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 3bg7_1_E DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSGPQFME 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 0.000 176.217 176.300 -0.138 0.000 1.140 43 M CA 0.000 55.249 55.300 -0.086 0.000 0.988 43 M CB 0.000 32.380 32.600 -0.368 0.000 1.302 44 D N 2.199 122.560 120.400 -0.064 0.000 2.411 44 D HA 0.256 4.896 4.640 -0.000 0.000 0.251 44 D C 0.694 176.893 176.300 -0.168 0.000 1.201 44 D CA -0.383 53.518 54.000 -0.165 0.000 0.996 44 D CB 1.042 41.709 40.800 -0.220 0.000 1.101 44 D HN 0.558 nan 8.370 nan 0.000 0.504 45 I N -2.614 117.856 120.570 -0.167 0.000 3.860 45 I HA 0.280 4.450 4.170 -0.000 0.000 0.319 45 I C 0.365 176.438 176.117 -0.074 0.000 1.279 45 I CA -0.357 60.903 61.300 -0.067 0.000 1.220 45 I CB -1.071 36.910 38.000 -0.031 0.000 1.027 45 I HN 0.095 nan 8.210 nan 0.000 0.428 46 K N 0.908 121.125 120.400 -0.305 0.000 2.413 46 K HA 0.580 4.900 4.320 -0.000 0.000 0.257 46 K C -1.804 174.437 176.600 -0.600 0.000 0.946 46 K CA -0.654 55.470 56.287 -0.273 0.000 0.823 46 K CB 0.857 33.253 32.500 -0.174 0.000 1.109 46 K HN 0.101 nan 8.250 nan 0.000 0.427 47 Y N 1.020 121.295 120.300 -0.042 0.000 2.634 47 Y HA 0.289 4.839 4.550 -0.000 0.000 0.340 47 Y C 0.767 176.628 175.900 -0.064 0.000 1.058 47 Y CA -0.786 57.282 58.100 -0.054 0.000 1.081 47 Y CB 1.830 40.258 38.460 -0.052 0.000 1.295 47 Y HN 0.572 nan 8.280 nan 0.000 0.487 48 D N 0.035 120.505 120.400 0.117 0.000 2.120 48 D HA 0.039 4.679 4.640 -0.000 0.000 0.202 48 D C -0.294 175.992 176.300 -0.023 0.000 0.972 48 D CA 1.413 55.464 54.000 0.084 0.000 0.837 48 D CB 0.299 41.225 40.800 0.210 0.000 0.989 48 D HN 0.106 nan 8.370 nan 0.000 0.469 49 V N 1.509 121.403 119.914 -0.033 0.000 2.588 49 V HA 0.341 4.461 4.120 -0.000 0.000 0.304 49 V C -0.203 175.791 176.094 -0.166 0.000 1.042 49 V CA -1.023 61.165 62.300 -0.188 0.000 0.877 49 V CB 2.375 34.056 31.823 -0.236 0.000 0.996 49 V HN -0.016 nan 8.190 nan 0.000 0.425 50 V N 3.208 122.980 119.914 -0.238 0.000 2.435 50 V HA 0.728 4.848 4.120 -0.000 0.000 0.290 50 V C -0.519 175.517 176.094 -0.095 0.000 1.030 50 V CA -0.566 61.662 62.300 -0.119 0.000 0.881 50 V CB 1.549 33.375 31.823 0.005 0.000 0.983 50 V HN 0.678 nan 8.190 nan 0.000 0.445 51 I N 4.352 124.891 120.570 -0.051 0.000 2.406 51 I HA 0.463 4.633 4.170 -0.000 0.000 0.290 51 I C -0.494 175.651 176.117 0.046 0.000 0.999 51 I CA -0.939 60.323 61.300 -0.064 0.000 1.124 51 I CB 2.205 40.153 38.000 -0.086 0.000 1.289 51 I HN 0.433 nan 8.210 nan 0.000 0.441 52 V N 5.559 125.485 119.914 0.020 0.000 2.348 52 V HA 0.760 4.880 4.120 -0.000 0.000 0.270 52 V C 0.511 176.622 176.094 0.028 0.000 1.037 52 V CA -0.246 62.088 62.300 0.056 0.000 0.872 52 V CB 0.376 32.205 31.823 0.011 0.000 1.002 52 V HN 1.073 nan 8.190 nan 0.000 0.464 53 G N 3.987 112.818 108.800 0.052 0.000 2.906 53 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.686 53 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.686 53 G C -0.066 174.857 174.900 0.038 0.000 1.170 53 G CA -0.252 44.870 45.100 0.037 0.000 0.775 53 G HN 1.326 nan 8.290 nan 0.000 0.630 54 S N 0.934 116.658 115.700 0.039 0.000 2.651 54 S HA 0.620 5.090 4.470 -0.000 0.000 0.246 54 S C 1.226 175.840 174.600 0.023 0.000 1.039 54 S CA 0.735 58.963 58.200 0.047 0.000 1.013 54 S CB 0.597 63.838 63.200 0.067 0.000 0.861 54 S HN 1.920 nan 8.310 nan 0.000 0.485 55 G N 2.523 111.325 108.800 0.005 0.000 2.535 55 G HA2 0.449 4.409 3.960 -0.000 0.000 0.282 55 G HA3 0.449 4.409 3.960 -0.000 0.000 0.282 55 G C -1.310 173.564 174.900 -0.044 0.000 1.350 55 G CA -1.432 43.650 45.100 -0.030 0.000 1.039 55 G HN 0.231 nan 8.290 nan 0.000 0.509 56 P HA -0.044 nan 4.420 nan 0.000 0.223 56 P C 1.680 178.906 177.300 -0.123 0.000 1.151 56 P CA 0.664 63.694 63.100 -0.116 0.000 0.787 56 P CB 0.214 31.848 31.700 -0.109 0.000 0.788 57 I N 0.118 120.654 120.570 -0.056 0.000 2.333 57 I HA -0.024 4.146 4.170 -0.000 0.000 0.246 57 I C 2.664 178.822 176.117 0.069 0.000 1.106 57 I CA 1.516 62.811 61.300 -0.009 0.000 1.411 57 I CB -2.200 35.825 38.000 0.042 0.000 1.082 57 I HN -0.000 nan 8.210 nan 0.000 0.420 58 G N 0.137 108.972 108.800 0.058 0.000 2.422 58 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 58 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 58 G C 1.768 176.664 174.900 -0.007 0.000 1.146 58 G CA 0.905 46.041 45.100 0.059 0.000 0.769 58 G HN 0.396 nan 8.290 nan 0.000 0.547 59 C N 0.592 119.857 119.300 -0.058 0.000 2.432 59 C HA 0.026 4.486 4.460 -0.000 0.000 0.280 59 C C 3.187 178.034 174.990 -0.239 0.000 1.353 59 C CA 1.380 60.315 59.018 -0.139 0.000 1.766 59 C CB -0.920 26.788 27.740 -0.054 0.000 1.924 59 C HN 0.441 nan 8.230 nan 0.000 0.509 60 T N -0.037 114.397 114.554 -0.199 0.000 2.708 60 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 60 T C 1.482 176.017 174.700 -0.275 0.000 1.037 60 T CA 1.599 63.549 62.100 -0.249 0.000 1.146 60 T CB -0.400 68.336 68.868 -0.220 0.000 0.865 60 T HN 0.548 nan 8.240 nan 0.000 0.435 61 Y N 1.475 121.633 120.300 -0.237 0.000 2.181 61 Y HA -0.025 4.525 4.550 -0.000 0.000 0.288 61 Y C 2.726 178.413 175.900 -0.355 0.000 1.146 61 Y CA 0.866 58.811 58.100 -0.259 0.000 1.164 61 Y CB -0.709 37.618 38.460 -0.223 0.000 0.982 61 Y HN 0.195 nan 8.280 nan 0.000 0.515 62 A N 0.080 122.703 122.820 -0.328 0.000 1.877 62 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 62 A C 2.311 179.330 177.584 -0.942 0.000 1.186 62 A CA 1.792 53.398 52.037 -0.718 0.000 0.620 62 A CB -0.728 17.572 19.000 -1.168 0.000 0.822 62 A HN 0.417 nan 8.150 nan 0.000 0.443 63 R N -0.361 119.645 120.500 -0.824 0.000 2.080 63 R HA -0.168 4.172 4.340 -0.000 0.000 0.236 63 R C 2.059 178.169 176.300 -0.317 0.000 1.137 63 R CA 1.806 57.586 56.100 -0.532 0.000 0.943 63 R CB -0.298 29.710 30.300 -0.486 0.000 0.846 63 R HN 0.559 nan 8.270 nan 0.000 0.431 64 E N 0.416 120.460 120.200 -0.260 0.000 2.077 64 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 64 E C 2.122 178.674 176.600 -0.081 0.000 0.989 64 E CA 1.243 57.566 56.400 -0.128 0.000 0.800 64 E CB -0.059 29.565 29.700 -0.127 0.000 0.746 64 E HN 0.442 nan 8.360 nan 0.000 0.452 65 L N 0.161 121.308 121.223 -0.128 0.000 2.202 65 L HA -0.049 4.291 4.340 -0.000 0.000 0.205 65 L C 2.519 179.449 176.870 0.101 0.000 1.083 65 L CA 0.241 55.062 54.840 -0.033 0.000 0.790 65 L CB -0.244 41.687 42.059 -0.213 0.000 0.942 65 L HN -0.060 nan 8.230 nan 0.000 0.452 66 V N 0.584 120.470 119.914 -0.048 0.000 2.343 66 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 66 V C 2.642 178.782 176.094 0.076 0.000 1.051 66 V CA 2.082 64.401 62.300 0.031 0.000 1.036 66 V CB -1.264 30.530 31.823 -0.049 0.000 0.654 66 V HN 0.559 nan 8.190 nan 0.000 0.451 67 G N -0.426 108.395 108.800 0.035 0.000 2.432 67 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.219 67 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.219 67 G C 1.537 176.477 174.900 0.067 0.000 1.135 67 G CA 0.850 45.981 45.100 0.052 0.000 0.767 67 G HN 0.634 nan 8.290 nan 0.000 0.550 68 A N -0.451 122.431 122.820 0.102 0.000 2.238 68 A HA 0.464 4.784 4.320 -0.000 0.000 0.208 68 A C 1.985 179.589 177.584 0.033 0.000 1.177 68 A CA 1.312 53.417 52.037 0.113 0.000 0.804 68 A CB -0.399 18.748 19.000 0.244 0.000 0.823 68 A HN 1.577 nan 8.150 nan 0.000 0.482 69 G N -2.487 106.347 108.800 0.056 0.000 2.159 69 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.227 69 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.227 69 G C -0.017 174.821 174.900 -0.103 0.000 0.986 69 G CA 0.075 45.167 45.100 -0.013 0.000 0.651 69 G HN 0.401 nan 8.290 nan 0.000 0.523 70 Y N 0.544 120.854 120.300 0.016 0.000 2.480 70 Y HA 0.391 4.941 4.550 -0.000 0.000 0.338 70 Y C 1.149 177.050 175.900 0.002 0.000 1.220 70 Y CA 0.364 58.464 58.100 0.001 0.000 1.430 70 Y CB 0.665 39.113 38.460 -0.020 0.000 1.311 70 Y HN 0.108 nan 8.280 nan 0.000 0.575 71 K N 2.800 123.279 120.400 0.131 0.000 2.273 71 K HA 0.428 4.748 4.320 -0.000 0.000 0.287 71 K C -1.612 175.082 176.600 0.157 0.000 1.089 71 K CA -0.183 56.157 56.287 0.089 0.000 0.909 71 K CB 0.055 32.565 32.500 0.017 0.000 1.123 71 K HN 0.492 nan 8.250 nan 0.000 0.473 72 V N 3.159 123.150 119.914 0.129 0.000 2.513 72 V HA 0.618 4.738 4.120 -0.000 0.000 0.299 72 V C -0.303 175.655 176.094 -0.227 0.000 1.035 72 V CA -0.939 61.384 62.300 0.038 0.000 0.889 72 V CB 1.447 33.353 31.823 0.139 0.000 0.988 72 V HN 0.885 nan 8.190 nan 0.000 0.440 73 A N 5.571 128.110 122.820 -0.469 0.000 2.350 73 A HA 0.930 5.250 4.320 -0.000 0.000 0.324 73 A C -0.687 176.508 177.584 -0.647 0.000 1.118 73 A CA -0.623 50.901 52.037 -0.856 0.000 0.783 73 A CB 1.605 19.740 19.000 -1.441 0.000 1.236 73 A HN 0.904 nan 8.150 nan 0.000 0.457 74 M N 2.489 121.630 119.600 -0.766 0.000 2.326 74 M HA 0.713 5.193 4.480 -0.000 0.000 0.306 74 M C -2.120 173.850 176.300 -0.550 0.000 1.054 74 M CA -0.432 54.625 55.300 -0.404 0.000 0.922 74 M CB 1.077 33.622 32.600 -0.092 0.000 1.632 74 M HN 0.608 nan 8.290 nan 0.000 0.436 75 F N 2.312 122.248 119.950 -0.023 0.000 2.480 75 F HA 0.551 5.078 4.527 -0.000 0.000 0.329 75 F C 0.018 175.818 175.800 0.001 0.000 1.091 75 F CA -0.480 57.531 58.000 0.017 0.000 0.972 75 F CB 1.325 40.316 39.000 -0.015 0.000 1.150 75 F HN 0.458 nan 8.300 nan 0.000 0.467 76 D N 2.591 123.087 120.400 0.160 0.000 2.780 76 D HA 0.247 4.887 4.640 -0.000 0.000 0.242 76 D C 0.460 176.791 176.300 0.051 0.000 1.135 76 D CA -0.352 53.696 54.000 0.080 0.000 0.859 76 D CB 2.515 43.345 40.800 0.049 0.000 1.530 76 D HN 0.634 nan 8.370 nan 0.000 0.493 77 I N 1.836 122.394 120.570 -0.020 0.000 2.676 77 I HA 0.037 4.207 4.170 -0.000 0.000 0.259 77 I C 1.209 177.299 176.117 -0.044 0.000 1.194 77 I CA 0.632 61.879 61.300 -0.088 0.000 1.473 77 I CB 0.172 38.005 38.000 -0.278 0.000 1.096 77 I HN 0.326 nan 8.210 nan 0.000 0.443 78 G N 0.099 108.891 108.800 -0.014 0.000 2.557 78 G HA2 0.348 4.308 3.960 -0.000 0.000 0.292 78 G HA3 0.348 4.308 3.960 -0.000 0.000 0.292 78 G C -0.789 174.135 174.900 0.040 0.000 1.237 78 G CA -0.413 44.701 45.100 0.022 0.000 0.978 78 G HN 0.283 nan 8.290 nan 0.000 0.498 79 E N -1.207 119.021 120.200 0.047 0.000 2.263 79 E HA 0.355 4.705 4.350 -0.000 0.000 0.264 79 E C -0.449 176.178 176.600 0.045 0.000 0.923 79 E CA -0.727 55.701 56.400 0.047 0.000 0.802 79 E CB 2.508 32.238 29.700 0.050 0.000 1.228 79 E HN 0.274 nan 8.360 nan 0.000 0.417 80 I N 2.784 123.379 120.570 0.041 0.000 2.587 80 I HA -0.020 4.150 4.170 -0.000 0.000 0.284 80 I C -0.196 175.951 176.117 0.050 0.000 1.134 80 I CA 0.676 62.001 61.300 0.042 0.000 1.410 80 I CB 0.088 38.108 38.000 0.033 0.000 1.392 80 I HN 0.519 nan 8.210 nan 0.000 0.545 81 D N 3.042 123.478 120.400 0.060 0.000 3.453 81 D HA 0.046 4.686 4.640 -0.000 0.000 0.312 81 D C -0.276 176.078 176.300 0.090 0.000 1.349 81 D CA -0.356 53.685 54.000 0.070 0.000 0.739 81 D CB 0.046 40.886 40.800 0.067 0.000 1.312 81 D HN 0.223 nan 8.370 nan 0.000 0.628 82 S N -0.152 115.604 115.700 0.093 0.000 2.855 82 S HA 0.630 5.100 4.470 -0.000 0.000 0.249 82 S C 0.830 175.502 174.600 0.120 0.000 1.033 82 S CA 0.073 58.346 58.200 0.122 0.000 1.038 82 S CB 0.791 64.063 63.200 0.120 0.000 0.960 82 S HN 0.920 nan 8.310 nan 0.000 0.548 83 G N 1.431 110.290 108.800 0.098 0.000 2.632 83 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.224 83 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.224 83 G C 0.288 175.226 174.900 0.063 0.000 1.341 83 G CA -0.270 44.881 45.100 0.085 0.000 0.880 83 G HN 0.295 nan 8.290 nan 0.000 0.566 84 L N 0.233 121.488 121.223 0.053 0.000 2.376 84 L HA 0.118 4.458 4.340 -0.000 0.000 0.219 84 L C 1.488 178.374 176.870 0.027 0.000 1.133 84 L CA 0.920 55.780 54.840 0.034 0.000 0.816 84 L CB -0.305 41.769 42.059 0.025 0.000 0.933 84 L HN 0.305 nan 8.230 nan 0.000 0.449 85 K N 1.556 121.981 120.400 0.042 0.000 2.263 85 K HA 0.341 4.661 4.320 -0.000 0.000 0.282 85 K C -0.324 176.302 176.600 0.042 0.000 1.089 85 K CA -0.281 56.027 56.287 0.035 0.000 0.907 85 K CB 1.103 33.637 32.500 0.057 0.000 1.148 85 K HN 0.058 nan 8.250 nan 0.000 0.470 86 I N 2.101 122.681 120.570 0.016 0.000 2.598 86 I HA -0.034 4.136 4.170 -0.000 0.000 0.284 86 I C 1.302 177.441 176.117 0.037 0.000 1.140 86 I CA 0.712 62.026 61.300 0.024 0.000 1.420 86 I CB 0.472 38.476 38.000 0.007 0.000 1.387 86 I HN 0.959 nan 8.210 nan 0.000 0.553 87 G N 4.370 113.203 108.800 0.055 0.000 2.160 87 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.251 87 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.251 87 G C 0.311 175.263 174.900 0.086 0.000 1.008 87 G CA 0.049 45.185 45.100 0.060 0.000 0.724 87 G HN 0.957 nan 8.290 nan 0.000 0.514 88 A N -0.362 122.525 122.820 0.111 0.000 2.287 88 A HA 0.604 4.924 4.320 -0.000 0.000 0.273 88 A C 0.608 178.317 177.584 0.209 0.000 1.091 88 A CA -0.304 51.835 52.037 0.170 0.000 0.817 88 A CB 0.270 19.370 19.000 0.167 0.000 1.069 88 A HN 0.645 nan 8.150 nan 0.000 0.492 89 H N 0.690 119.899 119.070 0.231 0.000 2.975 89 H HA 0.086 4.642 4.556 -0.000 0.000 0.303 89 H C 0.733 176.193 175.328 0.220 0.000 1.023 89 H CA 0.693 56.895 56.048 0.256 0.000 1.473 89 H CB 0.726 30.662 29.762 0.290 0.000 1.498 89 H HN 0.671 nan 8.280 nan 0.000 0.549 90 K N 3.437 124.034 120.400 0.329 0.000 2.442 90 K HA -0.105 4.215 4.320 -0.000 0.000 0.198 90 K C 1.492 178.334 176.600 0.404 0.000 1.042 90 K CA 0.966 57.500 56.287 0.412 0.000 0.958 90 K CB 0.284 33.043 32.500 0.431 0.000 0.766 90 K HN 0.541 nan 8.250 nan 0.000 0.474 91 K N -0.143 120.367 120.400 0.184 0.000 2.417 91 K HA 0.093 4.413 4.320 -0.000 0.000 0.196 91 K C 0.542 177.139 176.600 -0.004 0.000 1.023 91 K CA 0.252 56.334 56.287 -0.342 0.000 1.122 91 K CB 0.253 31.925 32.500 -1.380 0.000 0.850 91 K HN -0.122 nan 8.250 nan 0.000 0.521 92 N N 2.155 120.963 118.700 0.179 0.000 2.370 92 N HA -0.032 4.708 4.740 -0.000 0.000 0.198 92 N C -0.271 175.424 175.510 0.309 0.000 1.156 92 N CA 0.531 53.694 53.050 0.188 0.000 0.839 92 N CB 0.434 39.095 38.487 0.289 0.000 0.989 92 N HN 0.480 nan 8.380 nan 0.000 0.468 93 T N -3.335 111.403 114.554 0.307 0.000 2.913 93 T HA 0.246 4.596 4.350 -0.000 0.000 0.287 93 T C 1.724 176.575 174.700 0.252 0.000 1.008 93 T CA -0.736 61.530 62.100 0.277 0.000 1.067 93 T CB 1.496 70.491 68.868 0.211 0.000 0.996 93 T HN -0.200 nan 8.240 nan 0.000 0.513 94 V N 1.506 121.562 119.914 0.237 0.000 2.392 94 V HA -0.133 3.987 4.120 -0.000 0.000 0.249 94 V C 2.905 179.054 176.094 0.090 0.000 1.059 94 V CA 1.777 64.203 62.300 0.209 0.000 1.051 94 V CB -0.865 31.042 31.823 0.139 0.000 0.658 94 V HN 0.882 nan 8.190 nan 0.000 0.455 95 E N -0.401 119.794 120.200 -0.009 0.000 2.085 95 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 95 E C 2.157 178.665 176.600 -0.153 0.000 0.994 95 E CA 1.636 57.958 56.400 -0.131 0.000 0.801 95 E CB -0.282 29.243 29.700 -0.291 0.000 0.743 95 E HN 0.755 nan 8.360 nan 0.000 0.453 96 Y N 1.108 121.466 120.300 0.098 0.000 2.373 96 Y HA -0.065 4.485 4.550 -0.000 0.000 0.293 96 Y C 2.428 178.334 175.900 0.010 0.000 1.129 96 Y CA 0.683 58.823 58.100 0.067 0.000 1.226 96 Y CB -0.185 38.307 38.460 0.054 0.000 1.000 96 Y HN 0.024 nan 8.280 nan 0.000 0.549 97 Q N 0.324 120.195 119.800 0.118 0.000 2.297 97 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 97 Q C 1.689 177.736 176.000 0.078 0.000 0.962 97 Q CA 1.023 56.855 55.803 0.048 0.000 0.879 97 Q CB -0.053 28.677 28.738 -0.012 0.000 0.947 97 Q HN 0.529 nan 8.270 nan 0.000 0.462 98 K N 0.301 120.751 120.400 0.083 0.000 2.166 98 K HA 0.052 4.372 4.320 -0.000 0.000 0.201 98 K C 0.282 176.925 176.600 0.072 0.000 1.052 98 K CA 0.411 56.737 56.287 0.066 0.000 0.969 98 K CB 0.447 32.975 32.500 0.047 0.000 0.761 98 K HN 0.062 nan 8.250 nan 0.000 0.459 99 N N 1.301 120.061 118.700 0.101 0.000 2.841 99 N HA 0.107 4.847 4.740 -0.000 0.000 0.257 99 N C 0.173 175.812 175.510 0.214 0.000 1.396 99 N CA -0.000 53.127 53.050 0.128 0.000 0.823 99 N CB 1.182 39.734 38.487 0.108 0.000 1.162 99 N HN 0.075 nan 8.380 nan 0.000 0.503 100 I N 0.068 120.743 120.570 0.175 0.000 2.394 100 I HA -0.180 3.990 4.170 -0.000 0.000 0.251 100 I C 0.866 177.111 176.117 0.214 0.000 1.136 100 I CA 1.366 62.774 61.300 0.180 0.000 1.425 100 I CB 0.445 38.505 38.000 0.101 0.000 1.079 100 I HN 0.119 nan 8.210 nan 0.000 0.425 101 D N 0.925 121.447 120.400 0.205 0.000 2.312 101 D HA -0.115 4.525 4.640 -0.000 0.000 0.211 101 D C 1.901 178.308 176.300 0.178 0.000 0.964 101 D CA 0.523 54.649 54.000 0.210 0.000 0.877 101 D CB 0.002 40.963 40.800 0.268 0.000 0.924 101 D HN 0.243 nan 8.370 nan 0.000 0.515 102 K N 0.183 120.716 120.400 0.222 0.000 2.283 102 K HA -0.092 4.228 4.320 -0.000 0.000 0.202 102 K C 1.703 178.423 176.600 0.200 0.000 1.048 102 K CA 0.070 56.496 56.287 0.232 0.000 0.948 102 K CB -0.485 32.200 32.500 0.307 0.000 0.742 102 K HN 0.216 nan 8.250 nan 0.000 0.458 103 F N 1.314 121.263 119.950 -0.002 0.000 2.365 103 F HA -0.156 4.371 4.527 -0.000 0.000 0.300 103 F C 1.845 177.534 175.800 -0.185 0.000 1.090 103 F CA 0.488 58.320 58.000 -0.280 0.000 1.408 103 F CB -0.080 38.721 39.000 -0.332 0.000 1.060 103 F HN -0.289 nan 8.300 nan 0.000 0.534 104 V N 0.504 120.343 119.914 -0.126 0.000 2.380 104 V HA -0.385 3.735 4.120 -0.000 0.000 0.251 104 V C 1.825 177.745 176.094 -0.289 0.000 1.063 104 V CA 2.453 64.627 62.300 -0.211 0.000 1.055 104 V CB -0.991 30.736 31.823 -0.161 0.000 0.657 104 V HN 0.387 nan 8.190 nan 0.000 0.455 105 N N -0.354 118.206 118.700 -0.233 0.000 2.216 105 N HA -0.108 4.632 4.740 -0.000 0.000 0.183 105 N C 1.670 177.017 175.510 -0.273 0.000 1.017 105 N CA 1.114 54.046 53.050 -0.197 0.000 0.861 105 N CB -0.232 38.198 38.487 -0.094 0.000 0.986 105 N HN 0.308 nan 8.380 nan 0.000 0.428 106 V N 1.475 121.127 119.914 -0.437 0.000 2.255 106 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 106 V C 2.064 177.819 176.094 -0.566 0.000 1.051 106 V CA 1.495 63.469 62.300 -0.543 0.000 1.018 106 V CB -0.542 30.714 31.823 -0.945 0.000 0.641 106 V HN 0.303 nan 8.190 nan 0.000 0.445 107 I N -0.338 119.786 120.570 -0.744 0.000 2.118 107 I HA -0.377 3.793 4.170 -0.000 0.000 0.241 107 I C 2.700 178.563 176.117 -0.424 0.000 1.070 107 I CA 1.933 62.848 61.300 -0.641 0.000 1.327 107 I CB -0.494 37.169 38.000 -0.562 0.000 1.034 107 I HN 0.375 nan 8.210 nan 0.000 0.405 108 Q N 0.325 119.936 119.800 -0.314 0.000 2.170 108 Q HA -0.130 4.210 4.340 -0.000 0.000 0.203 108 Q C 2.330 178.234 176.000 -0.161 0.000 0.976 108 Q CA 1.440 57.115 55.803 -0.212 0.000 0.858 108 Q CB -0.367 28.264 28.738 -0.179 0.000 0.907 108 Q HN 0.665 nan 8.270 nan 0.000 0.433 109 G N 1.244 109.945 108.800 -0.165 0.000 2.471 109 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.219 109 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 109 G C 1.058 175.913 174.900 -0.076 0.000 1.125 109 G CA 0.697 45.734 45.100 -0.104 0.000 0.775 109 G HN 0.467 nan 8.290 nan 0.000 0.548 110 Q N -0.644 119.094 119.800 -0.103 0.000 2.157 110 Q HA 0.452 4.792 4.340 -0.000 0.000 0.229 110 Q C -0.245 175.746 176.000 -0.014 0.000 0.827 110 Q CA -0.284 55.499 55.803 -0.033 0.000 1.055 110 Q CB 0.169 28.914 28.738 0.011 0.000 1.157 110 Q HN 0.253 nan 8.270 nan 0.000 0.482 111 L N 2.189 123.380 121.223 -0.055 0.000 2.298 111 L HA 0.543 4.883 4.340 -0.000 0.000 0.284 111 L C -0.615 176.255 176.870 0.001 0.000 1.013 111 L CA -0.666 54.162 54.840 -0.021 0.000 0.824 111 L CB 1.616 43.630 42.059 -0.074 0.000 1.221 111 L HN 0.246 nan 8.230 nan 0.000 0.418 112 M N 2.116 121.741 119.600 0.041 0.000 2.227 112 M HA 0.334 4.814 4.480 -0.000 0.000 0.335 112 M C -0.091 176.242 176.300 0.055 0.000 1.053 112 M CA -0.463 54.867 55.300 0.049 0.000 0.973 112 M CB 1.569 34.219 32.600 0.084 0.000 1.623 112 M HN 0.365 nan 8.290 nan 0.000 0.434 113 S N 1.807 117.527 115.700 0.034 0.000 2.546 113 S HA 0.114 4.584 4.470 -0.000 0.000 0.290 113 S C 1.607 176.239 174.600 0.052 0.000 1.290 113 S CA -0.471 57.749 58.200 0.033 0.000 1.069 113 S CB 0.845 64.053 63.200 0.013 0.000 0.846 113 S HN 0.533 nan 8.310 nan 0.000 0.495 114 V N 2.731 122.688 119.914 0.073 0.000 2.323 114 V HA -0.008 4.112 4.120 -0.000 0.000 0.244 114 V C 1.214 177.310 176.094 0.004 