175.346 174.900 0.170 0.000 1.364 550 G CA -0.298 44.959 45.100 0.262 0.000 0.938 550 G HN 1.307 nan 8.290 nan 0.000 0.490 551 G N -1.160 107.707 108.800 0.111 0.000 2.187 551 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.261 551 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.261 551 G C 1.314 176.265 174.900 0.086 0.000 1.000 551 G CA 1.848 47.006 45.100 0.096 0.000 0.718 551 G HN 1.810 nan 8.290 nan 0.000 0.519 552 T N -2.261 112.303 114.554 0.016 0.000 2.962 552 T HA 0.046 4.395 4.350 -0.001 0.000 0.270 552 T C 1.097 175.887 174.700 0.149 0.000 1.088 552 T CA 1.858 64.018 62.100 0.100 0.000 1.127 552 T CB -0.272 68.670 68.868 0.123 0.000 0.883 552 T HN 1.434 nan 8.240 nan 0.000 0.493 553 H N -0.149 118.993 119.070 0.119 0.000 2.597 553 H HA 0.479 5.034 4.556 -0.001 0.000 0.225 553 H C -0.079 175.286 175.328 0.063 0.000 1.422 553 H CA -1.341 54.753 56.048 0.077 0.000 1.335 553 H CB -0.212 29.562 29.762 0.019 0.000 1.783 553 H HN 0.345 nan 8.280 nan 0.000 0.513 554 R N 0.860 121.432 120.500 0.119 0.000 2.679 554 R HA 0.300 4.639 4.340 -0.001 0.000 0.269 554 R C -0.248 176.096 176.300 0.075 0.000 1.076 554 R CA -0.739 55.402 56.100 0.068 0.000 1.160 554 R CB 0.979 31.319 30.300 0.066 0.000 1.054 554 R HN 0.501 nan 8.270 nan 0.000 0.507 555 M N 0.979 120.600 119.600 0.036 0.000 2.288 555 M HA 0.474 4.953 4.480 -0.001 0.000 0.334 555 M C -0.515 175.772 176.300 -0.021 0.000 1.150 555 M CA 0.279 55.577 55.300 -0.004 0.000 1.118 555 M CB 1.622 34.195 32.600 -0.045 0.000 1.501 555 M HN 0.926 nan 8.290 nan 0.000 0.462 556 G N 1.897 110.679 108.800 -0.029 0.000 2.489 556 G HA2 0.374 4.333 3.960 -0.001 0.000 0.291 556 G HA3 0.374 4.333 3.960 -0.001 0.000 0.291 556 G C -0.902 174.009 174.900 0.018 0.000 1.487 556 G CA -0.764 44.297 45.100 -0.065 0.000 0.795 556 G HN 0.695 nan 8.290 nan 0.000 0.513 557 F N 0.015 120.060 119.950 0.159 0.000 2.186 557 F HA 0.186 4.713 4.527 -0.001 0.000 0.299 557 F C 1.305 177.221 175.800 0.193 0.000 1.090 557 F CA 1.230 59.323 58.000 0.155 0.000 1.307 557 F CB 0.465 39.516 39.000 0.085 0.000 1.019 557 F HN 0.313 nan 8.300 nan 0.000 0.489 558 D N -0.577 119.984 120.400 0.268 0.000 2.757 558 D HA 0.051 4.690 4.640 -0.001 0.000 0.249 558 D C 0.608 176.755 176.300 -0.255 0.000 1.168 558 D CA -0.128 53.864 54.000 -0.015 0.000 0.870 558 D CB 1.832 42.641 40.800 0.015 0.000 1.411 558 D HN 0.197 nan 8.370 nan 0.000 0.525 559 E N 3.456 123.161 120.200 -0.824 0.000 2.058 559 E HA -0.234 4.115 4.350 -0.001 0.000 0.194 559 E C 1.428 177.876 176.600 -0.253 0.000 0.997 559 E CA 1.297 57.252 56.400 -0.742 0.000 0.801 559 E CB 0.301 29.381 29.700 -1.033 0.000 0.746 559 E HN 0.391 nan 8.360 nan 0.000 0.450 560 K N 0.026 120.305 120.400 -0.201 0.000 2.098 560 K HA -0.085 4.234 