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 3lsk_1_A DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWSCAT 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 LPGSLPQFME DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPF 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 0.000 176.252 176.300 -0.080 0.000 1.140 43 M CA 0.000 55.190 55.300 -0.183 0.000 0.988 43 M CB 0.000 32.334 32.600 -0.444 0.000 1.302 44 D N 2.316 122.708 120.400 -0.013 0.000 2.406 44 D HA 0.134 4.774 4.640 -0.000 0.000 0.234 44 D C 1.086 177.304 176.300 -0.136 0.000 1.196 44 D CA 0.320 54.203 54.000 -0.196 0.000 0.881 44 D CB 0.770 41.208 40.800 -0.604 0.000 1.205 44 D HN 0.585 nan 8.370 nan 0.000 0.453 45 I N -0.461 120.031 120.570 -0.129 0.000 3.603 45 I HA 0.073 4.243 4.170 -0.000 0.000 0.297 45 I C 0.692 176.786 176.117 -0.039 0.000 1.269 45 I CA 0.328 61.611 61.300 -0.028 0.000 1.361 45 I CB -0.365 37.645 38.000 0.015 0.000 1.063 45 I HN 0.117 nan 8.210 nan 0.000 0.448 46 K N 0.311 120.563 120.400 -0.248 0.000 2.482 46 K HA 0.578 4.898 4.320 -0.000 0.000 0.251 46 K C -1.677 174.650 176.600 -0.455 0.000 0.936 46 K CA -0.452 55.715 56.287 -0.200 0.000 0.791 46 K CB 1.356 33.789 32.500 -0.112 0.000 1.213 46 K HN -0.075 nan 8.250 nan 0.000 0.428 47 Y N 0.919 121.210 120.300 -0.016 0.000 2.665 47 Y HA 0.290 4.840 4.550 -0.000 0.000 0.336 47 Y C 0.552 176.431 175.900 -0.035 0.000 1.085 47 Y CA -0.727 57.359 58.100 -0.023 0.000 1.096 47 Y CB 1.786 40.230 38.460 -0.027 0.000 1.301 47 Y HN 0.625 nan 8.280 nan 0.000 0.493 48 D N -0.137 120.365 120.400 0.169 0.000 2.149 48 D HA 0.067 4.707 4.640 -0.000 0.000 0.206 48 D C -0.370 175.936 176.300 0.011 0.000 0.967 48 D CA 1.384 55.457 54.000 0.121 0.000 0.848 48 D CB 0.360 41.302 40.800 0.236 0.000 0.998 48 D HN 0.099 nan 8.370 nan 0.000 0.474 49 V N 1.009 120.926 119.914 0.003 0.000 2.709 49 V HA 0.411 4.531 4.120 -0.000 0.000 0.308 49 V C -0.410 175.590 176.094 -0.157 0.000 1.062 49 V CA -1.038 61.173 62.300 -0.148 0.000 0.901 49 V CB 2.594 34.318 31.823 -0.165 0.000 1.003 49 V HN -0.015 nan 8.190 nan 0.000 0.425 50 V N 2.519 122.304 119.914 -0.215 0.000 2.540 50 V HA 0.733 4.853 4.120 -0.000 0.000 0.302 50 V C -0.698 175.337 176.094 -0.098 0.000 1.035 50 V CA -0.624 61.598 62.300 -0.131 0.000 0.873 50 V CB 1.735 33.563 31.823 0.007 0.000 0.992 50 V HN 0.688 nan 8.190 nan 0.000 0.428 51 I N 4.204 124.727 120.570 -0.078 0.000 2.378 51 I HA 0.508 4.678 4.170 -0.000 0.000 0.291 51 I C -0.526 175.606 176.117 0.024 0.000 0.992 51 I CA -0.975 60.275 61.300 -0.083 0.000 1.154 51 I CB 2.170 40.107 38.000 -0.106 0.000 1.315 51 I HN 0.422 nan 8.210 nan 0.000 0.448 52 V N 5.349 125.271 119.914 0.013 0.000 2.350 52 V HA 0.765 4.885 4.120 -0.000 0.000 0.276 52 V C 0.401 176.505 176.094 0.017 0.000 1.028 52 V CA -0.235 62.099 62.300 0.056 0.000 0.860 52 V CB 0.772 32.602 31.823 0.012 0.000 0.990 52 V HN 1.061 nan 8.190 nan 0.000 0.453 53 G N 3.807 112.630 108.800 0.038 0.000 3.438 53 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.684 53 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.684 53 G C 0.003 174.917 174.900 0.024 0.000 1.192 53 G CA -0.191 44.924 45.100 0.024 0.000 1.013 53 G HN 1.239 nan 8.290 nan 0.000 0.530 54 S N 1.408 117.127 115.700 0.030 0.000 2.574 54 S HA 0.583 5.053 4.470 -0.000 0.000 0.242 54 S C 1.366 175.977 174.600 0.018 0.000 0.982 54 S CA 0.737 58.959 58.200 0.037 0.000 0.977 54 S CB 0.523 63.757 63.200 0.056 0.000 0.814 54 S HN 1.927 nan 8.310 nan 0.000 0.464 55 G N 2.660 111.460 108.800 0.000 0.000 2.683 55 G HA2 0.364 4.324 3.960 -0.000 0.000 0.260 55 G HA3 0.364 4.324 3.960 -0.000 0.000 0.260 55 G C -1.101 173.774 174.900 -0.043 0.000 1.238 55 G CA -1.170 43.910 45.100 -0.034 0.000 0.934 55 G HN 0.238 nan 8.290 nan 0.000 0.534 56 P HA -0.136 nan 4.420 nan 0.000 0.216 56 P C 1.877 179.117 177.300 -0.100 0.000 1.153 56 P CA 1.072 64.121 63.100 -0.086 0.000 0.858 56 P CB 0.108 31.781 31.700 -0.046 0.000 0.789 57 I N -0.336 120.206 120.570 -0.048 0.000 2.286 57 I HA -0.077 4.093 4.170 -0.000 0.000 0.245 57 I C 2.676 178.834 176.117 0.068 0.000 1.104 57 I CA 1.766 63.063 61.300 -0.004 0.000 1.397 57 I CB -2.256 35.774 38.000 0.049 0.000 1.072 57 I HN 0.013 nan 8.210 nan 0.000 0.417 58 G N 0.417 109.247 108.800 0.051 0.000 2.418 58 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.217 58 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.217 58 G C 1.791 176.678 174.900 -0.022 0.000 1.158 58 G CA 0.974 46.102 45.100 0.046 0.000 0.771 58 G HN 0.404 nan 8.290 nan 0.000 0.545 59 C N 0.842 120.101 119.300 -0.068 0.000 2.410 59 C HA -0.022 4.438 4.460 -0.000 0.000 0.281 59 C C 3.191 178.024 174.990 -0.261 0.000 1.318 59 C CA 1.451 60.377 59.018 -0.153 0.000 1.776 59 C CB -1.108 26.600 27.740 -0.054 0.000 1.942 59 C HN 0.465 nan 8.230 nan 0.000 0.508 60 T N 0.081 114.509 114.554 -0.211 0.000 2.674 60 T HA -0.176 4.174 4.350 -0.000 0.000 0.265 60 T C 1.470 175.985 174.700 -0.309 0.000 1.039 60 T CA 1.700 63.638 62.100 -0.271 0.000 1.150 60 T CB -0.496 68.235 68.868 -0.229 0.000 0.864 60 T HN 0.543 nan 8.240 nan 0.000 0.427 61 Y N 1.681 121.832 120.300 -0.249 0.000 2.151 61 Y HA -0.140 4.410 4.550 -0.000 0.000 0.284 61 Y C 2.795 178.472 175.900 -0.372 0.000 1.166 61 Y CA 1.029 58.963 58.100 -0.275 0.000 1.163 61 Y CB -0.827 37.491 38.460 -0.237 0.000 0.974 61 Y HN 0.212 nan 8.280 nan 0.000 0.511 62 A N 0.188 122.813 122.820 -0.325 0.000 1.858 62 A HA -0.252 4.068 4.320 -0.000 0.000 0.216 62 A C 2.314 179.334 177.584 -0.940 0.000 1.190 62 A CA 1.960 53.566 52.037 -0.718 0.000 0.617 62 A CB -0.811 17.498 19.000 -1.153 0.000 0.827 62 A HN 0.452 nan 8.150 nan 0.000 0.443 63 R N -0.405 119.567 120.500 -0.880 0.000 2.091 63 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 63 R C 1.987 178.080 176.300 -0.344 0.000 1.136 63 R CA 1.727 57.492 56.100 -0.557 0.000 0.959 63 R CB -0.282 29.726 30.300 -0.487 0.000 0.856 63 R HN 0.571 nan 8.270 nan 0.000 0.437 64 E N 0.593 120.606 120.200 -0.311 0.000 2.051 64 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 64 E C 2.137 178.664 176.600 -0.122 0.000 0.991 64 E CA 1.379 57.672 56.400 -0.178 0.000 0.799 64 E CB -0.123 29.468 29.700 -0.183 0.000 0.748 64 E HN 0.441 nan 8.360 nan 0.000 0.449 65 L N 0.350 121.476 121.223 -0.160 0.000 2.249 65 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 65 L C 2.527 179.448 176.870 0.084 0.000 1.090 65 L CA 0.234 55.034 54.840 -0.066 0.000 0.802 65 L CB -0.262 41.663 42.059 -0.224 0.000 0.947 65 L HN -0.066 nan 8.230 nan 0.000 0.453 66 V N 0.623 120.508 119.914 -0.048 0.000 2.407 66 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 66 V C 2.616 178.757 176.094 0.079 0.000 1.055 66 V CA 1.996 64.324 62.300 0.047 0.000 1.049 66 V CB -1.216 30.608 31.823 0.001 0.000 0.662 66 V HN 0.559 nan 8.190 nan 0.000 0.455 67 G N -0.452 108.365 108.800 0.028 0.000 2.422 67 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.218 67 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.218 67 G C 1.446 176.379 174.900 0.055 0.000 1.140 67 G CA 0.792 45.913 45.100 0.035 0.000 0.775 67 G HN 0.629 nan 8.290 nan 0.000 0.545 68 A N -0.530 122.353 122.820 0.105 0.000 2.275 68 A HA 0.503 4.823 4.320 -0.000 0.000 0.212 68 A C 1.854 179.477 177.584 0.064 0.000 1.201 68 A CA 1.160 53.275 52.037 0.129 0.000 0.843 68 A CB -0.328 18.820 19.000 0.246 0.000 0.873 68 A HN 1.513 nan 8.150 nan 0.000 0.492 69 G N -2.092 106.749 108.800 0.069 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 -0.039 174.817 174.900 -0.073 0.000 0.986 69 G CA 0.014 45.106 45.100 -0.013 0.000 0.651 69 G HN 0.392 nan 8.290 nan 0.000 0.523 70 Y N 0.797 121.127 120.300 0.049 0.000 2.497 70 Y HA 0.348 4.898 4.550 -0.000 0.000 0.334 70 Y C 1.184 177.131 175.900 0.079 0.000 1.199 70 Y CA 0.391 58.521 58.100 0.050 0.000 1.425 70 Y CB 0.680 39.148 38.460 0.012 0.000 1.291 70 Y HN 0.103 nan 8.280 nan 0.000 0.562 71 K N 3.400 123.921 120.400 0.202 0.000 2.292 71 K HA 0.387 4.707 4.320 -0.000 0.000 0.290 71 K C -1.467 175.273 176.600 0.233 0.000 1.083 71 K CA -0.123 56.281 56.287 0.195 0.000 0.918 71 K CB 0.022 32.602 32.500 0.134 0.000 1.089 71 K HN 0.501 nan 8.250 nan 0.000 0.473 72 V N 3.034 123.062 119.914 0.190 0.000 2.628 72 V HA 0.652 4.772 4.120 -0.000 0.000 0.306 72 V C -0.451 175.531 176.094 -0.187 0.000 1.045 72 V CA -0.859 61.478 62.300 0.063 0.000 0.905 72 V CB 1.591 33.500 31.823 0.144 0.000 0.997 72 V HN 0.890 nan 8.190 nan 0.000 0.436 73 A N 5.395 127.933 122.820 -0.470 0.000 2.401 73 A HA 0.955 5.275 4.320 -0.000 0.000 0.310 73 A C -0.802 176.385 177.584 -0.662 0.000 1.075 73 A CA -0.630 50.895 52.037 -0.854 0.000 0.746 73 A CB 1.854 19.967 19.000 -1.478 0.000 1.277 73 A HN 0.873 nan 8.150 nan 0.000 0.425 74 M N 1.832 120.955 119.600 -0.794 0.000 2.457 74 M HA 0.767 5.247 4.480 -0.000 0.000 0.300 74 M C -2.216 173.741 176.300 -0.572 0.000 1.141 74 M CA -0.464 54.558 55.300 -0.464 0.000 0.901 74 M CB 1.450 33.969 32.600 -0.135 0.000 1.687 74 M HN 0.622 nan 8.290 nan 0.000 0.449 75 F N 1.924 121.850 119.950 -0.040 0.000 2.540 75 F HA 0.550 5.077 4.527 -0.000 0.000 0.317 75 F C -0.340 175.447 175.800 -0.022 0.000 1.104 75 F CA -0.616 57.382 58.000 -0.004 0.000 0.913 75 F CB 1.671 40.657 39.000 -0.024 0.000 1.170 75 F HN 0.438 nan 8.300 nan 0.000 0.450 76 D N 2.711 123.206 120.400 0.158 0.000 2.879 76 D HA 0.266 4.906 4.640 -0.000 0.000 