0.000 1.041 114 V CA 1.438 63.774 62.300 0.059 0.000 1.025 114 V CB 0.006 31.895 31.823 0.111 0.000 0.656 114 V HN 0.783 nan 8.190 nan 0.000 0.451 115 S N -0.536 115.185 115.700 0.035 0.000 2.776 115 S HA 0.524 4.994 4.470 -0.000 0.000 0.284 115 S C -1.128 173.473 174.600 0.000 0.000 1.160 115 S CA -0.445 57.738 58.200 -0.028 0.000 1.051 115 S CB 1.442 64.596 63.200 -0.077 0.000 1.037 115 S HN 0.002 nan 8.310 nan 0.000 0.485 116 V N 7.968 127.869 119.914 -0.022 0.000 2.357 116 V HA 0.547 4.667 4.120 -0.000 0.000 0.284 116 V C -1.959 174.115 176.094 -0.034 0.000 1.018 116 V CA -1.796 60.490 62.300 -0.022 0.000 0.841 116 V CB 1.570 33.380 31.823 -0.022 0.000 0.991 116 V HN 0.701 nan 8.190 nan 0.000 0.437 117 P HA 0.153 nan 4.420 nan 0.000 0.272 117 P C -0.166 177.105 177.300 -0.048 0.000 1.240 117 P CA -0.143 62.934 63.100 -0.039 0.000 0.791 117 P CB 0.778 32.456 31.700 -0.036 0.000 0.978 118 V N 2.188 122.076 119.914 -0.043 0.000 2.617 118 V HA -0.056 4.063 4.120 -0.000 0.000 0.304 118 V C 1.291 177.329 176.094 -0.093 0.000 1.040 118 V CA 0.258 62.528 62.300 -0.050 0.000 1.149 118 V CB -0.855 30.959 31.823 -0.015 0.000 0.914 118 V HN 0.615 nan 8.190 nan 0.000 0.487 119 N N 3.819 122.459 118.700 -0.100 0.000 2.497 119 N HA 0.097 4.837 4.740 -0.000 0.000 0.271 119 N C 0.569 175.929 175.510 -0.250 0.000 1.142 119 N CA 0.390 53.360 53.050 -0.133 0.000 0.965 119 N CB 1.552 39.988 38.487 -0.085 0.000 1.077 119 N HN 0.867 nan 8.380 nan 0.000 0.462 120 T N 0.994 115.286 114.554 -0.436 0.000 3.296 120 T HA 0.273 4.623 4.350 -0.000 0.000 0.285 120 T C 0.691 174.991 174.700 -0.667 0.000 1.014 120 T CA -0.478 60.973 62.100 -1.082 0.000 0.920 120 T CB -0.471 67.815 68.868 -0.971 0.000 1.143 120 T HN 0.271 nan 8.240 nan 0.000 0.522 121 L N 1.947 123.030 121.223 -0.234 0.000 2.410 121 L HA 0.423 4.763 4.340 -0.000 0.000 0.273 121 L C -0.016 176.920 176.870 0.111 0.000 1.152 121 L CA -0.831 53.974 54.840 -0.059 0.000 0.855 121 L CB 1.060 43.100 42.059 -0.032 0.000 1.129 121 L HN 0.084 nan 8.230 nan 0.000 0.463 122 V N 4.758 124.747 119.914 0.124 0.000 2.364 122 V HA 0.178 4.298 4.120 -0.000 0.000 0.272 122 V C 0.212 176.368 176.094 0.104 0.000 1.036 122 V CA -0.472 61.941 62.300 0.189 0.000 0.880 122 V CB 1.604 33.527 31.823 0.167 0.000 0.991 122 V HN 0.422 nan 8.190 nan 0.000 0.460 123 V N 5.457 125.429 119.914 0.097 0.000 2.294 123 V HA 0.329 4.449 4.120 -0.000 0.000 0.272 123 V C 0.279 176.398 176.094 0.041 0.000 1.027 123 V CA -0.407 61.928 62.300 0.059 0.000 0.823 123 V CB 1.302 33.161 31.823 0.059 0.000 1.030 123 V HN 1.056 nan 8.190 nan 0.000 0.457 124 D N 2.173 122.591 120.400 0.031 0.000 2.538 124 D HA 0.009 4.649 4.640 -0.000 0.000 0.231 124 D C 1.056 177.362 176.300 0.011 0.000 1.229 124 D CA 0.165 54.175 54.000 0.016 0.000 0.828 124 D CB 0.430 41.239 40.800 0.015 0.000 1.035 124 D HN 0.541 nan 8.370 nan 0.000 0.495 125 T N -1.766 112.797 114.554 0.015 0.000 3.266 125 T HA 0.338 4.688 4.350 -0.000 0.000 0.278 125 T C 0.684 175.394 174.700 0.016 0.000 1.010 125 T CA -0.558 61.550 62.100 0.013 0.000 0.909 125 T CB -0.251 68.625 68.868 0.014 0.000 1.122 125 T HN 0.015 nan 8.240 nan 0.000 0.536 126 L N 1.949 123.182 121.223 0.017 0.000 2.467 126 L HA 0.302 4.642 4.340 -0.000 0.000 0.270 126 L C 1.154 178.033 176.870 0.015 0.000 1.205 126 L CA -0.514 54.339 54.840 0.022 0.000 0.828 126 L CB 0.476 42.552 42.059 0.027 0.000 1.101 126 L HN 0.260 nan 8.230 nan 0.000 0.479 127 S N 2.159 117.871 115.700 0.021 0.000 2.558 127 S HA 0.057 4.527 4.470 -0.000 0.000 0.291 127 S C -1.404 173.202 174.600 0.010 0.000 1.306 127 S CA -1.002 57.208 58.200 0.016 0.000 1.056 127 S CB 0.672 63.886 63.200 0.023 0.000 0.836 127 S HN 0.404 nan 8.310 nan 0.000 0.504 128 P HA -0.060 nan 4.420 nan 0.000 0.223 128 P C 1.281 178.582 177.300 0.001 0.000 1.144 128 P CA 1.166 64.263 63.100 -0.006 0.000 0.783 128 P CB -0.249 31.446 31.700 -0.008 0.000 0.771 129 T N -5.649 108.914 114.554 0.016 0.000 3.067 129 T HA 0.095 4.445 4.350 -0.000 0.000 0.261 129 T C 1.005 175.737 174.700 0.053 0.000 1.110 129 T CA 0.055 62.173 62.100 0.029 0.000 1.113 129 T CB -0.560 68.326 68.868 0.030 0.000 0.917 129 T HN -0.094 nan 8.240 nan 0.000 0.499 130 S N 1.423 117.157 115.700 0.056 0.000 2.565 130 S HA 0.292 4.762 4.470 -0.000 0.000 0.276 130 S C -0.593 174.086 174.600 0.131 0.000 1.326 130 S CA -0.993 57.268 58.200 0.102 0.000 1.045 130 S CB 0.173 63.427 63.200 0.091 0.000 0.918 130 S HN 0.601 nan 8.310 nan 0.000 0.505 131 W N 4.134 125.440 121.300 0.011 0.000 2.308 131 W HA 0.232 4.892 4.660 -0.000 0.000 0.324 131 W C 0.194 176.726 176.519 0.022 0.000 1.387 131 W CA -0.016 57.335 57.345 0.009 0.000 1.250 131 W CB 0.161 29.627 29.460 0.009 0.000 1.257 131 W HN 0.589 nan 8.180 nan 0.000 0.554 132 Q N 5.245 124.710 119.800 -0.558 0.000 2.347 132 Q HA 0.760 5.100 4.340 -0.000 0.000 0.271 132 Q C -0.985 174.425 176.000 -0.983 0.000 1.064 132 Q CA -1.147 54.343 55.803 -0.520 0.000 0.800 132 Q CB 1.737 30.350 28.738 -0.209 0.000 1.304 132 Q HN 0.529 nan 8.270 nan 0.000 0.438 133 A N 1.783 124.156 122.820 -0.745 0.000 2.313 133 A HA 0.399 4.719 4.320 -0.000 0.000 0.261 133 A C 0.483 177.878 177.584 -0.316 0.000 1.090 133 A CA -0.418 51.288 52.037 -0.552 0.000 0.807 133 A CB 0.938 19.953 19.000 0.024 0.000 1.055 133 A HN 0.843 nan 8.150 nan 0.000 0.492 134 S N -0.933 114.616 115.700 -0.251 0.000 2.524 134 S HA 0.127 4.597 4.470 -0.000 0.000 0.216 134 S C 0.771 175.261 174.600 -0.184 0.000 0.987 134 S CA 0.847 58.925 58.200 -0.204 0.000 0.909 134 S CB -0.217 62.888 63.200 -0.158 0.000 0.781 134 S HN 1.104 nan 8.310 nan 0.000 0.521 135 T N -1.594 112.887 114.554 -0.121 0.000 2.865 135 T HA 0.616 4.966 4.350 -0.000 0.000 0.294 135 T C -0.809 173.855 174.700 -0.060 0.000 1.119 135 T CA -0.735 61.304 62.100 -0.101 0.000 1.007 135 T CB 0.678 69.583 68.868 0.060 0.000 1.225 135 T HN -0.092 nan 8.240 nan 0.000 0.515 136 F N 3.062 123.095 119.950 0.139 0.000 2.652 136 F HA 0.368 4.895 4.527 -0.000 0.000 0.352 136 F C 0.443 176.302 175.800 0.098 0.000 1.259 136 F CA -1.765 56.278 58.000 0.071 0.000 1.249 136 F CB -1.093 37.916 39.000 0.015 0.000 1.628 136 F HN 0.540 nan 8.300 nan 0.000 0.654 137 F N -0.868 119.177 119.950 0.158 0.000 2.368 137 F HA 0.583 5.110 4.527 -0.000 0.000 0.308 137 F C -0.045 175.825 175.800 0.117 0.000 1.198 137 F CA -1.659 56.414 58.000 0.123 0.000 1.130 137 F CB -0.202 38.863 39.000 0.109 0.000 1.300 137 F HN -0.193 nan 8.300 nan 0.000 0.537 138 V N 2.716 122.767 119.914 0.229 0.000 2.415 138 V HA 0.311 4.431 4.120 -0.000 0.000 0.267 138 V C 0.102 176.219 176.094 0.039 0.000 1.042 138 V CA -0.067 62.284 62.300 0.085 0.000 1.000 138 V CB -0.531 31.362 31.823 0.117 0.000 1.015 138 V HN 0.704 nan 8.190 nan 0.000 0.478 139 R N 3.815 124.235 120.500 -0.133 0.000 2.795 139 R HA 0.468 4.808 4.340 -0.000 0.000 0.275 139 R C 0.174 176.426 176.300 -0.081 0.000 0.981 139 R CA -0.928 55.064 56.100 -0.179 0.000 0.917 139 R CB 1.324 31.383 30.300 -0.403 0.000 1.202 139 R HN 0.682 nan 8.270 nan 0.000 0.469 140 N N 0.681 119.357 118.700 -0.040 0.000 2.721 140 N HA -0.204 4.536 4.740 -0.000 0.000 0.249 140 N C 0.474 175.970 175.510 -0.022 0.000 1.072 140 N CA 1.558 54.590 53.050 -0.029 0.000 0.710 140 N CB -1.097 37.367 38.487 -0.040 0.000 0.993 140 N HN 1.080 nan 8.380 nan 0.000 0.547 141 G N -1.692 107.101 108.800 -0.012 0.000 2.162 141 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.260 141 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.260 141 G C 0.274 175.165 174.900 -0.014 0.000 0.976 141 G CA 0.936 46.032 45.100 -0.008 0.000 0.655 141 G HN 1.336 nan 8.290 nan 0.000 0.533 142 S N -0.535 115.151 115.700 -0.023 0.000 2.584 142 S HA 0.478 4.948 4.470 -0.000 0.000 0.270 142 S C 0.123 174.709 174.600 -0.023 0.000 1.346 142 S CA 0.130 58.313 58.200 -0.029 0.000 1.018 142 S CB 1.764 64.938 63.200 -0.042 0.000 0.899 142 S HN 0.726 nan 8.310 nan 0.000 0.542 143 N N 2.071 120.749 118.700 -0.036 0.000 2.501 143 N HA 0.387 5.127 4.740 -0.000 0.000 0.245 143 N C -1.815 173.672 175.510 -0.037 0.000 0.974 143 N CA -2.545 50.475 53.050 -0.049 0.000 0.941 143 N CB 1.347 39.776 38.487 -0.096 0.000 1.122 143 N HN 0.350 nan 8.380 nan 0.000 0.507 144 P HA -0.033 nan 4.420 nan 0.000 0.233 144 P C 0.310 177.623 177.300 0.020 0.000 1.167 144 P CA 0.822 63.932 63.100 0.017 0.000 0.770 144 P CB 0.524 32.252 31.700 0.045 0.000 0.837 145 E N -0.229 119.965 120.200 -0.010 0.000 2.347 145 E HA -0.101 4.249 4.350 -0.000 0.000 0.196 145 E C 0.855 177.438 176.600 -0.028 0.000 1.008 145 E CA 0.565 56.971 56.400 0.010 0.000 0.852 145 E CB -0.119 29.509 29.700 -0.121 0.000 0.783 145 E HN 0.296 nan 8.360 nan 0.000 0.505 146 Q N 2.261 122.016 119.800 -0.074 0.000 2.307 146 Q HA 0.031 4.371 4.340 -0.000 0.000 0.259 146 Q C -0.864 175.135 176.000 -0.001 0.000 0.998 146 Q CA -0.189 55.573 55.803 -0.068 0.000 0.923 146 Q CB 0.766 29.453 28.738 -0.084 0.000 1.196 146 Q HN -0.181 nan 8.270 nan 0.000 0.416 147 D N 6.007 126.428 120.400 0.035 0.000 2.343 147 D HA 0.094 4.734 4.640 -0.000 0.000 0.255 147 D C -1.712 174.603 176.300 0.025 0.000 1.187 147 D CA -1.977 52.048 54.000 0.041 0.000 0.875 147 D CB 1.337 42.177 40.800 0.067 0.000 1.136 147 D HN 0.415 nan 8.370 nan 0.000 0.469 148 P HA -0.090 nan 4.420 nan 0.000 0.222 148 P C 1.301 178.603 177.300 0.004 0.000 1.147 148 P CA 0.759 63.855 63.100 -0.005 0.000 0.790 148 P CB 0.349 32.034 31.700 -0.026 0.000 0.780 149 L N -1.369 119.861 121.223 0.011 0.000 2.607 149 L HA 0.177 4.517 4.340 -0.000 0.000 0.228 149 L C 1.688 178.575 176.870 0.028 0.000 1.123 149 L CA 0.252 55.100 54.840 0.014 0.000 0.890 149 L CB -0.162 41.901 42.059 0.007 0.000 1.103 149 L HN -0.169 nan 8.230 nan 0.000 0.468 150 R N -0.355 120.170 120.500 0.043 0.000 2.690 150 R HA 0.195 4.535 4.340 -0.000 0.000 0.419 150 R C -0.219 176.142 176.300 0.102 0.000 1.090 150 R CA -0.274 55.866 56.100 0.067 0.000 1.064 150 R CB 0.256 30.600 30.300 0.073 0.000 1.391 150 R HN 0.070 nan 8.270 nan 0.000 0.586 151 N N 0.694 119.430 118.700 0.059 0.000 2.482 151 N HA 0.340 5.080 4.740 -0.000 0.000 0.279 151 N C -0.724 174.709 175.510 -0.129 0.000 1.182 151 N CA -0.462 52.606 53.050 0.030 0.000 0.969 151 N CB 1.039 39.538 38.487 0.019 0.000 1.201 151 N HN 0.061 nan 8.380 nan 0.000 0.523 152 L N 1.910 122.906 121.223 -0.379 0.000 2.435 152 L HA 0.236 4.576 4.340 -0.000 0.000 0.253 152 L C 1.236 177.914 176.870 -0.320 0.000 1.087 152 L CA -0.297 54.196 54.840 -0.579 0.000 0.950 152 L CB 0.757 42.092 42.059 -1.206 0.000 1.304 152 L HN 0.620 nan 8.230 nan 0.000 0.453 153 S N -0.621 114.989 115.700 -0.150 0.000 2.453 153 S HA -0.075 4.395 4.470 -0.000 0.000 0.231 153 S C 1.833 176.394 174.600 -0.064 0.000 1.005 153 S CA 0.750 58.910 58.200 -0.066 0.000 0.949 153 S CB -0.058 63.117 63.200 -0.041 0.000 0.774 153 S HN 0.633 nan 8.310 nan 0.000 0.510 154 G N 0.754 109.499 108.800 -0.091 0.000 2.534 154 G HA2 0.016 3.976 3.960 -0.000 0.000 0.217 154 G HA3 0.016 3.976 3.960 -0.000 0.000 0.217 154 G C 0.665 175.521 174.900 -0.073 0.000 1.128 154 G CA -0.102 44.954 45.100 -0.074 0.000 0.784 154 G HN 0.373 nan 8.290 nan 0.000 0.542 155 Q N 0.582 120.316 119.800 -0.110 0.000 2.330 155 Q HA 0.481 4.821 4.340 -0.000 0.000 0.279 155 Q C -0.081 175.933 176.000 0.023 0.000 1.024 155 Q CA 0.325 56.092 55.803 -0.059 0.000 0.900 155 Q CB 1.303 29.985 28.738 -0.093 0.000 1.221 155 Q HN 0.294 nan 8.270 nan 0.000 0.396 156 A N 1.996 124.837 122.820 0.034 0.000 2.587 156 A HA 0.747 5.067 4.320 -0.000 0.000 0.293 156 A C -1.000 176.627 177.584 0.072 0.000 1.087 156 A CA -0.556 51.510 52.037 0.048 0.000 0.692 156 A CB 1.452 20.465 19.000 0.022 0.000 1.291 156 A HN 0.484 nan 8.150 nan 0.000 0.407 157 V N -1.940 118.031 119.914 0.095 0.000 3.040 157 V HA 0.953 5.073 4.120 -0.000 0.000 0.312 157 V C -0.485 175.692 176.094 0.138 0.000 1.115 157 V CA -0.497 61.881 62.300 0.130 0.000 0.998 157 V CB 1.598 33.538 31.823 0.194 0.000 1.042 157 V HN 0.903 nan 8.190 nan 0.000 0.433 158 T N 2.884 117.523 114.554 0.143 0.000 2.824 158 T HA 0.625 4.975 4.350 -0.000 0.000 0.282 158 T C -0.407 174.352 174.700 0.097 0.000 0.993 158 T CA -0.516 61.661 62.100 0.128 0.000 0.967 158 T CB 1.339 70.306 68.868 0.165 0.000 0.960 158 T HN 0.786 nan 8.240 nan 0.000 0.441 159 R N 2.365 122.911 120.500 0.076 0.000 2.443 159 R HA 0.595 4.935 4.340 -0.000 0.000 0.287 159 R C -0.844 175.483 176.300 0.045 0.000 1.425 159 R CA -0.576 55.546 56.100 0.036 0.000 1.300 159 R CB 0.957 31.258 30.300 0.000 0.000 1.129 159 R HN 0.523 nan 8.270 nan 0.000 0.577 160 V N -1.791 118.148 119.914 0.043 0.000 3.147 160 V HA 0.491 4.611 4.120 -0.000 0.000 0.306 160 V C -0.069 176.047 176.094 0.036 0.000 1.209 160 V CA -1.122 61.205 62.300 0.045 0.000 1.023 160 V CB 2.034 33.891 31.823 0.056 0.000 1.059 160 V HN 0.113 nan 8.190 nan 0.000 0.435 161 V N 3.138 123.076 119.914 0.040 0.000 2.529 161 V HA 0.530 4.650 4.120 -0.000 0.000 0.292 161 V C 1.667 177.782 176.094 0.034 0.000 1.028 161 V CA 1.861 64.184 62.300 0.039 0.000 1.074 161 V CB 0.078 31.927 31.823 0.042 0.000 0.958 161 V HN 2.031 nan 8.190 nan 0.000 0.481 162 G N 3.304 112.119 108.800 0.025 0.000 2.213 162 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.226 162 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.226 162 G C 0.970 175.846 174.900 -0.040 0.000 0.992 162 G CA 0.247 45.348 45.100 0.003 0.000 0.632 162 G HN 2.017 nan 8.290 nan 0.000 0.511 163 G N 0.295 109.082 108.800 -0.022 0.000 2.627 163 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.312 163 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.312 163 G C 1.205 176.042 174.900 -0.104 0.000 1.299 163 G CA 1.407 46.486 45.100 -0.035 0.000 0.989 163 G HN 1.101 nan 8.290 nan 0.000 0.547 164 M N 1.648 121.148 119.600 -0.168 0.000 2.630 164 M HA 0.026 4.506 4.480 -0.000 0.000 0.254 164 M C 2.618 178.575 176.300 -0.572 0.000 1.092 164 M CA 1.534 56.596 55.300 -0.396 0.000 1.087 164 M CB -0.094 32.374 32.600 -0.220 0.000 1.453 164 M HN 0.656 nan 8.290 nan 0.000 0.509 165 S N -0.868 114.559 115.700 -0.455 0.000 2.607 165 S HA -0.044 4.426 4.470 -0.000 0.000 0.224 165 S C 1.631 176.095 174.600 -0.227 0.000 0.969 165 S CA 0.954 58.764 58.200 -0.651 0.000 0.927 165 S CB -0.823 62.011 63.200 -0.609 0.000 0.772 165 S HN 0.548 nan 8.310 nan 0.000 0.533 166 T N -0.683 113.742 114.554 -0.215 0.000 3.148 166 T HA 0.072 4.422 4.350 -0.000 0.000 0.253 166 T C 1.240 175.782 174.700 -0.264 0.000 1.134 166 T CA 0.785 62.786 62.100 -0.165 0.000 1.051 166 T CB -0.684 68.174 68.868 -0.016 0.000 0.959 166 T HN 0.898 nan 8.240 nan 0.000 0.525 167 H N -2.149 116.830 119.070 -0.151 0.000 3.854 167 H HA 0.182 4.738 4.556 -0.000 0.000 0.264 167 H C 0.523 176.084 175.328 0.389 0.000 1.170 167 H CA -0.980 55.143 56.048 0.126 0.000 1.167 167 H CB -0.553 29.275 29.762 0.111 0.000 1.558 167 H HN 0.455 nan 8.280 nan 0.000 0.751 168 W N 2.945 124.245 121.300 0.000 0.000 2.042 168 W HA 0.256 4.916 4.660 -0.000 0.000 0.358 168 W C 0.002 176.656 176.519 0.226 0.000 1.325 168 W CA 0.178 57.616 57.345 0.155 0.000 1.311 168 W CB -0.258 29.218 29.460 0.028 0.000 1.210 168 W HN -0.155 nan 8.180 nan 0.000 0.620 169 T N 0.866 115.448 114.554 0.048 0.000 3.067 169 T HA 0.001 4.351 4.350 -0.000 0.000 0.261 169 T C 1.021 175.348 174.700 -0.621 0.000 1.110 169 T CA 1.183 63.138 62.100 -0.241 0.000 1.113 169 T CB -0.488 68.392 68.868 0.019 0.000 0.917 169 T HN 0.664 nan 8.240 nan 0.000 0.499 170 C N 0.975 119.526 119.300 -1.249 0.000 4.552 170 C HA -0.096 4.364 4.460 -0.000 0.000 0.268 170 C C 1.046 175.560 174.990 -0.794 0.000 1.288 170 C CA -0.757 57.222 59.018 -1.733 0.000 1.776 170 C CB -2.640 24.587 27.740 -0.855 0.000 1.415 170 C HN 0.754 nan 8.230 nan 0.000 0.729 171 A N 1.095 123.667 122.820 -0.414 0.000 2.354 171 A HA 0.586 4.906 4.320 -0.000 0.000 0.281 171 A C 0.756 178.268 177.584 -0.120 0.000 1.174 171 A CA 1.048 52.986 52.037 -0.166 0.000 0.828 171 A CB 0.205 19.173 19.000 -0.055 0.000 1.099 171 A HN 1.380 nan 8.150 nan 0.000 0.516 172 T N 1.553 116.051 114.554 -0.093 0.000 3.466 172 T HA 0.509 4.859 4.350 -0.000 0.000 0.297 172 T C -2.659 172.003 174.700 -0.062 0.000 1.640 172 T CA -1.509 60.570 62.100 -0.035 0.000 1.631 172 T CB 0.522 69.401 68.868 0.019 0.000 0.928 172 T HN 0.451 nan 8.240 nan 0.000 0.688 173 P HA 0.383 nan 4.420 nan 0.000 0.277 173 P C -0.206 176.969 177.300 -0.208 0.000 1.240 173 P CA -0.636 62.382 63.100 -0.137 0.000 0.798 173 P CB 1.200 32.803 31.700 -0.162 0.000 0.979 174 R N 0.853 121.157 120.500 -0.326 0.000 2.615 174 R HA 0.398 4.738 4.340 -0.000 0.000 0.270 174 R C 0.090 176.296 176.300 -0.157 0.000 1.081 174 R CA -0.430 55.300 56.100 -0.616 0.000 1.154 174 R CB 0.177 29.917 30.300 -0.933 0.000 1.063 174 R HN 0.378 nan 8.270 nan 0.000 0.519 175 F N 1.809 121.547 119.950 -0.354 0.000 2.396 175 F HA 0.061 4.588 4.527 -0.000 0.000 0.343 175 F C 0.951 176.569 175.800 -0.302 0.000 1.104 175 F CA -1.556 56.254 58.000 -0.316 0.000 1.161 175 F CB 0.348 39.149 39.000 -0.331 0.000 1.146 175 F HN 0.544 nan 8.300 nan 0.000 0.522 176 D N 2.275 122.606 120.400 -0.114 0.000 2.398 176 D HA 0.135 4.775 4.640 -0.000 0.000 0.247 176 D C 1.043 177.253 176.300 -0.149 0.000 1.227 176 D CA -0.417 53.513 54.000 -0.117 0.000 0.980 176 D CB 0.582 41.331 40.800 -0.084 0.000 1.106 176 D HN 0.467 nan 8.370 nan 0.000 0.493 177 R N -0.404 120.034 120.500 -0.104 0.000 2.091 177 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 177 R C 2.079 178.323 176.300 -0.093 0.000 1.136 177 R CA 1.452 57.498 56.100 -0.089 0.000 0.959 177 R CB -0.226 30.057 30.300 -0.028 0.000 0.856 177 R HN 0.627 nan 8.270 nan 0.000 0.437 178 E N 0.576 120.722 120.200 -0.090 0.000 2.171 178 E HA -0.246 4.104 4.350 -0.000 0.000 0.197 178 E C 1.606 178.093 176.600 -0.189 0.000 0.997 178 E CA 1.365 57.714 56.400 -0.084 0.000 0.810 178 E CB 0.125 29.826 29.700 0.003 0.000 0.738 178 E HN 0.453 nan 8.360 nan 0.000 0.467 179 Q N -0.600 118.986 119.800 -0.357 0.000 2.356 179 Q HA 0.103 4.443 4.340 -0.000 0.000 0.205 179 Q C 0.448 176.343 176.000 -0.175 0.000 0.901 179 Q CA -0.063 55.469 55.803 -0.451 0.000 0.938 179 Q CB 0.594 28.741 28.738 -0.986 0.000 1.081 179 Q HN -0.065 nan 8.270 nan 0.000 0.517 180 R N 1.905 122.344 120.500 -0.101 0.000 2.460 180 R HA 0.298 4.638 4.340 -0.000 0.000 0.303 180 R C -2.557 173.731 176.300 -0.019 0.000 0.968 180 R CA -2.148 53.898 56.100 -0.090 0.000 0.889 180 R CB 0.991 31.069 30.300 -0.369 0.000 1.123 180 R HN -0.124 nan 8.270 nan 0.000 0.455 181 P HA 0.048 nan 4.420 nan 0.000 0.275 181 P C -0.614 176.864 177.300 0.297 0.000 1.228 181 P CA -0.109 63.086 63.100 0.159 0.000 0.786 181 P CB 0.605 32.407 31.700 0.169 0.000 0.927 182 L N 3.263 124.606 121.223 0.199 0.000 2.367 182 L HA 0.137 4.477 4.340 -0.000 0.000 0.275 182 L C 1.631 178.627 176.870 0.210 0.000 1.129 182 L CA -0.107 54.909 54.840 0.293 0.000 0.839 182 L CB 0.301 42.567 42.059 0.344 0.000 1.133 182 L HN 0.397 nan 8.230 nan 0.000 0.453 183 L N 3.828 125.217 121.223 0.278 0.000 2.425 183 L HA 0.178 4.518 4.340 -0.000 0.000 0.215 183 L C -0.035 177.005 176.870 0.284 0.000 1.065 183 L CA 0.327 55.224 54.840 0.096 0.000 0.842 183 L CB 0.618 42.519 42.059 -0.264 0.000 1.033 183 L HN 0.333 nan 8.230 nan 0.000 0.474 184 V N 1.267 121.350 119.914 0.283 0.000 2.487 184 V HA 0.236 4.356 4.120 -0.000 0.000 0.298 184 V C -0.377 175.821 176.094 0.174 0.000 1.028 184 V CA -0.974 61.440 62.300 0.191 0.000 0.860 184 V CB 1.689 33.570 31.823 0.097 0.000 0.991 184 V HN 0.184 nan 8.190 nan 0.000 0.427 185 K N 2.309 122.699 120.400 -0.016 0.000 2.118 185 K HA 0.486 4.806 4.320 -0.000 0.000 0.267 185 K C -0.519 176.058 176.600 -0.038 0.000 0.991 185 K CA -0.589 55.656 56.287 -0.071 0.000 0.916 185 K CB 0.897 33.189 32.500 -0.347 0.000 1.041 185 K HN 0.583 nan 8.250 nan 0.000 0.455 186 D N 1.198 121.600 120.400 0.003 0.000 2.723 186 D HA -0.156 4.484 4.640 -0.000 0.000 0.236 186 D C -0.935 175.376 176.300 0.019 0.000 1.138 186 D CA 1.442 55.447 54.000 0.008 0.000 0.676 186 D CB -0.743 40.048 40.800 -0.015 0.000 1.069 186 D HN 0.790 nan 8.370 nan 0.000 0.430 187 D N -1.596 