4.320 -0.001 0.000 0.203 560 K C 1.973 178.544 176.600 -0.049 0.000 1.051 560 K CA 1.121 57.356 56.287 -0.086 0.000 0.957 560 K CB 0.119 32.578 32.500 -0.068 0.000 0.738 560 K HN 0.101 nan 8.250 nan 0.000 0.447 561 E N 0.243 120.414 120.200 -0.048 0.000 2.208 561 E HA -0.105 4.245 4.350 -0.001 0.000 0.193 561 E C 0.470 177.070 176.600 -0.000 0.000 0.988 561 E CA 0.805 57.200 56.400 -0.009 0.000 0.828 561 E CB 0.251 29.956 29.700 0.008 0.000 0.763 561 E HN 0.355 nan 8.360 nan 0.000 0.478 562 D N 0.303 120.696 120.400 -0.011 0.000 2.440 562 D HA 0.058 4.697 4.640 -0.001 0.000 0.216 562 D C -0.670 175.570 176.300 -0.100 0.000 1.150 562 D CA -0.075 53.916 54.000 -0.015 0.000 0.832 562 D CB 0.206 41.036 40.800 0.051 0.000 0.992 562 D HN 0.049 nan 8.370 nan 0.000 0.502 563 N N 0.864 119.504 118.700 -0.100 0.000 2.669 563 N HA -0.193 4.546 4.740 -0.001 0.000 0.266 563 N C -0.298 175.128 175.510 -0.141 0.000 1.024 563 N CA 0.607 53.567 53.050 -0.150 0.000 0.766 563 N CB -1.504 36.750 38.487 -0.390 0.000 0.898 563 N HN 0.399 nan 8.380 nan 0.000 0.548 564 C N -3.290 116.018 119.300 0.013 0.000 3.044 564 C HA 0.757 5.217 4.460 -0.001 0.000 0.315 564 C C 1.473 176.626 174.990 0.271 0.000 1.320 564 C CA -0.812 58.280 59.018 0.123 0.000 1.582 564 C CB 1.535 29.378 27.740 0.172 0.000 2.039 564 C HN 0.527 nan 8.230 nan 0.000 0.466 565 C N 0.490 119.954 119.300 0.273 0.000 3.188 565 C HA 0.475 4.934 4.460 -0.001 0.000 0.315 565 C C 0.733 175.811 174.990 0.147 0.000 1.285 565 C CA 0.393 59.582 59.018 0.285 0.000 1.729 565 C CB -0.986 26.858 27.740 0.174 0.000 2.257 565 C HN 0.942 nan 8.230 nan 0.000 0.645 566 V N 0.834 120.738 119.914 -0.018 0.000 2.962 566 V HA 0.716 4.835 4.120 -0.001 0.000 0.313 566 V C -0.899 174.857 176.094 -0.565 0.000 1.099 566 V CA -0.680 61.370 62.300 -0.416 0.000 0.971 566 V CB 1.610 33.313 31.823 -0.199 0.000 1.028 566 V HN 0.339 nan 8.190 nan 0.000 0.430 567 N N 0.740 118.956 118.700 -0.807 0.000 2.418 567 N HA 0.274 5.013 4.740 -0.001 0.000 0.283 567 N C 1.068 176.433 175.510 -0.241 0.000 1.267 567 N CA 0.239 53.025 53.050 -0.441 0.000 0.975 567 N CB 0.098 38.364 38.487 -0.370 0.000 1.167 567 N HN 0.966 nan 8.380 nan 0.000 0.581 568 T N -4.604 109.847 114.554 -0.172 0.000 3.098 568 T HA -0.033 4.316 4.350 -0.001 0.000 0.266 568 T C 0.072 174.680 174.700 -0.154 0.000 1.145 568 T CA 0.781 62.774 62.100 -0.178 0.000 1.092 568 T CB -0.411 68.365 68.868 -0.152 0.000 0.908 568 T HN 0.460 nan 8.240 nan 0.000 0.526 569 D N 0.972 121.276 120.400 -0.160 0.000 2.340 569 D HA 0.201 4.840 4.640 -0.001 0.000 0.217 569 D C 0.569 176.875 176.300 0.010 0.000 1.081 569 D CA 0.088 54.018 54.000 -0.116 0.000 0.842 569 D CB 0.082 40.694 40.800 -0.313 0.000 0.934 569 D HN 0.333 nan 8.370 nan 0.000 0.511 