0.236 76 D C 0.541 176.865 176.300 0.039 0.000 1.171 76 D CA -0.334 53.710 54.000 0.074 0.000 0.868 76 D CB 2.578 43.404 40.800 0.044 0.000 1.598 76 D HN 0.650 nan 8.370 nan 0.000 0.497 77 I N 1.835 122.383 120.570 -0.036 0.000 2.493 77 I HA 0.008 4.178 4.170 -0.000 0.000 0.254 77 I C 1.127 177.205 176.117 -0.064 0.000 1.160 77 I CA 0.823 62.054 61.300 -0.114 0.000 1.445 77 I CB 0.191 38.009 38.000 -0.303 0.000 1.086 77 I HN 0.333 nan 8.210 nan 0.000 0.433 78 G N -0.240 108.548 108.800 -0.020 0.000 2.642 78 G HA2 0.432 4.392 3.960 -0.000 0.000 0.291 78 G HA3 0.432 4.392 3.960 -0.000 0.000 0.291 78 G C -1.012 173.908 174.900 0.035 0.000 1.345 78 G CA -0.424 44.688 45.100 0.020 0.000 1.043 78 G HN 0.255 nan 8.290 nan 0.000 0.528 79 E N -1.196 119.030 120.200 0.043 0.000 2.277 79 E HA 0.347 4.696 4.350 -0.000 0.000 0.266 79 E C -0.495 176.130 176.600 0.042 0.000 0.901 79 E CA -0.705 55.720 56.400 0.042 0.000 0.782 79 E CB 2.651 32.378 29.700 0.046 0.000 1.228 79 E HN 0.287 nan 8.360 nan 0.000 0.424 80 I N 3.484 124.076 120.570 0.037 0.000 2.664 80 I HA -0.086 4.084 4.170 -0.000 0.000 0.284 80 I C 0.373 176.518 176.117 0.046 0.000 1.154 80 I CA 0.517 61.840 61.300 0.039 0.000 1.402 80 I CB -0.168 37.849 38.000 0.029 0.000 1.395 80 I HN 0.605 nan 8.210 nan 0.000 0.545 81 D N 2.263 122.697 120.400 0.056 0.000 3.074 81 D HA -0.021 4.619 4.640 -0.000 0.000 0.227 81 D C 1.221 177.568 176.300 0.079 0.000 1.553 81 D CA 0.020 54.059 54.000 0.065 0.000 1.347 81 D CB -0.435 40.405 40.800 0.066 0.000 1.021 81 D HN 0.295 nan 8.370 nan 0.000 0.260 82 S N 0.228 115.987 115.700 0.099 0.000 2.576 82 S HA -0.041 4.429 4.470 -0.000 0.000 0.375 82 S C 1.085 175.756 174.600 0.118 0.000 1.222 82 S CA 1.894 60.167 58.200 0.122 0.000 1.056 82 S CB -1.435 61.830 63.200 0.109 0.000 0.932 82 S HN 1.109 nan 8.310 nan 0.000 0.701 83 G N -0.969 107.888 108.800 0.094 0.000 2.631 83 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.504 83 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.504 83 G C 0.099 175.034 174.900 0.058 0.000 1.306 83 G CA -0.228 44.921 45.100 0.081 0.000 0.897 83 G HN 0.349 nan 8.290 nan 0.000 0.520 84 L N -0.050 121.201 121.223 0.046 0.000 2.492 84 L HA 0.143 4.483 4.340 -0.000 0.000 0.223 84 L C 1.462 178.345 176.870 0.021 0.000 1.132 84 L CA 0.687 55.544 54.840 0.027 0.000 0.850 84 L CB -0.237 41.833 42.059 0.018 0.000 0.966 84 L HN 0.356 nan 8.230 nan 0.000 0.454 85 K N 1.810 122.232 120.400 0.036 0.000 2.262 85 K HA 0.287 4.607 4.320 -0.000 0.000 0.288 85 K C -0.216 176.407 176.600 0.039 0.000 1.090 85 K CA -0.167 56.139 56.287 0.032 0.000 0.918 85 K CB 0.632 33.165 32.500 0.055 0.000 1.139 85 K HN 0.106 nan 8.250 nan 0.000 0.462 86 I N 2.139 122.718 120.570 0.015 0.000 2.598 86 I HA -0.059 4.111 4.170 -0.000 0.000 0.284 86 I C 1.361 177.500 176.117 0.036 0.000 1.140 86 I CA 0.648 61.962 61.300 0.023 0.000 1.420 86 I CB 0.337 38.341 38.000 0.007 0.000 1.387 86 I HN 0.958 nan 8.210 nan 0.000 0.553 87 G N 4.267 113.099 108.800 0.053 0.000 2.148 87 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.254 87 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.254 87 G C 0.353 175.301 174.900 0.081 0.000 0.981 87 G CA 0.056 45.190 45.100 0.057 0.000 0.670 87 G HN 0.963 nan 8.290 nan 0.000 0.528 88 A N -0.277 122.606 122.820 0.105 0.000 2.296 88 A HA 0.594 4.914 4.320 -0.000 0.000 0.264 88 A C 0.626 178.331 177.584 0.201 0.000 1.097 88 A CA -0.220 51.914 52.037 0.162 0.000 0.811 88 A CB 0.215 19.312 19.000 0.162 0.000 1.072 88 A HN 0.630 nan 8.150 nan 0.000 0.495 89 H N 0.374 119.574 119.070 0.217 0.000 2.929 89 H HA 0.074 4.630 4.556 -0.000 0.000 0.317 89 H C 0.711 176.171 175.328 0.219 0.000 1.031 89 H CA 0.834 57.026 56.048 0.240 0.000 1.466 89 H CB 0.740 30.662 29.762 0.267 0.000 1.482 89 H HN 0.675 nan 8.280 nan 0.000 0.561 90 K N 3.505 124.092 120.400 0.311 0.000 2.365 90 K HA -0.097 4.223 4.320 -0.000 0.000 0.199 90 K C 1.770 178.638 176.600 0.446 0.000 1.045 90 K CA 0.618 57.163 56.287 0.429 0.000 0.962 90 K CB 0.319 33.088 32.500 0.450 0.000 0.759 90 K HN 0.405 nan 8.250 nan 0.000 0.469 91 K N 0.860 121.389 120.400 0.214 0.000 2.439 91 K HA -0.017 4.303 4.320 -0.000 0.000 0.197 91 K C 0.202 176.843 176.600 0.068 0.000 1.041 91 K CA 0.574 56.652 56.287 -0.349 0.000 0.970 91 K CB 0.224 32.174 32.500 -0.916 0.000 0.773 91 K HN 0.008 nan 8.250 nan 0.000 0.479 92 N N 1.702 120.548 118.700 0.244 0.000 2.843 92 N HA -0.018 4.722 4.740 -0.000 0.000 0.284 92 N C -0.928 174.846 175.510 0.439 0.000 1.274 92 N CA 0.290 53.526 53.050 0.310 0.000 1.045 92 N CB 0.547 39.230 38.487 0.326 0.000 1.370 92 N HN 0.227 nan 8.380 nan 0.000 0.525 93 T N -4.304 110.493 114.554 0.406 0.000 2.885 93 T HA 0.335 4.685 4.350 -0.000 0.000 0.285 93 T C 1.470 176.386 174.700 0.361 0.000 1.019 93 T CA -0.789 61.510 62.100 0.332 0.000 1.010 93 T CB 1.634 70.631 68.868 0.214 0.000 1.022 93 T HN -0.171 nan 8.240 nan 0.000 0.466 94 V N 1.694 121.747 119.914 0.233 0.000 2.282 94 V HA -0.165 3.955 4.120 -0.000 0.000 0.249 94 V C 2.789 178.956 176.094 0.121 0.000 1.057 94 V CA 2.562 64.966 62.300 0.174 0.000 1.032 94 V CB -0.941 30.898 31.823 0.026 0.000 0.645 94 V HN 1.059 nan 8.190 nan 0.000 0.447 95 E N -0.833 119.380 120.200 0.022 0.000 2.152 95 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 95 E C 2.006 178.566 176.600 -0.066 0.000 0.983 95 E CA 1.306 57.665 56.400 -0.068 0.000 0.818 95 E CB -0.290 29.295 29.700 -0.192 0.000 0.758 95 E HN 0.652 nan 8.360 nan 0.000 0.467 96 Y N 0.787 121.164 120.300 0.128 0.000 2.200 96 Y HA -0.030 4.520 4.550 -0.000 0.000 0.290 96 Y C 2.100 178.043 175.900 0.072 0.000 1.137 96 Y CA 1.347 59.515 58.100 0.113 0.000 1.163 96 Y CB -0.339 38.192 38.460 0.117 0.000 0.988 96 Y HN 0.170 nan 8.280 nan 0.000 0.518 97 Q N -0.286 119.651 119.800 0.228 0.000 2.472 97 Q HA -0.080 4.260 4.340 -0.000 0.000 0.208 97 Q C 1.338 177.419 176.000 0.134 0.000 0.958 97 Q CA 0.634 56.527 55.803 0.149 0.000 0.932 97 Q CB 0.051 28.850 28.738 0.103 0.000 1.007 97 Q HN 0.422 nan 8.270 nan 0.000 0.508 98 K N 0.047 120.523 120.400 0.126 0.000 2.374 98 K HA 0.115 4.435 4.320 -0.000 0.000 0.196 98 K C 0.050 176.700 176.600 0.084 0.000 1.023 98 K CA 0.165 56.505 56.287 0.088 0.000 1.103 98 K CB 0.631 33.167 32.500 0.062 0.000 0.848 98 K HN 0.054 nan 8.250 nan 0.000 0.528 99 N N 0.989 119.763 118.700 0.124 0.000 2.651 99 N HA 0.041 4.781 4.740 -0.000 0.000 0.277 99 N C -0.110 175.522 175.510 0.203 0.000 1.787 99 N CA 0.071 53.203 53.050 0.137 0.000 0.818 99 N CB 0.967 39.528 38.487 0.123 0.000 1.316 99 N HN 0.003 nan 8.380 nan 0.000 0.503 100 I N 0.736 121.393 120.570 0.145 0.000 2.676 100 I HA -0.063 4.107 4.170 -0.000 0.000 0.259 100 I C 1.227 177.415 176.117 0.119 0.000 1.194 100 I CA 1.367 62.746 61.300 0.130 0.000 1.473 100 I CB 0.209 38.242 38.000 0.055 0.000 1.096 100 I HN 0.041 nan 8.210 nan 0.000 0.443 101 D N 0.672 121.132 120.400 0.100 0.000 2.219 101 D HA -0.132 4.508 4.640 -0.000 0.000 0.205 101 D C 1.918 178.273 176.300 0.091 0.000 0.970 101 D CA 0.704 54.749 54.000 0.076 0.000 0.851 101 D CB -0.121 40.715 40.800 0.059 0.000 0.943 101 D HN 0.213 nan 8.370 nan 0.000 0.488 102 K N -0.063 120.430 120.400 0.155 0.000 2.362 102 K HA -0.081 4.239 4.320 -0.000 0.000 0.200 102 K C 1.695 178.359 176.600 0.107 0.000 1.046 102 K CA 0.136 56.530 56.287 0.179 0.000 0.952 102 K CB -0.482 32.203 32.500 0.308 0.000 0.753 102 K HN 0.252 nan 8.250 nan 0.000 0.466 103 F N 1.241 121.109 119.950 -0.135 0.000 2.407 103 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 103 F C 1.845 177.499 175.800 -0.242 0.000 1.097 103 F CA 0.373 58.148 58.000 -0.375 0.000 1.422 103 F CB -0.011 38.736 39.000 -0.422 0.000 1.067 103 F HN -0.294 nan 8.300 nan 0.000 0.539 104 V N 0.740 120.578 119.914 -0.126 0.000 2.324 104 V HA -0.397 3.723 4.120 -0.000 0.000 0.250 104 V C 1.832 177.782 176.094 -0.239 0.000 1.060 104 V CA 2.531 64.726 62.300 -0.174 0.000 1.042 104 V CB -0.984 30.791 31.823 -0.080 0.000 0.650 104 V HN 0.395 nan 8.190 nan 0.000 0.450 105 N N -0.132 118.456 118.700 -0.186 0.000 2.166 105 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 105 N C 1.647 177.002 175.510 -0.258 0.000 1.019 105 N CA 1.301 54.255 53.050 -0.160 0.000 0.856 105 N CB -0.337 38.109 38.487 -0.068 0.000 0.993 105 N HN 0.334 nan 8.380 nan 0.000 0.426 106 V N 1.299 120.951 119.914 -0.437 0.000 2.332 106 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 106 V C 2.021 177.789 176.094 -0.543 0.000 1.055 106 V CA 1.470 63.444 62.300 -0.543 0.000 1.038 106 V CB -0.519 30.706 31.823 -0.995 0.000 0.651 106 V HN 0.329 nan 8.190 nan 0.000 0.450 107 I N -0.555 119.625 120.570 -0.651 0.000 2.202 107 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 107 I C 2.684 178.576 176.117 -0.374 0.000 1.091 107 I CA 1.457 62.401 61.300 -0.593 0.000 1.368 107 I CB -0.391 37.281 38.000 -0.547 0.000 1.058 107 I HN 0.329 nan 8.210 nan 0.000 0.410 108 Q N 0.458 120.101 119.800 -0.261 0.000 2.135 108 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 108 Q C 2.212 178.140 176.000 -0.120 0.000 0.981 108 Q CA 1.583 57.297 55.803 -0.149 0.000 0.856 108 Q CB -0.400 28.275 28.738 -0.104 0.000 0.902 108 Q HN 0.638 nan 8.270 nan 0.000 0.425 109 G N 0.816 109.532 108.800 -0.140 0.000 2.598 109 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.215 109 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.215 109 G C 