118.829 120.400 0.041 0.000 2.684 187 D HA 0.292 4.932 4.640 -0.000 0.000 0.233 187 D C 0.799 177.140 176.300 0.068 0.000 1.374 187 D CA 0.233 54.260 54.000 0.044 0.000 0.906 187 D CB 0.076 40.896 40.800 0.032 0.000 1.526 187 D HN 0.021 nan 8.370 nan 0.000 0.518 188 A N 1.876 124.738 122.820 0.070 0.000 1.969 188 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 188 A C 1.653 179.290 177.584 0.089 0.000 1.169 188 A CA 1.325 53.414 52.037 0.086 0.000 0.635 188 A CB 0.039 19.082 19.000 0.070 0.000 0.810 188 A HN 0.407 nan 8.150 nan 0.000 0.445 189 D N 0.183 120.624 120.400 0.068 0.000 2.117 189 D HA -0.029 4.611 4.640 -0.000 0.000 0.198 189 D C 2.223 178.565 176.300 0.069 0.000 0.982 189 D CA 1.512 55.550 54.000 0.063 0.000 0.828 189 D CB -0.383 40.445 40.800 0.046 0.000 0.967 189 D HN 0.419 nan 8.370 nan 0.000 0.464 190 A N 0.684 123.542 122.820 0.064 0.000 1.897 190 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 190 A C 1.959 179.591 177.584 0.080 0.000 1.181 190 A CA 1.848 53.919 52.037 0.057 0.000 0.620 190 A CB -0.581 18.443 19.000 0.041 0.000 0.821 190 A HN 0.156 nan 8.150 nan 0.000 0.443 191 D N -0.167 120.305 120.400 0.121 0.000 2.117 191 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 191 D C 1.288 177.762 176.300 0.290 0.000 0.987 191 D CA 1.573 55.695 54.000 0.203 0.000 0.829 191 D CB -0.093 40.861 40.800 0.257 0.000 0.961 191 D HN 0.348 nan 8.370 nan 0.000 0.460 192 D N -0.207 120.325 120.400 0.221 0.000 2.097 192 D HA -0.126 4.514 4.640 -0.000 0.000 0.195 192 D C 2.038 178.457 176.300 0.198 0.000 0.989 192 D CA 1.508 55.641 54.000 0.221 0.000 0.827 192 D CB -0.650 40.231 40.800 0.136 0.000 0.966 192 D HN 0.309 nan 8.370 nan 0.000 0.456 193 A N 0.752 123.646 122.820 0.124 0.000 1.908 193 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 193 A C 2.143 179.763 177.584 0.059 0.000 1.181 193 A CA 2.112 54.199 52.037 0.082 0.000 0.627 193 A CB -0.599 18.431 19.000 0.050 0.000 0.818 193 A HN 0.225 nan 8.150 nan 0.000 0.445 194 E N -1.039 119.177 120.200 0.026 0.000 2.077 194 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 194 E C 1.676 178.195 176.600 -0.136 0.000 0.989 194 E CA 1.507 57.851 56.400 -0.094 0.000 0.800 194 E CB -0.425 29.167 29.700 -0.179 0.000 0.746 194 E HN 0.743 nan 8.360 nan 0.000 0.452 195 W N 0.569 121.842 121.300 -0.044 0.000 2.388 195 W HA -0.057 4.603 4.660 -0.000 0.000 0.294 195 W C 2.116 178.658 176.519 0.038 0.000 1.212 195 W CA 1.054 58.345 57.345 -0.091 0.000 1.271 195 W CB -0.279 29.173 29.460 -0.014 0.000 1.126 195 W HN 0.220 nan 8.180 nan 0.000 0.535 196 D N 0.001 120.586 120.400 0.307 0.000 2.097 196 D HA -0.201 4.439 4.640 -0.000 0.000 0.195 196 D C 2.134 178.516 176.300 0.138 0.000 0.989 196 D CA 1.482 55.623 54.000 0.235 0.000 0.827 196 D CB -0.176 40.713 40.800 0.149 0.000 0.966 196 D HN -0.074 nan 8.370 nan 0.000 0.456 197 R N -0.265 120.269 120.500 0.057 0.000 2.097 197 R HA -0.137 4.203 4.340 -0.000 0.000 0.236 197 R C 2.535 178.806 176.300 -0.049 0.000 1.135 197 R CA 1.509 57.603 56.100 -0.009 0.000 0.934 197 R CB -0.445 29.828 30.300 -0.044 0.000 0.846 197 R HN 0.253 nan 8.270 nan 0.000 0.431 198 L N -0.707 120.454 121.223 -0.104 0.000 2.012 198 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 198 L C 2.461 179.275 176.870 -0.093 0.000 1.073 198 L CA 1.378 56.107 54.840 -0.185 0.000 0.748 198 L CB -0.647 41.199 42.059 -0.355 0.000 0.891 198 L HN 0.272 nan 8.230 nan 0.000 0.431 199 Y N 0.370 120.676 120.300 0.011 0.000 2.242 199 Y HA -0.214 4.336 4.550 -0.000 0.000 0.291 199 Y C 2.886 178.769 175.900 -0.029 0.000 1.137 199 Y CA 1.471 59.582 58.100 0.019 0.000 1.181 199 Y CB -1.092 37.410 38.460 0.069 0.000 0.989 199 Y HN 0.147 nan 8.280 nan 0.000 0.527 200 T N -0.319 114.316 114.554 0.135 0.000 2.684 200 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 200 T C 1.995 176.663 174.700 -0.053 0.000 1.036 200 T CA 1.737 63.861 62.100 0.039 0.000 1.148 200 T CB -0.178 68.705 68.868 0.025 0.000 0.863 200 T HN 0.213 nan 8.240 nan 0.000 0.436 201 K N 0.704 121.017 120.400 -0.145 0.000 2.057 201 K HA 0.010 4.330 4.320 -0.000 0.000 0.206 201 K C 2.547 178.828 176.600 -0.530 0.000 1.050 201 K CA 1.097 57.167 56.287 -0.362 0.000 0.935 201 K CB -0.277 31.962 32.500 -0.435 0.000 0.715 201 K HN 0.278 nan 8.250 nan 0.000 0.439 202 A N 1.260 123.887 122.820 -0.320 0.000 1.933 202 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 202 A C 1.796 179.395 177.584 0.026 0.000 1.175 202 A CA 1.681 53.605 52.037 -0.189 0.000 0.628 202 A CB -0.444 18.547 19.000 -0.016 0.000 0.814 202 A HN 0.421 nan 8.150 nan 0.000 0.444 203 E N 0.171 120.417 120.200 0.077 0.000 2.110 203 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 203 E C 2.357 179.039 176.600 0.136 0.000 0.988 203 E CA 1.465 57.952 56.400 0.145 0.000 0.804 203 E CB -0.203 29.555 29.700 0.095 0.000 0.745 203 E HN 0.805 nan 8.360 nan 0.000 0.458 204 S N 0.185 115.914 115.700 0.048 0.000 2.383 204 S HA -0.181 4.289 4.470 -0.000 0.000 0.227 204 S C 1.926 176.670 174.600 0.240 0.000 1.026 204 S CA 0.728 58.985 58.200 0.096 0.000 0.981 204 S CB -0.415 62.810 63.200 0.042 0.000 0.818 204 S HN 0.210 nan 8.310 nan 0.000 0.472 205 Y N 0.449 120.774 120.300 0.042 0.000 2.224 205 Y HA 0.125 4.675 4.550 -0.000 0.000 0.289 205 Y C 2.029 177.977 175.900 0.081 0.000 1.146 205 Y CA -0.030 58.066 58.100 -0.007 0.000 1.182 205 Y CB -1.024 37.351 38.460 -0.142 0.000 0.983 205 Y HN 0.321 nan 8.280 nan 0.000 0.524 206 F N 0.106 120.212 119.950 0.259 0.000 2.754 206 F HA 0.064 4.591 4.527 -0.000 0.000 0.297 206 F C 0.810 176.723 175.800 0.188 0.000 1.122 206 F CA 0.154 58.296 58.000 0.237 0.000 1.400 206 F CB -0.184 38.975 39.000 0.266 0.000 1.117 206 F HN -0.013 nan 8.300 nan 0.000 0.587 207 Q N 0.453 120.451 119.800 0.330 0.000 2.478 207 Q HA -0.183 4.157 4.340 -0.000 0.000 0.286 207 Q C 0.060 176.144 176.000 0.140 0.000 1.299 207 Q CA 0.743 56.661 55.803 0.192 0.000 0.826 207 Q CB -2.709 26.119 28.738 0.150 0.000 1.199 207 Q HN 0.215 nan 8.270 nan 0.000 0.451 208 T N 0.042 114.694 114.554 0.162 0.000 2.928 208 T HA 0.454 4.804 4.350 -0.000 0.000 0.305 208 T C 0.793 175.521 174.700 0.047 0.000 1.035 208 T CA 0.625 62.781 62.100 0.094 0.000 1.145 208 T CB 1.301 70.235 68.868 0.110 0.000 0.963 208 T HN 0.500 nan 8.240 nan 0.000 0.545 209 G N 0.726 109.536 108.800 0.017 0.000 2.645 209 G HA2 0.561 4.521 3.960 -0.000 0.000 0.292 209 G HA3 0.561 4.521 3.960 -0.000 0.000 0.292 209 G C -0.102 174.802 174.900 0.007 0.000 1.415 209 G CA -0.494 44.608 45.100 0.005 0.000 0.785 209 G HN 0.624 nan 8.290 nan 0.000 0.483 210 T N -2.430 112.128 114.554 0.007 0.000 3.460 210 T HA 0.272 4.622 4.350 -0.000 0.000 0.304 210 T C 0.044 174.753 174.700 0.014 0.000 0.991 210 T CA 0.497 62.611 62.100 0.024 0.000 0.975 210 T CB 0.437 69.325 68.868 0.034 0.000 1.196 210 T HN 0.497 nan 8.240 nan 0.000 0.490 211 D N 0.429 120.816 120.400 -0.022 0.000 2.474 211 D HA 0.063 4.703 4.640 -0.000 0.000 0.213 211 D C 1.406 177.627 176.300 -0.133 0.000 1.120 211 D CA -0.018 53.946 54.000 -0.060 0.000 0.836 211 D CB -0.025 40.735 40.800 -0.066 0.000 1.019 211 D HN 0.286 nan 8.370 nan 0.000 0.507 212 Q N -0.520 119.192 119.800 -0.146 0.000 2.369 212 Q HA 0.171 4.511 4.340 -0.000 0.000 0.206 212 Q C 0.329 175.926 176.000 -0.671 0.000 0.963 212 Q CA 0.822 56.403 55.803 -0.369 0.000 0.894 212 Q CB -0.194 28.308 28.738 -0.392 0.000 0.965 212 Q HN 0.283 nan 8.270 nan 0.000 0.475 213 F N -0.152 119.631 119.950 -0.279 0.000 2.683 213 F HA 0.217 4.744 4.527 -0.000 0.000 0.306 213 F C 1.278 176.862 175.800 -0.360 0.000 1.102 213 F CA -0.513 57.276 58.000 -0.351 0.000 1.244 213 F CB 0.399 39.115 39.000 -0.473 0.000 1.029 213 F HN -0.012 nan 8.300 nan 0.000 0.545 214 K N 0.368 120.654 120.400 -0.189 0.000 2.211 214 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 214 K C 0.984 177.475 176.600 -0.181 0.000 1.047 214 K CA 1.802 58.023 56.287 -0.111 0.000 0.935 214 K CB -0.172 32.255 32.500 -0.121 0.000 0.728 214 K HN 0.318 nan 8.250 nan 0.000 0.452 215 E N 1.353 121.331 120.200 -0.370 0.000 2.548 215 E HA 0.061 4.411 4.350 -0.000 0.000 0.206 215 E C -0.694 175.700 176.600 -0.344 0.000 1.005 215 E CA -0.329 55.609 56.400 -0.769 0.000 0.951 215 E CB 0.931 30.074 29.700 -0.928 0.000 1.035 215 E HN 0.241 nan 8.360 nan 0.000 0.470 216 S N 0.583 116.249 115.700 -0.055 0.000 2.531 216 S HA 0.115 4.584 4.470 -0.000 0.000 0.279 216 S C 1.291 175.971 174.600 0.133 0.000 1.305 216 S CA -0.362 57.881 58.200 0.071 0.000 1.058 216 S CB 0.439 63.744 63.200 0.175 0.000 0.899 216 S HN 0.205 nan 8.310 nan 0.000 0.493 217 I N 4.980 125.513 120.570 -0.062 0.000 2.142 217 I HA -0.189 3.981 4.170 -0.000 0.000 0.240 217 I C 2.705 178.657 176.117 -0.276 0.000 1.078 217 I CA 1.347 62.365 61.300 -0.471 0.000 1.343 217 I CB -0.248 37.253 38.000 -0.832 0.000 1.046 217 I HN 0.704 nan 8.210 nan 0.000 0.405 218 R N -0.562 119.863 120.500 -0.126 0.000 2.096 218 R HA -0.227 4.113 4.340 -0.000 0.000 0.235 218 R C 2.343 178.662 176.300 0.031 0.000 1.127 218 R CA 1.697 57.770 56.100 -0.046 0.000 0.968 218 R CB -0.710 29.575 30.300 -0.025 0.000 0.861 218 R HN 0.451 nan 8.270 nan 0.000 0.440 219 H N 1.189 120.267 119.070 0.014 0.000 2.290 219 H HA -0.045 4.511 4.556 -0.000 0.000 0.298 219 H C 1.777 177.164 175.328 0.098 0.000 1.087 219 H CA 1.882 57.960 56.048 0.051 0.000 1.291 219 H CB -0.062 29.759 29.762 0.099 0.000 1.369 219 H HN 0.122 nan 8.280 nan 0.000 0.492 220 N N -0.008 118.776 118.700 0.140 0.000 2.270 220 N HA -0.116 4.624 4.740 -0.000 0.000 0.181 220 N C 1.985 177.617 175.510 0.205 0.000 1.016 220 N CA 0.840 54.006 53.050 0.193 0.000 0.870 220 N CB -0.151 38.661 38.487 0.541 0.000 0.979 220 N HN 0.275 nan 8.380 nan 0.000 0.431 221 L N 1.408 122.766 121.223 0.225 0.000 2.013 221 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 221 L C 2.138 179.053 176.870 0.074 0.000 1.073 221 L CA 1.465 56.436 54.840 0.219 0.000 0.753 221 L CB -0.571 41.572 42.059 0.139 0.000 0.890 221 L HN -0.096 nan 8.230 nan 0.000 0.432 222 V N -1.240 118.665 119.914 -0.015 0.000 2.346 222 V HA -0.216 3.904 4.120 -0.000 0.000 0.244 222 V C 2.354 178.361 176.094 -0.145 0.000 1.037 222 V CA 1.398 63.654 62.300 -0.073 0.000 1.029 222 V CB -0.558 31.198 31.823 -0.112 0.000 0.663 222 V HN 0.446 nan 8.190 nan 0.000 0.454 223 L N 1.024 122.123 121.223 -0.205 0.000 1.989 223 L HA -0.193 4.147 4.340 -0.000 0.000 0.211 223 L C 2.218 179.015 176.870 -0.120 0.000 1.071 223 L CA 2.126 56.846 54.840 -0.201 0.000 0.749 223 L CB -0.936 40.973 42.059 -0.250 0.000 0.890 223 L HN 0.319 nan 8.230 nan 0.000 0.431 224 N N -0.363 118.314 118.700 -0.037 0.000 2.142 224 N HA -0.192 4.548 4.740 -0.000 0.000 0.186 224 N C 1.833 177.323 175.510 -0.034 0.000 1.023 224 N CA 1.248 54.296 53.050 -0.003 0.000 0.852 224 N CB -0.293 38.222 38.487 0.046 0.000 0.998 224 N HN 0.269 nan 8.380 nan 0.000 0.424 225 K N 1.444 121.821 120.400 -0.038 0.000 2.025 225 K HA 0.069 4.389 4.320 -0.000 0.000 0.207 225 K C 1.940 178.493 176.600 -0.079 0.000 1.049 225 K CA 0.905 57.171 56.287 -0.036 0.000 0.933 225 K CB -0.517 31.979 32.500 -0.007 0.000 0.714 225 K HN 0.114 nan 8.250 nan 0.000 0.438 226 L N 0.242 121.350 121.223 -0.192 0.000 2.083 226 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 226 L C 2.241 178.910 176.870 -0.336 0.000 1.083 226 L CA 1.719 56.320 54.840 -0.398 0.000 0.752 226 L CB -0.815 40.614 42.059 -1.050 0.000 0.899 226 L HN 0.264 nan 8.230 nan 0.000 0.433 227 T N -0.779 113.637 114.554 -0.231 0.000 2.684 227 T HA -0.247 4.103 4.350 -0.000 0.000 0.267 227 T C 1.798 176.541 174.700 0.072 0.000 1.036 227 T CA 1.740 63.859 62.100 0.032 0.000 1.148 227 T CB -0.172 68.731 68.868 0.059 0.000 0.863 227 T HN 0.441 nan 8.240 nan 0.000 0.436 228 E N 0.888 121.099 120.200 0.018 0.000 2.051 228 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 228 E C 2.015 178.619 176.600 0.007 0.000 0.991 228 E CA 1.089 57.496 56.400 0.013 0.000 0.799 228 E CB -0.068 29.624 29.700 -0.014 0.000 0.748 228 E HN 0.352 nan 8.360 nan 0.000 0.449 229 E N -0.263 119.929 120.200 -0.014 0.000 2.204 229 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 229 E C 0.922 177.403 176.600 -0.198 0.000 0.990 229 E CA 0.908 57.240 56.400 -0.114 0.000 0.821 229 E CB -0.137 29.472 29.700 -0.151 0.000 0.750 229 E HN 0.473 nan 8.360 nan 0.000 0.477 230 Y N 0.356 120.686 120.300 0.050 0.000 2.708 230 Y HA 0.172 4.722 4.550 -0.000 0.000 0.287 230 Y C 0.654 176.613 175.900 0.098 0.000 1.145 230 Y CA -0.378 57.787 58.100 0.109 0.000 1.249 230 Y CB 0.422 39.032 38.460 0.249 0.000 1.152 230 Y HN -0.325 nan 8.280 nan 0.000 0.532 231 K N 0.753 121.244 120.400 0.152 0.000 2.447 231 K HA 0.103 4.423 4.320 -0.000 0.000 0.281 231 K C 1.082 177.744 176.600 0.103 0.000 1.031 231 K CA 1.164 57.522 56.287 0.120 0.000 1.019 231 K CB 0.281 32.821 32.500 0.066 0.000 0.918 231 K HN 0.677 nan 8.250 nan 0.000 0.476 232 G N 3.416 112.278 108.800 0.104 0.000 2.155 232 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.257 232 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.257 232 G C 0.573 175.529 174.900 0.093 0.000 0.983 232 G CA 0.873 46.022 45.100 0.082 0.000 0.676 232 G HN 0.744 nan 8.290 nan 0.000 0.528 233 Q N -1.570 118.312 119.800 0.137 0.000 2.534 233 Q HA 0.274 4.614 4.340 -0.000 0.000 0.252 233 Q C 1.191 177.270 176.000 0.132 0.000 0.850 233 Q CA 0.208 56.100 55.803 0.149 0.000 0.974 233 Q CB 0.939 29.807 28.738 0.217 0.000 1.205 233 Q HN 0.504 nan 8.270 nan 0.000 0.593 234 R N 0.412 121.001 120.500 0.149 0.000 2.707 234 R HA 0.390 4.730 4.340 -0.000 0.000 0.272 234 R C -1.746 174.578 176.300 0.040 0.000 1.011 234 R CA -0.782 55.323 56.100 0.009 0.000 0.893 234 R CB 1.644 31.775 30.300 -0.281 0.000 1.233 234 R HN -0.070 nan 8.270 nan 0.000 0.464 235 D N 1.283 121.628 120.400 -0.091 0.000 2.193 235 D HA 0.391 5.031 4.640 -0.000 0.000 0.244 235 D C -0.885 175.259 176.300 -0.260 0.000 1.064 235 D CA 0.078 54.056 54.000 -0.038 0.000 0.845 235 D CB 0.952 41.738 40.800 -0.024 0.000 1.148 235 D HN 0.129 nan 8.370 nan 0.000 0.464 236 F N 1.072 121.020 119.950 -0.004 0.000 2.538 236 F HA 0.467 4.994 4.527 -0.000 0.000 0.325 236 F C 0.680 176.489 175.800 0.015 0.000 1.066 236 F CA -0.641 57.351 58.000 -0.014 0.000 0.946 236 F CB 1.661 40.646 39.000 -0.025 0.000 1.199 236 F HN 0.224 nan 8.300 nan 0.000 0.473 237 Q N -0.075 119.835 119.800 0.182 0.000 2.814 237 Q HA 0.338 4.678 4.340 -0.000 0.000 0.322 237 Q C -1.620 174.488 176.000 0.181 0.000 0.861 237 Q CA -1.282 54.614 55.803 0.156 0.000 0.773 237 Q CB 1.742 30.537 28.738 0.095 0.000 1.423 237 Q HN 0.616 nan 8.270 nan 0.000 0.495 238 Q N 0.912 120.838 119.800 0.209 0.000 2.352 238 Q HA 0.283 4.623 4.340 -0.000 0.000 0.260 238 Q C -0.563 175.499 176.000 0.104 0.000 0.976 238 Q CA -0.322 55.610 55.803 0.215 0.000 0.881 238 Q CB 0.601 29.430 28.738 0.151 0.000 1.235 238 Q HN 0.588 nan 8.270 nan 0.000 0.419 239 I N 6.450 127.062 120.570 0.069 0.000 2.741 239 I HA -0.055 4.115 4.170 -0.000 0.000 0.288 239 I C -1.977 174.158 176.117 0.030 0.000 1.192 239 I CA -1.364 59.956 61.300 0.033 0.000 1.426 239 I CB 0.174 38.166 38.000 -0.014 0.000 1.367 239 I HN 0.442 nan 8.210 nan 0.000 0.563 240 P HA 0.173 nan 4.420 nan 0.000 0.266 240 P C -0.906 176.389 177.300 -0.007 0.000 1.215 240 P CA 0.230 63.334 63.100 0.007 0.000 0.763 240 P CB 0.376 32.069 31.700 -0.013 0.000 0.806 241 L N 2.561 123.788 121.223 0.006 0.000 2.346 241 L HA 0.634 4.974 4.340 -0.000 0.000 0.276 241 L C 0.488 177.337 176.870 -0.035 0.000 1.006 241 L CA -1.174 53.662 54.840 -0.007 0.000 0.817 241 L CB 1.897 44.022 42.059 0.109 0.000 1.272 241 L HN 0.239 nan 8.230 nan 0.000 0.421 242 A N 3.120 125.874 122.820 -0.109 0.000 2.539 242 A HA 0.735 5.055 4.320 -0.000 0.000 0.306 242 A C 0.070 177.648 177.584 -0.010 0.000 1.392 242 A CA 0.135 52.144 52.037 -0.047 0.000 1.060 242 A CB -0.388 18.507 19.000 -0.175 0.000 1.134 242 A HN 0.826 nan 8.150 nan 0.000 0.542 243 A N 2.020 124.806 122.820 -0.057 0.000 2.581 243 A HA 0.694 5.014 4.320 -0.000 0.000 0.294 243 A C -0.507 176.942 177.584 -0.226 0.000 1.035 243 A CA -0.485 51.410 52.037 -0.236 0.000 0.684 243 A CB 0.584 19.221 19.000 -0.605 0.000 1.282 243 A HN 0.699 nan 8.150 nan 0.000 0.417 244 T N 1.528 115.928 114.554 -0.258 0.000 2.815 244 T HA 0.479 4.829 4.350 -0.000 0.000 0.289 244 T C 0.038 174.583 174.700 -0.258 0.000 1.000 244 T CA -0.418 61.563 62.100 -0.197 0.000 0.958 244 T CB 1.101 69.915 68.868 -0.091 0.000 0.944 244 T HN 0.730 nan 8.240 nan 0.000 0.442 245 R N 2.579 122.909 120.500 -0.284 0.000 2.449 245 R HA 0.169 4.509 4.340 -0.000 0.000 0.296 245 R C 0.855 177.075 176.300 -0.133 0.000 1.047 245 R CA -0.191 55.746 56.100 -0.273 0.000 1.018 245 R CB 0.360 30.462 30.300 -0.330 0.000 0.962 245 R HN 0.462 nan 8.270 nan 0.000 0.428 246 R N 1.359 121.839 120.500 -0.032 0.000 2.254 246 R HA 0.118 4.458 4.340 -0.000 0.000 0.193 246 R C 0.236 176.518 176.300 -0.031 0.000 0.929 246 R CA 0.593 56.685 56.100 -0.012 0.000 1.038 246 R CB 0.487 30.799 30.300 0.020 0.000 1.009 246 R HN 0.756 nan 8.270 nan 0.000 0.512 247 S N -1.125 114.572 115.700 -0.006 0.000 2.643 247 S HA 0.368 4.838 4.470 -0.000 0.000 0.270 247 S C -2.662 171.912 174.600 -0.043 0.000 1.166 247 S CA -1.067 57.119 58.200 -0.024 0.000 0.815 247 S CB 2.206 65.408 63.200 0.003 0.000 1.139 247 S HN -0.278 nan 8.310 nan 0.000 0.472 248 P HA 0.072 nan 4.420 nan 0.000 0.228 248 P C 0.853 178.130 177.300 -0.038 0.000 1.151 248 P CA 1.351 64.413 63.100 -0.063 0.000 0.770 248 P CB -0.202 31.475 31.700 -0.039 0.000 0.786 249 T N -6.479 108.085 114.554 0.015 0.000 3.145 249 T HA 0.306 4.656 4.350 -0.000 0.000 0.281 249 T C -0.280 174.482 174.700 0.102 0.000 1.003 249 T CA -0.324 61.804 62.100 0.048 0.000 0.901 249 T CB -0.563 68.350 68.868 0.074 0.000 1.112 249 T HN -0.122 nan 8.240 nan 0.000 0.535 250 F N 1.780 121.676 119.950 -0.089 0.000 2.617 250 F HA 0.635 5.162 4.527 -0.000 0.000 0.325 250 F C -1.476 174.207 175.800 -0.195 0.000 1.179 250 F CA -1.115 56.829 58.000 -0.093 0.000 0.965 250 F CB 1.803 40.761 39.000 -0.069 0.000 1.232 250 F HN -0.104 nan 8.300 nan 0.000 0.461 251 V N 5.189 124.788 119.914 -0.526 0.000 2.417 251 V HA 0.293 4.413 4.120 -0.000 0.000 0.291 251 V C -0.265 175.308 176.094 -0.869 0.000 1.024 251 V CA -0.832 61.058 62.300 -0.683 0.000 0.861 251 V CB 1.653 32.862 31.823 -1.024 0.000 0.985 251 V HN 0.712 nan 8.190 nan 0.000 0.436 252 E N 4.358 124.306 120.200 -0.421 0.000 1.996 252 E HA 0.177 4.527 4.350 -0.000 0.000 0.280 252 E C -1.108 175.295 176.600 -0.329 0.000 1.092 252 E CA -0.546 55.748 56.400 -0.177 0.000 0.862 252 E CB 0.440 30.224 29.700 0.139 0.000 1.066 252 E HN 0.626 nan 8.360 nan 0.000 0.396 253 W N 2.644 123.850 121.300 -0.157 0.000 2.202 253 W HA 0.167 4.827 4.660 -0.000 0.000 0.332 253 W C 0.589 177.132 176.519 0.040 0.000 1.263 253 W CA -0.495 56.736 57.345 -0.191 0.000 1.223 253 W CB 0.922 30.044 29.460 -0.563 0.000 1.128 253 W HN 0.305 nan 8.180 nan 0.000 0.573 254 S N 1.328 117.237 115.700 0.348 0.000 2.632 254 S HA 0.642 5.112 4.470 -0.000 0.000 0.267 254 S C 0.096 175.162 174.600 0.775 0.000 1.276 254 S CA -0.623 57.860 58.200 0.471 0.000 0.998 254 S CB 1.191 64.660 63.200 0.447 0.000 0.953 254 S HN 0.503 nan 8.310 nan 0.000 0.547 255 S N -0.135 115.956 115.700 0.650 0.000 2.757 255 S HA 0.697 5.167 4.470 -0.000 0.000 0.285 255 S C 0.754 175.562 174.600 0.347 0.000 1.196 255 S CA -0.280 58.226 58.200 0.510 0.000 0.856 255 S CB 0.521 63.945 63.200 0.373 0.000 1.212 255 S HN 0.687 nan 8.310 nan 0.000 0.516 256 A N 1.498 124.410 122.820 0.154 0.000 1.908 256 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 256 A C 2.007 179.640 177.584 0.083 0.000 1.181 256 A CA 1.952 54.033 52.037 0.074 0.000 0.627 256 A CB -1.562 17.448 19.000 0.018 0.000 0.818 256 A HN 0.863 nan 8.150 nan 0.000 0.445 257 N N -0.402 118.356 118.700 0.097 0.000 2.137 257 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 257 N C 1.478 177.021 175.510 0.056 0.000 1.017 257 N CA 2.084 55.169 53.050 0.057 0.000 0.859 257 N CB -0.192 38.342 38.487 0.078 0.000 1.002 257 N HN 0.470 nan 8.380 nan 0.000 