570 S N 0.319 115.989 115.700 -0.050 0.000 3.521 570 S HA -0.267 4.202 4.470 -0.001 0.000 0.328 570 S C 0.560 175.168 174.600 0.012 0.000 1.165 570 S CA 0.467 58.673 58.200 0.011 0.000 0.941 570 S CB -1.373 61.904 63.200 0.128 0.000 0.951 570 S HN 0.475 nan 8.310 nan 0.000 0.539 571 R N 1.000 121.398 120.500 -0.171 0.000 2.357 571 R HA 0.476 4.815 4.340 -0.001 0.000 0.296 571 R C 0.030 176.038 176.300 -0.487 0.000 1.052 571 R CA -0.436 55.395 56.100 -0.448 0.000 0.988 571 R CB 0.680 30.692 30.300 -0.480 0.000 1.025 571 R HN 0.139 nan 8.270 nan 0.000 0.469 572 V N 5.867 125.521 119.914 -0.434 0.000 2.585 572 V HA 0.006 4.125 4.120 -0.001 0.000 0.296 572 V C 0.195 176.225 176.094 -0.106 0.000 1.035 572 V CA 0.289 62.411 62.300 -0.295 0.000 1.084 572 V CB 0.047 31.671 31.823 -0.331 0.000 0.953 572 V HN 0.560 nan 8.190 nan 0.000 0.483 573 F N 3.415 123.420 119.950 0.093 0.000 2.563 573 F HA 0.442 4.969 4.527 -0.001 0.000 0.363 573 F C 1.561 177.512 175.800 0.251 0.000 1.123 573 F CA 1.409 59.486 58.000 0.128 0.000 1.307 573 F CB 0.250 39.314 39.000 0.106 0.000 1.115 573 F HN 0.769 nan 8.300 nan 0.000 0.592 574 G N 1.909 110.908 108.800 0.332 0.000 2.284 574 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.247 574 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.247 574 G C -0.062 174.813 174.900 -0.043 0.000 1.012 574 G CA -0.336 44.839 45.100 0.126 0.000 0.618 574 G HN 0.420 nan 8.290 nan 0.000 0.521 575 F N 1.242 121.225 119.950 0.055 0.000 2.427 575 F HA 0.605 5.131 4.527 -0.001 0.000 0.346 575 F C 1.404 177.203 175.800 -0.001 0.000 1.120 575 F CA -1.039 56.977 58.000 0.028 0.000 1.033 575 F CB 1.606 40.620 39.000 0.023 0.000 1.126 575 F HN -0.237 nan 8.300 nan 0.000 0.462 576 K N 1.814 122.336 120.400 0.205 0.000 2.280 576 K HA -0.108 4.212 4.320 -0.001 0.000 0.202 576 K C 0.669 177.497 176.600 0.380 0.000 1.047 576 K CA 1.079 57.522 56.287 0.259 0.000 0.942 576 K CB -0.072 32.585 32.500 0.262 0.000 0.739 576 K HN 0.708 nan 8.250 nan 0.000 0.457 577 N N -0.437 118.415 118.700 0.253 0.000 2.286 577 N HA 0.008 4.747 4.740 -0.001 0.000 0.245 577 N C -0.778 174.778 175.510 0.077 0.000 1.363 577 N CA -0.328 52.895 53.050 0.288 0.000 0.822 577 N CB -0.202 38.524 38.487 0.398 0.000 1.345 577 N HN -0.074 nan 8.380 nan 0.000 0.494 578 L N 0.869 121.924 121.223 -0.280 0.000 2.325 578 L HA 0.715 5.055 4.340 -0.001 0.000 0.281 578 L C -1.787 174.700 176.870 -0.637 0.000 1.004 578 L CA -0.554 54.111 54.840 -0.292 0.000 0.823 578 L CB 0.814 42.686 42.059 -0.311 0.000 1.236 578 L HN -0.005 nan 8.230 nan 0.000 0.415 579 F N 4.895 124.763 119.950 -0.138 0.000 2.576 579 F HA 0.665 5.191 4.527 -0.001 0.000 0.313 579 F C -0.656 174.997 175.800 -0.244 0.000 1.078 579 F CA -0.689 57.216 58.000 -0.159 0.000 