0.855 175.716 174.900 -0.065 0.000 1.131 109 G CA 0.480 45.527 45.100 -0.087 0.000 0.785 109 G HN 0.465 nan 8.290 nan 0.000 0.539 110 Q N -0.615 119.128 119.800 -0.095 0.000 2.089 110 Q HA 0.425 4.764 4.340 -0.000 0.000 0.248 110 Q C -0.463 175.534 176.000 -0.005 0.000 0.828 110 Q CA -0.290 55.496 55.803 -0.028 0.000 1.102 110 Q CB 0.120 28.861 28.738 0.006 0.000 1.221 110 Q HN 0.222 nan 8.270 nan 0.000 0.455 111 L N 1.955 123.157 121.223 -0.034 0.000 2.301 111 L HA 0.526 4.866 4.340 -0.000 0.000 0.278 111 L C -0.944 175.944 176.870 0.031 0.000 1.022 111 L CA -0.787 54.057 54.840 0.006 0.000 0.854 111 L CB 1.219 43.258 42.059 -0.032 0.000 1.226 111 L HN 0.223 nan 8.230 nan 0.000 0.429 112 M N 2.145 121.785 119.600 0.067 0.000 2.088 112 M HA 0.254 4.734 4.480 -0.000 0.000 0.346 112 M C 0.277 176.625 176.300 0.079 0.000 1.111 112 M CA -0.043 55.303 55.300 0.076 0.000 1.017 112 M CB 1.462 34.129 32.600 0.111 0.000 1.568 112 M HN 0.302 nan 8.290 nan 0.000 0.445 113 S N 1.988 117.723 115.700 0.058 0.000 2.563 113 S HA 0.045 4.515 4.470 -0.000 0.000 0.294 113 S C 1.555 176.200 174.600 0.075 0.000 1.279 113 S CA -0.487 57.748 58.200 0.057 0.000 1.069 113 S CB 0.410 63.631 63.200 0.036 0.000 0.828 113 S HN 0.584 nan 8.310 nan 0.000 0.497 114 V N 2.783 122.753 119.914 0.094 0.000 2.270 114 V HA -0.023 4.097 4.120 -0.000 0.000 0.245 114 V C 1.257 177.376 176.094 0.040 0.000 1.043 114 V CA 1.505 63.858 62.300 0.088 0.000 1.014 114 V CB -0.083 31.832 31.823 0.154 0.000 0.645 114 V HN 0.785 nan 8.190 nan 0.000 0.447 115 S N -0.582 115.165 115.700 0.079 0.000 2.776 115 S HA 0.532 5.002 4.470 -0.000 0.000 0.284 115 S C -1.087 173.529 174.600 0.027 0.000 1.160 115 S CA -0.458 57.748 58.200 0.010 0.000 1.051 115 S CB 1.474 64.650 63.200 -0.042 0.000 1.037 115 S HN 0.020 nan 8.310 nan 0.000 0.485 116 V N 8.038 127.952 119.914 -0.000 0.000 2.347 116 V HA 0.540 4.660 4.120 -0.000 0.000 0.280 116 V C -1.949 174.134 176.094 -0.018 0.000 1.021 116 V CA -1.749 60.547 62.300 -0.005 0.000 0.847 116 V CB 1.442 33.262 31.823 -0.005 0.000 0.990 116 V HN 0.701 nan 8.190 nan 0.000 0.444 117 P HA 0.216 nan 4.420 nan 0.000 0.276 117 P C -0.180 177.102 177.300 -0.029 0.000 1.261 117 P CA -0.238 62.848 63.100 -0.024 0.000 0.800 117 P CB 0.985 32.670 31.700 -0.024 0.000 1.066 118 V N 2.203 122.104 119.914 -0.021 0.000 2.599 118 V HA -0.039 4.081 4.120 -0.000 0.000 0.300 118 V C 1.287 177.349 176.094 -0.053 0.000 1.034 118 V CA 0.209 62.496 62.300 -0.021 0.000 1.115 118 V CB -0.647 31.186 31.823 0.018 0.000 0.934 118 V HN 0.614 nan 8.190 nan 0.000 0.485 119 N N 3.425 122.092 118.700 -0.056 0.000 2.497 119 N HA 0.088 4.828 4.740 -0.000 0.000 0.271 119 N C 0.593 176.003 175.510 -0.167 0.000 1.142 119 N CA 0.423 53.423 53.050 -0.083 0.000 0.965 119 N CB 1.494 39.953 38.487 -0.047 0.000 1.077 119 N HN 0.871 nan 8.380 nan 0.000 0.462 120 T N 0.829 115.165 114.554 -0.363 0.000 3.252 120 T HA 0.268 4.618 4.350 -0.000 0.000 0.286 120 T C 0.851 175.178 174.700 -0.620 0.000 1.013 120 T CA -0.439 61.080 62.100 -0.968 0.000 0.914 120 T CB -0.333 67.957 68.868 -0.963 0.000 1.131 120 T HN 0.273 nan 8.240 nan 0.000 0.529 121 L N 1.961 123.061 121.223 -0.204 0.000 2.456 121 L HA 0.331 4.671 4.340 -0.000 0.000 0.272 121 L C 0.110 177.055 176.870 0.125 0.000 1.189 121 L CA -0.662 54.152 54.840 -0.042 0.000 0.846 121 L CB 0.826 42.882 42.059 -0.005 0.000 1.111 121 L HN 0.082 nan 8.230 nan 0.000 0.475 122 V N 4.570 124.558 119.914 0.123 0.000 2.385 122 V HA 0.131 4.251 4.120 -0.000 0.000 0.269 122 V C 0.216 176.377 176.094 0.111 0.000 1.043 122 V CA -0.422 61.987 62.300 0.182 0.000 0.906 122 V CB 1.414 33.321 31.823 0.139 0.000 0.995 122 V HN 0.404 nan 8.190 nan 0.000 0.467 123 V N 5.723 125.702 119.914 0.108 0.000 2.259 123 V HA 0.277 4.397 4.120 -0.000 0.000 0.267 123 V C 0.386 176.509 176.094 0.049 0.000 1.051 123 V CA -0.373 61.969 62.300 0.070 0.000 0.830 123 V CB 1.116 32.982 31.823 0.072 0.000 1.080 123 V HN 1.069 nan 8.190 nan 0.000 0.467 124 D N 1.924 122.347 120.400 0.038 0.000 2.462 124 D HA -0.006 4.634 4.640 -0.000 0.000 0.221 124 D C 1.195 177.504 176.300 0.015 0.000 1.173 124 D CA 0.262 54.275 54.000 0.021 0.000 0.831 124 D CB 0.381 41.194 40.800 0.021 0.000 1.001 124 D HN 0.535 nan 8.370 nan 0.000 0.499 125 T N -1.727 112.840 114.554 0.021 0.000 3.215 125 T HA 0.329 4.679 4.350 -0.000 0.000 0.271 125 T C 0.733 175.445 174.700 0.020 0.000 1.012 125 T CA -0.585 61.525 62.100 0.018 0.000 0.899 125 T CB -0.338 68.541 68.868 0.019 0.000 1.089 125 T HN 0.010 nan 8.240 nan 0.000 0.552 126 L N 1.847 123.083 121.223 0.022 0.000 2.483 126 L HA 0.271 4.611 4.340 -0.000 0.000 0.275 126 L C 1.158 178.038 176.870 0.018 0.000 1.220 126 L CA -0.493 54.363 54.840 0.026 0.000 0.833 126 L CB 0.291 42.368 42.059 0.031 0.000 1.102 126 L HN 0.240 nan 8.230 nan 0.000 0.490 127 S N 1.703 117.417 115.700 0.024 0.000 2.560 127 S HA 0.097 4.567 4.470 -0.000 0.000 0.284 127 S C -1.471 173.135 174.600 0.010 0.000 1.327 127 S CA -1.057 57.153 58.200 0.018 0.000 1.055 127 S CB 0.776 63.990 63.200 0.024 0.000 0.868 127 S HN 0.387 nan 8.310 nan 0.000 0.506 128 P HA -0.044 nan 4.420 nan 0.000 0.225 128 P C 1.250 178.547 177.300 -0.005 0.000 1.148 128 P CA 1.033 64.127 63.100 -0.011 0.000 0.779 128 P CB -0.168 31.525 31.700 -0.011 0.000 0.780 129 T N -5.774 108.787 114.554 0.010 0.000 3.067 129 T HA 0.104 4.454 4.350 -0.000 0.000 0.261 129 T C 1.039 175.766 174.700 0.044 0.000 1.110 129 T CA 0.090 62.203 62.100 0.023 0.000 1.113 129 T CB -0.498 68.386 68.868 0.027 0.000 0.917 129 T HN -0.112 nan 8.240 nan 0.000 0.499 130 S N 1.098 116.827 115.700 0.049 0.000 2.584 130 S HA 0.347 4.817 4.470 -0.000 0.000 0.273 130 S C -0.631 174.042 174.600 0.120 0.000 1.311 130 S CA -1.005 57.253 58.200 0.097 0.000 1.034 130 S CB 0.247 63.501 63.200 0.090 0.000 0.939 130 S HN 0.597 nan 8.310 nan 0.000 0.513 131 W N 3.068 124.376 121.300 0.014 0.000 2.264 131 W HA 0.189 4.849 4.660 -0.000 0.000 0.331 131 W C 0.253 176.786 176.519 0.023 0.000 1.364 131 W CA 0.336 57.689 57.345 0.012 0.000 1.253 131 W CB 0.208 29.676 29.460 0.014 0.000 1.215 131 W HN 0.508 nan 8.180 nan 0.000 0.561 132 Q N 4.826 124.257 119.800 -0.614 0.000 2.356 132 Q HA 0.608 4.948 4.340 -0.000 0.000 0.270 132 Q C -0.710 174.801 176.000 -0.815 0.000 1.058 132 Q CA -0.893 54.641 55.803 -0.448 0.000 0.802 132 Q CB 1.861 30.435 28.738 -0.273 0.000 1.303 132 Q HN 0.606 nan 8.270 nan 0.000 0.444 133 A N 1.995 124.581 122.820 -0.390 0.000 2.407 133 A HA 0.283 4.603 4.320 -0.000 0.000 0.248 133 A C 0.457 177.872 177.584 -0.282 0.000 1.082 133 A CA -0.056 51.822 52.037 -0.265 0.000 0.785 133 A CB 0.750 19.873 19.000 0.204 0.000 1.020 133 A HN 0.862 nan 8.150 nan 0.000 0.489 134 S N -0.637 114.924 115.700 -0.232 0.000 2.503 134 S HA 0.135 4.605 4.470 -0.000 0.000 0.215 134 S C 0.847 175.347 174.600 -0.167 0.000 1.003 134 S CA 0.845 58.933 58.200 -0.186 0.000 0.910 134 S CB -0.066 63.043 63.200 -0.151 0.000 0.790 134 S HN 1.143 nan 8.310 nan 0.000 0.514 135 T N -1.522 112.961 114.554 -0.117 0.000 2.812 135 T HA 0.619 4.969 4.350 -0.000 0.000 0.294 135 T C -1.103 173.511 174.700 -0.144 0.000 1.159 135 T CA -0.736 61.283 62.100 -0.135 0.000 1.008 135 T CB 0.594 69.486 68.868 0.041 0.000 1.289 135 T HN -0.102 nan 8.240 nan 0.000 0.514 136 F N 2.983 123.019 119.950 0.144 0.000 2.605 136 F HA 0.403 4.930 4.527 -0.000 0.000 0.352 136 F C 0.392 176.257 175.800 0.109 0.000 1.236 136 F CA -1.738 56.311 58.000 0.082 0.000 1.267 136 F CB -0.930 38.088 39.000 0.030 0.000 1.632 136 F HN 0.557 nan 8.300 nan 0.000 0.639 137 F N -0.731 119.306 119.950 0.145 0.000 2.375 137 F HA 0.611 5.138 4.527 -0.000 0.000 0.313 137 F C -0.118 175.753 175.800 0.119 0.000 1.176 137 F CA -1.573 56.498 58.000 0.119 0.000 1.142 137 F CB -0.032 39.031 39.000 0.105 0.000 1.275 137 F HN -0.186 nan 8.300 nan 0.000 0.544 138 V N 3.207 123.247 119.914 0.209 0.000 2.397 138 V HA 0.262 4.382 4.120 -0.000 0.000 0.262 138 V C 0.099 176.161 176.094 -0.054 0.000 1.047 138 V CA -0.095 62.235 62.300 0.049 0.000 1.003 138 V CB -0.679 31.212 31.823 0.112 0.000 1.037 138 V HN 0.691 nan 8.190 nan 0.000 0.480 139 R N 3.892 124.259 120.500 -0.221 0.000 2.828 139 R HA 0.494 4.834 4.340 -0.000 0.000 0.264 139 R C 0.596 176.851 176.300 -0.074 0.000 1.022 139 R CA -0.913 55.074 56.100 -0.187 0.000 1.021 139 R CB 0.580 30.683 30.300 -0.328 0.000 1.163 139 R HN 0.640 nan 8.270 nan 0.000 0.494 140 N N 0.534 119.212 118.700 -0.038 0.000 2.701 140 N HA -0.224 4.516 4.740 -0.000 0.000 0.250 140 N C 0.461 175.964 175.510 -0.012 0.000 1.046 140 N CA 1.612 54.650 53.050 -0.020 0.000 0.733 140 N CB -1.066 37.405 38.487 -0.026 0.000 0.973 140 N HN 1.055 nan 8.380 nan 0.000 0.541 141 G N -2.281 106.516 108.800 -0.004 0.000 2.157 141 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.239 141 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.239 141 G C 0.236 175.136 174.900 0.000 0.000 0.982 141 G CA 0.556 45.658 45.100 0.003 0.000 0.650 141 G HN 1.123 nan 8.290 nan 0.000 0.527 142 S N -0.375 115.319 115.700 -0.009 0.000 2.593 142 S HA 0.518 4.988 4.470 -0.000 0.000 0.269 142 S C 0.050 174.647 174.600 -0.005 0.000 1.334 142 S CA 0.074 58.266 58.200 -0.012 0.000 1.015 142 S CB 1.861 65.047 63.200 -0.024 0.000 0.912 142 S HN 0.750 nan 8.310 nan 0.000 0.541 143 N N 1.767 120.457 118.700 -0.016 0.000 2.511 143 N HA 0.366 5.106 4.740 -0.000 