0.428 258 T N 0.130 114.767 114.554 0.137 0.000 2.867 258 T HA -0.029 4.321 4.350 -0.000 0.000 0.268 258 T C 2.007 176.751 174.700 0.074 0.000 1.057 258 T CA 0.869 63.056 62.100 0.144 0.000 1.136 258 T CB -0.013 69.022 68.868 0.278 0.000 0.874 258 T HN 0.070 nan 8.240 nan 0.000 0.466 259 V N -0.563 119.370 119.914 0.033 0.000 2.535 259 V HA 0.252 4.372 4.120 -0.000 0.000 0.246 259 V C 0.355 176.409 176.094 -0.066 0.000 1.045 259 V CA 0.776 63.013 62.300 -0.106 0.000 1.058 259 V CB -0.283 31.415 31.823 -0.208 0.000 0.689 259 V HN 0.467 nan 8.190 nan 0.000 0.461 260 F N 0.922 120.745 119.950 -0.211 0.000 2.622 260 F HA 0.384 4.911 4.527 -0.000 0.000 0.318 260 F C 0.098 175.784 175.800 -0.189 0.000 1.135 260 F CA -1.493 56.356 58.000 -0.252 0.000 1.015 260 F CB 1.490 40.284 39.000 -0.343 0.000 1.275 260 F HN 0.147 nan 8.300 nan 0.000 0.457 261 D N 4.371 124.312 120.400 -0.766 0.000 2.363 261 D HA 0.005 4.644 4.640 -0.000 0.000 0.220 261 D C 1.063 177.105 176.300 -0.430 0.000 0.994 261 D CA 0.977 54.695 54.000 -0.469 0.000 0.890 261 D CB -0.063 40.511 40.800 -0.377 0.000 0.906 261 D HN 0.638 nan 8.370 nan 0.000 0.530 262 L N -1.718 119.115 121.223 -0.650 0.000 4.429 262 L HA -0.240 4.100 4.340 -0.000 0.000 0.422 262 L C -0.260 176.584 176.870 -0.045 0.000 1.149 262 L CA 0.451 55.181 54.840 -0.184 0.000 0.972 262 L CB -1.386 40.695 42.059 0.037 0.000 2.059 262 L HN 0.243 nan 8.230 nan 0.000 0.870 263 Q N 0.666 120.337 119.800 -0.215 0.000 2.259 263 Q HA 0.306 4.646 4.340 -0.000 0.000 0.249 263 Q C 0.329 176.374 176.000 0.075 0.000 0.914 263 Q CA -0.282 55.475 55.803 -0.076 0.000 0.904 263 Q CB 0.968 29.624 28.738 -0.137 0.000 1.213 263 Q HN 0.113 nan 8.270 nan 0.000 0.428 264 N N 1.863 120.608 118.700 0.075 0.000 2.492 264 N HA 0.117 4.857 4.740 -0.000 0.000 0.260 264 N C -0.320 175.249 175.510 0.098 0.000 1.215 264 N CA 0.313 53.421 53.050 0.096 0.000 0.923 264 N CB 0.644 39.106 38.487 -0.042 0.000 1.092 264 N HN 0.240 nan 8.380 nan 0.000 0.448 265 R N 1.432 122.025 120.500 0.155 0.000 2.807 265 R HA 0.530 4.870 4.340 -0.000 0.000 0.276 265 R C -2.480 173.893 176.300 0.123 0.000 0.979 265 R CA -1.652 54.531 56.100 0.139 0.000 0.928 265 R CB 1.462 31.875 30.300 0.189 0.000 1.191 265 R HN 0.355 nan 8.270 nan 0.000 0.471 266 P HA 0.148 nan 4.420 nan 0.000 0.275 266 P C -1.291 176.060 177.300 0.084 0.000 1.228 266 P CA -0.404 62.785 63.100 0.148 0.000 0.786 266 P CB 0.702 32.533 31.700 0.218 0.000 0.927 267 N N -1.221 117.513 118.700 0.057 0.000 3.278 267 N HA 0.309 5.049 4.740 -0.000 0.000 0.307 267 N C 0.431 175.948 175.510 0.013 0.000 1.551 267 N CA -0.699 52.365 53.050 0.025 0.000 0.794 267 N CB -0.590 37.901 38.487 0.006 0.000 1.770 267 N HN 0.045 nan 8.380 nan 0.000 0.612 268 T N -0.837 113.717 114.554 -0.001 0.000 2.857 268 T HA -0.047 4.303 4.350 -0.000 0.000 0.266 268 T C 0.360 175.053 174.700 -0.011 0.000 1.048 268 T CA 1.339 63.435 62.100 -0.007 0.000 1.139 268 T CB -0.417 68.444 68.868 -0.011 0.000 0.874 268 T HN 0.489 nan 8.240 nan 0.000 0.455 269 D N 1.553 121.944 120.400 -0.015 0.000 2.224 269 D HA 0.118 4.758 4.640 -0.000 0.000 0.205 269 D C 1.003 177.296 176.300 -0.012 0.000 0.965 269 D CA 0.576 54.564 54.000 -0.021 0.000 0.852 269 D CB 0.125 40.903 40.800 -0.036 0.000 0.947 269 D HN 0.411 nan 8.370 nan 0.000 0.494 270 A N 1.225 124.046 122.820 0.002 0.000 3.355 270 A HA 0.300 4.620 4.320 -0.000 0.000 0.290 270 A C -1.818 175.797 177.584 0.052 0.000 0.973 270 A CA -0.833 51.219 52.037 0.025 0.000 0.933 270 A CB 0.866 19.884 19.000 0.029 0.000 1.138 270 A HN -0.148 nan 8.150 nan 0.000 0.490 271 P HA -0.155 nan 4.420 nan 0.000 0.219 271 P C 0.619 177.924 177.300 0.008 0.000 1.146 271 P CA 1.323 64.430 63.100 0.012 0.000 0.808 271 P CB 0.432 32.111 31.700 -0.035 0.000 0.779 272 E N -0.677 119.543 120.200 0.034 0.000 2.538 272 E HA 0.115 4.465 4.350 -0.000 0.000 0.207 272 E C 0.173 176.987 176.600 0.357 0.000 1.002 272 E CA -0.063 56.370 56.400 0.054 0.000 0.952 272 E CB 0.514 30.176 29.700 -0.063 0.000 1.031 272 E HN 0.458 nan 8.360 nan 0.000 0.476 273 E N 0.943 121.312 120.200 0.282 0.000 2.248 273 E HA 0.389 4.739 4.350 -0.000 0.000 0.272 273 E C -0.338 176.408 176.600 0.244 0.000 1.008 273 E CA -0.379 56.168 56.400 0.245 0.000 0.856 273 E CB 1.310 31.117 29.700 0.180 0.000 1.120 273 E HN -0.104 nan 8.360 nan 0.000 0.397 274 R N 1.967 122.566 120.500 0.165 0.000 2.483 274 R HA 0.436 4.776 4.340 -0.000 0.000 0.303 274 R C -1.491 174.928 176.300 0.199 0.000 0.987 274 R CA -0.555 55.602 56.100 0.095 0.000 0.881 274 R CB 1.091 31.331 30.300 -0.099 0.000 1.177 274 R HN 0.393 nan 8.270 nan 0.000 0.451 275 F N 2.027 121.996 119.950 0.031 0.000 2.596 275 F HA 0.471 4.998 4.527 -0.000 0.000 0.311 275 F C -1.581 174.176 175.800 -0.072 0.000 1.116 275 F CA -0.643 57.363 58.000 0.010 0.000 0.957 275 F CB 2.189 41.272 39.000 0.138 0.000 1.250 275 F HN 0.420 nan 8.300 nan 0.000 0.444 276 N N 4.400 122.486 118.700 -1.024 0.000 2.249 276 N HA 0.610 5.350 4.740 -0.000 0.000 0.296 276 N C -2.130 172.434 175.510 -1.576 0.000 1.051 276 N CA -0.671 51.738 53.050 -1.068 0.000 0.815 276 N CB 2.380 40.399 38.487 -0.780 0.000 1.487 276 N HN 0.559 nan 8.380 nan 0.000 0.475 277 L N 2.372 122.874 121.223 -1.201 0.000 2.322 277 L HA 0.661 5.001 4.340 -0.000 0.000 0.281 277 L C -1.748 174.584 176.870 -0.898 0.000 1.014 277 L CA -0.383 53.960 54.840 -0.828 0.000 0.815 277 L CB 0.331 42.248 42.059 -0.237 0.000 1.247 277 L HN 0.482 nan 8.230 nan 0.000 0.421 278 F N 6.234 125.948 119.950 -0.393 0.000 2.443 278 F HA 0.547 5.074 4.527 -0.000 0.000 0.369 278 F C -2.156 173.600 175.800 -0.074 0.000 1.090 278 F CA -1.931 55.931 58.000 -0.229 0.000 1.129 278 F CB 0.837 39.673 39.000 -0.273 0.000 1.367 278 F HN 0.412 nan 8.300 nan 0.000 0.465 279 P HA 0.271 nan 4.420 nan 0.000 0.274 279 P C 0.064 177.425 177.300 0.102 0.000 1.256 279 P CA -0.118 63.028 63.100 0.077 0.000 0.795 279 P CB 0.902 32.627 31.700 0.042 0.000 1.038 280 A N -1.212 121.651 122.820 0.073 0.000 2.783 280 A HA -0.118 4.202 4.320 -0.000 0.000 0.292 280 A C -0.014 177.604 177.584 0.057 0.000 1.495 280 A CA 0.767 52.840 52.037 0.060 0.000 0.787 280 A CB -2.398 16.635 19.000 0.055 0.000 1.017 280 A HN 0.255 nan 8.150 nan 0.000 0.516 281 V N -0.179 119.786 119.914 0.084 0.000 2.407 281 V HA 0.653 4.773 4.120 -0.000 0.000 0.291 281 V C 0.612 176.721 176.094 0.026 0.000 1.018 281 V CA -0.285 62.065 62.300 0.083 0.000 0.842 281 V CB 1.529 33.492 31.823 0.234 0.000 0.996 281 V HN 1.418 nan 8.190 nan 0.000 0.426 282 A N 4.367 127.178 122.820 -0.016 0.000 2.347 282 A HA 0.432 4.752 4.320 -0.000 0.000 0.287 282 A C 0.122 177.691 177.584 -0.024 0.000 1.199 282 A CA -0.163 51.855 52.037 -0.031 0.000 0.851 282 A CB -0.120 18.908 19.000 0.047 0.000 1.118 282 A HN 0.865 nan 8.150 nan 0.000 0.525 283 C N 3.142 122.403 119.300 -0.065 0.000 2.303 283 C HA 0.308 4.768 4.460 -0.000 0.000 0.341 283 C C 1.405 176.369 174.990 -0.043 0.000 1.244 283 C CA -0.254 58.715 59.018 -0.081 0.000 1.765 283 C CB -0.577 27.104 27.740 -0.099 0.000 2.379 283 C HN 1.028 nan 8.230 nan 0.000 0.530 284 E N 1.321 121.525 120.200 0.007 0.000 2.162 284 E HA 0.073 4.423 4.350 -0.000 0.000 0.193 284 E C 0.570 177.154 176.600 -0.028 0.000 0.953 284 E CA 0.477 56.885 56.400 0.013 0.000 0.849 284 E CB 0.413 30.162 29.700 0.082 0.000 0.810 284 E HN 0.764 nan 8.360 nan 0.000 0.470 285 R N -0.205 120.288 120.500 -0.011 0.000 2.690 285 R HA 0.415 4.755 4.340 -0.000 0.000 0.269 285 R C -0.937 175.334 176.300 -0.048 0.000 1.037 285 R CA -0.822 55.252 56.100 -0.043 0.000 0.877 285 R CB 1.006 31.269 30.300 -0.061 0.000 1.255 285 R HN -0.068 nan 8.270 nan 0.000 0.467 286 V N -0.673 119.193 119.914 -0.081 0.000 2.472 286 V HA 0.629 4.749 4.120 -0.000 0.000 0.290 286 V C 0.001 176.035 176.094 -0.101 0.000 1.037 286 V CA -0.855 61.357 62.300 -0.146 0.000 0.908 286 V CB 1.691 33.369 31.823 -0.241 0.000 0.985 286 V HN 0.508 nan 8.190 nan 0.000 0.454 287 V N 5.596 125.440 119.914 -0.117 0.000 2.432 287 V HA 0.454 4.573 4.120 -0.000 0.000 0.275 287 V C 0.637 176.709 176.094 -0.036 0.000 1.043 287 V CA -0.414 61.849 62.300 -0.062 0.000 0.925 287 V CB 0.899 32.702 31.823 -0.034 0.000 0.985 287 V HN 0.944 nan 8.190 nan 0.000 0.466 288 R N 3.901 124.399 120.500 -0.002 0.000 2.410 288 R HA 0.308 4.648 4.340 -0.000 0.000 0.288 288 R C 0.319 176.655 176.300 0.061 0.000 1.051 288 R CA -0.622 55.533 56.100 0.093 0.000 1.021 288 R CB 0.721 31.057 30.300 0.060 0.000 1.032 288 R HN 0.875 nan 8.270 nan 0.000 0.481 289 N N 1.798 120.549 118.700 0.085 0.000 2.326 289 N HA -0.045 4.695 4.740 -0.000 0.000 0.239 289 N C 0.623 176.133 175.510 0.001 0.000 1.301 289 N CA 0.307 53.376 53.050 0.031 0.000 0.909 289 N CB 0.437 38.938 38.487 0.023 0.000 1.156 289 N HN 0.575 nan 8.380 nan 0.000 0.462 290 A N 0.532 123.344 122.820 -0.014 0.000 1.933 290 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 290 A C 2.224 179.780 177.584 -0.046 0.000 1.175 290 A CA 1.053 53.074 52.037 -0.027 0.000 0.628 290 A CB -0.804 18.182 19.000 -0.022 0.000 0.814 290 A HN 0.653 nan 8.150 nan 0.000 0.444 291 L N -0.796 120.390 121.223 -0.062 0.000 2.552 291 L HA -0.020 4.320 4.340 -0.000 0.000 0.227 291 L C 0.031 176.797 176.870 -0.174 0.000 1.146 291 L CA 0.003 54.785 54.840 -0.096 0.000 0.858 291 L CB -0.438 41.568 42.059 -0.089 0.000 0.969 291 L HN 0.407 nan 8.230 nan 0.000 0.451 292 N N 0.191 118.775 118.700 -0.194 0.000 2.725 292 N HA -0.177 4.563 4.740 -0.000 0.000 0.251 292 N C 0.850 175.756 175.510 -1.006 0.000 1.031 292 N CA 1.066 53.879 53.050 -0.395 0.000 0.720 292 N CB -1.161 37.227 38.487 -0.165 0.000 0.930 292 N HN 0.525 nan 8.380 nan 0.000 0.543 293 S N -1.925 113.348 115.700 -0.712 0.000 2.603 293 S HA 0.291 4.761 4.470 -0.000 0.000 0.232 293 S C 0.241 174.640 174.600 -0.336 0.000 1.016 293 S CA -0.209 57.629 58.200 -0.602 0.000 0.976 293 S CB 1.507 64.558 63.200 -0.248 0.000 0.921 293 S HN 0.411 nan 8.310 nan 0.000 0.516 294 E N 0.372 120.500 120.200 -0.119 0.000 2.378 294 E HA 0.374 4.724 4.350 -0.000 0.000 0.283 294 E C -1.829 174.979 176.600 0.346 0.000 0.979 294 E CA -0.790 55.749 56.400 0.230 0.000 0.795 294 E CB 1.186 30.965 29.700 0.133 0.000 1.221 294 E HN 0.090 nan 8.360 nan 0.000 0.428 295 I N 3.742 124.471 120.570 0.265 0.000 2.342 295 I HA 0.155 4.325 4.170 -0.000 0.000 0.291 295 I C 0.913 177.010 176.117 -0.033 0.000 1.010 295 I CA -0.009 61.272 61.300 -0.031 0.000 1.308 295 I CB 1.265 38.996 38.000 -0.449 0.000 1.400 295 I HN 0.683 nan 8.210 nan 0.000 0.488 296 E N 3.346 123.519 120.200 -0.045 0.000 2.307 296 E HA 0.077 4.427 4.350 -0.000 0.000 0.195 296 E C 0.415 177.066 176.600 0.085 0.000 0.975 296 E CA 0.375 56.811 56.400 0.060 0.000 0.878 296 E CB 0.577 30.307 29.700 0.051 0.000 0.845 296 E HN 0.729 nan 8.360 nan 0.000 0.488 297 S N -0.523 115.140 115.700 -0.061 0.000 2.643 297 S HA 0.455 4.925 4.470 -0.000 0.000 0.266 297 S C -1.759 172.797 174.600 -0.073 0.000 1.130 297 S CA -1.056 57.177 58.200 0.056 0.000 0.817 297 S CB 1.031 64.291 63.200 0.100 0.000 1.107 297 S HN 0.009 nan 8.310 nan 0.000 0.471 298 L N 1.847 123.118 121.223 0.079 0.000 2.349 298 L HA 0.650 4.990 4.340 -0.000 0.000 0.278 298 L C -0.809 176.057 176.870 -0.007 0.000 0.996 298 L CA -0.181 54.667 54.840 0.013 0.000 0.825 298 L CB 1.280 43.381 42.059 0.070 0.000 1.243 298 L HN 1.007 nan 8.230 nan 0.000 0.412 299 H N 5.327 124.349 119.070 -0.079 0.000 2.668 299 H HA 0.561 5.117 4.556 -0.000 0.000 0.303 299 H C -0.312 174.959 175.328 -0.095 0.000 1.074 299 H CA -0.139 55.869 56.048 -0.067 0.000 1.406 299 H CB 0.599 30.325 29.762 -0.060 0.000 1.442 299 H HN 0.660 nan 8.280 nan 0.000 0.482 300 I N 1.886 122.257 120.570 -0.331 0.000 2.648 300 I HA 0.397 4.567 4.170 -0.000 0.000 0.304 300 I C -0.990 175.073 176.117 -0.091 0.000 1.009 300 I CA -0.954 60.225 61.300 -0.202 0.000 1.114 300 I CB 2.290 40.090 38.000 -0.335 0.000 1.293 300 I HN 0.628 nan 8.210 nan 0.000 0.449 301 H N 3.981 123.007 119.070 -0.074 0.000 2.646 301 H HA 0.221 4.777 4.556 -0.000 0.000 0.328 301 H C -1.423 173.921 175.328 0.027 0.000 0.998 301 H CA -0.672 55.359 56.048 -0.028 0.000 1.225 301 H CB 1.556 31.334 29.762 0.026 0.000 1.457 301 H HN 0.768 nan 8.280 nan 0.000 0.505 302 D N 5.575 125.919 120.400 -0.093 0.000 2.339 302 D HA 0.003 4.643 4.640 -0.000 0.000 0.256 302 D C 1.048 177.152 176.300 -0.327 0.000 1.214 302 D CA -0.103 53.846 54.000 -0.085 0.000 0.877 302 D CB 1.051 41.927 40.800 0.127 0.000 1.111 302 D HN 0.677 nan 8.370 nan 0.000 0.478 303 L N 4.164 125.238 121.223 -0.247 0.000 2.313 303 L HA -0.098 4.242 4.340 -0.000 0.000 0.214 303 L C 1.896 178.713 176.870 -0.087 0.000 1.119 303 L CA 0.128 54.831 54.840 -0.228 0.000 0.809 303 L CB -0.032 41.986 42.059 -0.069 0.000 0.933 303 L HN 0.510 nan 8.230 nan 0.000 0.449 304 I N -0.440 120.111 120.570 -0.031 0.000 2.270 304 I HA -0.145 4.025 4.170 -0.000 0.000 0.239 304 I C 2.734 178.859 176.117 0.012 0.000 1.080 304 I CA 1.653 62.956 61.300 0.006 0.000 1.383 304 I CB -1.311 36.707 38.000 0.031 0.000 1.097 304 I HN 0.249 nan 8.210 nan 0.000 0.420 305 S N 0.428 116.143 115.700 0.025 0.000 2.461 305 S HA 0.100 4.570 4.470 -0.000 0.000 0.228 305 S C 1.840 176.457 174.600 0.029 0.000 1.005 305 S CA 0.762 58.986 58.200 0.039 0.000 0.942 305 S CB -0.164 63.081 63.200 0.075 0.000 0.776 305 S HN 0.625 nan 8.310 nan 0.000 0.514 306 G N 1.035 109.841 108.800 0.010 0.000 2.176 306 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.253 306 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.253 306 G C -0.375 174.605 174.900 0.134 0.000 0.979 306 G CA 0.171 45.331 45.100 0.100 0.000 0.641 306 G HN 0.552 nan 8.290 nan 0.000 0.530 307 D N 0.564 120.966 120.400 0.004 0.000 2.341 307 D HA 0.476 5.116 4.640 -0.000 0.000 0.245 307 D C 0.924 177.040 176.300 -0.308 0.000 1.106 307 D CA 0.169 54.041 54.000 -0.213 0.000 0.905 307 D CB 0.657 41.239 40.800 -0.363 0.000 1.202 307 D HN 0.397 nan 8.370 nan 0.000 0.426 308 R N 1.280 121.470 120.500 -0.516 0.000 2.589 308 R HA 0.630 4.970 4.340 -0.000 0.000 0.293 308 R C -0.760 175.053 176.300 -0.811 0.000 0.963 308 R CA -0.683 55.124 56.100 -0.488 0.000 0.905 308 R CB 1.361 31.527 30.300 -0.222 0.000 1.144 308 R HN 0.276 nan 8.270 nan 0.000 0.459 309 F N -0.071 119.674 119.950 -0.342 0.000 2.613 309 F HA 0.310 4.837 4.527 -0.000 0.000 0.310 309 F C -0.049 175.539 175.800 -0.353 0.000 1.085 309 F CA -1.014 56.831 58.000 -0.258 0.000 0.945 309 F CB 1.941 40.828 39.000 -0.188 0.000 1.298 309 F HN 0.169 nan 8.300 nan 0.000 0.455 310 E N 2.746 122.957 120.200 0.018 0.000 2.133 310 E HA 0.411 4.761 4.350 -0.000 0.000 0.274 310 E C -0.865 175.762 176.600 0.046 0.000 0.930 310 E CA -0.443 55.962 56.400 0.008 0.000 0.770 310 E CB 2.140 31.879 29.700 0.064 0.000 1.104 310 E HN 0.302 nan 8.360 nan 0.000 0.403 311 I N 2.512 123.100 120.570 0.031 0.000 2.359 311 I HA 0.262 4.432 4.170 -0.000 0.000 0.294 311 I C 0.384 176.610 176.117 0.181 0.000 0.987 311 I CA -0.770 60.583 61.300 0.087 0.000 1.225 311 I CB 1.213 39.229 38.000 0.026 0.000 1.366 311 I HN 0.279 nan 8.210 nan 0.000 0.466 312 K N 4.885 125.387 120.400 0.169 0.000 2.159 312 K HA 0.802 5.122 4.320 -0.000 0.000 0.266 312 K C -1.009 175.650 176.600 0.098 0.000 0.975 312 K CA -0.328 56.072 56.287 0.189 0.000 0.865 312 K CB 1.747 34.327 32.500 0.133 0.000 1.087 312 K HN 0.793 nan 8.250 nan 0.000 0.446 313 A N 2.829 125.607 122.820 -0.070 0.000 2.527 313 A HA 0.374 4.694 4.320 -0.000 0.000 0.293 313 A C -0.520 176.921 177.584 -0.239 0.000 1.117 313 A CA -0.723 51.141 52.037 -0.289 0.000 0.723 313 A CB 1.212 19.789 19.000 -0.704 0.000 1.313 313 A HN 0.825 nan 8.150 nan 0.000 0.411 314 D N -0.492 119.821 120.400 -0.144 0.000 2.183 314 D HA 0.127 4.767 4.640 -0.000 0.000 0.203 314 D C 0.269 176.468 176.300 -0.168 0.000 0.969 314 D CA 1.616 55.601 54.000 -0.024 0.000 0.842 314 D CB 0.204 41.060 40.800 0.094 0.000 0.957 314 D HN 0.207 nan 8.370 nan 0.000 0.484 315 V N 0.366 120.023 119.914 -0.429 0.000 2.709 315 V HA 0.302 4.422 4.120 -0.000 0.000 0.308 315 V C -1.342 174.454 176.094 -0.497 0.000 1.062 315 V CA -0.920 61.117 62.300 -0.438 0.000 0.901 315 V CB 2.009 33.431 31.823 -0.668 0.000 1.003 315 V HN -0.081 nan 8.190 nan 0.000 0.425 316 Y N 2.678 122.945 120.300 -0.054 0.000 2.341 316 Y HA 0.714 5.264 4.550 -0.000 0.000 0.338 316 Y C -0.132 175.712 175.900 -0.093 0.000 0.965 316 Y CA -0.995 57.065 58.100 -0.068 0.000 1.108 316 Y CB 2.088 40.517 38.460 -0.052 0.000 1.180 316 Y HN 0.330 nan 8.280 nan 0.000 0.458 317 V N 5.250 125.114 119.914 -0.082 0.000 2.444 317 V HA 0.380 4.500 4.120 -0.000 0.000 0.294 317 V C -0.433 175.540 176.094 -0.201 0.000 1.022 317 V CA -0.945 61.199 62.300 -0.259 0.000 0.850 317 V CB 1.669 33.095 31.823 -0.661 0.000 0.992 317 V HN 0.603 nan 8.190 nan 0.000 0.426 318 L N 5.187 126.298 121.223 -0.188 0.000 2.264 318 L HA 0.503 4.843 4.340 -0.000 0.000 0.287 318 L C 0.449 177.245 176.870 -0.123 0.000 1.039 318 L CA -0.125 54.626 54.840 -0.148 0.000 0.829 318 L CB 1.304 43.250 42.059 -0.188 0.000 1.211 318 L HN 0.830 nan 8.230 nan 0.000 0.427 319 T N -1.607 112.907 114.554 -0.066 0.000 3.516 319 T HA 0.374 4.724 4.350 -0.000 0.000 0.245 319 T C 0.683 175.404 174.700 0.035 0.000 1.077 319 T CA -0.177 61.925 62.100 0.004 0.000 1.222 319 T CB 0.991 69.871 68.868 0.018 0.000 1.045 319 T HN 0.527 nan 8.240 nan 0.000 0.585 320 A N 0.801 123.649 122.820 0.047 0.000 2.379 320 A HA 0.769 5.089 4.320 -0.000 0.000 0.236 320 A C 1.388 179.051 177.584 0.132 0.000 1.272 320 A CA 0.052 52.135 52.037 0.078 0.000 0.886 320 A CB -0.796 18.245 19.000 0.069 0.000 0.962 320 A HN 1.696 nan 8.150 nan 0.000 0.504 321 G N -2.384 106.491 108.800 0.124 0.000 2.699 321 G HA2 0.244 4.204 3.960 -0.000 0.000 0.686 321 G HA3 0.244 4.204 3.960 -0.000 0.000 0.686 321 G C 0.800 175.792 174.900 0.155 0.000 1.301 321 G CA -0.283 44.894 45.100 0.128 0.000 0.816 321 G HN 1.296 nan 8.290 nan 0.000 0.595 322 A N -0.347 122.545 122.820 0.121 0.000 1.883 322 A HA 0.146 4.466 4.320 -0.000 0.000 0.217 322 A C 2.732 180.388 177.584 0.120 0.000 1.186 322 A CA 3.468 55.565 52.037 0.101 0.000 0.624 322 A CB -0.585 18.453 19.000 0.062 0.000 0.822 322 A HN 1.657 nan 8.150 nan 0.000 0.444 323 V N -0.707 119.232 119.914 0.043 0.000 2.323 323 V HA -0.243 3.877 4.120 -0.000 0.000 0.244 323 V C 2.247 178.335 176.094 -0.011 0.000 1.041 323 V CA 2.317 64.604 62.300 -0.023 0.000 1.025 323 V CB -1.097 30.593 31.823 -0.222 0.000 0.656 323 V HN 0.754 nan 8.190 nan 0.000 0.451 324 H N -0.505 118.637 119.070 0.119 0.000 2.512 324 H HA 0.016 4.572 4.556 -0.000 0.000 0.279 324 H C 2.238 177.566 175.328 0.000 0.000 0.999 324 H CA 0.690 56.767 56.048 0.048 0.000 1.283 324 H CB 0.110 29.881 29.762 0.015 0.000 1.421 324 H HN 0.329 nan 8.280 nan 0.000 0.554 325 N N -0.050 118.728 118.700 0.131 0.000 2.084 325 N HA -0.118 4.622 4.740 -0.000 0.000 0.190 325 N C 1.749 177.251 175.510 -0.014 0.000 1.030 325 N CA 1.771 54.836 53.050 0.025 0.000 0.849 325 N CB -0.450 38.049 38.487 0.019 0.000 1.012 325 N HN 0.306 nan 8.380 nan 0.000 0.423 326 T N 0.811 115.424 114.554 0.098 0.000 2.777 326 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 326 T C 1.846 176.418 174.700 -0.213 0.000 1.040 326 T CA 0.959 63.108 62.100 0.082 0.000 1.141 326 T CB -0.214 68.835 68.868 0.302 0.000 0.868 326 T HN 0.328 nan 8.240 nan 0.000 0.444 327 Q N 0.186 119.753 119.800 -0.387 0.000 2.077 327 Q HA -0.163 4.177 4.340 -0.000 0.000 0.206 327 Q C 2.276 178.021 176.000 -0.425 0.000 0.989 327 Q CA 1.276 56.578 55.803 -0.836 0.000 0.853 327 Q CB -0.255 28.308 28.738 -0.291 0.000 0.907 327 Q HN 0.322 nan 8.270 nan 0.000 0.418 328 L N 0.718 121.815 121.223 -0.211 0.000 2.017 328 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 328 L C 2.094 178.873 176.870 -0.151 0.000 1.073 328 L CA 1.615 56.363 54.840 -0.154 0.000 0.745 328 L CB -1.102 40.889 42.059 -0.113 0.000 0.894 328 L HN 0.364 nan 8.230 nan 0.000 0.432 329 L N -1.530 119.582 121.223 -0.185 0.000 2.042 329 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 329 L C 2.500 179.387 176.870 0.029 0.000 1.076 329 L CA 1.030 55.777 54.840 -0.155 