0.921 579 F CB 1.924 40.859 39.000 -0.108 0.000 1.232 579 F HN 0.176 nan 8.300 nan 0.000 0.459 580 L N 1.853 123.057 121.223 -0.032 0.000 2.365 580 L HA 0.894 5.233 4.340 -0.001 0.000 0.273 580 L C -0.113 176.787 176.870 0.049 0.000 1.000 580 L CA -0.839 53.914 54.840 -0.145 0.000 0.819 580 L CB 2.028 43.874 42.059 -0.356 0.000 1.284 580 L HN 0.786 nan 8.230 nan 0.000 0.418 581 G N 0.419 109.261 108.800 0.071 0.000 2.591 581 G HA2 0.802 4.761 3.960 -0.001 0.000 0.306 581 G HA3 0.802 4.761 3.960 -0.001 0.000 0.306 581 G C -0.648 174.375 174.900 0.205 0.000 1.334 581 G CA -0.389 44.846 45.100 0.226 0.000 0.981 581 G HN 0.951 nan 8.290 nan 0.000 0.491 582 G N -1.197 107.713 108.800 0.184 0.000 2.347 582 G HA2 0.169 4.128 3.960 -0.001 0.000 0.321 582 G HA3 0.169 4.128 3.960 -0.001 0.000 0.321 582 G C 0.602 175.549 174.900 0.078 0.000 1.412 582 G CA 0.059 45.247 45.100 0.147 0.000 0.990 582 G HN 1.112 nan 8.290 nan 0.000 0.637 583 C N 0.471 119.800 119.300 0.048 0.000 2.422 583 C HA 0.178 4.637 4.460 -0.001 0.000 0.286 583 C C 2.935 177.905 174.990 -0.033 0.000 1.412 583 C CA 1.667 60.696 59.018 0.018 0.000 1.786 583 C CB -1.263 26.525 27.740 0.081 0.000 1.835 583 C HN 1.179 nan 8.230 nan 0.000 0.533 584 G N 1.075 109.760 108.800 -0.191 0.000 2.470 584 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.220 584 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.220 584 G C 1.428 175.975 174.900 -0.588 0.000 1.121 584 G CA 0.668 45.396 45.100 -0.620 0.000 0.766 584 G HN 0.537 nan 8.290 nan 0.000 0.553 585 N N 0.238 118.774 118.700 -0.274 0.000 2.457 585 N HA 0.051 4.791 4.740 -0.001 0.000 0.180 585 N C 0.779 176.291 175.510 0.003 0.000 1.050 585 N CA 0.089 53.126 53.050 -0.022 0.000 0.906 585 N CB 0.064 38.596 38.487 0.075 0.000 0.968 585 N HN 0.300 nan 8.380 nan 0.000 0.445 586 I N 2.499 123.074 120.570 0.008 0.000 2.452 586 I HA 0.057 4.226 4.170 -0.001 0.000 0.287 586 I C -1.377 174.828 176.117 0.146 0.000 1.079 586 I CA -1.144 60.197 61.300 0.068 0.000 1.387 586 I CB 1.349 39.339 38.000 -0.015 0.000 1.404 586 I HN -0.079 nan 8.210 nan 0.000 0.522 587 P HA 0.063 nan 4.420 nan 0.000 0.259 587 P C 0.314 177.704 177.300 0.151 0.000 1.233 587 P CA 0.274 63.444 63.100 0.117 0.000 0.827 587 P CB 0.178 31.910 31.700 0.052 0.000 1.154 588 T N -2.112 112.565 114.554 0.205 0.000 2.849 588 T HA 0.684 5.034 4.350 -0.001 0.000 0.276 588 T C 0.144 174.972 174.700 0.213 0.000 0.971 588 T CA -0.879 61.328 62.100 0.178 0.000 0.949 588 T CB 0.960 69.906 68.868 0.129 0.000 1.093 588 T HN 0.032 nan 8.240 nan 0.000 0.545 589 A N 1.616 124.489 122.820 0.089 0.000 2.252 589 A HA 0.644 4.963 4.320 -0.001 0.000 0.309 589 A C -0.758 176.771 177.584 -0.091 0.000 1.285 589 A CA -0.926 51.106 52.037 -0.009 0.000 0.900 589 