0.000 0.249 143 N C -1.779 173.722 175.510 -0.015 0.000 0.971 143 N CA -2.557 50.476 53.050 -0.027 0.000 0.938 143 N CB 1.346 39.788 38.487 -0.075 0.000 1.131 143 N HN 0.308 nan 8.380 nan 0.000 0.505 144 P HA -0.073 nan 4.420 nan 0.000 0.226 144 P C 0.345 177.675 177.300 0.051 0.000 1.153 144 P CA 0.925 64.050 63.100 0.042 0.000 0.777 144 P CB 0.554 32.295 31.700 0.068 0.000 0.794 145 E N -0.092 120.129 120.200 0.035 0.000 2.268 145 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 145 E C 0.977 177.590 176.600 0.023 0.000 0.995 145 E CA 0.595 57.039 56.400 0.074 0.000 0.836 145 E CB -0.240 29.464 29.700 0.007 0.000 0.763 145 E HN 0.306 nan 8.360 nan 0.000 0.491 146 Q N 2.302 122.073 119.800 -0.049 0.000 2.293 146 Q HA 0.007 4.347 4.340 -0.000 0.000 0.263 146 Q C -0.770 175.236 176.000 0.008 0.000 1.002 146 Q CA -0.052 55.718 55.803 -0.054 0.000 0.910 146 Q CB 0.681 29.379 28.738 -0.066 0.000 1.185 146 Q HN -0.163 nan 8.270 nan 0.000 0.401 147 D N 5.593 126.015 120.400 0.036 0.000 2.348 147 D HA 0.106 4.746 4.640 -0.000 0.000 0.253 147 D C -1.831 174.481 176.300 0.020 0.000 1.161 147 D CA -2.019 52.004 54.000 0.038 0.000 0.876 147 D CB 1.336 42.171 40.800 0.058 0.000 1.160 147 D HN 0.411 nan 8.370 nan 0.000 0.459 148 P HA 0.001 nan 4.420 nan 0.000 0.236 148 P C 1.144 178.441 177.300 -0.004 0.000 1.177 148 P CA 0.480 63.576 63.100 -0.007 0.000 0.773 148 P CB 0.277 31.961 31.700 -0.026 0.000 0.878 149 L N -0.911 120.313 121.223 0.002 0.000 2.611 149 L HA 0.204 4.544 4.340 -0.000 0.000 0.229 149 L C 1.364 178.243 176.870 0.015 0.000 1.137 149 L CA 0.272 55.114 54.840 0.003 0.000 0.901 149 L CB -0.294 41.764 42.059 -0.002 0.000 1.098 149 L HN -0.139 nan 8.230 nan 0.000 0.456 150 R N -0.721 119.798 120.500 0.031 0.000 2.637 150 R HA 0.191 4.531 4.340 -0.000 0.000 0.446 150 R C -0.242 176.109 176.300 0.085 0.000 1.024 150 R CA -0.300 55.831 56.100 0.052 0.000 1.080 150 R CB 0.315 30.646 30.300 0.052 0.000 1.421 150 R HN 0.056 nan 8.270 nan 0.000 0.593 151 N N 0.670 119.397 118.700 0.044 0.000 2.458 151 N HA 0.344 5.084 4.740 -0.000 0.000 0.271 151 N C -0.593 174.821 175.510 -0.160 0.000 1.210 151 N CA -0.401 52.654 53.050 0.008 0.000 0.978 151 N CB 0.962 39.450 38.487 0.002 0.000 1.206 151 N HN 0.083 nan 8.380 nan 0.000 0.536 152 L N 1.898 122.856 121.223 -0.442 0.000 2.504 152 L HA 0.201 4.541 4.340 -0.000 0.000 0.249 152 L C 1.345 177.977 176.870 -0.397 0.000 1.120 152 L CA -0.255 54.184 54.840 -0.667 0.000 0.997 152 L CB 0.538 41.756 42.059 -1.401 0.000 1.349 152 L HN 0.637 nan 8.230 nan 0.000 0.439 153 S N -0.437 115.149 115.700 -0.189 0.000 2.419 153 S HA -0.111 4.359 4.470 -0.000 0.000 0.233 153 S C 1.768 176.317 174.600 -0.085 0.000 1.016 153 S CA 0.992 59.138 58.200 -0.090 0.000 0.974 153 S CB -0.150 63.015 63.200 -0.058 0.000 0.786 153 S HN 0.627 nan 8.310 nan 0.000 0.492 154 G N 0.519 109.248 108.800 -0.119 0.000 2.744 154 G HA2 0.079 4.039 3.960 -0.000 0.000 0.211 154 G HA3 0.079 4.039 3.960 -0.000 0.000 0.211 154 G C 0.567 175.422 174.900 -0.074 0.000 1.143 154 G CA -0.267 44.779 45.100 -0.089 0.000 0.788 154 G HN 0.385 nan 8.290 nan 0.000 0.534 155 Q N 0.493 120.222 119.800 -0.119 0.000 2.337 155 Q HA 0.513 4.853 4.340 -0.000 0.000 0.270 155 Q C -0.177 175.849 176.000 0.043 0.000 1.002 155 Q CA 0.297 56.069 55.803 -0.052 0.000 0.888 155 Q CB 1.450 30.119 28.738 -0.115 0.000 1.222 155 Q HN 0.274 nan 8.270 nan 0.000 0.400 156 A N 1.905 124.764 122.820 0.065 0.000 2.606 156 A HA 0.691 5.011 4.320 -0.000 0.000 0.293 156 A C -0.977 176.662 177.584 0.093 0.000 1.082 156 A CA -0.594 51.489 52.037 0.077 0.000 0.685 156 A CB 1.239 20.277 19.000 0.064 0.000 1.284 156 A HN 0.453 nan 8.150 nan 0.000 0.408 157 V N -1.853 118.124 119.914 0.104 0.000 3.046 157 V HA 0.976 5.096 4.120 -0.000 0.000 0.316 157 V C -0.358 175.830 176.094 0.155 0.000 1.104 157 V CA -0.582 61.793 62.300 0.125 0.000 1.006 157 V CB 1.691 33.596 31.823 0.138 0.000 1.058 157 V HN 0.921 nan 8.190 nan 0.000 0.440 158 T N 2.306 116.958 114.554 0.164 0.000 2.879 158 T HA 0.584 4.934 4.350 -0.000 0.000 0.290 158 T C -0.522 174.254 174.700 0.126 0.000 0.993 158 T CA -0.493 61.700 62.100 0.155 0.000 0.975 158 T CB 1.185 70.173 68.868 0.199 0.000 0.981 158 T HN 0.787 nan 8.240 nan 0.000 0.439 159 R N 2.521 123.086 120.500 0.108 0.000 2.363 159 R HA 0.657 4.997 4.340 -0.000 0.000 0.297 159 R C -0.808 175.530 176.300 0.062 0.000 1.208 159 R CA -0.679 55.463 56.100 0.071 0.000 1.121 159 R CB 1.001 31.330 30.300 0.049 0.000 1.124 159 R HN 0.508 nan 8.270 nan 0.000 0.561 160 V N -1.878 118.067 119.914 0.052 0.000 3.225 160 V HA 0.373 4.493 4.120 -0.000 0.000 0.293 160 V C -0.119 175.998 176.094 0.039 0.000 1.405 160 V CA -1.225 61.105 62.300 0.050 0.000 1.038 160 V CB 1.755 33.613 31.823 0.059 0.000 1.123 160 V HN 0.170 nan 8.190 nan 0.000 0.447 161 V N 3.187 123.124 119.914 0.039 0.000 2.509 161 V HA 0.452 4.572 4.120 -0.000 0.000 0.297 161 V C 1.784 177.898 176.094 0.032 0.000 1.014 161 V CA 2.135 64.457 62.300 0.037 0.000 1.127 161 V CB -0.041 31.805 31.823 0.039 0.000 0.925 161 V HN 2.203 nan 8.190 nan 0.000 0.480 162 G N 3.270 112.084 108.800 0.023 0.000 2.213 162 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.236 162 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.236 162 G C 1.037 175.912 174.900 -0.042 0.000 0.991 162 G CA 0.326 45.427 45.100 0.001 0.000 0.629 162 G HN 2.116 nan 8.290 nan 0.000 0.517 163 G N 0.263 109.050 108.800 -0.022 0.000 2.614 163 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.303 163 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.303 163 G C 1.230 176.070 174.900 -0.101 0.000 1.270 163 G CA 1.359 46.440 45.100 -0.032 0.000 0.988 163 G HN 1.104 nan 8.290 nan 0.000 0.551 164 M N 1.566 121.068 119.600 -0.163 0.000 2.446 164 M HA -0.047 4.433 4.480 -0.000 0.000 0.263 164 M C 2.697 178.644 176.300 -0.588 0.000 1.066 164 M CA 1.879 56.940 55.300 -0.398 0.000 1.087 164 M CB -0.282 32.169 32.600 -0.249 0.000 1.406 164 M HN 0.724 nan 8.290 nan 0.000 0.459 165 S N -0.723 114.696 115.700 -0.468 0.000 2.607 165 S HA -0.043 4.427 4.470 -0.000 0.000 0.224 165 S C 1.552 175.999 174.600 -0.255 0.000 0.969 165 S CA 1.005 58.836 58.200 -0.616 0.000 0.927 165 S CB -0.831 62.027 63.200 -0.570 0.000 0.772 165 S HN 0.559 nan 8.310 nan 0.000 0.533 166 T N -0.881 113.536 114.554 -0.229 0.000 3.129 166 T HA 0.107 4.457 4.350 -0.000 0.000 0.251 166 T C 1.292 175.818 174.700 -0.289 0.000 1.117 166 T CA 0.711 62.710 62.100 -0.168 0.000 1.034 166 T CB -0.631 68.229 68.868 -0.013 0.000 0.968 166 T HN 0.901 nan 8.240 nan 0.000 0.526 167 H N -2.076 116.897 119.070 -0.162 0.000 3.876 167 H HA 0.183 4.739 4.556 -0.000 0.000 0.262 167 H C 0.615 176.089 175.328 0.243 0.000 1.158 167 H CA -0.964 55.120 56.048 0.060 0.000 1.170 167 H CB -0.540 29.245 29.762 0.039 0.000 1.528 167 H HN 0.440 nan 8.280 nan 0.000 0.689 168 W N 3.714 124.913 121.300 -0.169 0.000 2.124 168 W HA 0.211 4.871 4.660 -0.000 0.000 0.356 168 W C 0.581 177.092 176.519 -0.013 0.000 1.302 168 W CA 0.228 57.556 57.345 -0.027 0.000 1.293 168 W CB -0.242 29.173 29.460 -0.076 0.000 1.199 168 W HN 0.116 nan 8.180 nan 0.000 0.606 169 S N -0.731 114.825 115.700 -0.241 0.000 2.614 169 S HA 0.189 4.659 4.470 -0.000 0.000 0.230 169 S C 0.682 174.854 174.600 -0.713 0.000 0.952 169 S CA 0.183 58.034 58.200 -0.580 0.000 0.949 169 S CB -1.162 61.740 63.200 -0.497 0.000 0.786 169 S HN 0.761 nan 8.310 nan 0.000 0.478 170 C N 0.553 119.089 119.300 -1.273 0.000 4.465 170 C HA -0.131 4.329 4.460 -0.000 0.000 0.274 170 C C 1.143 175.651 174.990 -0.803 0.000 1.337 170 C CA -0.024 57.984 59.018 -1.682 0.000 1.822 170 C CB -2.707 24.491 27.740 -0.905 0.000 1.357 170 C HN 0.972 nan 8.230 nan 0.000 0.753 171 A N 1.136 123.700 122.820 -0.427 0.000 2.347 171 A HA 0.569 4.889 4.320 -0.000 0.000 0.287 171 A C 0.696 178.209 177.584 -0.119 0.000 1.199 171 A CA 1.001 52.944 52.037 -0.158 0.000 0.851 171 A CB 0.208 19.195 19.000 -0.020 0.000 1.118 171 A HN 1.277 nan 8.150 nan 0.000 0.525 172 T N 2.025 116.522 114.554 -0.095 0.000 3.241 172 T HA 0.566 4.916 4.350 -0.000 0.000 0.387 172 T C -2.716 171.948 174.700 -0.059 0.000 1.451 172 T CA -1.588 60.488 62.100 -0.039 0.000 1.363 172 T CB 0.811 69.688 68.868 0.015 0.000 1.074 172 T HN 0.448 nan 8.240 nan 0.000 0.598 173 P HA 0.440 nan 4.420 nan 0.000 0.281 173 P C -0.297 176.872 177.300 -0.217 0.000 1.264 173 P CA -0.817 62.206 63.100 -0.129 0.000 0.824 173 P CB 1.295 32.913 31.700 -0.137 0.000 1.092 174 R N 0.367 120.663 120.500 -0.340 0.000 2.490 174 R HA 0.392 4.732 4.340 -0.000 0.000 0.278 174 R C -0.056 176.144 176.300 -0.168 0.000 1.069 174 R CA -0.439 55.276 56.100 -0.641 0.000 1.080 174 R CB 0.186 29.995 30.300 -0.818 0.000 1.030 174 R HN 0.375 nan 8.270 nan 0.000 0.491 175 F N 2.324 122.066 119.950 -0.348 0.000 2.412 175 F HA 0.044 4.571 4.527 -0.000 0.000 0.348 175 F C 0.982 176.618 175.800 -0.273 0.000 1.102 175 F CA -1.423 56.405 58.000 -0.287 0.000 1.196 175 F CB 0.336 39.157 39.000 -0.298 0.000 1.144 175 F HN 0.537 nan 8.300 nan 0.000 0.541 176 D N 2.781 123.122 120.400 -0.098 0.000 2.377 176 D HA 0.130 4.770 4.640 -0.000 0.000 0.245 176 D C 1.053 177.268 176.300 -0.141 0.000 1.196 176 D CA -0.450 53.486 54.000 -0.106 0.000 0.962 176 D CB 0.616 41.366 40.800 -0.082 0.000 1.127 176 D HN 0.477 nan 8.370 nan 0.000 0.471 177 R N -0.057 120.384 120.500 -0.099 0.000 