0.000 0.749 329 L CB -0.738 41.118 42.059 -0.338 0.000 0.893 329 L HN 0.079 nan 8.230 nan 0.000 0.432 330 V N -0.180 119.678 119.914 -0.092 0.000 2.358 330 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 330 V C 2.143 178.201 176.094 -0.060 0.000 1.047 330 V CA 1.903 64.168 62.300 -0.058 0.000 1.035 330 V CB -0.677 31.055 31.823 -0.152 0.000 0.658 330 V HN 0.472 nan 8.190 nan 0.000 0.452 331 N N 0.118 118.742 118.700 -0.127 0.000 2.430 331 N HA -0.119 4.621 4.740 -0.000 0.000 0.186 331 N C 1.557 177.039 175.510 -0.047 0.000 1.032 331 N CA 1.339 54.337 53.050 -0.086 0.000 0.893 331 N CB -0.069 38.355 38.487 -0.105 0.000 0.957 331 N HN 0.408 nan 8.380 nan 0.000 0.442 332 S N -1.882 113.819 115.700 0.001 0.000 2.540 332 S HA 0.347 4.817 4.470 -0.000 0.000 0.218 332 S C 1.085 175.679 174.600 -0.011 0.000 0.977 332 S CA 0.235 58.450 58.200 0.024 0.000 0.918 332 S CB 0.761 64.027 63.200 0.110 0.000 0.806 332 S HN 0.527 nan 8.310 nan 0.000 0.496 333 G N 1.186 109.980 108.800 -0.009 0.000 2.176 333 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.232 333 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.232 333 G C -0.067 174.745 174.900 -0.146 0.000 0.986 333 G CA -0.574 44.470 45.100 -0.093 0.000 0.643 333 G HN 0.397 nan 8.290 nan 0.000 0.522 334 F N 1.025 120.946 119.950 -0.050 0.000 2.410 334 F HA 0.515 5.042 4.527 -0.000 0.000 0.334 334 F C 1.705 177.513 175.800 0.013 0.000 1.134 334 F CA 1.179 59.166 58.000 -0.022 0.000 1.227 334 F CB 0.663 39.625 39.000 -0.064 0.000 1.194 334 F HN 0.821 nan 8.300 nan 0.000 0.571 335 G N 1.727 110.664 108.800 0.229 0.000 2.583 335 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.292 335 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.292 335 G C -0.656 174.316 174.900 0.119 0.000 1.203 335 G CA 0.414 45.618 45.100 0.172 0.000 0.987 335 G HN 0.929 nan 8.290 nan 0.000 0.554 336 Q N -1.341 118.536 119.800 0.128 0.000 2.391 336 Q HA 0.649 4.989 4.340 -0.000 0.000 0.279 336 Q C -1.669 174.416 176.000 0.140 0.000 1.028 336 Q CA -0.953 54.907 55.803 0.097 0.000 0.836 336 Q CB 1.910 30.686 28.738 0.063 0.000 1.414 336 Q HN 1.078 nan 8.270 nan 0.000 0.397 337 L N 2.295 123.589 121.223 0.118 0.000 2.344 337 L HA 0.901 5.241 4.340 -0.000 0.000 0.272 337 L C 0.169 177.128 176.870 0.148 0.000 1.035 337 L CA 1.396 56.338 54.840 0.170 0.000 0.807 337 L CB 1.620 43.750 42.059 0.119 0.000 1.237 337 L HN 0.903 nan 8.230 nan 0.000 0.442 338 G N 2.753 111.693 108.800 0.232 0.000 2.757 338 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.638 338 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.638 338 G C -0.631 174.185 174.900 -0.140 0.000 1.344 338 G CA -0.281 44.907 45.100 0.146 0.000 0.855 338 G HN 0.882 nan 8.290 nan 0.000 0.537 339 R N 0.924 121.110 120.500 -0.524 0.000 2.458 339 R HA 0.398 4.738 4.340 -0.000 0.000 0.303 339 R C -1.780 174.119 176.300 -0.669 0.000 1.013 339 R CA -0.615 54.773 56.100 -1.187 0.000 1.026 339 R CB 0.071 29.893 30.300 -0.797 0.000 0.948 339 R HN 0.390 nan 8.270 nan 0.000 0.417 340 P HA 0.012 nan 4.420 nan 0.000 0.270 340 P C -1.347 175.798 177.300 -0.258 0.000 1.223 340 P CA -0.112 62.784 63.100 -0.339 0.000 0.785 340 P CB 0.515 32.053 31.700 -0.269 0.000 0.923 341 N N 1.409 120.017 118.700 -0.153 0.000 2.542 341 N HA 0.203 4.943 4.740 -0.000 0.000 0.288 341 N C -2.412 173.055 175.510 -0.072 0.000 1.115 341 N CA -1.499 51.483 53.050 -0.113 0.000 0.924 341 N CB 1.630 40.056 38.487 -0.102 0.000 1.526 341 N HN 0.009 nan 8.380 nan 0.000 0.515 342 P HA 0.071 nan 4.420 nan 0.000 0.218 342 P C 0.986 178.270 177.300 -0.027 0.000 1.152 342 P CA 0.723 63.800 63.100 -0.039 0.000 0.826 342 P CB 0.204 31.881 31.700 -0.038 0.000 0.790 343 A N -1.114 121.688 122.820 -0.029 0.000 2.259 343 A HA -0.087 4.233 4.320 -0.000 0.000 0.212 343 A C 1.176 178.750 177.584 -0.018 0.000 1.178 343 A CA 1.136 53.160 52.037 -0.021 0.000 0.734 343 A CB -0.954 18.033 19.000 -0.022 0.000 0.774 343 A HN 0.107 nan 8.150 nan 0.000 0.481 344 N N -0.477 118.211 118.700 -0.020 0.000 2.639 344 N HA 0.193 4.933 4.740 -0.000 0.000 0.265 344 N C -3.362 172.140 175.510 -0.012 0.000 1.689 344 N CA -0.724 52.316 53.050 -0.017 0.000 0.813 344 N CB 1.374 39.847 38.487 -0.024 0.000 1.353 344 N HN 0.149 nan 8.380 nan 0.000 0.510 345 P HA 0.525 nan 4.420 nan 0.000 0.287 345 P C -2.677 174.634 177.300 0.020 0.000 1.270 345 P CA -1.168 61.938 63.100 0.009 0.000 0.844 345 P CB 0.733 32.442 31.700 0.015 0.000 1.068 346 P HA 0.146 nan 4.420 nan 0.000 0.272 346 P C 1.100 178.423 177.300 0.039 0.000 1.230 346 P CA -0.104 63.020 63.100 0.040 0.000 0.788 346 P CB 0.737 32.478 31.700 0.068 0.000 0.949 347 E N 0.571 120.786 120.200 0.025 0.000 2.051 347 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 347 E C 0.009 176.637 176.600 0.047 0.000 0.991 347 E CA 0.878 57.291 56.400 0.021 0.000 0.799 347 E CB 0.034 29.732 29.700 -0.002 0.000 0.748 347 E HN 0.349 nan 8.360 nan 0.000 0.449 348 L N 1.305 122.565 121.223 0.061 0.000 2.322 348 L HA 0.268 4.608 4.340 -0.000 0.000 0.281 348 L C 0.017 177.012 176.870 0.207 0.000 1.014 348 L CA -0.731 54.185 54.840 0.127 0.000 0.815 348 L CB 1.685 43.768 42.059 0.039 0.000 1.247 348 L HN 0.183 nan 8.230 nan 0.000 0.421 349 L N 4.353 125.727 121.223 0.251 0.000 3.887 349 L HA -0.196 4.144 4.340 -0.000 0.000 0.546 349 L C -1.302 175.682 176.870 0.189 0.000 1.196 349 L CA -0.522 54.463 54.840 0.242 0.000 0.777 349 L CB -0.800 41.430 42.059 0.285 0.000 1.346 349 L HN 0.606 nan 8.230 nan 0.000 0.810 350 P HA -0.152 nan 4.420 nan 0.000 0.221 350 P C 1.237 178.632 177.300 0.158 0.000 1.145 350 P CA 1.222 64.400 63.100 0.129 0.000 0.795 350 P CB 0.324 32.083 31.700 0.099 0.000 0.775 351 S N -0.758 115.058 115.700 0.195 0.000 2.524 351 S HA 0.058 4.528 4.470 -0.000 0.000 0.216 351 S C 0.864 175.625 174.600 0.268 0.000 0.987 351 S CA -0.441 57.921 58.200 0.270 0.000 0.909 351 S CB -0.653 62.714 63.200 0.279 0.000 0.781 351 S HN 0.066 nan 8.310 nan 0.000 0.521 352 L N 2.634 123.993 121.223 0.227 0.000 2.601 352 L HA 0.274 4.613 4.340 -0.000 0.000 0.277 352 L C 1.209 178.219 176.870 0.232 0.000 1.219 352 L CA 1.234 56.209 54.840 0.224 0.000 0.915 352 L CB -0.558 41.621 42.059 0.201 0.000 1.160 352 L HN 0.375 nan 8.230 nan 0.000 0.494 353 G N 2.376 111.323 108.800 0.246 0.000 2.162 353 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 353 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 353 G C 0.430 175.448 174.900 0.195 0.000 0.976 353 G CA 0.365 45.608 45.100 0.237 0.000 0.655 353 G HN 0.833 nan 8.290 nan 0.000 0.533 354 S N -1.604 114.212 115.700 0.193 0.000 2.664 354 S HA 0.674 5.144 4.470 -0.000 0.000 0.304 354 S C 0.281 174.988 174.600 0.179 0.000 1.099 354 S CA 0.072 58.310 58.200 0.064 0.000 1.003 354 S CB 1.047 64.185 63.200 -0.104 0.000 1.092 354 S HN 0.921 nan 8.310 nan 0.000 0.525 355 Y N -0.948 119.421 120.300 0.116 0.000 4.366 355 Y HA -0.188 4.362 4.550 -0.000 0.000 0.236 355 Y C 0.419 176.401 175.900 0.137 0.000 1.142 355 Y CA 0.146 58.312 58.100 0.110 0.000 2.024 355 Y CB -2.104 36.417 38.460 0.102 0.000 1.621 355 Y HN 0.637 nan 8.280 nan 0.000 0.694 356 I N 0.017 120.734 120.570 0.245 0.000 2.696 356 I HA 0.530 4.700 4.170 -0.000 0.000 0.284 356 I C 0.609 176.898 176.117 0.286 0.000 1.129 356 I CA 0.490 61.941 61.300 0.251 0.000 1.410 356 I CB 1.364 39.512 38.000 0.246 0.000 1.399 356 I HN 0.199 nan 8.210 nan 0.000 0.579 357 T N 1.860 116.537 114.554 0.204 0.000 2.893 357 T HA 0.674 5.024 4.350 -0.000 0.000 0.293 357 T C -0.716 173.999 174.700 0.025 0.000 1.027 357 T CA -0.695 61.505 62.100 0.168 0.000 0.988 357 T CB 2.016 70.933 68.868 0.081 0.000 1.043 357 T HN 0.830 nan 8.240 nan 0.000 0.461 358 E N 1.256 121.448 120.200 -0.013 0.000 2.314 358 E HA 0.359 4.709 4.350 -0.000 0.000 0.272 358 E C -1.012 175.685 176.600 0.163 0.000 0.884 358 E CA -0.567 55.798 56.400 -0.058 0.000 0.753 358 E CB 2.001 31.481 29.700 -0.366 0.000 1.213 358 E HN 0.704 nan 8.360 nan 0.000 0.432 359 Q N 1.172 121.082 119.800 0.183 0.000 2.352 359 Q HA 0.346 4.686 4.340 -0.000 0.000 0.260 359 Q C -0.357 175.861 176.000 0.362 0.000 0.976 359 Q CA -0.093 55.877 55.803 0.278 0.000 0.881 359 Q CB 1.081 30.032 28.738 0.355 0.000 1.235 359 Q HN 0.430 nan 8.270 nan 0.000 0.419 360 S N 1.509 117.386 115.700 0.295 0.000 2.562 360 S HA 0.308 4.778 4.470 -0.000 0.000 0.281 360 S C -0.724 173.959 174.600 0.137 0.000 1.333 360 S CA -0.398 57.867 58.200 0.109 0.000 1.052 360 S CB 0.330 63.494 63.200 -0.059 0.000 0.884 360 S HN 0.361 nan 8.310 nan 0.000 0.506 361 L N 4.997 126.269 121.223 0.081 0.000 2.438 361 L HA 0.686 5.026 4.340 -0.000 0.000 0.270 361 L C -0.908 175.848 176.870 -0.190 0.000 0.972 361 L CA -0.644 54.154 54.840 -0.070 0.000 0.831 361 L CB 1.625 43.647 42.059 -0.062 0.000 1.273 361 L HN 0.437 nan 8.230 nan 0.000 0.405 362 V N 2.168 121.880 119.914 -0.337 0.000 2.628 362 V HA 0.774 4.894 4.120 -0.000 0.000 0.306 362 V C -1.066 174.901 176.094 -0.212 0.000 1.045 362 V CA -0.647 61.363 62.300 -0.483 0.000 0.905 362 V CB 1.664 33.017 31.823 -0.784 0.000 0.997 362 V HN 0.797 nan 8.190 nan 0.000 0.436 363 F N 5.113 124.862 119.950 -0.336 0.000 2.591 363 F HA 0.877 5.404 4.527 -0.000 0.000 0.309 363 F C -0.358 175.309 175.800 -0.222 0.000 1.098 363 F CA -0.152 57.727 58.000 -0.202 0.000 0.937 363 F CB 1.539 40.458 39.000 -0.135 0.000 1.250 363 F HN 1.206 nan 8.300 nan 0.000 0.447 364 C N 2.670 121.319 119.300 -1.085 0.000 3.336 364 C HA 0.805 5.265 4.460 -0.000 0.000 0.339 364 C C -1.702 172.667 174.990 -1.035 0.000 1.468 364 C CA -0.698 57.653 59.018 -1.111 0.000 1.287 364 C CB 1.735 29.089 27.740 -0.643 0.000 1.682 364 C HN 0.954 nan 8.230 nan 0.000 0.451 365 Q N 0.486 119.948 119.800 -0.563 0.000 2.413 365 Q HA 0.752 5.092 4.340 -0.000 0.000 0.276 365 Q C -0.664 175.359 176.000 0.038 0.000 1.099 365 Q CA -0.213 55.484 55.803 -0.177 0.000 0.814 365 Q CB 2.711 31.332 28.738 -0.194 0.000 1.379 365 Q HN 0.952 nan 8.270 nan 0.000 0.436 366 T N -2.506 112.148 114.554 0.166 0.000 2.924 366 T HA 0.719 5.069 4.350 -0.000 0.000 0.291 366 T C -0.619 174.145 174.700 0.106 0.000 1.045 366 T CA -0.694 61.486 62.100 0.132 0.000 1.015 366 T CB 1.320 70.280 68.868 0.153 0.000 1.103 366 T HN 0.260 nan 8.240 nan 0.000 0.496 367 V N 2.806 122.751 119.914 0.051 0.000 2.409 367 V HA 0.420 4.540 4.120 -0.000 0.000 0.291 367 V C 0.264 176.371 176.094 0.022 0.000 1.020 367 V CA -0.932 61.389 62.300 0.036 0.000 0.848 367 V CB 1.280 33.115 31.823 0.020 0.000 0.990 367 V HN 1.033 nan 8.190 nan 0.000 0.430 368 M N 4.592 124.211 119.600 0.031 0.000 2.248 368 M HA 0.081 4.561 4.480 -0.000 0.000 0.343 368 M C 0.869 177.173 176.300 0.008 0.000 1.243 368 M CA 0.733 56.050 55.300 0.028 0.000 1.025 368 M CB 0.608 33.222 32.600 0.023 0.000 1.759 368 M HN 0.926 nan 8.290 nan 0.000 0.452 369 S N 2.421 118.123 115.700 0.003 0.000 2.568 369 S HA 0.075 4.545 4.470 -0.000 0.000 0.282 369 S C 1.035 175.634 174.600 -0.001 0.000 1.338 369 S CA -0.167 58.026 58.200 -0.011 0.000 1.045 369 S CB 0.552 63.741 63.200 -0.019 0.000 0.873 369 S HN 0.801 nan 8.310 nan 0.000 0.516 370 T N 2.137 116.687 114.554 -0.006 0.000 2.699 370 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 370 T C 1.634 176.339 174.700 0.008 0.000 1.036 370 T CA 1.953 64.054 62.100 0.001 0.000 1.147 370 T CB -0.501 68.365 68.868 -0.003 0.000 0.862 370 T HN 0.776 nan 8.240 nan 0.000 0.446 371 E N 0.619 120.821 120.200 0.002 0.000 2.058 371 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 371 E C 2.291 178.905 176.600 0.024 0.000 0.997 371 E CA 0.938 57.342 56.400 0.008 0.000 0.801 371 E CB -0.301 29.396 29.700 -0.004 0.000 0.746 371 E HN 0.432 nan 8.360 nan 0.000 0.450 372 L N 0.646 121.885 121.223 0.027 0.000 2.056 372 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 372 L C 2.419 179.325 176.870 0.061 0.000 1.078 372 L CA 0.468 55.337 54.840 0.049 0.000 0.749 372 L CB -0.226 41.861 42.059 0.046 0.000 0.901 372 L HN 0.191 nan 8.230 nan 0.000 0.433 373 I N -0.035 120.559 120.570 0.040 0.000 2.202 373 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 373 I C 2.170 178.317 176.117 0.051 0.000 1.091 373 I CA 1.429 62.750 61.300 0.036 0.000 1.368 373 I CB -1.180 36.830 38.000 0.018 0.000 1.058 373 I HN 0.248 nan 8.210 nan 0.000 0.410 374 D N 0.749 121.177 120.400 0.046 0.000 2.149 374 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 374 D C 2.375 178.722 176.300 0.079 0.000 0.990 374 D CA 1.736 55.768 54.000 0.053 0.000 0.839 374 D CB -0.227 40.595 40.800 0.036 0.000 0.948 374 D HN 0.377 nan 8.370 nan 0.000 0.460 375 S N 0.029 115.784 115.700 0.091 0.000 2.419 375 S HA -0.146 4.324 4.470 -0.000 0.000 0.235 375 S C 2.166 176.918 174.600 0.253 0.000 1.019 375 S CA 0.947 59.229 58.200 0.137 0.000 0.982 375 S CB -0.611 62.661 63.200 0.121 0.000 0.789 375 S HN 0.110 nan 8.310 nan 0.000 0.490 376 V N 3.153 123.197 119.914 0.217 0.000 2.392 376 V HA -0.165 3.955 4.120 -0.000 0.000 0.249 376 V C 2.270 178.528 176.094 0.273 0.000 1.059 376 V CA 2.168 64.633 62.300 0.275 0.000 1.051 376 V CB -0.801 31.093 31.823 0.119 0.000 0.658 376 V HN 0.832 nan 8.190 nan 0.000 0.455 377 K N 0.317 120.823 120.400 0.177 0.000 2.576 377 K HA 0.164 4.484 4.320 -0.000 0.000 0.209 377 K C 1.574 178.243 176.600 0.116 0.000 1.049 377 K CA 0.695 57.067 56.287 0.142 0.000 1.140 377 K CB 0.280 32.842 32.500 0.103 0.000 0.871 377 K HN 0.423 nan 8.250 nan 0.000 0.479 378 S N 0.811 116.591 115.700 0.134 0.000 2.419 378 S HA -0.165 4.305 4.470 -0.000 0.000 0.235 378 S C 0.892 175.497 174.600 0.010 0.000 1.019 378 S CA 1.359 59.590 58.200 0.052 0.000 0.982 378 S CB -0.223 62.979 63.200 0.002 0.000 0.789 378 S HN 0.355 nan 8.310 nan 0.000 0.490 379 D N 0.780 121.195 120.400 0.026 0.000 2.339 379 D HA 0.220 4.860 4.640 -0.000 0.000 0.217 379 D C 0.213 176.551 176.300 0.064 0.000 1.050 379 D CA 0.248 54.251 54.000 0.005 0.000 0.856 379 D CB -0.046 40.729 40.800 -0.043 0.000 0.922 379 D HN 0.380 nan 8.370 nan 0.000 0.518 380 M N 0.456 120.099 119.600 0.071 0.000 2.250 380 M HA 0.213 4.693 4.480 -0.000 0.000 0.344 380 M C 0.372 176.705 176.300 0.055 0.000 1.150 380 M CA 0.064 55.416 55.300 0.086 0.000 1.147 380 M CB 0.782 33.428 32.600 0.077 0.000 1.498 380 M HN -0.328 nan 8.290 nan 0.000 0.461 381 T N 3.518 118.098 114.554 0.043 0.000 2.771 381 T HA 0.638 4.988 4.350 -0.000 0.000 0.281 381 T C -0.253 174.435 174.700 -0.021 0.000 0.982 381 T CA -0.383 61.723 62.100 0.010 0.000 0.978 381 T CB 0.596 69.465 68.868 0.001 0.000 0.930 381 T HN 0.302 nan 8.240 nan 0.000 0.447 382 I N 3.375 123.934 120.570 -0.018 0.000 2.362 382 I HA 0.382 4.552 4.170 -0.000 0.000 0.289 382 I C 0.517 176.608 176.117 -0.043 0.000 0.994 382 I CA -0.440 60.825 61.300 -0.059 0.000 1.158 382 I CB 1.236 39.249 38.000 0.021 0.000 1.315 382 I HN 0.309 nan 8.210 nan 0.000 0.451 383 R N 4.105 124.540 120.500 -0.108 0.000 2.294 383 R HA 0.704 5.044 4.340 -0.000 0.000 0.319 383 R C 0.389 176.712 176.300 0.039 0.000 0.984 383 R CA -0.146 55.931 56.100 -0.039 0.000 0.861 383 R CB 1.513 31.779 30.300 -0.058 0.000 1.104 383 R HN 0.923 nan 8.270 nan 0.000 0.451 384 G N 1.722 110.582 108.800 0.100 0.000 2.632 384 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.224 384 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.224 384 G C -0.811 174.230 174.900 0.236 0.000 1.341 384 G CA -0.528 44.668 45.100 0.160 0.000 0.880 384 G HN 0.541 nan 8.290 nan 0.000 0.566 385 T N 1.627 116.289 114.554 0.181 0.000 2.863 385 T HA 0.675 5.025 4.350 -0.000 0.000 0.285 385 T C -2.727 171.873 174.700 -0.165 0.000 1.009 385 T CA -1.053 61.076 62.100 0.047 0.000 0.989 385 T CB 2.262 71.130 68.868 0.000 0.000 1.004 385 T HN 0.539 nan 8.240 nan 0.000 0.455 386 P HA 0.207 nan 4.420 nan 0.000 0.266 386 P C 1.275 178.353 177.300 -0.371 0.000 1.193 386 P CA 1.142 63.709 63.100 -0.888 0.000 0.770 386 P CB 0.172 31.480 31.700 -0.655 0.000 0.836 387 G N 0.777 109.410 108.800 -0.280 0.000 2.347 387 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.247 387 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.247 387 G C 0.298 175.167 174.900 -0.052 0.000 1.037 387 G CA 0.570 45.600 45.100 -0.117 0.000 0.622 387 G HN 0.764 nan 8.290 nan 0.000 0.521 388 E N 0.693 120.869 120.200 -0.041 0.000 2.314 388 E HA 0.576 4.926 4.350 -0.000 0.000 0.262 388 E C 1.436 178.072 176.600 0.060 0.000 1.093 388 E CA -0.469 55.939 56.400 0.013 0.000 0.908 388 E CB 1.086 30.797 29.700 0.019 0.000 1.091 388 E HN 0.338 nan 8.360 nan 0.000 0.425 389 L N 2.521 123.774 121.223 0.050 0.000 2.156 389 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 389 L C 1.960 178.868 176.870 0.065 0.000 1.095 389 L CA 2.380 57.250 54.840 0.049 0.000 0.770 389 L CB -0.369 41.708 42.059 0.030 0.000 0.914 389 L HN 0.871 nan 8.230 nan 0.000 0.439 390 T N -3.812 110.786 114.554 0.073 0.000 3.163 390 T HA 0.050 4.400 4.350 -0.000 0.000 0.252 390 T C 0.428 175.183 174.700 0.091 0.000 1.056 390 T CA -0.439 61.698 62.100 0.061 0.000 0.947 390 T CB -0.886 68.006 68.868 0.039 0.000 1.016 390 T HN 0.152 nan 8.240 nan 0.000 0.554 391 Y N 2.883 123.183 120.300 0.000 0.000 2.745 391 Y HA 0.360 4.910 4.550 -0.000 0.000 0.335 391 Y C 0.185 176.087 175.900 0.003 0.000 1.212 391 Y CA -0.370 57.731 58.100 0.002 0.000 1.535 391 Y CB -0.105 38.355 38.460 -0.000 0.000 1.220 391 Y HN 0.214 nan 8.280 nan 0.000 0.531 392 S N 5.346 120.775 115.700 -0.453 0.000 2.594 392 S HA 0.684 5.154 4.470 -0.000 0.000 0.296 392 S C -1.580 172.721 174.600 -0.498 0.000 1.124 392 S CA -0.751 57.223 58.200 -0.377 0.000 1.011 392 S CB 0.687 63.788 63.200 -0.166 0.000 1.016 392 S HN 0.428 nan 8.310 nan 0.000 0.485 393 V N 4.871 124.550 119.914 -0.390 0.000 2.370 393 V HA 0.728 4.848 4.120 -0.000 0.000 0.283 393 V C 0.325 176.384 176.094 -0.058 0.000 1.023 393 V CA -0.462 61.712 62.300 -0.209 0.000 0.857 393 V CB 1.144 32.881 31.823 -0.143 0.000 0.985 393 V HN 1.009 nan 8.190 nan 0.000 0.443 394 T N 1.816 116.367 114.554 -0.006 0.000 2.841 394 T HA 0.864 5.214 4.350 -0.000 0.000 0.296 394 T C -1.039 173.749 174.700 0.147 0.000 1.166 394 T CA -0.760 61.360 62.100 0.033 0.000 1.007 394 T CB 2.301 71.139 68.868 -0.050 0.000 1.253 394 T HN 0.841 nan 8.240 nan 0.000 0.511 395 Y N -1.950 118.341 120.300 -0.014 0.000 2.655 395 Y HA 0.764 5.314 4.550 -0.000 0.000 0.336 395 Y C -0.983 174.910 175.900 -0.013 0.000 1.154 395 Y CA -1.295 56.798 58.100 -0.011 0.000 1.055 395 Y CB 0.821 39.281 38.460 0.001 0.000 1.295 395 Y HN 0.654 nan 8.280 nan 0.000 0.465 396 T N 4.106 118.649 114.554 -0.019 0.000 2.753 396 T HA 0.408 4.757 4.350 -0.000 0.000 0.297 396 T C -2.803 171.901 174.700 0.007 0.000 0.981 396 T CA -1.321 60.719 62.100 -0.099 0.000 0.956 396 T CB 0.695 69.549 68.868 -0.023 0.000 0.936 396 T HN 0.342 nan 8.240 nan 0.000 0.463 397 P HA 0.212 nan 4.420 nan 0.000 0.267 397 P C 1.097 178.444 177.300 0.078 0.000 1.205 397 P CA 0.541 63.696 63.100 0.092 0.000 0.765 397 P CB 0.363 32.056 31.700 -0.011 0.000 0.828 398 G N 2.197 111.062 108.800 0.108 0.000 2.180 398 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.263 398 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.263 398 G C 0.518 175.433 174.900 0.025 0.000 0.989 398 G CA 0.106 45.237 45.100 0.053 0.000 0.692 398 G HN 0.865 nan 8.290 nan 0.000 0.526 399 A N 0.304 123.141 122.820 0.029 0.000 2.540 399 A HA 0.584 4.904 4.320 -0.000 0.000 0.239 399 A C 1.778 179.352 177.584 -0.016 0.000 1.061 399 A CA 1.253 53.293 52.037 0.004 0.000 0.758 399 A CB 0.239 19.244 19.000 0.008 0.000 0.991 399 A HN 1.728 nan 8.150 nan 0.000 0.502 400 S N 1.139 116.826 115.700 -0.023 0.000 2.453 400 S HA -0.132 4.338 4.470 -0.000 0.000 0.231 400 S C 1.376 175.943 174.600 -0.054 0.000 1.005 400 S CA 1.413 59.592 58.200 -0.035 0.000 0.949 400 S CB -0.744 62.439 63.200 -0.027 0.000 0.774 400 S HN 1.205 nan 8.310 nan 0.000 0.510 401 T N -0.743 113.779 114.554 -0.054 0.000 3.129 401 T HA 0.210 4.560 4.350 -0.000 0.000 0.251 401 T C 0.323 174.960 174.700 -0.106 0.000 1.117 401 T CA -0.496 61.561 62.100 -0.072 0.000 1.034 401 T CB -0.595 68.241 68.868 -0.054 0.000 0.968 401 T HN 0.167 nan 8.240 nan 0.000 0.526 402 N N 2.465 121.100 