A CB -0.667 18.350 19.000 0.029 0.000 1.157 589 A HN 0.879 nan 8.150 nan 0.000 0.536 590 Y N -0.467 119.722 120.300 -0.185 0.000 2.512 590 Y HA 0.734 5.283 4.550 -0.001 0.000 0.348 590 Y C 0.687 176.449 175.900 -0.230 0.000 0.990 590 Y CA -0.636 57.179 58.100 -0.475 0.000 1.033 590 Y CB 1.459 39.434 38.460 -0.809 0.000 1.259 590 Y HN 0.405 nan 8.280 nan 0.000 0.461 591 G N 0.440 109.151 108.800 -0.149 0.000 2.724 591 G HA2 0.404 4.363 3.960 -0.001 0.000 0.205 591 G HA3 0.404 4.363 3.960 -0.001 0.000 0.205 591 G C 0.415 175.401 174.900 0.142 0.000 1.112 591 G CA 0.154 45.366 45.100 0.186 0.000 0.793 591 G HN 0.954 nan 8.290 nan 0.000 0.526 592 A N 0.895 123.625 122.820 -0.151 0.000 2.406 592 A HA 0.460 4.779 4.320 -0.001 0.000 0.243 592 A C -0.052 177.382 177.584 -0.250 0.000 1.082 592 A CA -0.433 51.365 52.037 -0.398 0.000 0.786 592 A CB 0.033 18.837 19.000 -0.327 0.000 1.029 592 A HN 0.360 nan 8.150 nan 0.000 0.495 593 N N 1.888 120.314 118.700 -0.457 0.000 2.483 593 N HA 0.276 5.015 4.740 -0.001 0.000 0.264 593 N C -2.205 173.205 175.510 -0.167 0.000 1.197 593 N CA -1.201 51.594 53.050 -0.424 0.000 0.927 593 N CB 0.252 38.621 38.487 -0.196 0.000 1.065 593 N HN 0.339 nan 8.380 nan 0.000 0.461 594 P HA 0.018 nan 4.420 nan 0.000 0.240 594 P C 0.557 177.774 177.300 -0.137 0.000 1.190 594 P CA 0.671 63.679 63.100 -0.154 0.000 0.781 594 P CB 0.298 31.901 31.700 -0.162 0.000 0.931 595 T N 0.606 115.163 114.554 0.006 0.000 2.821 595 T HA -0.098 4.252 4.350 -0.001 0.000 0.267 595 T C 1.695 176.489 174.700 0.157 0.000 1.046 595 T CA 0.770 62.925 62.100 0.092 0.000 1.139 595 T CB -0.794 68.166 68.868 0.154 0.000 0.871 595 T HN 0.003 nan 8.240 nan 0.000 0.454 596 L N 1.070 122.399 121.223 0.177 0.000 2.079 596 L HA -0.114 4.225 4.340 -0.001 0.000 0.210 596 L C 2.480 179.425 176.870 0.125 0.000 1.081 596 L CA 1.693 56.685 54.840 0.253 0.000 0.752 596 L CB -0.883 41.299 42.059 0.206 0.000 0.896 596 L HN 0.192 nan 8.230 nan 0.000 0.433 597 T N -0.720 113.774 114.554 -0.101 0.000 2.770 597 T HA -0.076 4.274 4.350 -0.001 0.000 0.263 597 T C 1.920 176.544 174.700 -0.127 0.000 1.039 597 T CA 1.108 63.069 62.100 -0.232 0.000 1.142 597 T CB -0.451 67.884 68.868 -0.888 0.000 0.868 597 T HN 0.496 nan 8.240 nan 0.000 0.435 598 A N 1.771 124.519 122.820 -0.120 0.000 1.917 598 A HA -0.189 4.131 4.320 -0.001 0.000 0.219 598 A C 2.317 179.864 177.584 -0.061 0.000 1.182 598 A CA 2.160 54.163 52.037 -0.057 0.000 0.633 598 A CB -0.818 18.170 19.000 -0.019 0.000 0.819 598 A HN 0.546 nan 8.150 nan 0.000 0.448 599 M N -0.383 119.189 119.600 -0.046 0.000 2.117 599 M HA -0.141 4.338 4.480 -0.001 0.000 0.262 599 M C 2.071 178.272 176.300 -0.165 0.000 1.065 599 M CA 2.153 57.395 55.300 -0.098 0.000 1.114 599 M CB -0.124 32.418 