2.113 177 R HA -0.202 4.138 4.340 -0.000 0.000 0.244 177 R C 2.010 178.247 176.300 -0.106 0.000 1.142 177 R CA 1.707 57.753 56.100 -0.090 0.000 0.953 177 R CB -0.296 29.985 30.300 -0.030 0.000 0.860 177 R HN 0.639 nan 8.270 nan 0.000 0.438 178 E N 0.643 120.776 120.200 -0.111 0.000 2.130 178 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 178 E C 1.741 178.206 176.600 -0.225 0.000 0.998 178 E CA 1.394 57.722 56.400 -0.120 0.000 0.806 178 E CB 0.060 29.724 29.700 -0.060 0.000 0.738 178 E HN 0.486 nan 8.360 nan 0.000 0.459 179 Q N -0.522 119.050 119.800 -0.379 0.000 2.360 179 Q HA 0.079 4.419 4.340 -0.000 0.000 0.202 179 Q C 0.586 176.456 176.000 -0.216 0.000 0.915 179 Q CA 0.028 55.544 55.803 -0.480 0.000 0.943 179 Q CB 0.544 28.712 28.738 -0.950 0.000 1.064 179 Q HN -0.041 nan 8.270 nan 0.000 0.511 180 R N 1.789 122.217 120.500 -0.119 0.000 2.599 180 R HA 0.345 4.685 4.340 -0.000 0.000 0.295 180 R C -2.668 173.612 176.300 -0.033 0.000 0.963 180 R CA -2.064 53.979 56.100 -0.096 0.000 0.883 180 R CB 1.510 31.599 30.300 -0.352 0.000 1.171 180 R HN -0.127 nan 8.270 nan 0.000 0.450 181 P HA 0.123 nan 4.420 nan 0.000 0.276 181 P C -0.662 176.802 177.300 0.273 0.000 1.244 181 P CA -0.343 62.847 63.100 0.149 0.000 0.801 181 P CB 0.948 32.742 31.700 0.156 0.000 1.006 182 L N 2.282 123.652 121.223 0.246 0.000 2.367 182 L HA 0.170 4.510 4.340 -0.000 0.000 0.275 182 L C 1.755 178.809 176.870 0.306 0.000 1.129 182 L CA -0.247 54.803 54.840 0.350 0.000 0.839 182 L CB 0.325 42.614 42.059 0.384 0.000 1.133 182 L HN 0.351 nan 8.230 nan 0.000 0.453 183 L N 3.577 125.010 121.223 0.349 0.000 2.515 183 L HA 0.195 4.535 4.340 -0.000 0.000 0.223 183 L C -0.084 176.964 176.870 0.296 0.000 1.079 183 L CA 0.225 55.150 54.840 0.141 0.000 0.857 183 L CB 0.630 42.572 42.059 -0.195 0.000 1.050 183 L HN 0.322 nan 8.230 nan 0.000 0.476 184 V N 0.444 120.542 119.914 0.307 0.000 2.540 184 V HA 0.255 4.375 4.120 -0.000 0.000 0.302 184 V C -0.157 176.039 176.094 0.171 0.000 1.035 184 V CA -0.952 61.480 62.300 0.219 0.000 0.873 184 V CB 2.068 33.961 31.823 0.116 0.000 0.992 184 V HN 0.045 nan 8.190 nan 0.000 0.428 185 K N 2.602 122.980 120.400 -0.037 0.000 2.185 185 K HA 0.257 4.577 4.320 -0.000 0.000 0.271 185 K C 0.031 176.598 176.600 -0.055 0.000 1.013 185 K CA -0.138 56.063 56.287 -0.142 0.000 0.943 185 K CB 0.411 32.633 32.500 -0.464 0.000 0.998 185 K HN 0.797 nan 8.250 nan 0.000 0.468 186 D N 2.021 122.407 120.400 -0.023 0.000 2.751 186 D HA -0.212 4.428 4.640 -0.000 0.000 0.233 186 D C -0.859 175.448 176.300 0.011 0.000 1.149 186 D CA 1.242 55.238 54.000 -0.007 0.000 0.682 186 D CB -0.735 40.049 40.800 -0.027 0.000 1.068 186 D HN 0.620 nan 8.370 nan 0.000 0.429 187 D N -1.615 118.805 120.400 0.034 0.000 2.881 187 D HA 0.343 4.983 4.640 -0.000 0.000 0.238 187 D C 1.111 177.448 176.300 0.063 0.000 1.368 187 D CA 0.244 54.268 54.000 0.040 0.000 0.871 187 D CB 0.157 40.977 40.800 0.033 0.000 1.516 187 D HN 0.016 nan 8.370 nan 0.000 0.544 188 A N 1.860 124.718 122.820 0.063 0.000 1.915 188 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 188 A C 1.654 179.287 177.584 0.082 0.000 1.198 188 A CA 1.882 53.965 52.037 0.077 0.000 0.647 188 A CB -0.116 18.920 19.000 0.060 0.000 0.825 188 A HN 0.456 nan 8.150 nan 0.000 0.456 189 D N -0.358 120.081 120.400 0.064 0.000 2.144 189 D HA 0.014 4.654 4.640 -0.000 0.000 0.200 189 D C 2.166 178.507 176.300 0.069 0.000 0.978 189 D CA 1.431 55.468 54.000 0.063 0.000 0.833 189 D CB -0.441 40.386 40.800 0.046 0.000 0.961 189 D HN 0.472 nan 8.370 nan 0.000 0.470 190 A N 0.690 123.549 122.820 0.064 0.000 2.014 190 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 190 A C 1.907 179.543 177.584 0.088 0.000 1.163 190 A CA 1.687 53.760 52.037 0.061 0.000 0.652 190 A CB -0.399 18.628 19.000 0.045 0.000 0.808 190 A HN 0.155 nan 8.150 nan 0.000 0.449 191 D N -0.038 120.438 120.400 0.127 0.000 2.097 191 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 191 D C 1.211 177.682 176.300 0.284 0.000 0.984 191 D CA 1.521 55.646 54.000 0.208 0.000 0.826 191 D CB -0.111 40.835 40.800 0.244 0.000 0.973 191 D HN 0.316 nan 8.370 nan 0.000 0.460 192 D N 0.001 120.531 120.400 0.217 0.000 2.123 192 D HA -0.126 4.514 4.640 -0.000 0.000 0.196 192 D C 2.025 178.440 176.300 0.192 0.000 0.992 192 D CA 1.447 55.577 54.000 0.216 0.000 0.833 192 D CB -0.633 40.247 40.800 0.134 0.000 0.954 192 D HN 0.331 nan 8.370 nan 0.000 0.455 193 A N 0.819 123.713 122.820 0.123 0.000 1.883 193 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 193 A C 2.166 179.785 177.584 0.058 0.000 1.186 193 A CA 2.130 54.216 52.037 0.081 0.000 0.624 193 A CB -0.668 18.361 19.000 0.049 0.000 0.822 193 A HN 0.212 nan 8.150 nan 0.000 0.444 194 E N -0.825 119.389 120.200 0.024 0.000 2.023 194 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 194 E C 1.723 178.233 176.600 -0.150 0.000 1.003 194 E CA 1.868 58.212 56.400 -0.094 0.000 0.809 194 E CB -0.564 29.043 29.700 -0.155 0.000 0.755 194 E HN 0.707 nan 8.360 nan 0.000 0.449 195 W N 0.821 122.089 121.300 -0.052 0.000 2.338 195 W HA -0.164 4.496 4.660 -0.000 0.000 0.304 195 W C 2.293 178.822 176.519 0.015 0.000 1.212 195 W CA 1.472 58.753 57.345 -0.106 0.000 1.264 195 W CB -0.600 28.846 29.460 -0.023 0.000 1.142 195 W HN 0.301 nan 8.180 nan 0.000 0.512 196 D N -0.126 120.469 120.400 0.326 0.000 2.123 196 D HA -0.235 4.405 4.640 -0.000 0.000 0.196 196 D C 2.177 178.555 176.300 0.130 0.000 0.992 196 D CA 1.654 55.799 54.000 0.242 0.000 0.833 196 D CB -0.192 40.704 40.800 0.159 0.000 0.954 196 D HN -0.014 nan 8.370 nan 0.000 0.455 197 R N -0.269 120.258 120.500 0.045 0.000 2.066 197 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 197 R C 2.439 178.697 176.300 -0.069 0.000 1.131 197 R CA 1.040 57.128 56.100 -0.020 0.000 0.955 197 R CB -0.304 29.964 30.300 -0.053 0.000 0.851 197 R HN 0.267 nan 8.270 nan 0.000 0.432 198 L N -0.337 120.804 121.223 -0.136 0.000 1.989 198 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 198 L C 2.439 179.237 176.870 -0.121 0.000 1.071 198 L CA 1.452 56.158 54.840 -0.223 0.000 0.749 198 L CB -0.727 41.077 42.059 -0.425 0.000 0.890 198 L HN 0.221 nan 8.230 nan 0.000 0.431 199 Y N 0.436 120.734 120.300 -0.003 0.000 2.181 199 Y HA -0.238 4.312 4.550 -0.000 0.000 0.288 199 Y C 2.896 178.773 175.900 -0.038 0.000 1.146 199 Y CA 1.555 59.662 58.100 0.011 0.000 1.164 199 Y CB -1.191 37.310 38.460 0.069 0.000 0.982 199 Y HN 0.170 nan 8.280 nan 0.000 0.515 200 T N -0.148 114.480 114.554 0.123 0.000 2.720 200 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 200 T C 1.983 176.645 174.700 -0.065 0.000 1.037 200 T CA 1.549 63.668 62.100 0.032 0.000 1.144 200 T CB -0.120 68.759 68.868 0.018 0.000 0.864 200 T HN 0.252 nan 8.240 nan 0.000 0.444 201 K N 0.782 121.087 120.400 -0.159 0.000 2.057 201 K HA 0.071 4.391 4.320 -0.000 0.000 0.206 201 K C 2.705 178.975 176.600 -0.550 0.000 1.050 201 K CA 1.123 57.180 56.287 -0.383 0.000 0.935 201 K CB -0.317 31.913 32.500 -0.449 0.000 0.715 201 K HN 0.295 nan 8.250 nan 0.000 0.439 202 A N 1.666 124.289 122.820 -0.329 0.000 1.933 202 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 202 A C 1.871 179.456 177.584 0.001 0.000 1.175 202 A CA 1.527 53.431 52.037 -0.221 0.000 0.628 202 A CB -0.386 18.583 19.000 -0.052 0.000 0.814 202 A HN 0.339 nan 8.150 nan 0.000 0.444 203 E N -0.548 119.694 120.200 0.071 0.000 2.110 203 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 203 E C 2.252 178.922 176.600 0.116 0.000 0.988 203 E CA 1.180 57.664 56.400 0.140 0.000 0.804 203 E CB -0.171 29.585 29.700 0.093 0.000 0.745 203 E HN 0.602 nan 8.360 nan 0.000 0.458 204 S N -0.306 115.405 115.700 0.018 0.000 2.355 204 S HA -0.167 4.303 4.470 -0.000 0.000 0.222 204 S C 1.844 176.552 174.600 0.180 0.000 1.031 204 S CA 0.946 59.180 58.200 0.057 0.000 0.993 204 S CB -0.248 62.951 63.200 -0.002 0.000 0.859 204 S HN 0.252 nan 8.310 nan 0.000 0.453 205 Y N 0.503 120.810 120.300 0.011 0.000 2.114 205 Y HA -0.060 4.490 4.550 -0.000 0.000 0.282 205 Y C 2.141 178.063 175.900 0.037 0.000 1.165 205 Y CA 0.496 58.571 58.100 -0.042 0.000 1.148 205 Y CB -1.312 37.040 38.460 -0.181 0.000 0.972 205 Y HN 0.324 nan 8.280 nan 0.000 0.504 206 F N 0.219 120.314 119.950 0.241 0.000 2.748 206 F HA -0.021 4.506 4.527 -0.000 0.000 0.299 206 F C 0.876 176.782 175.800 0.176 0.000 1.154 206 F CA 0.318 58.454 58.000 0.227 0.000 1.446 206 F CB -0.487 38.668 39.000 0.259 0.000 1.112 206 F HN 0.036 nan 8.300 nan 0.000 0.584 207 Q N 0.479 120.462 119.800 0.305 0.000 2.451 207 Q HA -0.196 4.144 4.340 -0.000 0.000 0.305 207 Q C 0.105 176.189 176.000 0.140 0.000 1.345 207 Q CA 0.814 56.724 55.803 0.177 0.000 0.854 207 Q CB -2.642 26.177 28.738 0.135 0.000 1.162 207 Q HN 0.236 nan 8.270 nan 0.000 0.440 208 T N -0.209 114.442 114.554 0.161 0.000 2.940 208 T HA 0.462 4.812 4.350 -0.000 0.000 0.309 208 T C 0.818 175.546 174.700 0.047 0.000 1.056 208 T CA 0.508 62.667 62.100 0.098 0.000 1.137 208 T CB 1.380 70.314 68.868 0.109 0.000 0.976 208 T HN 0.507 nan 8.240 nan 0.000 0.547 209 G N 0.332 109.145 108.800 0.021 0.000 2.684 209 G HA2 0.548 4.508 3.960 -0.000 0.000 0.290 209 G HA3 0.548 4.508 3.960 -0.000 0.000 0.290 209 G C -0.047 174.859 174.900 0.011 0.000 1.425 209 G CA -0.577 44.526 45.100 0.005 0.000 0.822 209 G HN 0.650 nan 8.290 nan 0.000 0.482 210 T N -2.325 112.234 114.554 0.009 0.000 3.337 210 T HA 0.287 4.637 