118.700 -0.109 0.000 2.483 402 N HA 0.163 4.903 4.740 -0.000 0.000 0.264 402 N C 1.010 176.351 175.510 -0.281 0.000 1.197 402 N CA -0.146 52.802 53.050 -0.170 0.000 0.927 402 N CB 1.050 39.464 38.487 -0.122 0.000 1.065 402 N HN 0.344 nan 8.380 nan 0.000 0.461 403 K N 1.257 121.381 120.400 -0.460 0.000 2.366 403 K HA 0.006 4.326 4.320 -0.000 0.000 0.198 403 K C -0.059 175.981 176.600 -0.933 0.000 1.044 403 K CA 0.807 56.675 56.287 -0.699 0.000 0.973 403 K CB 0.099 32.042 32.500 -0.929 0.000 0.767 403 K HN 0.563 nan 8.250 nan 0.000 0.475 404 H N 0.038 118.794 119.070 -0.524 0.000 2.797 404 H HA 0.333 4.889 4.556 -0.000 0.000 0.372 404 H C -2.466 172.539 175.328 -0.537 0.000 1.168 404 H CA -2.712 52.866 56.048 -0.782 0.000 1.163 404 H CB 1.379 30.273 29.762 -1.447 0.000 1.778 404 H HN -0.139 nan 8.280 nan 0.000 0.551 405 P HA 0.060 nan 4.420 nan 0.000 0.274 405 P C 0.321 177.396 177.300 -0.375 0.000 1.246 405 P CA -0.293 62.600 63.100 -0.345 0.000 0.795 405 P CB 1.277 32.748 31.700 -0.382 0.000 1.006 406 D N 0.169 120.485 120.400 -0.140 0.000 2.123 406 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 406 D C 1.886 178.187 176.300 0.001 0.000 0.992 406 D CA 1.291 55.286 54.000 -0.008 0.000 0.833 406 D CB -0.573 40.331 40.800 0.173 0.000 0.954 406 D HN 0.608 nan 8.370 nan 0.000 0.455 407 W N 0.312 121.680 121.300 0.113 0.000 2.342 407 W HA -0.172 4.488 4.660 -0.000 0.000 0.297 407 W C 1.934 178.523 176.519 0.116 0.000 1.213 407 W CA 0.283 57.691 57.345 0.104 0.000 1.251 407 W CB -1.327 28.187 29.460 0.091 0.000 1.136 407 W HN 0.085 nan 8.180 nan 0.000 0.526 408 W N 3.373 124.180 121.300 -0.821 0.000 2.379 408 W HA -0.158 4.502 4.660 -0.000 0.000 0.307 408 W C 1.863 178.129 176.519 -0.422 0.000 1.200 408 W CA 1.715 58.595 57.345 -0.775 0.000 1.297 408 W CB -0.952 27.835 29.460 -1.121 0.000 1.140 408 W HN -0.106 nan 8.180 nan 0.000 0.507 409 N N 0.977 119.591 118.700 -0.143 0.000 2.244 409 N HA -0.180 4.560 4.740 -0.000 0.000 0.183 409 N C 1.469 176.765 175.510 -0.357 0.000 1.016 409 N CA 1.681 54.477 53.050 -0.422 0.000 0.866 409 N CB -0.602 37.154 38.487 -1.217 0.000 0.980 409 N HN 0.195 nan 8.380 nan 0.000 0.430 410 E N 1.514 121.627 120.200 -0.145 0.000 2.077 410 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 410 E C 1.593 178.257 176.600 0.106 0.000 0.989 410 E CA 1.340 57.824 56.400 0.140 0.000 0.800 410 E CB 0.060 29.889 29.700 0.214 0.000 0.746 410 E HN 0.264 nan 8.360 nan 0.000 0.452 411 K N -0.710 119.732 120.400 0.070 0.000 2.103 411 K HA -0.043 4.277 4.320 -0.000 0.000 0.204 411 K C 2.060 178.675 176.600 0.026 0.000 1.052 411 K CA 1.153 57.474 56.287 0.056 0.000 0.945 411 K CB 0.050 32.573 32.500 0.038 0.000 0.722 411 K HN 0.024 nan 8.250 nan 0.000 0.443 412 V N 1.784 121.688 119.914 -0.017 0.000 2.323 412 V HA -0.222 3.898 4.120 -0.000 0.000 0.244 412 V C 2.333 178.480 176.094 0.089 0.000 1.041 412 V CA 1.525 63.831 62.300 0.009 0.000 1.025 412 V CB -0.369 31.453 31.823 -0.001 0.000 0.656 412 V HN 0.322 nan 8.190 nan 0.000 0.451 413 K N 0.507 120.959 120.400 0.087 0.000 2.034 413 K HA -0.295 4.025 4.320 -0.000 0.000 0.214 413 K C 2.034 178.701 176.600 0.112 0.000 1.051 413 K CA 2.349 58.711 56.287 0.124 0.000 0.931 413 K CB -0.303 32.325 32.500 0.214 0.000 0.715 413 K HN 0.421 nan 8.250 nan 0.000 0.446 414 N N 0.283 119.056 118.700 0.121 0.000 2.069 414 N HA -0.204 4.536 4.740 -0.000 0.000 0.191 414 N C 1.798 177.384 175.510 0.128 0.000 1.031 414 N CA 1.691 54.809 53.050 0.112 0.000 0.852 414 N CB -0.840 37.718 38.487 0.118 0.000 1.018 414 N HN 0.437 nan 8.380 nan 0.000 0.423 415 H N 0.628 119.737 119.070 0.065 0.000 2.289 415 H HA 0.024 4.580 4.556 -0.000 0.000 0.296 415 H C 2.067 177.454 175.328 0.097 0.000 1.091 415 H CA 1.992 58.083 56.048 0.070 0.000 1.274 415 H CB -0.158 29.549 29.762 -0.092 0.000 1.364 415 H HN 0.145 nan 8.280 nan 0.000 0.490 416 M N -1.175 118.434 119.600 0.015 0.000 2.229 416 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 416 M C 2.284 178.644 176.300 0.098 0.000 1.063 416 M CA 1.510 56.828 55.300 0.029 0.000 1.114 416 M CB -0.057 32.624 32.600 0.134 0.000 1.387 416 M HN 0.369 nan 8.290 nan 0.000 0.420 417 M N 0.204 119.848 119.600 0.073 0.000 2.236 417 M HA -0.129 4.351 4.480 -0.000 0.000 0.266 417 M C 1.821 178.139 176.300 0.030 0.000 1.070 417 M CA 1.876 57.229 55.300 0.088 0.000 1.137 417 M CB 0.005 32.626 32.600 0.035 0.000 1.378 417 M HN 0.139 nan 8.290 nan 0.000 0.426 418 Q N -1.478 118.283 119.800 -0.064 0.000 2.339 418 Q HA 0.052 4.392 4.340 -0.000 0.000 0.205 418 Q C -0.077 175.650 176.000 -0.455 0.000 0.925 418 Q CA 0.572 56.236 55.803 -0.232 0.000 0.898 418 Q CB 0.435 29.028 28.738 -0.242 0.000 1.013 418 Q HN 0.504 nan 8.270 nan 0.000 0.504 419 H N 0.578 119.562 119.070 -0.143 0.000 2.340 419 H HA 0.204 4.760 4.556 -0.000 0.000 0.233 419 H C 0.068 175.306 175.328 -0.149 0.000 1.435 419 H CA -0.073 55.892 56.048 -0.139 0.000 1.389 419 H CB 0.642 30.261 29.762 -0.238 0.000 1.491 419 H HN 0.264 nan 8.280 nan 0.000 0.518 420 Q N 0.693 120.480 119.800 -0.021 0.000 2.436 420 Q HA -0.102 4.238 4.340 -0.000 0.000 0.209 420 Q C 1.786 177.732 176.000 -0.089 0.000 0.965 420 Q CA 0.730 56.482 55.803 -0.085 0.000 0.910 420 Q CB 0.461 29.108 28.738 -0.151 0.000 0.980 420 Q HN 0.510 nan 8.270 nan 0.000 0.491 421 E N 1.335 121.528 120.200 -0.011 0.000 2.442 421 E HA -0.088 4.262 4.350 -0.000 0.000 0.195 421 E C -0.403 176.228 176.600 0.051 0.000 1.030 421 E CA 0.391 56.798 56.400 0.011 0.000 0.869 421 E CB 0.028 29.752 29.700 0.039 0.000 0.857 421 E HN 0.149 nan 8.360 nan 0.000 0.505 422 D N 2.255 122.699 120.400 0.074 0.000 2.277 422 D HA 0.107 4.747 4.640 -0.000 0.000 0.249 422 D C -1.454 174.897 176.300 0.085 0.000 1.134 422 D CA -1.967 52.106 54.000 0.121 0.000 0.863 422 D CB 1.475 42.369 40.800 0.156 0.000 1.143 422 D HN -0.125 nan 8.370 nan 0.000 0.458 423 P HA 0.081 nan 4.420 nan 0.000 0.249 423 P C -0.269 177.069 177.300 0.064 0.000 1.229 423 P CA 0.196 63.332 63.100 0.060 0.000 0.788 423 P CB 0.368 32.096 31.700 0.047 0.000 1.072 424 L N 1.683 122.953 121.223 0.079 0.000 2.334 424 L HA 0.380 4.720 4.340 -0.000 0.000 0.273 424 L C -1.518 175.374 176.870 0.036 0.000 1.013 424 L CA -2.339 52.519 54.840 0.030 0.000 0.816 424 L CB 2.730 44.776 42.059 -0.022 0.000 1.278 424 L HN -0.316 nan 8.230 nan 0.000 0.431 425 P HA 0.101 nan 4.420 nan 0.000 0.249 425 P C 0.083 177.251 177.300 -0.219 0.000 1.229 425 P CA 0.478 63.577 63.100 -0.003 0.000 0.788 425 P CB 0.256 31.970 31.700 0.023 0.000 1.072 426 I N 2.064 122.407 120.570 -0.379 0.000 2.365 426 I HA 0.263 4.433 4.170 -0.000 0.000 0.291 426 I C -2.197 173.411 176.117 -0.848 0.000 1.004 426 I CA -2.963 58.057 61.300 -0.466 0.000 1.311 426 I CB 0.992 38.811 38.000 -0.302 0.000 1.401 426 I HN -0.268 nan 8.210 nan 0.000 0.491 427 P HA 0.018 nan 4.420 nan 0.000 0.266 427 P C 0.309 177.360 177.300 -0.414 0.000 1.195 427 P CA -0.007 62.707 63.100 -0.644 0.000 0.768 427 P CB 0.306 31.877 31.700 -0.215 0.000 0.838 428 F N 0.958 120.774 119.950 -0.222 0.000 2.202 428 F HA -0.144 4.383 4.527 -0.000 0.000 0.301 428 F C 1.692 177.447 175.800 -0.076 0.000 1.082 428 F CA 1.576 59.498 58.000 -0.131 0.000 1.313 428 F CB -0.832 38.109 39.000 -0.099 0.000 1.024 428 F HN 0.409 nan 8.300 nan 0.000 0.495 429 E N -0.388 119.891 120.200 0.132 0.000 2.451 429 E HA 0.013 4.363 4.350 -0.000 0.000 0.194 429 E C -0.267 176.354 176.600 0.034 0.000 1.027 429 E CA -0.233 56.216 56.400 0.083 0.000 0.914 429 E CB -0.154 29.597 29.700 0.086 0.000 1.054 429 E HN 0.188 nan 8.360 nan 0.000 0.461 430 D N 2.679 123.076 120.400 -0.006 0.000 2.450 430 D HA 0.028 4.668 4.640 -0.000 0.000 0.247 430 D C -2.276 174.037 176.300 0.022 0.000 1.162 430 D CA -1.511 52.474 54.000 -0.026 0.000 0.879 430 D CB 0.817 41.560 40.800 -0.094 0.000 1.163 430 D HN -0.119 nan 8.370 nan 0.000 0.472 431 P HA 0.071 nan 4.420 nan 0.000 0.271 431 P C -0.363 177.038 177.300 0.168 0.000 1.233 431 P CA -0.375 62.819 63.100 0.156 0.000 0.789 431 P CB 0.347 32.180 31.700 0.222 0.000 0.951 432 E N 1.720 122.024 120.200 0.172 0.000 2.392 432 E HA 0.173 4.523 4.350 -0.000 0.000 0.259 432 E C -2.476 174.146 176.600 0.037 0.000 1.108 432 E CA -1.875 54.561 56.400 0.060 0.000 0.916 432 E CB -1.047 28.656 29.700 0.004 0.000 0.989 432 E HN 0.221 nan 8.360 nan 0.000 0.432 433 P HA 0.059 nan 4.420 nan 0.000 0.269 433 P C -0.514 176.785 177.300 -0.003 0.000 1.215 433 P CA 0.095 63.251 63.100 0.094 0.000 0.780 433 P CB 0.361 32.059 31.700 -0.003 0.000 0.898 434 Q N 0.886 120.783 119.800 0.161 0.000 3.484 434 Q HA 0.299 4.639 4.340 -0.000 0.000 0.255 434 Q C -1.140 174.952 176.000 0.153 0.000 0.909 434 Q CA -0.289 55.493 55.803 -0.034 0.000 0.774 434 Q CB 1.154 29.628 28.738 -0.440 0.000 1.431 434 Q HN 0.174 nan 8.270 nan 0.000 0.423 435 V N 0.562 120.520 119.914 0.074 0.000 2.547 435 V HA 0.713 4.833 4.120 -0.000 0.000 0.299 435 V C 0.217 176.315 176.094 0.008 0.000 1.040 435 V CA -0.425 61.915 62.300 0.067 0.000 0.913 435 V CB 2.025 33.826 31.823 -0.037 0.000 0.992 435 V HN 0.437 nan 8.190 nan 0.000 0.449 436 T N 1.708 116.292 114.554 0.051 0.000 2.909 436 T HA 0.493 4.843 4.350 -0.000 0.000 0.299 436 T C -0.877 173.758 174.700 -0.110 0.000 1.073 436 T CA -0.310 61.758 62.100 -0.052 0.000 0.999 436 T CB 1.830 70.650 68.868 -0.080 0.000 1.098 436 T HN 0.818 nan 8.240 nan 0.000 0.477 437 T N 4.607 118.956 114.554 -0.342 0.000 2.791 437 T HA 0.601 4.951 4.350 -0.000 0.000 0.288 437 T C -0.177 174.367 174.700 -0.262 0.000 0.999 437 T CA -0.587 61.169 62.100 -0.573 0.000 0.952 437 T CB -0.110 67.997 68.868 -1.269 0.000 0.938 437 T HN 0.500 nan 8.240 nan 0.000 0.444 438 L N 4.538 125.686 121.223 -0.124 0.000 2.439 438 L HA 0.399 4.739 4.340 -0.000 0.000 0.269 438 L C 0.704 177.571 176.870 -0.005 0.000 1.179 438 L CA -0.914 53.935 54.840 0.015 0.000 0.828 438 L CB 0.219 42.292 42.059 0.024 0.000 1.106 438 L HN 0.620 nan 8.230 nan 0.000 0.467 439 F N 3.180 123.051 119.950 -0.131 0.000 2.579 439 F HA -0.096 4.430 4.527 -0.000 0.000 0.397 439 F C 0.271 175.821 175.800 -0.417 0.000 1.027 439 F CA 0.640 58.471 58.000 -0.282 0.000 1.217 439 F CB 0.093 38.983 39.000 -0.183 0.000 0.986 439 F HN 0.406 nan 8.300 nan 0.000 0.551 440 Q N 6.787 126.087 119.800 -0.835 0.000 2.456 440 Q HA 0.264 4.604 4.340 -0.000 0.000 0.284 440 Q C -2.002 173.540 176.000 -0.763 0.000 1.061 440 Q CA -1.784 53.630 55.803 -0.648 0.000 0.799 440 Q CB 1.474 29.743 28.738 -0.782 0.000 1.445 440 Q HN 0.242 nan 8.270 nan 0.000 0.411 441 P HA -0.172 nan 4.420 nan 0.000 0.217 441 P C 1.114 178.192 177.300 -0.370 0.000 1.148 441 P CA 1.722 64.642 63.100 -0.300 0.000 0.828 441 P CB 0.237 31.861 31.700 -0.125 0.000 0.783 442 S N -1.411 114.073 115.700 -0.361 0.000 2.603 442 S HA -0.063 4.407 4.470 -0.000 0.000 0.220 442 S C 0.410 174.817 174.600 -0.323 0.000 0.967 442 S CA -0.097 57.959 58.200 -0.240 0.000 0.920 442 S CB -1.277 61.877 63.200 -0.077 0.000 0.773 442 S HN 0.428 nan 8.310 nan 0.000 0.529 443 H N -1.576 117.035 119.070 -0.765 0.000 2.661 443 H HA 0.458 5.014 4.556 -0.000 0.000 0.243 443 H C -3.327 170.852 175.328 -1.914 0.000 1.410 443 H CA -1.623 53.560 56.048 -1.442 0.000 1.509 443 H CB 0.284 29.459 29.762 -0.978 0.000 1.761 443 H HN 0.047 nan 8.280 nan 0.000 0.576 444 P HA 0.111 nan 4.420 nan 0.000 0.220 444 P C -1.243 175.544 177.300 -0.855 0.000 1.806 444 P CA 0.196 62.209 63.100 -1.811 0.000 0.976 444 P CB -1.099 30.027 31.700 -0.956 0.000 1.952 445 W N -0.169 120.877 121.300 -0.424 0.000 3.217 445 W HA 0.522 5.182 4.660 -0.000 0.000 0.323 445 W C -0.846 175.757 176.519 0.139 0.000 1.216 445 W CA -1.284 56.098 57.345 0.062 0.000 1.194 445 W CB 0.169 29.676 29.460 0.077 0.000 1.397 445 W HN 0.020 nan 8.180 nan 0.000 0.537 446 H N 1.272 120.587 119.070 0.409 0.000 2.511 446 H HA 0.668 5.224 4.556 -0.000 0.000 0.346 446 H C -0.137 175.332 175.328 0.235 0.000 1.128 446 H CA 0.482 56.682 56.048 0.252 0.000 1.342 446 H CB 1.458 31.338 29.762 0.196 0.000 1.470 446 H HN 0.569 nan 8.280 nan 0.000 0.546 447 T N 2.238 116.447 114.554 -0.575 0.000 2.876 447 T HA 0.482 4.832 4.350 -0.000 0.000 0.289 447 T C -0.730 173.662 174.700 -0.512 0.000 1.014 447 T CA -1.102 60.674 62.100 -0.540 0.000 0.986 447 T CB 1.567 70.008 68.868 -0.711 0.000 1.021 447 T HN 0.680 nan 8.240 nan 0.000 0.458 448 Q N 2.041 121.737 119.800 -0.173 0.000 2.292 448 Q HA 0.551 4.891 4.340 -0.000 0.000 0.270 448 Q C -1.155 174.734 176.000 -0.185 0.000 1.024 448 Q CA -0.591 55.041 55.803 -0.285 0.000 0.768 448 Q CB 2.447 30.942 28.738 -0.406 0.000 1.250 448 Q HN 0.719 nan 8.270 nan 0.000 0.447 449 I N 3.948 124.372 120.570 -0.243 0.000 2.464 449 I HA 0.381 4.551 4.170 -0.000 0.000 0.277 449 I C -0.303 175.706 176.117 -0.180 0.000 1.040 449 I CA -0.262 60.789 61.300 -0.414 0.000 1.153 449 I CB 0.345 37.961 38.000 -0.640 0.000 1.274 449 I HN 0.765 nan 8.210 nan 0.000 0.469 450 H N 4.066 122.956 119.070 -0.300 0.000 3.150 450 H HA 0.660 5.216 4.556 -0.000 0.000 0.270 450 H C -1.221 174.036 175.328 -0.118 0.000 1.573 450 H CA -1.325 54.615 56.048 -0.179 0.000 1.195 450 H CB 1.348 31.029 29.762 -0.134 0.000 1.874 450 H HN 0.132 nan 8.280 nan 0.000 0.691 451 R N 0.692 120.980 120.500 -0.354 0.000 2.725 451 R HA 0.352 4.691 4.340 -0.000 0.000 0.277 451 R C -1.539 174.484 176.300 -0.461 0.000 0.987 451 R CA -0.520 55.367 56.100 -0.356 0.000 0.901 451 R CB 1.932 32.165 30.300 -0.112 0.000 1.207 451 R HN 0.952 nan 8.270 nan 0.000 0.463 452 D N -0.433 119.772 120.400 -0.325 0.000 2.812 452 D HA 0.394 5.034 4.640 -0.000 0.000 0.318 452 D C -0.816 175.488 176.300 0.006 0.000 1.234 452 D CA -0.844 53.053 54.000 -0.171 0.000 0.989 452 D CB 0.015 40.708 40.800 -0.178 0.000 1.442 452 D HN 0.437 nan 8.370 nan 0.000 0.537 453 A N -0.260 122.585 122.820 0.043 0.000 2.563 453 A HA 0.364 4.684 4.320 -0.000 0.000 0.256 453 A C -0.799 176.865 177.584 0.133 0.000 1.056 453 A CA 0.429 52.536 52.037 0.116 0.000 0.775 453 A CB -1.145 17.949 19.000 0.156 0.000 0.973 453 A HN 0.486 nan 8.150 nan 0.000 0.516 454 F N 2.408 122.329 119.950 -0.049 0.000 2.596 454 F HA 0.488 5.015 4.527 -0.000 0.000 0.311 454 F C 0.179 175.820 175.800 -0.265 0.000 1.116 454 F CA -0.321 57.551 58.000 -0.214 0.000 0.957 454 F CB 1.960 40.764 39.000 -0.326 0.000 1.250 454 F HN 0.524 nan 8.300 nan 0.000 0.444 455 S N 4.212 119.369 115.700 -0.905 0.000 2.416 455 S HA 0.424 4.894 4.470 -0.000 0.000 0.287 455 S C -1.189 173.084 174.600 -0.545 0.000 1.139 455 S CA -0.425 57.449 58.200 -0.543 0.000 1.058 455 S CB -0.112 62.834 63.200 -0.422 0.000 0.967 455 S HN 0.493 nan 8.310 nan 0.000 0.495 456 Y N 2.234 122.555 120.300 0.036 0.000 2.327 456 Y HA 0.505 5.055 4.550 -0.000 0.000 0.336 456 Y C 1.425 177.369 175.900 0.073 0.000 1.035 456 Y CA -0.124 58.075 58.100 0.165 0.000 1.165 456 Y CB 0.630 39.207 38.460 0.195 0.000 1.181 456 Y HN 0.914 nan 8.280 nan 0.000 0.494 457 G N 1.126 110.044 108.800 0.197 0.000 2.699 457 G HA2 0.260 4.220 3.960 -0.000 0.000 0.246 457 G HA3 0.260 4.220 3.960 -0.000 0.000 0.246 457 G C 0.764 175.753 174.900 0.148 0.000 1.219 457 G CA -0.098 45.078 45.100 0.127 0.000 0.866 457 G HN 0.889 nan 8.290 nan 0.000 0.572 458 A N -0.382 122.495 122.820 0.095 0.000 2.248 458 A HA 0.231 4.551 4.320 -0.000 0.000 0.210 458 A C 1.696 179.325 177.584 0.075 0.000 1.174 458 A CA 1.546 53.630 52.037 0.078 0.000 0.750 458 A CB -0.266 18.764 19.000 0.051 0.000 0.780 458 A HN 1.158 nan 8.150 nan 0.000 0.478 459 V N -4.613 115.358 119.914 0.095 0.000 3.497 459 V HA 0.043 4.163 4.120 -0.000 0.000 0.272 459 V C 1.533 177.691 176.094 0.106 0.000 1.474 459 V CA 0.428 62.777 62.300 0.082 0.000 1.025 459 V CB -0.655 31.208 31.823 0.065 0.000 0.820 459 V HN 0.410 nan 8.190 nan 0.000 0.437 460 Q N 0.784 120.689 119.800 0.174 0.000 2.378 460 Q HA -0.008 4.332 4.340 -0.000 0.000 0.205 460 Q C 1.993 178.046 176.000 0.089 0.000 0.954 460 Q CA 1.122 57.061 55.803 0.227 0.000 0.901 460 Q CB -0.164 28.872 28.738 0.497 0.000 0.981 460 Q HN 0.690 nan 8.270 nan 0.000 0.483 461 Q N -0.331 119.531 119.800 0.102 0.000 2.369 461 Q HA -0.045 4.295 4.340 -0.000 0.000 0.206 461 Q C 1.912 177.913 176.000 0.002 0.000 0.963 461 Q CA 0.770 56.586 55.803 0.020 0.000 0.894 461 Q CB 0.097 28.870 28.738 0.058 0.000 0.965 461 Q HN 0.156 nan 8.270 nan 0.000 0.475 462 S N -0.219 115.495 115.700 0.023 0.000 2.428 462 S HA -0.001 4.469 4.470 -0.000 0.000 0.230 462 S C 0.720 175.322 174.600 0.003 0.000 1.014 462 S CA 0.241 58.451 58.200 0.016 0.000 0.957 462 S CB 0.270 63.487 63.200 0.029 0.000 0.784 462 S HN 0.133 nan 8.310 nan 0.000 0.499 463 I N 2.701 123.265 120.570 -0.009 0.000 2.396 463 I HA 0.253 4.423 4.170 -0.000 0.000 0.292 463 I C 0.360 176.449 176.117 -0.046 0.000 0.999 463 I CA -1.024 60.267 61.300 -0.015 0.000 1.310 463 I CB 0.828 38.828 38.000 -0.001 0.000 1.404 463 I HN 0.160 nan 8.210 nan 0.000 0.496 464 D N 4.003 124.389 120.400 -0.024 0.000 2.450 464 D HA -0.053 4.587 4.640 -0.000 0.000 0.247 464 D C 1.139 177.408 176.300 -0.051 0.000 1.162 464 D CA 0.170 54.157 54.000 -0.022 0.000 0.879 464 D CB 1.167 41.976 40.800 0.015 0.000 1.163 464 D HN 0.644 nan 8.370 nan 0.000 0.472 465 S N 4.170 119.824 115.700 -0.076 0.000 2.447 465 S HA -0.143 4.326 4.470 -0.000 0.000 0.233 465 S C 1.663 176.236 174.600 -0.045 0.000 1.006 465 S CA 0.402 58.539 58.200 -0.104 0.000 0.957 465 S CB -0.029 63.095 63.200 -0.127 0.000 0.773 465 S HN 0.547 nan 8.310 nan 0.000 0.507 466 R N 0.854 121.342 120.500 -0.019 0.000 2.200 466 R HA 0.136 4.476 4.340 -0.000 0.000 0.234 466 R C 1.802 178.087 176.300 -0.025 0.000 1.127 466 R CA 1.208 57.293 56.100 -0.024 0.000 0.989 466 R CB -0.593 29.683 30.300 -0.040 0.000 0.869 466 R HN 0.450 nan 8.270 nan 0.000 0.459 467 L N 0.338 121.550 121.223 -0.017 0.000 2.418 467 L HA 0.103 4.442 4.340 -0.000 0.000 0.218 467 L C 0.717 177.595 176.870 0.013 0.000 1.125 467 L CA 0.270 55.108 54.840 -0.004 0.000 0.835 467 L CB 0.051 42.109 42.059 -0.000 0.000 0.953 467 L HN 0.076 nan 8.230 nan 0.000 0.454 468 I N 0.268 120.842 120.570 0.006 0.000 2.353 468 I HA 0.254 4.424 4.170 -0.000 0.000 0.293 468 I C -0.633 175.505 176.117 0.035 0.000 0.992 468 I CA -0.415 60.905 61.300 0.033 0.000 1.268 468 I CB 1.843 39.859 38.000 0.026 0.000 1.387 468 I HN -0.293 nan 8.210 nan 0.000 0.478 469 V N 4.961 124.913 119.914 0.064 0.000 2.656 469 V HA 0.349 4.469 4.120 -0.000 0.000 0.307 469 V C -0.770 175.327 176.094 0.006 0.000 1.051 469 V CA -0.860 61.439 62.300 -0.003 0.000 0.893 469 V CB 2.122 33.933 31.823 -0.020 0.000 0.999 469 V HN 0.579 nan 8.190 nan 0.000 0.426 470 D N 2.528 122.871 120.400 -0.095 0.000 2.175 470 D HA 0.488 5.128 4.640 -0.000 0.000 0.248 470 D C -1.009 175.247 176.300 -0.074 0.000 1.047 470 D CA 0.025 54.003 54.000 -0.037 0.000 0.883 470 D CB 1.556 42.379 40.800 0.039 0.000 1.180 470 D HN 0.443 nan 8.370 nan 0.000 0.438 471 W N 1.057 122.293 121.300 -0.106 0.000 2.683 471 W HA 0.465 5.125 4.660 -0.000 0.000 0.329 471 W C 0.203 176.753 176.519 0.052 0.000 1.037 471 W CA -0.854 56.502 57.345 0.017 0.000 1.232 471 W CB 1.414 30.801 29.460 -0.123 0.000 1.390 471 W HN -0.077 nan 8.180 nan 0.000 0.465 472 R N 3.010 123.746 120.500 0.394 0.000 2.500 472 R HA 0.419 4.759 4.340 -0.000 0.000 0.299 472 R C -1.631 174.798 176.300 0.214 0.000 1.038 472 R CA -0.808 55.400 56.100 0.180 0.000 0.903 472 R CB 1.398 31.773 30.300 0.126 0.000 1.177 472 R HN 0.205 nan 8.270 nan 0.000 0.455 473 F N 3.001 122.809 119.950 -0.238 0.000 2.436 473 F HA 0.489 5.016 4.527 -0.000 0.000 0.340 473 F C -0.230 175.460 175.800 -0.183 0.000 1.113 473 F CA -1.233 56.712 58.000 -0.092 0.000 1.022 473 F CB 0.994 39.902 39.000 -0.154 0.000 1.128 473 F HN 0.290 nan 8.300 nan 0.000 0.466 474 F N 1.546 121.692 119.950 0.327 0.000 2.449 474 F HA 0.644 5.171 4.527 -0.000 0.000 0.342 474 F C 0.610 176.622 175.800 0.353 0.000 1.127 474 F CA -1.002 57.192 58.000 0.323 0.000 0.975 474 F CB 1.527 40.758 39.000 0.384 0.000 1.146 474 F HN 0.513 nan 8.300 nan 0.000 0.444 475 G N 2.245 111.300 108.800 0.425 0.000 2.461 475 G HA2 0.655 4.615 3.960 -0.000 0.000 0.329 475 G HA3 0.655 4.615 3.960 -0.000 0.000 0.329 475 G C -0.919 