32.600 -0.096 0.000 1.361 599 M HN 0.375 nan 8.290 nan 0.000 0.408 600 S N 1.002 116.604 115.700 -0.165 0.000 2.383 600 S HA -0.057 4.413 4.470 -0.001 0.000 0.227 600 S C 1.745 176.139 174.600 -0.344 0.000 1.026 600 S CA 1.134 59.168 58.200 -0.277 0.000 0.981 600 S CB -0.443 62.538 63.200 -0.364 0.000 0.818 600 S HN 0.503 nan 8.310 nan 0.000 0.472 601 L N 1.178 122.231 121.223 -0.283 0.000 2.046 601 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 601 L C 2.771 179.493 176.870 -0.248 0.000 1.077 601 L CA 1.263 55.940 54.840 -0.272 0.000 0.747 601 L CB -0.676 41.292 42.059 -0.152 0.000 0.896 601 L HN 0.331 nan 8.230 nan 0.000 0.432 602 A N 0.106 122.774 122.820 -0.252 0.000 1.969 602 A HA -0.120 4.200 4.320 -0.001 0.000 0.218 602 A C 2.202 179.437 177.584 -0.581 0.000 1.169 602 A CA 1.178 52.941 52.037 -0.455 0.000 0.635 602 A CB -0.571 18.164 19.000 -0.442 0.000 0.810 602 A HN 0.351 nan 8.150 nan 0.000 0.445 603 I N -0.485 119.852 120.570 -0.388 0.000 2.226 603 I HA -0.271 3.898 4.170 -0.001 0.000 0.245 603 I C 2.521 178.465 176.117 -0.288 0.000 1.100 603 I CA 1.824 62.934 61.300 -0.317 0.000 1.374 603 I CB -0.194 37.642 38.000 -0.273 0.000 1.057 603 I HN 0.353 nan 8.210 nan 0.000 0.413 604 K N 0.519 120.746 120.400 -0.288 0.000 2.025 604 K HA -0.206 4.113 4.320 -0.001 0.000 0.207 604 K C 2.398 178.902 176.600 -0.160 0.000 1.049 604 K CA 1.710 57.859 56.287 -0.229 0.000 0.933 604 K CB -0.155 32.178 32.500 -0.280 0.000 0.714 604 K HN 0.137 nan 8.250 nan 0.000 0.438 605 S N 0.375 115.966 115.700 -0.182 0.000 2.368 605 S HA -0.242 4.228 4.470 -0.001 0.000 0.226 605 S C 2.127 176.626 174.600 -0.167 0.000 1.044 605 S CA 1.803 59.935 58.200 -0.114 0.000 1.062 605 S CB -0.684 62.481 63.200 -0.057 0.000 0.931 605 S HN 0.578 nan 8.310 nan 0.000 0.440 606 C N 1.398 120.504 119.300 -0.323 0.000 2.411 606 C HA -0.038 4.421 4.460 -0.001 0.000 0.279 606 C C 2.547 177.445 174.990 -0.153 0.000 1.288 606 C CA 1.024 59.872 59.018 -0.283 0.000 1.764 606 C CB -1.585 25.944 27.740 -0.352 0.000 1.974 606 C HN 0.697 nan 8.230 nan 0.000 0.498 607 E N -1.023 119.114 120.200 -0.106 0.000 2.150 607 E HA -0.220 4.129 4.350 -0.001 0.000 0.193 607 E C 1.786 178.395 176.600 0.014 0.000 0.985 607 E CA 1.202 57.575 56.400 -0.046 0.000 0.814 607 E CB -0.243 29.427 29.700 -0.050 0.000 0.752 607 E HN 0.853 nan 8.360 nan 0.000 0.466 608 Y N 1.086 121.351 120.300 -0.058 0.000 2.220 608 Y HA -0.147 4.402 4.550 -0.001 0.000 0.291 608 Y C 1.923 177.853 175.900 0.049 0.000 1.129 608 Y CA 1.266 59.373 58.100 0.011 0.000 1.161 608 Y CB 0.021 38.517 38.460 0.061 0.000 0.997 608 Y HN -0.076 nan 8.280 nan 0.000 0.522 609 I N 0.506 121.090 120.570 0.023 0.000 2.226 609 I HA -0.330 3.839 4.170 -0.001 0.000 0.245 609 I C 2.133 178.260 176.117 