4.350 -0.000 0.000 0.299 210 T C 0.004 174.715 174.700 0.017 0.000 0.998 210 T CA 0.437 62.553 62.100 0.027 0.000 0.948 210 T CB 0.359 69.250 68.868 0.038 0.000 1.170 210 T HN 0.526 nan 8.240 nan 0.000 0.508 211 D N 0.137 120.524 120.400 -0.020 0.000 2.539 211 D HA 0.074 4.714 4.640 -0.000 0.000 0.232 211 D C 1.209 177.424 176.300 -0.142 0.000 1.256 211 D CA -0.143 53.821 54.000 -0.060 0.000 0.810 211 D CB -0.093 40.668 40.800 -0.064 0.000 1.090 211 D HN 0.228 nan 8.370 nan 0.000 0.519 212 Q N -0.398 119.304 119.800 -0.163 0.000 2.369 212 Q HA 0.157 4.497 4.340 -0.000 0.000 0.206 212 Q C 0.380 175.984 176.000 -0.661 0.000 0.963 212 Q CA 0.948 56.517 55.803 -0.390 0.000 0.894 212 Q CB -0.259 28.227 28.738 -0.420 0.000 0.965 212 Q HN 0.286 nan 8.270 nan 0.000 0.475 213 F N 0.205 119.987 119.950 -0.280 0.000 2.654 213 F HA 0.212 4.739 4.527 -0.000 0.000 0.303 213 F C 1.433 177.024 175.800 -0.349 0.000 1.099 213 F CA -0.457 57.340 58.000 -0.338 0.000 1.270 213 F CB 0.297 39.052 39.000 -0.410 0.000 1.024 213 F HN 0.004 nan 8.300 nan 0.000 0.548 214 K N 0.616 120.904 120.400 -0.187 0.000 2.209 214 K HA -0.127 4.193 4.320 -0.000 0.000 0.204 214 K C 0.619 177.047 176.600 -0.287 0.000 1.048 214 K CA 1.668 57.881 56.287 -0.124 0.000 0.940 214 K CB -0.177 32.247 32.500 -0.127 0.000 0.729 214 K HN 0.327 nan 8.250 nan 0.000 0.451 215 E N 1.706 121.635 120.200 -0.452 0.000 2.496 215 E HA 0.050 4.400 4.350 -0.000 0.000 0.200 215 E C -0.692 175.719 176.600 -0.315 0.000 1.016 215 E CA -0.283 55.601 56.400 -0.860 0.000 0.962 215 E CB 0.928 30.118 29.700 -0.850 0.000 1.071 215 E HN 0.215 nan 8.360 nan 0.000 0.457 216 S N 0.742 116.409 115.700 -0.054 0.000 2.528 216 S HA 0.171 4.641 4.470 -0.000 0.000 0.277 216 S C 1.251 175.960 174.600 0.182 0.000 1.297 216 S CA -0.446 57.815 58.200 0.101 0.000 1.052 216 S CB 0.496 63.814 63.200 0.196 0.000 0.917 216 S HN 0.211 nan 8.310 nan 0.000 0.492 217 I N 4.803 125.360 120.570 -0.022 0.000 2.202 217 I HA -0.132 4.038 4.170 -0.000 0.000 0.242 217 I C 2.622 178.582 176.117 -0.261 0.000 1.091 217 I CA 1.053 62.100 61.300 -0.423 0.000 1.368 217 I CB -0.220 37.290 38.000 -0.818 0.000 1.058 217 I HN 0.693 nan 8.210 nan 0.000 0.410 218 R N -0.465 119.964 120.500 -0.118 0.000 2.092 218 R HA -0.201 4.139 4.340 -0.000 0.000 0.231 218 R C 2.332 178.667 176.300 0.059 0.000 1.119 218 R CA 1.365 57.442 56.100 -0.039 0.000 0.970 218 R CB -0.641 29.645 30.300 -0.023 0.000 0.864 218 R HN 0.399 nan 8.270 nan 0.000 0.440 219 H N 1.332 120.427 119.070 0.042 0.000 2.319 219 H HA -0.087 4.469 4.556 -0.000 0.000 0.297 219 H C 1.735 177.144 175.328 0.134 0.000 1.097 219 H CA 1.964 58.062 56.048 0.083 0.000 1.285 219 H CB -0.043 29.794 29.762 0.126 0.000 1.368 219 H HN 0.123 nan 8.280 nan 0.000 0.495 220 N N -0.141 118.665 118.700 0.177 0.000 2.250 220 N HA -0.110 4.629 4.740 -0.000 0.000 0.181 220 N C 2.034 177.703 175.510 0.266 0.000 1.017 220 N CA 0.880 54.086 53.050 0.261 0.000 0.866 220 N CB -0.265 38.593 38.487 0.619 0.000 0.985 220 N HN 0.278 nan 8.380 nan 0.000 0.429 221 L N 1.473 122.875 121.223 0.298 0.000 2.013 221 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 221 L C 2.107 179.046 176.870 0.115 0.000 1.073 221 L CA 1.514 56.523 54.840 0.282 0.000 0.753 221 L CB -0.640 41.526 42.059 0.179 0.000 0.890 221 L HN -0.094 nan 8.230 nan 0.000 0.432 222 V N -1.106 118.825 119.914 0.028 0.000 2.407 222 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 222 V C 2.379 178.404 176.094 -0.115 0.000 1.041 222 V CA 1.336 63.616 62.300 -0.033 0.000 1.040 222 V CB -0.540 31.243 31.823 -0.067 0.000 0.671 222 V HN 0.488 nan 8.190 nan 0.000 0.455 223 L N 1.172 122.294 121.223 -0.167 0.000 1.990 223 L HA -0.206 4.134 4.340 -0.000 0.000 0.213 223 L C 2.253 179.057 176.870 -0.110 0.000 1.072 223 L CA 2.186 56.913 54.840 -0.187 0.000 0.755 223 L CB -0.931 40.970 42.059 -0.264 0.000 0.889 223 L HN 0.315 nan 8.230 nan 0.000 0.432 224 N N -0.107 118.579 118.700 -0.024 0.000 2.069 224 N HA -0.225 4.515 4.740 -0.000 0.000 0.191 224 N C 1.855 177.345 175.510 -0.034 0.000 1.031 224 N CA 1.518 54.569 53.050 0.001 0.000 0.852 224 N CB -0.419 38.098 38.487 0.050 0.000 1.018 224 N HN 0.291 nan 8.380 nan 0.000 0.423 225 K N 1.300 121.680 120.400 -0.033 0.000 2.026 225 K HA 0.062 4.382 4.320 -0.000 0.000 0.208 225 K C 1.958 178.507 176.600 -0.084 0.000 1.048 225 K CA 0.947 57.213 56.287 -0.035 0.000 0.929 225 K CB -0.470 32.030 32.500 0.001 0.000 0.713 225 K HN 0.148 nan 8.250 nan 0.000 0.439 226 L N -0.003 121.100 121.223 -0.199 0.000 2.072 226 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 226 L C 2.229 178.888 176.870 -0.351 0.000 1.079 226 L CA 1.530 56.144 54.840 -0.377 0.000 0.752 226 L CB -0.807 40.655 42.059 -0.996 0.000 0.906 226 L HN 0.219 nan 8.230 nan 0.000 0.436 227 T N -0.575 113.812 114.554 -0.279 0.000 2.665 227 T HA -0.300 4.050 4.350 -0.000 0.000 0.268 227 T C 1.775 176.524 174.700 0.083 0.000 1.035 227 T CA 1.997 64.119 62.100 0.037 0.000 1.151 227 T CB -0.171 68.739 68.868 0.070 0.000 0.862 227 T HN 0.417 nan 8.240 nan 0.000 0.438 228 E N 0.512 120.722 120.200 0.016 0.000 2.072 228 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 228 E C 2.154 178.752 176.600 -0.002 0.000 0.985 228 E CA 0.864 57.270 56.400 0.010 0.000 0.801 228 E CB 0.053 29.742 29.700 -0.017 0.000 0.750 228 E HN 0.417 nan 8.360 nan 0.000 0.452 229 E N -0.437 119.747 120.200 -0.026 0.000 2.204 229 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 229 E C 0.731 177.193 176.600 -0.229 0.000 0.990 229 E CA 0.923 57.238 56.400 -0.141 0.000 0.821 229 E CB 0.041 29.635 29.700 -0.177 0.000 0.750 229 E HN 0.491 nan 8.360 nan 0.000 0.477 230 Y N 0.343 120.688 120.300 0.075 0.000 2.660 230 Y HA 0.186 4.736 4.550 -0.000 0.000 0.254 230 Y C 0.569 176.538 175.900 0.115 0.000 1.176 230 Y CA -0.457 57.724 58.100 0.135 0.000 1.195 230 Y CB 0.468 39.101 38.460 0.288 0.000 1.190 230 Y HN -0.260 nan 8.280 nan 0.000 0.535 231 K N 0.756 121.257 120.400 0.168 0.000 2.491 231 K HA 0.090 4.410 4.320 -0.000 0.000 0.279 231 K C 1.278 177.941 176.600 0.104 0.000 1.026 231 K CA 1.389 57.752 56.287 0.125 0.000 1.070 231 K CB -0.001 32.539 32.500 0.068 0.000 0.887 231 K HN 0.651 nan 8.250 nan 0.000 0.481 232 G N 3.112 111.973 108.800 0.102 0.000 2.212 232 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.266 232 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.266 232 G C 0.695 175.651 174.900 0.093 0.000 0.978 232 G CA 0.821 45.970 45.100 0.080 0.000 0.632 232 G HN 0.747 nan 8.290 nan 0.000 0.537 233 Q N -1.001 118.881 119.800 0.137 0.000 2.499 233 Q HA 0.234 4.574 4.340 -0.000 0.000 0.213 233 Q C 1.200 177.280 176.000 0.134 0.000 0.929 233 Q CA 0.447 56.342 55.803 0.152 0.000 0.904 233 Q CB 0.693 29.558 28.738 0.210 0.000 1.052 233 Q HN 0.570 nan 8.270 nan 0.000 0.589 234 R N 0.530 121.118 120.500 0.145 0.000 2.740 234 R HA 0.417 4.757 4.340 -0.000 0.000 0.273 234 R C -1.524 174.777 176.300 0.001 0.000 0.998 234 R CA -0.773 55.311 56.100 -0.026 0.000 0.900 234 R CB 1.492 31.549 30.300 -0.404 0.000 1.223 234 R HN -0.063 nan 8.270 nan 0.000 0.466 235 D N 1.310 121.635 120.400 -0.125 0.000 2.168 235 D HA 0.378 5.018 4.640 -0.000 0.000 0.246 235 D C -0.820 175.326 176.300 -0.257 0.000 1.050 235 D CA 0.062 54.033 54.000 -0.048 0.000 0.857 235 D CB 1.222 42.014 40.800 -0.014 0.000 1.169 235 D HN 0.157 nan 8.370 nan 0.000 0.453 236 F N 0.957 120.913 119.950 0.011 0.000 2.522 236 F HA 0.382 4.909 4.527 -0.000 0.000 0.324 236 F C 0.723 176.540 175.800 0.028 0.000 1.077 236 F CA -0.571 57.429 58.000 0.000 0.000 0.944 236 F CB 1.795 40.791 39.000 -0.006 0.000 1.175 236 F HN 0.225 nan 8.300 nan 0.000 0.468 237 Q N -0.045 119.873 119.800 0.198 0.000 2.814 237 Q HA 0.352 4.692 4.340 -0.000 0.000 0.322 237 Q C -1.564 174.561 176.000 0.208 0.000 0.888 237 Q CA -1.298 54.609 55.803 0.174 0.000 0.768 237 Q CB 1.621 30.427 28.738 0.113 0.000 1.443 237 Q HN 0.600 nan 8.270 nan 0.000 0.497 238 Q N 0.804 120.744 119.800 0.233 0.000 2.352 238 Q HA 0.284 4.624 4.340 -0.000 0.000 0.260 238 Q C -0.525 175.551 176.000 0.126 0.000 0.976 238 Q CA -0.325 55.621 55.803 0.239 0.000 0.881 238 Q CB 0.600 29.428 28.738 0.151 0.000 1.235 238 Q HN 0.564 nan 8.270 nan 0.000 0.419 239 I N 6.271 126.899 120.570 0.096 0.000 2.821 239 I HA -0.070 4.100 4.170 -0.000 0.000 0.294 239 I C -1.970 174.175 176.117 0.046 0.000 1.210 239 I CA -1.283 60.051 61.300 0.056 0.000 1.430 239 I CB 0.046 38.058 38.000 0.020 0.000 1.356 239 I HN 0.422 nan 8.210 nan 0.000 0.563 240 P HA 0.242 nan 4.420 nan 0.000 0.271 240 P C -0.874 176.424 177.300 -0.004 0.000 1.233 240 P CA 0.116 63.225 63.100 0.016 0.000 0.764 240 P CB 0.470 32.168 31.700 -0.004 0.000 0.825 241 L N 2.548 123.775 121.223 0.006 0.000 2.385 241 L HA 0.611 4.951 4.340 -0.000 0.000 0.273 241 L C 0.289 177.146 176.870 -0.022 0.000 0.990 241 L CA -1.134 53.704 54.840 -0.003 0.000 0.821 241 L CB 2.087 44.214 42.059 0.113 0.000 1.279 241 L HN 0.259 nan 8.230 nan 0.000 0.412 242 A N 3.458 126.213 122.820 -0.107 0.000 2.539 242 A HA 0.764 5.084 4.320 -0.000 0.000 0.306 242 A C 0.048 177.641 177.584 0.016 0.000 1.392 242 A CA 0.136 52.156 52.037 -0.028 0.000 1.060 242 A CB -0.203 18.736 19.000 -0.102 0.000 1.134 242 A HN 0.824 nan 8.150 nan 0.000 0.542 243 A N 2.161 124.966 122.820 -0.025 0.000 2.586 243 A HA 0.687 5.007 4.320 -0.000 0.000 0.296 243 A C -0.529 176.921 177.584 -0.223 0.000 1.040 243 A CA -0.459 51.458 52.037 -0.200 0.000 0.701 243 A CB 0.637 19.357 19.000 -0.467 0.000 1.277 243 A HN 0.730 nan 8.150 nan 0.000 0.413 244 T N 1.606 115.992 114.554 -0.279 0.000 2.847 244 T HA 0.462 4.812 4.350 -0.000 0.000 0.291 244 T C -0.033 174.486 174.700 -0.301 0.000 0.998 244 T CA -0.395 61.573 62.100 -0.220 0.000 0.967 244 T CB 1.080 69.882 68.868 -0.109 0.000 0.954 244 T HN 0.732 nan 8.240 nan 0.000 0.441 245 R N 2.473 122.778 120.500 -0.326 0.000 2.442 245 R HA 0.217 4.557 4.340 -0.000 0.000 0.291 245 R C 0.860 177.053 176.300 -0.178 0.000 1.069 245 R CA -0.231 55.672 56.100 -0.329 0.000 1.022 245 R CB 0.370 30.443 30.300 -0.378 0.000 0.976 245 R HN 0.422 nan 8.270 nan 0.000 0.443 246 R N 1.192 121.639 120.500 -0.089 0.000 2.250 246 R HA 0.134 4.474 4.340 -0.000 0.000 0.194 246 R C 0.177 176.468 176.300 -0.015 0.000 0.927 246 R CA 0.619 56.715 56.100 -0.007 0.000 1.052 246 R CB 0.480 30.849 30.300 0.115 0.000 1.055 246 R HN 0.760 nan 8.270 nan 0.000 0.537 247 S N -1.326 114.367 115.700 -0.012 0.000 2.643 247 S HA 0.380 4.850 4.470 -0.000 0.000 0.270 247 S C -2.652 171.913 174.600 -0.058 0.000 1.166 247 S CA -1.045 57.141 58.200 -0.025 0.000 0.815 247 S CB 2.234 65.442 63.200 0.014 0.000 1.139 247 S HN -0.285 nan 8.310 nan 0.000 0.472 248 P HA 0.052 nan 4.420 nan 0.000 0.225 248 P C 0.907 178.175 177.300 -0.053 0.000 1.148 248 P CA 1.537 64.593 63.100 -0.075 0.000 0.779 248 P CB -0.116 31.561 31.700 -0.039 0.000 0.780 249 T N -6.742 107.813 114.554 0.002 0.000 3.111 249 T HA 0.299 4.649 4.350 -0.000 0.000 0.284 249 T C -0.242 174.515 174.700 0.095 0.000 0.983 249 T CA -0.340 61.784 62.100 0.040 0.000 0.900 249 T CB -0.549 68.362 68.868 0.072 0.000 1.132 249 T HN -0.120 nan 8.240 nan 0.000 0.531 250 F N 1.462 121.347 119.950 -0.108 0.000 2.573 250 F HA 0.659 5.186 4.527 -0.000 0.000 0.316 250 F C -1.667 174.001 175.800 -0.220 0.000 1.148 250 F CA -1.028 56.904 58.000 -0.114 0.000 0.940 250 F CB 1.959 40.908 39.000 -0.084 0.000 1.214 250 F HN -0.119 nan 8.300 nan 0.000 0.448 251 V N 5.196 124.556 119.914 -0.922 0.000 2.448 251 V HA 0.264 4.384 4.120 -0.000 0.000 0.295 251 V C -0.365 175.069 176.094 -1.099 0.000 1.025 251 V CA -0.818 60.914 62.300 -0.947 0.000 0.859 251 V CB 1.673 32.796 31.823 -1.167 0.000 0.988 251 V HN 0.735 nan 8.190 nan 0.000 0.431 252 E N 4.686 124.528 120.200 -0.597 0.000 1.865 252 E HA 0.125 4.475 4.350 -0.000 0.000 0.269 252 E C -0.943 175.429 176.600 -0.380 0.000 1.177 252 E CA -0.540 55.681 56.400 -0.298 0.000 0.932 252 E CB 0.328 30.021 29.700 -0.011 0.000 1.066 252 E HN 0.628 nan 8.360 nan 0.000 0.405 253 W N 2.695 123.861 121.300 -0.223 0.000 2.210 253 W HA 0.052 4.712 4.660 -0.000 0.000 0.330 253 W C 0.702 177.224 176.519 0.006 0.000 1.334 253 W CA -0.473 56.724 57.345 -0.246 0.000 1.227 253 W CB 0.662 29.732 29.460 -0.651 0.000 1.178 253 W HN 0.285 nan 8.180 nan 0.000 0.560 254 S N 1.815 117.709 115.700 0.322 0.000 2.614 254 S HA 0.623 5.093 4.470 -0.000 0.000 0.265 254 S C 0.185 175.215 174.600 0.716 0.000 1.303 254 S CA -0.565 57.899 58.200 0.441 0.000 1.000 254 S CB 1.196 64.655 63.200 0.431 0.000 0.935 254 S HN 0.525 nan 8.310 nan 0.000 0.551 255 S N -0.283 115.784 115.700 0.610 0.000 2.724 255 S HA 0.676 5.146 4.470 -0.000 0.000 0.278 255 S C 0.735 175.533 174.600 0.331 0.000 1.190 255 S CA -0.320 58.178 58.200 0.497 0.000 0.860 255 S CB 0.498 63.914 63.200 0.360 0.000 1.206 255 S HN 0.702 nan 8.310 nan 0.000 0.507 256 A N 1.489 124.400 122.820 0.152 0.000 1.940 256 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 256 A C 1.982 179.622 177.584 0.092 0.000 1.176 256 A CA 1.953 54.039 52.037 0.082 0.000 0.631 256 A CB -1.494 17.520 19.000 0.024 0.000 0.814 256 A HN 0.847 nan 8.150 nan 0.000 0.446 257 N N -0.299 118.462 118.700 0.102 0.000 2.192 257 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 257 N C 1.512 177.061 175.510 0.065 0.000 1.013 257 N CA 2.080 55.170 53.050 0.067 0.000 0.863 257 N CB -0.210 38.322 38.487 0.076 0.000 0.990 257 N HN 0.475 nan 8.380 nan 0.000 0.430 258 T N 0.456 115.094 114.554 0.139 0.000 2.746 258 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 258 T C 2.100 176.843 174.700 0.073 0.000 1.039 258 T CA 1.099 63.282 62.100 0.138 0.000 1.142 258 T CB -0.293 68.731 68.868 0.259 0.000 0.866 258 T HN 0.042 nan 8.240 nan 0.000 0.444 259 V N -0.268 119.673 119.914 0.045 0.000 2.295 259 V HA 0.081 4.201 4.120 -0.000 0.000 0.246 259 V C 0.555 176.624 176.094 -0.041 0.000 1.049 259 V CA 1.137 63.388 62.300 -0.083 0.000 1.024 259 V CB -0.385 31.332 31.823 -0.176 0.000 0.648 259 V HN 0.507 nan 8.190 nan 0.000 0.447 260 F N 0.508 120.338 119.950 -0.199 0.000 2.623 260 F HA 0.357 4.884 4.527 -0.000 0.000 0.323 260 F C 0.112 175.800 175.800 -0.185 0.000 1.158 260 F CA -1.502 56.350 58.000 -0.246 0.000 1.030 260 F CB 1.315 40.120 39.000 -0.326 0.000 1.280 260 F HN 0.148 nan 8.300 nan 0.000 0.474 261 D N 4.705 124.714 120.400 -0.652 0.000 2.363 261 D HA -0.027 4.613 4.640 -0.000 0.000 0.220 261 D C 1.214 177.277 176.300 -0.395 0.000 0.994 261 D CA 1.095 54.848 54.000 -0.411 0.000 0.890 261 D CB -0.004 40.583 40.800 -0.355 0.000 0.906 261 D HN 0.682 nan 8.370 nan 0.000 0.530 262 L N -1.816 119.008 121.223 -0.664 0.000 4.696 262 L HA -0.239 4.101 4.340 -0.000 0.000 0.425 262 L C -0.176 176.643 176.870 -0.086 0.000 1.115 262 L CA 0.432 55.120 54.840 -0.254 0.000 0.996 262 L CB -1.395 40.686 42.059 0.037 0.000 2.077 262 L HN 0.222 nan 8.230 nan 0.000 0.792 263 Q N 0.993 120.645 119.800 -0.248 0.000 2.337 263 Q HA 0.170 4.510 4.340 -0.000 0.000 0.270 263 Q C 0.427 176.481 176.000 0.091 0.000 1.002 263 Q CA -0.022 55.730 55.803 -0.085 0.000 0.888 263 Q CB 0.515 29.172 28.738 -0.136 0.000 1.222 263 Q HN 0.136 nan 8.270 nan 0.000 0.400 264 N N 2.081 120.845 118.700 0.106 0.000 2.407 264 N HA 0.037 4.777 4.740 -0.000 0.000 0.250 264 N C -0.337 175.242 175.510 0.115 0.000 1.236 264 N CA 0.500 53.621 53.050 0.119 0.000 0.879 264 N CB 0.528 38.995 38.487 -0.034 0.000 1.088 264 N HN 0.252 nan 8.380 nan 0.000 0.450 265 R N 1.749 122.355 120.500 0.178 0.000 2.750 265 R HA 0.507 4.847 4.340 -0.000 0.000 0.281 265 R C -2.439 173.946 176.300 0.141 0.000 0.972 265 R CA -1.572 54.616 56.100 0.148 0.000 0.912 265 R CB 1.808 32.222 30.300 0.189 0.000 1.187 265 R HN 0.358 nan 8.270 nan 0.000 0.464 266 P HA 0.189 nan 4.420 nan 0.000 0.277 266 P C -1.315 176.033 177.300 0.080 0.000 1.240 266 P CA -0.400 62.783 63.100 0.139 0.000 0.798 266 P CB 0.713 32.531 31.700 0.197 0.000 0.979 267 N N -1.767 116.965 118.700 0.053 0.000 2.823 267 N HA 0.160 4.900 4.740 -0.000 0.000 0.251 267 N C 0.375 175.888 175.510 0.006 0.000 1.392 267 N CA -0.699 52.364 53.050 0.021 0.000 0.864 267 N CB -0.463 38.026 38.487 0.003 0.000 1.481 267 N HN 0.040 nan 8.380 nan 0.000 0.508 268 T N -0.513 114.039 114.554 -0.003 0.000 2.685 268 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 268 T C 0.257 174.947 174.700 -0.018 0.000 1.034 268 T CA 2.178 64.272 62.100 -0.009 0.000 1.149 268 T CB -0.562 68.299 68.868 -0.013 0.000 0.860 268 T HN 0.751 nan 8.240 nan 0.000 0.449 269 D N 0.877 121.262 120.400 -0.026 0.000 2.340 269 D HA 0.350 4.990 4.640 -0.000 0.000 0.220 269 D C 0.429 176.710 176.300 -0.032 0.000 1.039 269 D CA 0.089 54.070 54.000 -0.032 0.000 0.866 269 D CB 0.105 40.881 40.800 -0.041 0.000 0.913 269 D HN 0.421 nan 8.370 nan 0.000 0.523 270 A N 1.528 124.335 122.820 -0.022 0.000 3.158 270 A HA 0.404 4.724 4.320 -0.000 0.000 0.302 270 A C -2.251 175.336 177.584 0.005 0.000 1.162 270 A CA -0.883 51.146 52.037 -0.013 0.000 0.824 270 A CB 1.249 20.245 19.000 -0.006 0.000 1.322 270 A HN -0.173 nan 8.150 nan 0.000 0.510 271 P HA 0.005 nan 4.420 nan 0.000 0.233 271 P C 0.562 177.827 177.300 -0.057 0.000 1.167 271 P CA 1.243 64.335 63.100 -0.014 0.000 0.770 271 P CB 0.527 32.200 31.700 -0.046 0.000 0.837 272 E N -0.754 119.381 120.200 -0.110 0.000 2.538 272 E HA 0.138 4.488 4.350 -0.000 0.000 0.207 272 E C 0.119 176.724 176.600 0.008 0.000 1.002 272 E CA 0.016 56.254 56.400 -0.269 0.000 0.952 272 E CB 0.203 29.707 29.700 -0.327 0.000 1.031 272 E HN 0.348 nan 8.360 nan 0.000 0.476 273 E N 0.199 120.470 120.200 0.119 0.000 2.222 273 E HA 0.531 4.881 4.350 -0.000 0.000 0.267 273 E C -0.424 176.329 176.600 0.255 0.000 0.963 273 E CA -0.756 55.749 56.400 0.175 0.000 0.837 273 E CB 1.696 31.474 29.700 0.130 0.000 1.183 273 E HN -0.137 nan 8.360 nan 0.000 0.403 274 R N 1.795 122.448 120.500 0.255 0.000 2.473 274 R HA 0.444 4.784 4.340 -0.000 0.000 0.303 274 R C -1.562 174.911 176.300 0.288 0.000 1.002 274 R CA -0.519 55.721 56.100 0.233 0.000 0.884 274 R CB 1.004 31.411 30.300 0.179 0.000 1.173 274 R HN 0.409 nan 8.270 nan 0.000 0.464 275 F N 2.150 122.145 119.950 0.075 0.000 2.615 275 F HA 0.444 4.971 4.527 -0.000 0.000 0.312 275 F C -1.763 173.997 175.800 -0.066 0.000 1.119 275 F CA -0.609 57.409 58.000 0.030 0.000 0.979 275 F CB 2.019 41.102 39.000 0.139 0.000 1.266 275 F HN 0.408 nan 8.300 nan 0.000 0.444 276 N N 4.623 122.672 118.700 -1.084 0.000 2.295 276 N HA 0.591 5.331 4.740 -0.000 0.000 0.293 276 N C -2.011 172.471 175.510 -1.714 0.000 1.040 276 N CA -0.688 51.669 53.050 -1.154 0.000 0.840 276 N CB 2.455 40.450 38.487 -0.819 0.000 1.468 276 N HN 0.615 nan 8.380 nan 0.000 0.478 277 L N 2.167 122.618 121.223 -1.287 0.000 2.307 277 L HA 0.656 4.996 4.340 -0.000 0.000 0.282 277 L C -1.613 174.669 