174.172 174.900 0.319 0.000 1.170 475 G CA -1.090 44.247 45.100 0.395 0.000 0.935 475 G HN 0.692 nan 8.290 nan 0.000 0.492 476 R N -0.785 119.896 120.500 0.301 0.000 2.457 476 R HA 0.669 5.009 4.340 -0.000 0.000 0.284 476 R C -0.959 175.442 176.300 0.169 0.000 1.024 476 R CA -0.529 55.672 56.100 0.167 0.000 1.025 476 R CB 1.145 31.547 30.300 0.170 0.000 1.063 476 R HN 0.269 nan 8.270 nan 0.000 0.493 477 T N 1.603 116.224 114.554 0.111 0.000 2.812 477 T HA 0.119 4.469 4.350 -0.000 0.000 0.282 477 T C -0.810 173.969 174.700 0.132 0.000 0.990 477 T CA -0.653 61.563 62.100 0.193 0.000 0.960 477 T CB 1.384 70.434 68.868 0.304 0.000 0.948 477 T HN 0.662 nan 8.240 nan 0.000 0.438 478 E N 4.301 124.584 120.200 0.139 0.000 2.366 478 E HA 0.124 4.474 4.350 -0.000 0.000 0.266 478 E C -2.237 174.439 176.600 0.127 0.000 1.015 478 E CA -1.686 54.783 56.400 0.116 0.000 0.906 478 E CB 0.471 30.232 29.700 0.101 0.000 0.979 478 E HN 0.172 nan 8.360 nan 0.000 0.443 479 P HA 0.061 nan 4.420 nan 0.000 0.266 479 P C -1.250 176.211 177.300 0.267 0.000 1.215 479 P CA 0.219 63.459 63.100 0.233 0.000 0.763 479 P CB 0.520 32.369 31.700 0.249 0.000 0.806 480 K N 2.779 123.283 120.400 0.173 0.000 2.443 480 K HA 0.151 4.471 4.320 -0.000 0.000 0.252 480 K C 0.983 177.431 176.600 -0.252 0.000 0.933 480 K CA -0.678 55.632 56.287 0.037 0.000 0.792 480 K CB 2.135 34.606 32.500 -0.049 0.000 1.185 480 K HN 0.441 nan 8.250 nan 0.000 0.425 481 E N 2.492 122.394 120.200 -0.498 0.000 2.097 481 E HA -0.253 4.097 4.350 -0.000 0.000 0.196 481 E C 1.035 177.374 176.600 -0.435 0.000 1.000 481 E CA 1.828 57.688 56.400 -0.900 0.000 0.804 481 E CB 0.406 29.823 29.700 -0.472 0.000 0.740 481 E HN 0.579 nan 8.360 nan 0.000 0.454 482 E N 0.454 120.511 120.200 -0.238 0.000 2.338 482 E HA -0.134 4.216 4.350 -0.000 0.000 0.197 482 E C 0.003 176.535 176.600 -0.114 0.000 1.007 482 E CA 0.344 56.657 56.400 -0.146 0.000 0.849 482 E CB -0.363 29.270 29.700 -0.112 0.000 0.774 482 E HN 0.100 nan 8.360 nan 0.000 0.506 483 N N 2.241 120.859 118.700 -0.137 0.000 2.399 483 N HA 0.123 4.863 4.740 -0.000 0.000 0.259 483 N C -0.731 174.829 175.510 0.083 0.000 1.160 483 N CA 0.280 53.298 53.050 -0.054 0.000 0.946 483 N CB 0.772 39.184 38.487 -0.126 0.000 1.156 483 N HN 0.157 nan 8.380 nan 0.000 0.489 484 K N 1.211 121.717 120.400 0.178 0.000 2.435 484 K HA 0.483 4.803 4.320 -0.000 0.000 0.251 484 K C -1.082 175.683 176.600 0.275 0.000 0.954 484 K CA -0.995 55.420 56.287 0.214 0.000 0.820 484 K CB 2.392 35.015 32.500 0.205 0.000 1.292 484 K HN 0.142 nan 8.250 nan 0.000 0.436 485 L N 3.606 124.939 121.223 0.182 0.000 2.319 485 L HA 0.551 4.891 4.340 -0.000 0.000 0.281 485 L C -1.323 175.490 176.870 -0.094 0.000 1.005 485 L CA -0.129 54.664 54.840 -0.078 0.000 0.828 485 L CB 0.597 42.620 42.059 -0.062 0.000 1.227 485 L HN 0.716 nan 8.230 nan 0.000 0.415 486 W N 3.618 124.631 121.300 -0.478 0.000 2.967 486 W HA 0.661 5.321 4.660 -0.000 0.000 0.342 486 W C -2.121 173.911 176.519 -0.811 0.000 1.162 486 W CA -1.258 55.842 57.345 -0.409 0.000 1.085 486 W CB 0.884 30.266 29.460 -0.130 0.000 1.460 486 W HN 0.331 nan 8.180 nan 0.000 0.584 487 F N 1.483 121.603 119.950 0.283 0.000 2.529 487 F HA 0.329 4.856 4.527 -0.000 0.000 0.320 487 F C 0.806 176.746 175.800 0.234 0.000 1.118 487 F CA -0.957 57.102 58.000 0.099 0.000 0.915 487 F CB 2.029 41.075 39.000 0.077 0.000 1.161 487 F HN 0.260 nan 8.300 nan 0.000 0.445 488 S N 1.109 116.939 115.700 0.216 0.000 2.549 488 S HA 0.027 4.497 4.470 -0.000 0.000 0.286 488 S C 0.760 175.494 174.600 0.224 0.000 1.314 488 S CA -0.478 57.872 58.200 0.250 0.000 1.062 488 S CB 0.291 63.549 63.200 0.097 0.000 0.865 488 S HN 0.684 nan 8.310 nan 0.000 0.498 489 D N 3.078 123.601 120.400 0.204 0.000 2.340 489 D HA 0.145 4.785 4.640 -0.000 0.000 0.220 489 D C 0.998 177.355 176.300 0.094 0.000 1.039 489 D CA 0.382 54.461 54.000 0.131 0.000 0.866 489 D CB 0.260 41.123 40.800 0.105 0.000 0.913 489 D HN 0.331 nan 8.370 nan 0.000 0.523 490 K N -0.325 120.135 120.400 0.099 0.000 2.494 490 K HA 0.173 4.493 4.320 -0.000 0.000 0.201 490 K C 0.164 176.801 176.600 0.062 0.000 1.338 490 K CA -0.068 56.262 56.287 0.073 0.000 0.935 490 K CB 0.939 33.485 32.500 0.077 0.000 1.514 490 K HN 0.024 nan 8.250 nan 0.000 0.490 491 I N 3.330 123.938 120.570 0.065 0.000 2.519 491 I HA 0.093 4.263 4.170 -0.000 0.000 0.287 491 I C 0.751 176.898 176.117 0.049 0.000 1.047 491 I CA 0.178 61.505 61.300 0.045 0.000 1.381 491 I CB 0.937 38.952 38.000 0.024 0.000 1.417 491 I HN 0.232 nan 8.210 nan 0.000 0.540 492 T N 1.434 116.014 114.554 0.043 0.000 2.930 492 T HA 0.631 4.981 4.350 -0.000 0.000 0.290 492 T C -0.456 174.274 174.700 0.050 0.000 1.052 492 T CA -0.870 61.262 62.100 0.053 0.000 1.017 492 T CB 2.502 71.397 68.868 0.046 0.000 1.137 492 T HN 0.550 nan 8.240 nan 0.000 0.511 493 D N 0.412 120.857 120.400 0.075 0.000 2.539 493 D HA 0.530 5.170 4.640 -0.000 0.000 0.276 493 D C 1.621 177.958 176.300 0.062 0.000 1.206 493 D CA -0.448 53.601 54.000 0.083 0.000 1.081 493 D CB 0.216 41.101 40.800 0.142 0.000 1.142 493 D HN 0.664 nan 8.370 nan 0.000 0.595 494 A N -1.302 121.550 122.820 0.053 0.000 2.070 494 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 494 A C 1.185 178.618 177.584 -0.251 0.000 1.159 494 A CA 0.953 52.933 52.037 -0.094 0.000 0.656 494 A CB -1.002 17.921 19.000 -0.130 0.000 0.800 494 A HN 0.545 nan 8.150 nan 0.000 0.453 495 Y N -0.518 119.795 120.300 0.021 0.000 2.625 495 Y HA 0.211 4.761 4.550 -0.000 0.000 0.285 495 Y C 0.495 176.411 175.900 0.027 0.000 1.168 495 Y CA -0.215 57.898 58.100 0.023 0.000 1.250 495 Y CB -0.727 37.732 38.460 -0.001 0.000 1.130 495 Y HN 0.485 nan 8.280 nan 0.000 0.526 496 N N -0.274 118.481 118.700 0.093 0.000 2.735 496 N HA -0.193 4.547 4.740 -0.000 0.000 0.248 496 N C -0.626 174.926 175.510 0.070 0.000 1.083 496 N CA 0.491 53.579 53.050 0.063 0.000 0.703 496 N CB -0.571 37.939 38.487 0.039 0.000 1.005 496 N HN 0.212 nan 8.380 nan 0.000 0.550 497 M N -0.446 119.211 119.600 0.095 0.000 2.705 497 M HA 0.430 4.910 4.480 -0.000 0.000 0.311 497 M C -2.252 174.103 176.300 0.091 0.000 1.214 497 M CA -2.019 53.324 55.300 0.072 0.000 0.920 497 M CB 0.957 33.600 32.600 0.071 0.000 1.687 497 M HN -0.305 nan 8.290 nan 0.000 0.481 498 P HA -0.015 nan 4.420 nan 0.000 0.261 498 P C -0.682 176.762 177.300 0.241 0.000 1.183 498 P CA 0.104 63.294 63.100 0.151 0.000 0.761 498 P CB 0.227 32.024 31.700 0.162 0.000 0.785 499 Q N 6.942 126.828 119.800 0.144 0.000 2.262 499 Q HA 0.132 4.472 4.340 -0.000 0.000 0.272 499 Q C -2.232 173.723 176.000 -0.076 0.000 1.076 499 Q CA -1.807 54.027 55.803 0.052 0.000 0.905 499 Q CB -0.332 28.391 28.738 -0.025 0.000 1.182 499 Q HN 0.288 nan 8.270 nan 0.000 0.390 500 P HA 0.106 nan 4.420 nan 0.000 0.271 500 P C -1.063 175.765 177.300 -0.787 0.000 1.216 500 P CA -0.075 62.623 63.100 -0.670 0.000 0.776 500 P CB 1.025 32.411 31.700 -0.523 0.000 0.881 501 T N 2.783 116.648 114.554 -1.148 0.000 2.952 501 T HA 0.526 4.876 4.350 -0.000 0.000 0.305 501 T C -0.700 173.329 174.700 -1.119 0.000 1.064 501 T CA -0.115 61.302 62.100 -1.138 0.000 1.008 501 T CB 0.562 68.437 68.868 -1.654 0.000 1.078 501 T HN 0.035 nan 8.240 nan 0.000 0.459 502 F N 1.855 121.530 119.950 -0.458 0.000 2.425 502 F HA 0.586 5.113 4.527 -0.000 0.000 0.331 502 F C 0.472 176.239 175.800 -0.055 0.000 1.085 502 F CA -0.973 56.897 58.000 -0.217 0.000 1.028 502 F CB 1.332 40.251 39.000 -0.136 0.000 1.177 502 F HN 0.410 nan 8.300 nan 0.000 0.487 503 D N 2.912 123.509 120.400 0.327 0.000 2.358 503 D HA 0.235 4.875 4.640 -0.000 0.000 0.253 503 D C -1.844 174.595 176.300 0.231 0.000 1.288 503 D CA -0.101 54.065 54.000 0.276 0.000 0.950 503 D CB 0.321 41.312 40.800 0.318 0.000 1.197 503 D HN 0.287 nan 8.370 nan 0.000 0.550 504 F N 3.288 123.240 119.950 0.003 0.000 2.574 504 F HA 0.570 5.097 4.527 -0.000 0.000 0.313 504 F C -1.107 174.605 175.800 -0.147 0.000 1.130 504 F CA -0.619 57.316 58.000 -0.107 0.000 0.936 504 F CB 1.354 40.218 39.000 -0.226 0.000 1.219 504 F HN 0.017 nan 8.300 nan 0.000 0.445 505 R N 4.653 124.695 120.500 -0.762 0.000 2.686 505 R HA 0.351 4.691 4.340 -0.000 0.000 0.283 505 R C -1.442 174.287 176.300 -0.952 0.000 0.978 505 R CA -1.011 54.731 56.100 -0.597 0.000 0.897 505 R CB 1.703 31.850 30.300 -0.255 0.000 1.192 505 R HN 0.583 nan 8.270 nan 0.000 0.457 506 F N 3.392 123.140 119.950 -0.337 0.000 2.593 506 F HA 0.055 4.582 4.527 -0.000 0.000 0.393 506 F C -1.274 174.416 175.800 -0.183 0.000 1.037 506 F CA -0.496 57.404 58.000 -0.167 0.000 1.195 506 F CB -0.285 38.721 39.000 0.012 0.000 1.034 506 F HN 0.155 nan 8.300 nan 0.000 0.552 507 P HA 0.176 nan 4.420 nan 0.000 0.268 507 P C -0.539 176.784 177.300 0.038 0.000 1.205 507 P CA -0.355 62.733 63.100 -0.020 0.000 0.771 507 P CB 0.577 32.271 31.700 -0.009 0.000 0.858 508 A N 2.693 125.519 122.820 0.011 0.000 2.536 508 A HA 0.438 4.758 4.320 -0.000 0.000 0.234 508 A C 1.190 178.793 177.584 0.031 0.000 1.076 508 A CA 1.082 53.130 52.037 0.017 0.000 0.769 508 A CB -1.241 17.761 19.000 0.003 0.000 1.020 508 A HN 0.881 nan 8.150 nan 0.000 0.508 509 G N 0.276 109.096 108.800 0.032 0.000 2.481 509 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.230 509 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.230 509 G C 1.001 175.934 174.900 0.055 0.000 1.210 509 G CA 0.749 45.873 45.100 0.040 0.000 0.936 509 G HN 1.070 nan 8.290 nan 0.000 0.583 510 R N -0.153 120.386 120.500 0.065 0.000 2.091 510 R HA -0.096 4.244 4.340 -0.000 0.000 0.238 510 R C 2.805 179.166 176.300 0.101 0.000 1.136 510 R CA 2.752 58.900 56.100 0.081 0.000 0.959 510 R CB -0.920 29.430 30.300 0.083 0.000 0.856 510 R HN 0.633 nan 8.270 nan 0.000 0.437 511 T N 0.091 114.710 114.554 0.108 0.000 2.652 511 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 511 T C 1.925 176.686 174.700 0.101 0.000 1.039 511 T CA 1.912 64.092 62.100 0.133 0.000 1.153 511 T CB -0.205 68.761 68.868 0.163 0.000 0.863 511 T HN 0.294 nan 8.240 nan 0.000 0.428 512 S N 0.617 116.360 115.700 0.071 0.000 2.368 512 S HA -0.045 4.425 4.470 -0.000 0.000 0.224 512 S C 2.016 176.629 174.600 0.021 0.000 1.029 512 S CA 0.995 59.207 58.200 0.019 0.000 0.988 512 S CB -0.204 63.002 63.200 0.012 0.000 0.838 512 S HN 0.505 nan 8.310 nan 0.000 0.462 513 K N 1.395 121.824 120.400 0.048 0.000 2.026 513 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 513 K C 1.868 178.522 176.600 0.090 0.000 1.048 513 K CA 1.490 57.812 56.287 0.058 0.000 0.929 513 K CB -0.141 32.397 32.500 0.064 0.000 0.713 513 K HN 0.358 nan 8.250 nan 0.000 0.439 514 E N -0.028 120.251 120.200 0.131 0.000 2.150 514 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 514 E C 1.955 178.641 176.600 0.143 0.000 0.985 514 E CA 0.858 57.389 56.400 0.218 0.000 0.814 514 E CB -0.084 29.786 29.700 0.285 0.000 0.752 514 E HN 0.454 nan 8.360 nan 0.000 0.466 515 A N 1.377 124.257 122.820 0.100 0.000 1.908 515 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 515 A C 2.088 179.727 177.584 0.092 0.000 1.181 515 A CA 1.783 53.874 52.037 0.090 0.000 0.627 515 A CB -0.343 18.683 19.000 0.044 0.000 0.818 515 A HN 0.116 nan 8.150 nan 0.000 0.445 516 E N 0.479 120.722 120.200 0.072 0.000 2.107 516 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 516 E C 1.343 177.913 176.600 -0.050 0.000 0.982 516 E CA 1.351 57.783 56.400 0.055 0.000 0.809 516 E CB -0.302 29.418 29.700 0.033 0.000 0.756 516 E HN 0.525 nan 8.360 nan 0.000 0.459 517 D N -0.019 120.355 120.400 -0.043 0.000 2.149 517 D HA -0.201 4.439 4.640 -0.000 0.000 0.198 517 D C 1.911 177.936 176.300 -0.459 0.000 0.990 517 D CA 1.229 55.179 54.000 -0.084 0.000 0.839 517 D CB -0.312 40.578 40.800 0.150 0.000 0.948 517 D HN 0.338 nan 8.370 nan 0.000 0.460 518 M N -0.339 118.831 119.600 -0.716 0.000 2.156 518 M HA -0.157 4.323 4.480 -0.000 0.000 0.264 518 M C 2.061 177.934 176.300 -0.711 0.000 1.067 518 M CA 1.072 55.615 55.300 -1.262 0.000 1.131 518 M CB 0.021 32.119 32.600 -0.836 0.000 1.368 518 M HN -0.059 nan 8.290 nan 0.000 0.416 519 M N 0.603 119.921 119.600 -0.471 0.000 2.065 519 M HA -0.167 4.313 4.480 -0.000 0.000 0.259 519 M C 1.789 177.863 176.300 -0.377 0.000 1.069 519 M CA 2.494 57.523 55.300 -0.451 0.000 1.110 519 M CB -1.032 31.386 32.600 -0.302 0.000 1.328 519 M HN 0.286 nan 8.290 nan 0.000 0.405 520 T N -0.065 114.335 114.554 -0.257 0.000 2.759 520 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 520 T C 1.502 176.108 174.700 -0.158 0.000 1.042 520 T CA 1.774 63.775 62.100 -0.165 0.000 1.140 520 T CB -0.619 68.200 68.868 -0.082 0.000 0.864 520 T HN 0.533 nan 8.240 nan 0.000 0.455 521 D N 0.539 120.832 120.400 -0.178 0.000 2.144 521 D HA -0.044 4.596 4.640 -0.000 0.000 0.199 521 D C 2.040 178.280 176.300 -0.099 0.000 0.984 521 D CA 0.780 54.788 54.000 0.012 0.000 0.834 521 D CB -0.233 40.685 40.800 0.197 0.000 0.955 521 D HN 0.299 nan 8.370 nan 0.000 0.465 522 M N -0.603 118.689 119.600 -0.513 0.000 2.175 522 M HA -0.148 4.332 4.480 -0.000 0.000 0.264 522 M C 1.846 177.816 176.300 -0.549 0.000 1.063 522 M CA 1.255 55.999 55.300 -0.926 0.000 1.119 522 M CB -0.070 31.749 32.600 -1.302 0.000 1.377 522 M HN 0.176 nan 8.290 nan 0.000 0.415 523 C N -0.508 118.584 119.300 -0.347 0.000 2.446 523 C HA -0.070 4.390 4.460 -0.000 0.000 0.277 523 C C 2.643 177.520 174.990 -0.189 0.000 1.275 523 C CA 0.631 59.545 59.018 -0.172 0.000 1.727 523 C CB -0.885 26.815 27.740 -0.066 0.000 2.010 523 C HN 0.471 nan 8.230 nan 0.000 0.486 524 V N 0.620 120.455 119.914 -0.131 0.000 2.307 524 V HA -0.286 3.834 4.120 -0.000 0.000 0.245 524 V C 2.428 178.490 176.094 -0.055 0.000 1.045 524 V CA 2.192 64.449 62.300 -0.071 0.000 1.024 524 V CB -0.675 31.158 31.823 0.017 0.000 0.651 524 V HN 0.560 nan 8.190 nan 0.000 0.449 525 M N 0.803 120.412 119.600 0.015 0.000 2.086 525 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 525 M C 2.490 178.672 176.300 -0.196 0.000 1.067 525 M CA 2.393 57.778 55.300 0.141 0.000 1.116 525 M CB -0.229 32.601 32.600 0.383 0.000 1.348 525 M HN 0.573 nan 8.290 nan 0.000 0.407 526 S N 0.362 115.624 115.700 -0.729 0.000 2.399 526 S HA -0.070 4.400 4.470 -0.000 0.000 0.231 526 S C 1.946 176.183 174.600 -0.605 0.000 1.022 526 S CA 0.999 58.419 58.200 -1.299 0.000 0.983 526 S CB -0.815 61.428 63.200 -1.596 0.000 0.803 526 S HN 0.562 nan 8.310 nan 0.000 0.480 527 A N 1.955 124.508 122.820 -0.445 0.000 2.070 527 A HA 0.008 4.328 4.320 -0.000 0.000 0.220 527 A C 2.158 179.621 177.584 -0.201 0.000 1.159 527 A CA 1.277 53.106 52.037 -0.347 0.000 0.656 527 A CB -0.510 18.312 19.000 -0.296 0.000 0.800 527 A HN 0.639 nan 8.150 nan 0.000 0.453 528 K N -0.638 119.687 120.400 -0.126 0.000 2.365 528 K HA 0.061 4.381 4.320 -0.000 0.000 0.199 528 K C 1.117 177.715 176.600 -0.002 0.000 1.045 528 K CA 0.634 56.892 56.287 -0.048 0.000 0.962 528 K CB 0.026 32.531 32.500 0.009 0.000 0.759 528 K HN 0.408 nan 8.250 nan 0.000 0.469 529 I N -0.653 119.934 120.570 0.029 0.000 3.172 529 I HA 0.146 4.316 4.170 -0.000 0.000 0.278 529 I C 1.158 177.297 176.117 0.036 0.000 1.174 529 I CA 0.605 61.968 61.300 0.105 0.000 1.445 529 I CB -0.008 38.196 38.000 0.339 0.000 1.175 529 I HN 0.107 nan 8.210 nan 0.000 0.447 530 G N -0.601 108.171 108.800 -0.047 0.000 2.342 530 G HA2 0.465 4.425 3.960 -0.000 0.000 0.297 530 G HA3 0.465 4.425 3.960 -0.000 0.000 0.297 530 G C -0.824 173.937 174.900 -0.231 0.000 1.313 530 G CA -0.118 44.925 45.100 -0.094 0.000 0.830 530 G HN 0.277 nan 8.290 nan 0.000 0.506 531 G N -1.164 107.501 108.800 -0.224 0.000 2.504 531 G HA2 0.580 4.540 3.960 -0.000 0.000 0.288 531 G HA3 0.580 4.540 3.960 -0.000 0.000 0.288 531 G C -0.340 174.389 174.900 -0.285 0.000 1.182 531 G CA -0.558 44.324 45.100 -0.364 0.000 0.894 531 G HN 0.415 nan 8.290 nan 0.000 0.521 532 F N -0.711 119.155 119.950 -0.140 0.000 2.545 532 F HA 0.199 4.726 4.527 -0.000 0.000 0.348 532 F C 0.708 176.457 175.800 -0.085 0.000 1.163 532 F CA -0.663 57.249 58.000 -0.147 0.000 1.331 532 F CB 0.593 39.497 39.000 -0.160 0.000 1.138 532 F HN 0.157 nan 8.300 nan 0.000 0.602 533 L N 5.406 126.715 121.223 0.143 0.000 2.281 533 L HA 0.437 4.777 4.340 -0.000 0.000 0.285 533 L C -2.407 174.517 176.870 0.089 0.000 1.074 533 L CA -2.209 52.687 54.840 0.093 0.000 0.817 533 L CB 0.205 42.315 42.059 0.086 0.000 1.168 533 L HN 0.270 nan 8.230 nan 0.000 0.434 534 P HA 0.167 nan 4.420 nan 0.000 0.261 534 P C 0.659 178.001 177.300 0.070 0.000 1.173 534 P CA 1.195 64.335 63.100 0.066 0.000 0.760 534 P CB 0.555 32.291 31.700 0.060 0.000 0.783 535 G N 2.387 111.217 108.800 0.049 0.000 2.225 535 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.254 535 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.254 535 G C 0.538 175.490 174.900 0.086 0.000 0.988 535 G CA 0.281 45.419 45.100 0.064 0.000 0.625 535 G HN 0.520 nan 8.290 nan 0.000 0.527 536 S N 1.069 116.805 115.700 0.059 0.000 2.499 536 S HA 0.590 5.060 4.470 -0.000 0.000 0.238 536 S C 0.963 175.458 174.600 -0.175 0.000 1.205 536 S CA 0.146 58.363 58.200 0.030 0.000 1.203 536 S CB 0.705 63.918 63.200 0.022 0.000 0.954 536 S HN 1.160 nan 8.310 nan 0.000 0.484 537 G N 3.053 111.720 108.800 -0.221 0.000 2.699 537 G HA2 0.326 4.286 3.960 -0.000 0.000 0.246 537 G HA3 0.326 4.286 3.960 -0.000 0.000 0.246 537 G C -2.686 171.861 174.900 -0.588 0.000 1.219 537 G CA -1.151 43.626 45.100 -0.539 0.000 0.866 537 G HN 0.171 nan 8.290 nan 0.000 0.572 538 P HA 0.095 nan 4.420 nan 0.000 0.264 538 P C -0.572 176.508 177.300 -0.367 0.000 1.193 538 P CA 0.509 63.234 63.100 -0.626 0.000 0.763 538 P CB 0.668 31.955 31.700 -0.688 0.000 0.810 539 Q N 1.792 121.426 119.800 -0.276 0.000 2.435 539 Q HA 0.492 4.832 4.340 -0.000 0.000 0.282 539 Q C -1.377 174.510 176.000 -0.189 0.000 1.020 539 Q CA -0.889 54.836 55.803 -0.130 0.000 0.820 539 Q CB 0.834 29.565 28.738 -0.011 0.000 1.436 539 Q HN 0.112 nan 8.270 nan 0.000 0.395 540 F N 1.457 121.361 119.950 -0.077 0.000 2.429 540 F HA 0.336 4.863 4.527 -0.000 0.000 0.348 540 F C 0.703 176.481 175.800 -0.037 0.000 1.109 540 F CA -0.134 57.822 58.000 -0.073 0.000 1.232 540 F CB 0.994 39.937 39.000 -0.096 0.000 1.157 540 F HN 0.361 nan 8.300 nan 0.000 0.564 541 M N 1.557 121.224 119.600 0.111 0.000 2.444 541 M HA 0.168 4.648 4.480 -0.000 0.000 0.319 541 M C 0.072 176.421 176.300 0.082 0.000 1.183 541 M CA -0.611 54.721 55.300 0.053 0.000 1.032 541 M CB 1.293 33.884 32.600 -0.015 0.000 1.569 541 M HN 0.592 nan 8.290 nan 0.000 0.468 542 E N 3.222 123.443 120.200 0.035 0.000 2.652 542 E HA -0.005 4.345 4.350 -0.000 0.000 0.255 542 E C -2.106 174.520 176.600 0.043 0.000 0.952 542 E CA -1.196 55.221 56.400 0.030 0.000 0.947 542 E CB 0.364 30.056 29.700 -0.012 0.000 0.912 542 E HN 0.156 nan 8.360 nan 0.000 0.489 543 P HA -0.021 nan 4.420 nan 0.000 0.260 543 P C 0.410 177.648 177.300 -0.103 0.000 1.185 543 P CA 1.167 64.308 63.100 0.068 0.000 0.763 543 P CB 0.493 32.226 31.700 0.055 0.000 0.776 544 G N 2.439 111.175 108.800 -0.106 0.000 2.195 544 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.246 544 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.246 544 G C 0.679 175.527 174.900 -0.087 0.000 0.984 544 G CA 0.194 45.191 45.100 -0.172 0.000 0.633 544 G HN 0.522 nan 8.290 nan 0.000 0.525 545 L N 0.945 122.139 121.223 -0.048 0.000 2.093 545 L HA 0.206 4.546 4.340 -0.000 0.000 0.208 545 L C 2.866 179.721 176.870 -0.025 0.000 1.085 545 L CA 2.419 57.235 54.840 -0.040 0.000 0.755 545 L CB -0.495 41.538 42.059 -0.044 0.000 0.904 545 L HN 0.525 nan 8.230 nan 0.000 0.435 546 V N 0.335 120.251 119.914 0.005 0.000 2.252 546 V HA -0.313 3.807 4.120 -0.000 0.000 0.255 546 V C 1.512 177.494 176.094 -0.188 0.000 1.071 546 V CA 2.284 64.591 62.300 0.011 0.000 1.050 546 V CB -0.208 31.702 31.823 0.146 0.000 0.654 546 V HN 0.510 nan 8.190 nan 0.000 0.448 547 L N -0.520 120.626 121.223 -0.128 0.000 3.487 547 L HA -0.184 4.156 4.340 -0.000 0.000 0.450 547 L C -0.066 176.752 176.870 -0.086 0.000 1.290 547 L CA 0.782 55.570 54.840 -0.088 0.000 0.874 547 L CB -2.371 39.676 42.059 -0.019 0.000 1.804 547 L HN 0.670 nan 8.230 nan 0.000 0.831 548 H N -0.510 118.660 119.070 0.166 0.000 2.591 548 H HA 0.323 4.878 4.556 -0.000 0.000 0.241 548 H C 0.214 175.666 175.328 0.206 0.000 1.292 548 H CA -1.050 55.130 56.048 0.220 0.000 1.022 548 H CB 0.722 30.668 29.762 0.308 0.000 1.875 548 H HN 0.151 nan 8.280 nan 0.000 0.570 549 L N 2.300 123.641 121.223 0.197 0.000 2.660 549 L HA 0.141 4.481 4.340 -0.000 0.000 0.272 549 L C 0.736 177.723 176.870 0.195 0.000 1.194 549 L CA 0.762 55.679 54.840 0.128 0.000 0.945 549 L CB -0.083 42.021 42.059 0.075 0.000 1.212 549 L HN 0.451 nan 8.230 nan 0.000 0.490 550 G N 2.188 111.123 108.800 0.225 0.000 2.685 550 G HA2 0.541 4.501 3.960 -0.000 0.000 0.298 550 G HA3 0.541 4.501 3.960 -0.000 0.000 0.298 550 G C 0.452 175.456 174.900 0.173 0.000 1.277 550 G CA -0.274 44.983 45.100 0.261 0.000 0.986 550 G HN 1.241 nan 8.290 nan 0.000 0.487 551 G N -1.193 107.685 108.800 0.130 0.000 2.184 551 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.264 551 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.264 551 G C 1.380 176.354 174.900 0.124 0.000 0.975 551 G CA 1.617 46.801 45.100 0.139 0.000 0.642 551 G HN 1.811 nan 8.290 nan 0.000 0.536 552 T N -1.956 112.623 114.554 0.043 0.000 2.962 552 T HA 0.111 4.461 4.350 -0.000 0.000 0.270 552 T C 1.103 175.903 174.700 0.167 0.000 1.088 552 T CA 1.930 64.096 62.100 0.109 0.000 1.127 552 T CB -0.275 68.658 68.868 0.108 0.000 0.883 552 T HN 1.566 nan 8.240 nan 0.000 0.493 553 H N -0.162 118.985 119.070 0.129 0.000 2.695 553 H HA 0.457 5.013 4.556 -0.000 0.000 0.222 553 H C -0.174 175.199 175.328 0.075 0.000 1.412 553 H CA -1.350 54.750 56.048 0.087 0.000 1.347 553 H CB -0.332 29.448 29.762 0.030 0.000 1.858 553 H HN 0.365 nan 8.280 nan 0.000 0.519 554 R N 0.928 121.528 120.500 0.167 0.000 2.539 554 R HA 0.332 4.672 4.340 -0.000 0.000 0.275 554 R C -0.313 176.052 176.300 0.108 0.000 1.077 554 R CA -0.775 55.391 56.100 0.110 0.000 1.097 554 R CB 1.087 31.442 30.300 0.092 0.000 1.018 554 R HN 0.491 nan 8.270 nan 0.000 0.483 555 M N 1.696 121.334 119.600 0.064 0.000 2.274 555 M HA 0.431 4.911 4.480 -0.000 0.000 0.344 555 M C -0.554 175.745 176.300 -0.002 0.000 1.161 555 M CA 0.303 55.615 55.300 0.020 0.000 1.126 555 M CB 1.437 34.023 32.600 -0.024 0.000 1.522 555 M HN 0.937 nan 8.290 nan 0.000 0.461 556 G N 2.213 111.025 108.800 0.019 0.000 2.608 556 G HA2 0.439 4.399 3.960 -0.000 0.000 0.291 556 G HA3 0.439 4.399 3.960 -0.000 0.000 0.291 556 G C -0.871 174.046 174.900 0.029 0.000 1.425 556 G CA -0.711 44.361 45.100 -0.046 0.000 0.787 556 G HN 0.696 nan 8.290 nan 0.000 0.484 557 F N -0.086 119.965 119.950 0.169 0.000 2.206 557 F HA 0.208 4.735 4.527 -0.000 0.000 0.298 557 F C 1.242 177.165 175.800 0.205 0.000 1.090 557 F CA 1.021 59.124 58.000 0.172 0.000 1.323 557 F CB 0.502 39.559 39.000 0.095 0.000 1.028 557 F HN 0.287 nan 8.300 nan 0.000 0.492 558 D N -0.417 120.132 120.400 0.248 0.000 2.696 558 D HA 0.052 4.692 4.640 -0.000 0.000 0.251 558 D C 0.609 176.731 176.300 -0.297 0.000 1.188 558 D CA -0.099 53.877 54.000 -0.040 0.000 0.876 558 D CB 1.786 42.592 40.800 0.011 0.000 1.334 558 D HN 0.197 nan 8.370 nan 0.000 0.540 559 E N 3.502 123.198 120.200 -0.840 0.000 2.070 559 E HA -0.250 4.100 4.350 -0.000 0.000 0.197 559 E C 1.488 177.923 176.600 -0.275 0.000 1.004 559 E CA 1.433 57.360 56.400 -0.788 0.000 0.805 559 E CB 0.309 29.442 29.700 -0.945 0.000 0.744 559 E HN 0.403 nan 8.360 nan 0.000 0.451 560 K N 0.050 120.328 120.400 -0.203 0.000 2.044 560 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 560 K C 2.024 178.595 176.600 -0.048 0.000 1.049 560 K CA 1.370 57.605 56.287 -0.086 0.000 0.945 560 K CB 0.101 32.562 32.500 -0.065 0.000 0.724 560 K HN 0.108 nan 8.250 nan 0.000 0.440 561 E N 0.304 120.476 120.200 -0.045 0.000 2.106 561 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 561 E C 0.789 177.386 176.600 -0.005 0.000 0.984 561 E CA 1.043 57.437 56.400 -0.009 0.000 0.806 561 E CB 0.133 29.838 29.700 0.009 0.000 0.750 561 E HN 0.356 nan 8.360 nan 0.000 0.458 562 D N 0.228 120.620 120.400 -0.014 0.000 2.363 562 D HA 0.050 4.690 4.640 -0.000 0.000 0.214 562 D C -0.655 175.589 176.300 -0.093 0.000 1.093 562 D CA -0.008 53.979 54.000 -0.021 0.000 0.837 562 D CB 0.019 40.839 40.800 0.033 0.000 0.948 562 D HN 0.082 nan 8.370 nan 0.000 0.507 563 N N 0.672 119.320 118.700 -0.086 0.000 2.642 563 N HA -0.189 4.551 4.740 -0.000 0.000 0.269 563 N C -0.360 175.101 175.510 -0.082 0.000 1.073 563 N CA 0.503 53.494 53.050 -0.098 0.000 0.748 563 N CB -1.337 37.003 38.487 -0.246 0.000 0.894 563 N HN 0.393 nan 8.380 nan 0.000 0.548 564 C N -2.818 116.499 119.300 0.029 0.000 3.291 564 C HA 0.750 5.210 4.460 -0.000 0.000 0.316 564 C C 1.364 176.536 174.990 0.302 0.000 1.391 564 C CA -0.737 58.368 59.018 0.145 0.000 1.394 564 C CB 1.499 29.341 27.740 0.170 0.000 1.744 564 C HN 0.541 nan 8.230 nan 0.000 0.461 565 C N 0.405 119.902 119.300 0.328 0.000 2.800 565 C HA 0.472 4.932 4.460 -0.000 0.000 0.379 565 C C 0.790 175.881 174.990 0.168 0.000 1.304 565 C CA 0.639 59.843 59.018 0.310 0.000 1.960 565 C CB -0.416 27.434 27.740 0.183 0.000 2.599 565 C HN 0.964 nan 8.230 nan 0.000 0.578 566 V N 1.335 121.241 119.914 -0.013 0.000 2.914 566 V HA 0.698 4.818 4.120 -0.000 0.000 0.314 566 V C -0.728 175.034 176.094 -0.553 0.000 1.084 566 V CA -0.671 61.387 62.300 -0.404 0.000 0.963 566 V CB 1.506 33.209 31.823 -0.201 0.000 1.025 566 V HN 0.418 nan 8.190 nan 0.000 0.432 567 N N 0.994 119.203 118.700 -0.817 0.000 2.431 567 N HA 0.242 4.982 4.740 -0.000 0.000 0.289 567 N C 1.031 176.404 175.510 -0.229 0.000 1.277 567 N CA 0.219 53.003 53.050 -0.443 0.000 0.972 567 N CB -0.049 38.200 38.487 -0.396 0.000 1.143 567 N HN 0.937 nan 8.380 nan 0.000 0.578 568 T N -4.774 109.695 114.554 -0.142 0.000 3.163 568 T HA 0.018 4.368 4.350 -0.000 0.000 0.260 568 T C 0.062 174.685 174.700 -0.128 0.000 1.156 568 T CA 0.561 62.576 62.100 -0.141 0.000 1.072 568 T CB -0.383 68.422 68.868 -0.105 0.000 0.937 568 T HN 0.431 nan 8.240 nan 0.000 0.528 569 D N 1.148 121.459 120.400 -0.149 0.000 2.342 569 D HA 0.196 4.836 4.640 -0.000 0.000 0.221 569 D C 0.485 176.794 176.300 0.016 0.000 1.101 569 D CA 0.046 53.975 54.000 -0.118 0.000 0.837 569 D CB 0.082 40.673 40.800 -0.348 0.000 0.938 569 D HN 0.315 nan 8.370 nan 0.000 0.508 570 S N 0.342 116.020 115.700 -0.037 0.000 3.521 570 S HA -0.263 4.207 4.470 -0.000 0.000 0.328 570 S C 0.546 175.116 174.600 -0.049 0.000 1.165 570 S CA 0.511 58.721 58.200 0.018 0.000 0.941 570 S CB -1.279 62.014 63.200 0.155 0.000 0.951 570 S HN 0.468 nan 8.310 nan 0.000 0.539 571 R N 0.837 121.159 120.500 -0.297 0.000 2.368 571 R HA 0.498 4.838 4.340 -0.000 0.000 0.302 571 R C -0.149 175.817 176.300 -0.556 0.000 1.002 571 R CA -0.507 55.193 56.100 -0.665 0.000 0.929 571 R CB 0.797 30.678 30.300 -0.698 0.000 1.073 571 R HN 0.131 nan 8.270 nan 0.000 0.464 572 V N 6.067 125.701 119.914 -0.467 0.000 2.479 572 V HA 0.050 4.170 4.120 -0.000 0.000 0.281 572 V C 0.066 176.102 176.094 -0.097 0.000 1.031 572 V CA 0.046 62.181 62.300 -0.276 0.000 1.038 572 V CB -0.027 31.634 31.823 -0.270 0.000 0.981 572 V HN 0.576 nan 8.190 nan 0.000 0.478 573 F N 4.110 124.098 119.950 0.064 0.000 2.623 573 F HA 0.336 4.863 4.527 -0.000 0.000 0.386 573 F C 1.607 177.525 175.800 0.197 0.000 1.068 573 F CA 1.669 59.730 58.000 0.101 0.000 1.265 573 F CB -0.260 38.793 39.000 0.088 0.000 1.026 573 F HN 0.798 nan 8.300 nan 0.000 0.568 574 G N 2.174 111.140 108.800 0.275 0.000 2.268 574 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.240 574 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.240 574 G C -0.078 174.735 174.900 -0.145 0.000 1.010 574 G CA -0.445 44.690 45.100 0.058 0.000 0.618 574 G HN 0.453 nan 8.290 nan 0.000 0.516 575 F N 1.091 121.066 119.950 0.042 0.000 2.427 575 F HA 0.631 5.158 4.527 -0.000 0.000 0.346 575 F C 1.332 177.126 175.800 -0.011 0.000 1.120 575 F CA -0.855 57.157 58.000 0.020 0.000 1.033 575 F CB 1.716 40.724 39.000 0.013 0.000 1.126 575 F HN -0.216 nan 8.300 nan 0.000 0.462 576 K N 1.882 122.389 120.400 0.179 0.000 2.148 576 K HA -0.084 4.236 4.320 -0.000 0.000 0.204 576 K C 0.795 177.612 176.600 0.362 0.000 1.050 576 K CA 1.160 57.589 56.287 0.237 0.000 0.942 576 K CB 0.025 32.667 32.500 0.236 0.000 0.724 576 K HN 0.724 nan 8.250 nan 0.000 0.446 577 N N -0.214 118.672 118.700 0.311 0.000 2.307 577 N HA 0.015 4.755 4.740 -0.000 0.000 0.248 577 N C -0.759 174.905 175.510 0.256 0.000 1.322 577 N CA -0.335 52.947 53.050 0.385 0.000 0.861 577 N CB -0.144 38.605 38.487 0.436 0.000 1.303 577 N HN -0.083 nan 8.380 nan 0.000 0.498 578 L N 0.849 122.034 121.223 -0.062 0.000 2.325 578 L HA 0.697 5.037 4.340 -0.000 0.000 0.281 578 L C -1.739 174.800 176.870 -0.552 0.000 1.004 578 L CA -0.593 54.155 54.840 -0.155 0.000 0.823 578 L CB 0.755 42.680 42.059 -0.225 0.000 1.236 578 L HN -0.036 nan 8.230 nan 0.000 0.415 579 F N 4.887 124.750 119.950 -0.144 0.000 2.563 579 F HA 0.657 5.184 4.527 -0.000 0.000 0.316 579 F C -0.559 175.089 175.800 -0.254 0.000 1.076 579 F CA -0.734 57.158 58.000 -0.180 0.000 0.921 579 F CB 1.801 40.710 39.000 -0.151 0.000 1.209 579 F HN 0.174 nan 8.300 nan 0.000 0.462 580 L N 1.934 123.118 121.223 -0.066 0.000 2.341 580 L HA 0.849 5.189 4.340 -0.000 0.000 0.278 580 L C 0.070 176.959 176.870 0.031 0.000 1.005 580 L CA -0.751 53.983 54.840 -0.176 0.000 0.818 580 L CB 1.820 43.609 42.059 -0.450 0.000 1.259 580 L HN 0.790 nan 8.230 nan 0.000 0.418 581 G N 0.532 109.377 108.800 0.074 0.000 2.481 581 G HA2 0.807 4.767 3.960 -0.000 0.000 0.315 581 G HA3 0.807 4.767 3.960 -0.000 0.000 0.315 581 G C -0.439 174.597 174.900 0.227 0.000 1.231 581 G CA -0.290 44.948 45.100 0.231 0.000 0.968 581 G HN 0.957 nan 8.290 nan 0.000 0.482 582 G N -1.382 107.531 108.800 0.187 0.000 2.353 582 G HA2 0.032 3.992 3.960 -0.000 0.000 0.615 582 G HA3 0.032 3.992 3.960 -0.000 0.000 0.615 582 G C 0.865 175.809 174.900 0.073 0.000 1.280 582 G CA 0.030 45.209 45.100 0.132 0.000 1.000 582 G HN 1.199 nan 8.290 nan 0.000 0.516 583 C N 0.570 119.893 119.300 0.039 0.000 2.403 583 C HA 0.088 4.548 4.460 -0.000 0.000 0.282 583 C C 3.115 178.081 174.990 -0.041 0.000 1.297 583 C CA 2.095 61.123 59.018 0.016 0.000 1.785 583 C CB -1.438 26.356 27.740 0.089 0.000 1.963 583 C HN 1.378 nan 8.230 nan 0.000 0.507 584 G N 0.862 109.530 108.800 -0.221 0.000 2.479 584 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 584 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 584 G C 1.409 175.988 174.900 -0.535 0.000 1.115 584 G CA 0.847 45.554 45.100 -0.655 0.000 0.757 584 G HN 0.569 nan 8.290 nan 0.000 0.560 585 N N 0.248 118.829 118.700 -0.200 0.000 2.409 585 N HA 0.044 4.784 4.740 -0.000 0.000 0.179 585 N C 0.842 176.375 175.510 0.038 0.000 1.032 585 N CA 0.123 53.197 53.050 0.039 0.000 0.898 585 N CB 0.078 38.632 38.487 0.111 0.000 0.971 585 N HN 0.306 nan 8.380 nan 0.000 0.441 586 I N 2.896 123.488 120.570 0.036 0.000 2.452 586 I HA 0.056 4.226 4.170 -0.000 0.000 0.287 586 I C -1.313 174.901 176.117 0.163 0.000 1.079 586 I CA -1.087 60.264 61.300 0.086 0.000 1.387 586 I CB 1.318 39.330 38.000 0.020 0.000 1.404 586 I HN -0.072 nan 8.210 nan 0.000 0.522 587 P HA 0.049 nan 4.420 nan 0.000 0.264 587 P C 0.346 177.728 177.300 0.138 0.000 1.259 587 P CA 0.272 63.440 63.100 0.113 0.000 0.841 587 P CB 0.188 31.916 31.700 0.045 0.000 1.232 588 T N -1.967 112.702 114.554 0.191 0.000 2.862 588 T HA 0.661 5.011 4.350 -0.000 0.000 0.276 588 T C 0.251 175.074 174.700 0.206 0.000 0.974 588 T CA -0.826 61.376 62.100 0.170 0.000 0.966 588 T CB 1.010 69.962 68.868 0.140 0.000 1.072 588 T HN 0.069 nan 8.240 nan 0.000 0.538 589 A N 1.742 124.620 122.820 0.096 0.000 2.302 589 A HA 0.612 4.932 4.320 -0.000 0.000 0.295 589 A C -0.679 176.867 177.584 -0.064 0.000 1.235 589 A CA -0.861 51.178 52.037 0.003 0.000 0.876 589 A CB -0.807 18.219 19.000 0.043 0.000 1.133 589 A HN 0.891 nan 8.150 nan 0.000 0.533 590 Y N -0.416 119.794 120.300 -0.150 0.000 2.492 590 Y HA 0.696 5.246 4.550 -0.000 0.000 0.346 590 Y C 0.702 176.472 175.900 -0.217 0.000 0.997 590 Y CA -0.661 57.163 58.100 -0.459 0.000 1.025 590 Y CB 1.392 39.392 38.460 -0.766 0.000 1.263 590 Y HN 0.409 nan 8.280 nan 0.000 0.454 591 G N 0.669 109.409 108.800 -0.100 0.000 2.709 591 G HA2 0.394 4.354 3.960 -0.000 0.000 0.208 591 G HA3 0.394 4.354 3.960 -0.000 0.000 0.208 591 G C 0.427 175.421 174.900 0.156 0.000 1.129 591 G CA 0.200 45.422 45.100 0.204 0.000 0.793 591 G HN 0.947 nan 8.290 nan 0.000 0.524 592 A N 0.695 123.442 122.820 -0.122 0.000 2.346 592 A HA 0.487 4.807 4.320 -0.000 0.000 0.252 592 A C -0.086 177.380 177.584 -0.197 0.000 1.089 592 A CA -0.531 51.302 52.037 -0.340 0.000 0.797 592 A CB 0.084 18.908 19.000 -0.294 0.000 1.047 592 A HN 0.347 nan 8.150 nan 0.000 0.494 593 N N 1.941 120.359 118.700 -0.471 0.000 2.447 593 N HA 0.226 4.966 4.740 -0.000 0.000 0.263 593 N C -1.986 173.382 175.510 -0.236 0.000 1.226 593 N CA -0.788 51.968 53.050 -0.491 0.000 0.906 593 N CB 0.521 38.778 38.487 -0.383 0.000 1.060 593 N HN 0.424 nan 8.380 nan 0.000 0.468 594 P HA -0.013 nan 4.420 nan 0.000 0.245 594 P C 0.407 177.577 177.300 -0.217 0.000 1.206 594 P CA 0.658 63.605 63.100 -0.255 0.000 0.781 594 P CB 0.319 31.840 31.700 -0.298 0.000 0.994 595 T N 0.701 115.213 114.554 -0.069 0.000 2.821 595 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 595 T C 1.765 176.535 174.700 0.117 0.000 1.046 595 T CA 0.843 62.974 62.100 0.051 0.000 1.139 595 T CB -0.757 68.193 68.868 0.137 0.000 0.871 595 T HN 0.018 nan 8.240 nan 0.000 0.454 596 L N 1.168 122.474 121.223 0.139 0.000 2.046 596 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 596 L C 2.545 179.473 176.870 0.096 0.000 1.077 596 L CA 1.712 56.676 54.840 0.206 0.000 0.747 596 L CB -1.024 41.156 42.059 0.202 0.000 0.896 596 L HN 0.192 nan 8.230 nan 0.000 0.432 597 T N -0.468 114.011 114.554 -0.125 0.000 2.746 597 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 597 T C 1.900 176.506 174.700 -0.158 0.000 1.039 597 T CA 1.192 63.134 62.100 -0.263 0.000 1.142 597 T CB -0.482 67.829 68.868 -0.928 0.000 0.866 597 T HN 0.497 nan 8.240 nan 0.000 0.444 598 A N 1.524 124.257 122.820 -0.145 0.000 1.902 598 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 598 A C 2.313 179.853 177.584 -0.074 0.000 1.181 598 A CA 1.729 53.719 52.037 -0.078 0.000 0.623 598 A CB -0.743 18.231 19.000 -0.043 0.000 0.818 598 A HN 0.509 nan 8.150 nan 0.000 0.443 599 M N -0.195 119.367 119.600 -0.063 0.000 2.108 599 M HA -0.160 4.320 4.480 -0.000 0.000 0.261 599 M C 2.059 178.267 176.300 -0.153 0.000 1.066 599 M CA 2.151 57.387 55.300 -0.107 0.000 1.107 599 M CB -0.128 32.415 32.600 -0.095 0.000 1.356 599 M HN 0.373 nan 8.290 nan 0.000 0.406 600 S N 0.828 116.441 115.700 -0.145 0.000 2.383 600 S HA -0.055 4.415 4.470 -0.000 0.000 0.227 600 S C 1.719 176.142 174.600 -0.294 0.000 1.026 600 S CA 1.100 59.160 58.200 -0.234 0.000 0.981 600 S CB -0.390 62.622 63.200 -0.313 0.000 0.818 600 S HN 0.505 nan 8.310 nan 0.000 0.472 601 L N 1.041 122.126 121.223 -0.231 0.000 2.141 601 L HA -0.062 4.277 4.340 -0.000 0.000 0.209 601 L C 2.722 179.459 176.870 -0.221 0.000 1.094 601 L CA 1.019 55.721 54.840 -0.229 0.000 0.763 601 L CB -0.621 41.367 42.059 -0.119 0.000 0.908 601 L HN 0.315 nan 8.230 nan 0.000 0.437 602 A N 0.348 123.017 122.820 -0.251 0.000 1.930 602 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 602 A C 2.209 179.464 177.584 -0.548 0.000 1.175 602 A CA 1.241 52.990 52.037 -0.479 0.000 0.627 602 A CB -0.546 18.141 19.000 -0.523 0.000 0.815 602 A HN 0.320 nan 8.150 nan 0.000 0.443 603 I N -0.377 119.978 120.570 -0.359 0.000 2.163 603 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 603 I C 2.541 178.512 176.117 -0.243 0.000 1.085 603 I CA 1.990 63.126 61.300 -0.274 0.000 1.347 603 I CB -0.223 37.637 38.000 -0.234 0.000 1.044 603 I HN 0.368 nan 8.210 nan 0.000 0.408 604 K N 0.412 120.662 120.400 -0.250 0.000 2.063 604 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 604 K C 2.366 178.893 176.600 -0.121 0.000 1.048 604 K CA 1.829 57.998 56.287 -0.196 0.000 0.928 604 K CB -0.140 32.208 32.500 -0.254 0.000 0.713 604 K HN 0.131 nan 8.250 nan 0.000 0.442 605 S N -0.003 115.610 115.700 -0.145 0.000 2.359 605 S HA -0.177 4.293 4.470 -0.000 0.000 0.224 605 S C 2.055 176.597 174.600 -0.097 0.000 1.035 605 S CA 1.506 59.673 58.200 -0.054 0.000 1.018 605 S CB -0.478 62.738 63.200 0.026 0.000 0.876 605 S HN 0.574 nan 8.310 nan 0.000 0.448 606 C N 1.411 120.576 119.300 -0.225 0.000 2.422 606 C HA -0.014 4.446 4.460 -0.000 0.000 0.279 606 C C 2.498 177.431 174.990 -0.095 0.000 1.305 606 C CA 0.728 59.629 59.018 -0.195 0.000 1.757 606 C CB -1.488 26.097 27.740 -0.258 0.000 1.962 606 C HN 0.678 nan 8.230 nan 0.000 0.499 607 E N -0.615 119.548 120.200 -0.062 0.000 2.077 607 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 607 E C 1.852 178.475 176.600 0.038 0.000 0.989 607 E CA 1.476 57.867 56.400 -0.016 0.000 0.800 607 E CB -0.303 29.381 29.700 -0.026 0.000 0.746 607 E HN 0.832 nan 8.360 nan 0.000 0.452 608 Y N 1.141 121.421 120.300 -0.033 0.000 2.200 608 Y HA -0.186 4.364 4.550 -0.000 0.000 0.290 608 Y C 1.921 177.862 175.900 0.068 0.000 1.137 608 Y CA 1.356 59.476 58.100 0.034 0.000 1.163 608 Y CB -0.060 38.455 38.460 0.091 0.000 0.988 608 Y HN -0.057 nan 8.280 nan 0.000 0.518 609 I N 0.421 121.046 120.570 0.093 0.000 2.163 609 I HA -0.344 3.826 4.170 -0.000 0.000 0.243 609 I C 2.285 178.449 176.117 0.078 0.000 1.085 609 I CA 1.723 63.042 61.300 0.033 0.000 1.347 609 I CB -0.412 37.393 38.000 -0.325 0.000 1.044 609 I HN 0.147 nan 8.210 nan 0.000 0.408 610 K N 0.371 120.784 120.400 0.021 0.000 2.147 610 K HA -0.210 4.110 4.320 -0.000 0.000 0.205 610 K C 1.980 178.630 176.600 0.083 0.000 1.049 610 K CA 1.262 57.631 56.287 0.135 0.000 0.936 610 K CB -0.156 32.408 32.500 0.106 0.000 0.722 610 K HN 0.459 nan 8.250 nan 0.000 0.446 611 Q N -0.224 119.556 119.800 -0.035 0.000 2.432 611 Q HA 0.058 4.398 4.340 -0.000 0.000 0.205 611 Q C 0.940 176.829 176.000 -0.184 0.000 0.945 611 Q CA 0.492 56.234 55.803 -0.101 0.000 0.924 611 Q CB 0.412 29.066 28.738 -0.140 0.000 1.016 611 Q HN 0.297 nan 8.270 nan 0.000 0.503 612 N N -1.010 117.553 118.700 -0.228 0.000 2.166 612 N HA 0.147 4.887 4.740 -0.000 0.000 0.213 612 N C -0.947 174.197 175.510 -0.610 0.000 1.222 612 N CA 0.232 53.013 53.050 -0.447 0.000 0.900 612 N CB 1.057 39.126 38.487 -0.695 0.000 1.055 612 N HN 0.004 nan 8.380 nan 0.000 0.515 613 F N 0.698 120.665 119.950 0.028 0.000 2.561 613 F HA 0.326 4.853 4.527 -0.000 0.000 0.313 613 F C 0.014 175.943 175.800 0.216 0.000 1.126 613 F CA -0.665 57.408 58.000 0.122 0.000 0.918 613 F CB 1.861 40.935 39.000 0.123 0.000 1.199 613 F HN -0.360 nan 8.300 nan 0.000 0.444 614 T N 3.900 118.623 114.554 0.282 0.000 2.799 614 T HA 0.435 4.785 4.350 -0.000 0.000 0.286 614 T C -2.578 172.149 174.700 0.045 0.000 0.973 614 T CA -1.473 60.694 62.100 0.112 0.000 1.035 614 T CB 1.139 70.030 68.868 0.039 0.000 0.932 614 T HN 0.128 nan 8.240 nan 0.000 0.469 615 P HA 0.196 nan 4.420 nan 0.000 0.271 615 P C -0.004 177.207 177.300 -0.148 0.000 1.216 615 P CA -0.537 62.312 63.100 -0.419 0.000 0.776 615 P CB 0.348 31.608 31.700 -0.734 0.000 0.881 616 S N 3.122 118.777 115.700 -0.075 0.000 2.584 616 S HA 0.353 4.823 4.470 -0.000 0.000 0.270 616 S C -2.064 172.506 174.600 -0.049 0.000 1.346 616 S CA -0.929 57.245 58.200 -0.044 0.000 1.018 616 S CB -0.714 62.464 63.200 -0.037 0.000 0.899 616 S HN 0.342 nan 8.310 nan 0.000 0.542 617 P HA 0.274 nan 4.420 nan 0.000 0.279 617 P C -0.877 176.461 177.300 0.064 0.000 1.239 617 P CA -0.591 62.524 63.100 0.025 0.000 0.789 617 P CB 0.238 31.954 31.700 0.026 0.000 0.933 618 F N 2.288 122.220 119.950 -0.031 0.000 2.506 618 F HA 0.241 4.768 4.527 -0.000 0.000 0.371 618 F C 0.929 176.719 175.800 -0.017 0.000 1.078 618 F CA 0.533 58.521 58.000 -0.020 0.000 1.195 618 F CB 0.339 39.329 39.000 -0.017 0.000 1.099 618 F HN 0.225 nan 8.300 nan 0.000 0.548 619 T N 0.000 114.758 114.554 0.340 0.000 3.816 619 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 619 T CA 0.000 62.225 62.100 0.208 0.000 1.349 619 T CB 0.000 68.897 68.868 0.049 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658