0.017 0.000 1.100 609 I CA 1.623 62.927 61.300 0.007 0.000 1.374 609 I CB -0.405 37.434 38.000 -0.269 0.000 1.057 609 I HN 0.158 nan 8.210 nan 0.000 0.413 610 K N 0.447 120.828 120.400 -0.032 0.000 2.280 610 K HA -0.192 4.128 4.320 -0.001 0.000 0.202 610 K C 1.804 178.442 176.600 0.064 0.000 1.047 610 K CA 1.121 57.461 56.287 0.089 0.000 0.942 610 K CB -0.163 32.376 32.500 0.066 0.000 0.739 610 K HN 0.510 nan 8.250 nan 0.000 0.457 611 Q N -0.440 119.319 119.800 -0.068 0.000 2.356 611 Q HA 0.113 4.453 4.340 -0.001 0.000 0.205 611 Q C 0.861 176.741 176.000 -0.200 0.000 0.901 611 Q CA 0.244 55.976 55.803 -0.118 0.000 0.938 611 Q CB 0.608 29.258 28.738 -0.148 0.000 1.081 611 Q HN 0.302 nan 8.270 nan 0.000 0.517 612 N N -0.978 117.554 118.700 -0.280 0.000 2.113 612 N HA 0.158 4.898 4.740 -0.001 0.000 0.223 612 N C -0.863 174.258 175.510 -0.648 0.000 1.310 612 N CA 0.218 52.974 53.050 -0.490 0.000 0.896 612 N CB 1.067 39.068 38.487 -0.809 0.000 1.097 612 N HN -0.023 nan 8.380 nan 0.000 0.507 613 F N 0.581 120.539 119.950 0.013 0.000 2.593 613 F HA 0.444 4.970 4.527 -0.001 0.000 0.320 613 F C 0.157 176.070 175.800 0.188 0.000 1.060 613 F CA -0.542 57.529 58.000 0.117 0.000 0.940 613 F CB 1.988 41.075 39.000 0.147 0.000 1.268 613 F HN -0.384 nan 8.300 nan 0.000 0.475 614 T N 2.540 117.285 114.554 0.318 0.000 2.848 614 T HA 0.445 4.794 4.350 -0.001 0.000 0.285 614 T C -2.780 171.905 174.700 -0.025 0.000 0.995 614 T CA -1.524 60.635 62.100 0.099 0.000 0.970 614 T CB 1.699 70.588 68.868 0.035 0.000 0.976 614 T HN 0.113 nan 8.240 nan 0.000 0.441 615 P HA 0.149 nan 4.420 nan 0.000 0.265 615 P C 0.089 177.316 177.300 -0.122 0.000 1.193 615 P CA -0.400 62.452 63.100 -0.415 0.000 0.765 615 P CB 0.225 31.557 31.700 -0.613 0.000 0.823 616 S N 3.570 119.256 115.700 -0.025 0.000 2.563 616 S HA 0.194 4.664 4.470 -0.001 0.000 0.284 616 S C -2.138 172.466 174.600 0.007 0.000 1.331 616 S CA -0.967 57.235 58.200 0.003 0.000 1.047 616 S CB -0.946 62.265 63.200 0.019 0.000 0.859 616 S HN 0.272 nan 8.310 nan 0.000 0.514 617 P HA 0.054 nan 4.420 nan 0.000 0.264 617 P C -0.536 176.811 177.300 0.078 0.000 1.183 617 P CA -0.141 62.984 63.100 0.041 0.000 0.763 617 P CB -0.002 31.710 31.700 0.021 0.000 0.807 618 F N 4.027 123.960 119.950 -0.028 0.000 2.512 618 F HA 0.174 4.700 4.527 -0.001 0.000 0.350 618 F C 0.014 175.806 175.800 -0.013 0.000 1.212 618 F CA 0.881 58.871 58.000 -0.017 0.000 1.099 618 F CB -0.199 38.792 39.000 -0.016 0.000 1.238 618 F HN 0.180 nan 8.300 nan 0.000 0.600 619 T N 0.000 114.346 114.554 -0.347 0.000 3.816 619 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 619 T CA 0.000 61.943 62.100 -0.261 0.000 1.349 619 T CB 0.000 68.799 68.868 -0.114 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658