176.870 -0.979 0.000 1.051 277 L CA -0.142 54.152 54.840 -0.909 0.000 0.804 277 L CB 0.184 42.082 42.059 -0.269 0.000 1.197 277 L HN 0.468 nan 8.230 nan 0.000 0.431 278 F N 6.059 125.779 119.950 -0.383 0.000 2.552 278 F HA 0.529 5.056 4.527 -0.000 0.000 0.369 278 F C -2.182 173.576 175.800 -0.069 0.000 1.112 278 F CA -1.995 55.873 58.000 -0.220 0.000 1.129 278 F CB 0.777 39.637 39.000 -0.233 0.000 1.360 278 F HN 0.410 nan 8.300 nan 0.000 0.473 279 P HA 0.312 nan 4.420 nan 0.000 0.276 279 P C -0.019 177.332 177.300 0.084 0.000 1.261 279 P CA -0.273 62.866 63.100 0.066 0.000 0.800 279 P CB 0.997 32.717 31.700 0.033 0.000 1.066 280 A N -1.126 121.727 122.820 0.056 0.000 2.687 280 A HA -0.089 4.231 4.320 -0.000 0.000 0.299 280 A C -0.087 177.512 177.584 0.025 0.000 1.497 280 A CA 0.765 52.824 52.037 0.037 0.000 0.751 280 A CB -2.408 16.614 19.000 0.036 0.000 1.048 280 A HN 0.253 nan 8.150 nan 0.000 0.464 281 V N -0.289 119.651 119.914 0.044 0.000 2.409 281 V HA 0.661 4.781 4.120 -0.000 0.000 0.290 281 V C 0.596 176.667 176.094 -0.038 0.000 1.017 281 V CA -0.378 61.933 62.300 0.018 0.000 0.841 281 V CB 1.499 33.404 31.823 0.136 0.000 1.003 281 V HN 1.495 nan 8.190 nan 0.000 0.426 282 A N 4.185 126.957 122.820 -0.079 0.000 2.396 282 A HA 0.448 4.768 4.320 -0.000 0.000 0.279 282 A C 0.211 177.743 177.584 -0.087 0.000 1.165 282 A CA -0.155 51.824 52.037 -0.096 0.000 0.824 282 A CB -0.197 18.785 19.000 -0.030 0.000 1.100 282 A HN 0.893 nan 8.150 nan 0.000 0.516 283 C N 2.758 121.987 119.300 -0.120 0.000 2.415 283 C HA 0.412 4.872 4.460 -0.000 0.000 0.369 283 C C 1.301 176.245 174.990 -0.077 0.000 1.279 283 C CA -0.293 58.652 59.018 -0.122 0.000 1.886 283 C CB -0.203 27.459 27.740 -0.131 0.000 2.468 283 C HN 1.016 nan 8.230 nan 0.000 0.553 284 E N 0.488 120.670 120.200 -0.029 0.000 2.399 284 E HA 0.127 4.477 4.350 -0.000 0.000 0.206 284 E C 0.537 177.136 176.600 -0.001 0.000 0.812 284 E CA 0.088 56.493 56.400 0.008 0.000 1.138 284 E CB 0.687 30.444 29.700 0.095 0.000 1.140 284 E HN 0.655 nan 8.360 nan 0.000 0.536 285 R N 1.027 121.536 120.500 0.016 0.000 2.604 285 R HA 0.276 4.616 4.340 -0.000 0.000 0.270 285 R C -1.502 174.779 176.300 -0.031 0.000 1.052 285 R CA -0.547 55.543 56.100 -0.018 0.000 0.902 285 R CB 1.760 32.032 30.300 -0.047 0.000 1.233 285 R HN -0.050 nan 8.270 nan 0.000 0.455 286 V N 1.449 121.326 119.914 -0.061 0.000 2.439 286 V HA 0.561 4.681 4.120 -0.000 0.000 0.282 286 V C -0.174 175.861 176.094 -0.099 0.000 1.039 286 V CA -0.784 61.443 62.300 -0.122 0.000 0.913 286 V CB 1.585 33.292 31.823 -0.193 0.000 0.983 286 V HN 0.443 nan 8.190 nan 0.000 0.460 287 V N 5.929 125.768 119.914 -0.124 0.000 2.389 287 V HA 0.370 4.490 4.120 -0.000 0.000 0.264 287 V C 0.784 176.843 176.094 -0.059 0.000 1.049 287 V CA -0.280 61.970 62.300 -0.083 0.000 0.932 287 V CB 0.379 32.169 31.823 -0.055 0.000 1.011 287 V HN 0.903 nan 8.190 nan 0.000 0.475 288 R N 4.053 124.532 120.500 -0.035 0.000 2.438 288 R HA 0.243 4.583 4.340 -0.000 0.000 0.287 288 R C 0.382 176.712 176.300 0.051 0.000 1.077 288 R CA -0.523 55.616 56.100 0.065 0.000 1.034 288 R CB 0.605 30.909 30.300 0.007 0.000 0.993 288 R HN 0.862 nan 8.270 nan 0.000 0.459 289 N N 1.766 120.516 118.700 0.084 0.000 2.415 289 N HA -0.022 4.718 4.740 -0.000 0.000 0.248 289 N C 0.654 176.161 175.510 -0.006 0.000 1.271 289 N CA 0.210 53.276 53.050 0.025 0.000 0.913 289 N CB 0.569 39.068 38.487 0.019 0.000 1.129 289 N HN 0.581 nan 8.380 nan 0.000 0.444 290 A N 1.144 123.952 122.820 -0.020 0.000 1.986 290 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 290 A C 2.061 179.615 177.584 -0.051 0.000 1.171 290 A CA 1.179 53.196 52.037 -0.033 0.000 0.640 290 A CB -0.830 18.153 19.000 -0.027 0.000 0.811 290 A HN 0.686 nan 8.150 nan 0.000 0.451 291 L N -1.022 120.163 121.223 -0.064 0.000 2.554 291 L HA 0.003 4.343 4.340 -0.000 0.000 0.226 291 L C 0.020 176.788 176.870 -0.170 0.000 1.137 291 L CA -0.063 54.720 54.840 -0.094 0.000 0.863 291 L CB -0.414 41.594 42.059 -0.085 0.000 0.985 291 L HN 0.390 nan 8.230 nan 0.000 0.451 292 N N 0.346 118.929 118.700 -0.196 0.000 2.714 292 N HA -0.182 4.558 4.740 -0.000 0.000 0.253 292 N C 0.838 175.732 175.510 -1.028 0.000 1.024 292 N CA 1.056 53.833 53.050 -0.456 0.000 0.726 292 N CB -1.151 37.198 38.487 -0.231 0.000 0.908 292 N HN 0.541 nan 8.380 nan 0.000 0.542 293 S N -2.095 113.166 115.700 -0.732 0.000 2.687 293 S HA 0.285 4.755 4.470 -0.000 0.000 0.247 293 S C 0.268 174.690 174.600 -0.296 0.000 1.050 293 S CA -0.161 57.706 58.200 -0.556 0.000 1.063 293 S CB 1.588 64.650 63.200 -0.231 0.000 1.039 293 S HN 0.424 nan 8.310 nan 0.000 0.580 294 E N 0.158 120.307 120.200 -0.085 0.000 2.388 294 E HA 0.409 4.759 4.350 -0.000 0.000 0.280 294 E C -1.819 175.001 176.600 0.367 0.000 1.019 294 E CA -0.847 55.703 56.400 0.250 0.000 0.806 294 E CB 1.177 30.964 29.700 0.144 0.000 1.246 294 E HN 0.080 nan 8.360 nan 0.000 0.443 295 I N 3.504 124.225 120.570 0.251 0.000 2.342 295 I HA 0.145 4.315 4.170 -0.000 0.000 0.291 295 I C 0.888 176.959 176.117 -0.077 0.000 1.010 295 I CA 0.112 61.368 61.300 -0.073 0.000 1.308 295 I CB 1.185 38.895 38.000 -0.484 0.000 1.400 295 I HN 0.677 nan 8.210 nan 0.000 0.488 296 E N 3.301 123.462 120.200 -0.065 0.000 2.340 296 E HA 0.079 4.429 4.350 -0.000 0.000 0.198 296 E C 0.460 177.119 176.600 0.098 0.000 0.961 296 E CA 0.407 56.842 56.400 0.058 0.000 0.905 296 E CB 0.600 30.330 29.700 0.051 0.000 0.884 296 E HN 0.726 nan 8.360 nan 0.000 0.491 297 S N -0.506 115.179 115.700 -0.025 0.000 2.661 297 S HA 0.507 4.977 4.470 -0.000 0.000 0.268 297 S C -1.665 172.939 174.600 0.006 0.000 1.162 297 S CA -1.026 57.239 58.200 0.108 0.000 0.817 297 S CB 1.219 64.499 63.200 0.134 0.000 1.141 297 S HN 0.007 nan 8.310 nan 0.000 0.477 298 L N 1.891 123.205 121.223 0.153 0.000 2.349 298 L HA 0.650 4.989 4.340 -0.000 0.000 0.278 298 L C -0.930 175.970 176.870 0.050 0.000 0.996 298 L CA -0.169 54.716 54.840 0.075 0.000 0.825 298 L CB 1.237 43.372 42.059 0.126 0.000 1.243 298 L HN 0.998 nan 8.230 nan 0.000 0.412 299 H N 5.222 124.256 119.070 -0.059 0.000 2.620 299 H HA 0.660 5.216 4.556 -0.000 0.000 0.313 299 H C -0.493 174.786 175.328 -0.083 0.000 1.075 299 H CA 0.117 56.135 56.048 -0.050 0.000 1.397 299 H CB 0.685 30.420 29.762 -0.046 0.000 1.446 299 H HN 0.657 nan 8.280 nan 0.000 0.493 300 I N 1.121 121.516 120.570 -0.292 0.000 2.934 300 I HA 0.410 4.580 4.170 -0.000 0.000 0.306 300 I C -1.266 174.778 176.117 -0.122 0.000 1.110 300 I CA -0.989 60.171 61.300 -0.234 0.000 1.019 300 I CB 2.701 40.468 38.000 -0.388 0.000 1.227 300 I HN 0.629 nan 8.210 nan 0.000 0.434 301 H N 2.963 121.951 119.070 -0.137 0.000 2.800 301 H HA 0.235 4.791 4.556 -0.000 0.000 0.322 301 H C -1.491 173.842 175.328 0.008 0.000 0.979 301 H CA -0.678 55.341 56.048 -0.048 0.000 1.277 301 H CB 1.404 31.151 29.762 -0.025 0.000 1.484 301 H HN 0.785 nan 8.280 nan 0.000 0.512 302 D N 5.487 125.907 120.400 0.033 0.000 2.358 302 D HA -0.006 4.634 4.640 -0.000 0.000 0.258 302 D C 0.931 177.101 176.300 -0.217 0.000 1.223 302 D CA -0.043 53.931 54.000 -0.045 0.000 0.886 302 D CB 1.012 41.873 40.800 0.102 0.000 1.120 302 D HN 0.673 nan 8.370 nan 0.000 0.482 303 L N 4.105 125.197 121.223 -0.219 0.000 2.418 303 L HA -0.054 4.286 4.340 -0.000 0.000 0.218 303 L C 1.804 178.616 176.870 -0.095 0.000 1.125 303 L CA 0.003 54.691 54.840 -0.252 0.000 0.835 303 L CB 0.001 41.996 42.059 -0.108 0.000 0.953 303 L HN 0.496 nan 8.230 nan 0.000 0.454 304 I N -0.530 120.019 120.570 -0.036 0.000 2.339 304 I HA -0.121 4.049 4.170 -0.000 0.000 0.245 304 I C 2.692 178.821 176.117 0.019 0.000 1.096 304 I CA 1.520 62.823 61.300 0.005 0.000 1.408 304 I CB -1.199 36.816 38.000 0.024 0.000 1.092 304 I HN 0.248 nan 8.210 nan 0.000 0.423 305 S N 0.265 115.986 115.700 0.035 0.000 2.478 305 S HA 0.171 4.641 4.470 -0.000 0.000 0.222 305 S C 1.832 176.471 174.600 0.065 0.000 1.008 305 S CA 0.766 59.001 58.200 0.059 0.000 0.928 305 S CB 0.188 63.446 63.200 0.097 0.000 0.781 305 S HN 0.574 nan 8.310 nan 0.000 0.518 306 G N 0.935 109.774 108.800 0.065 0.000 2.217 306 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.246 306 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.246 306 G C -0.379 174.655 174.900 0.223 0.000 0.990 306 G CA 0.164 45.362 45.100 0.162 0.000 0.627 306 G HN 0.558 nan 8.290 nan 0.000 0.522 307 D N 0.654 121.143 120.400 0.148 0.000 2.341 307 D HA 0.559 5.199 4.640 -0.000 0.000 0.245 307 D C 0.935 177.274 176.300 0.065 0.000 1.106 307 D CA 0.083 54.101 54.000 0.030 0.000 0.905 307 D CB 0.723 41.472 40.800 -0.084 0.000 1.202 307 D HN 0.390 nan 8.370 nan 0.000 0.426 308 R N 0.931 121.320 120.500 -0.184 0.000 2.732 308 R HA 0.683 5.023 4.340 -0.000 0.000 0.278 308 R C -0.727 175.317 176.300 -0.427 0.000 0.976 308 R CA -0.673 55.310 56.100 -0.194 0.000 0.963 308 R CB 1.373 31.528 30.300 -0.242 0.000 1.150 308 R HN 0.318 nan 8.270 nan 0.000 0.478 309 F N -0.237 119.554 119.950 -0.265 0.000 2.645 309 F HA 0.267 4.794 4.527 -0.000 0.000 0.310 309 F C -0.282 175.403 175.800 -0.191 0.000 1.102 309 F CA -1.044 56.853 58.000 -0.172 0.000 0.952 309 F CB 2.066 40.977 39.000 -0.147 0.000 1.326 309 F HN 0.150 nan 8.300 nan 0.000 0.456 310 E N 2.595 122.874 120.200 0.132 0.000 2.133 310 E HA 0.399 4.749 4.350 -0.000 0.000 0.274 310 E C -0.800 175.872 176.600 0.121 0.000 0.930 310 E CA -0.496 55.977 56.400 0.121 0.000 0.770 310 E CB 1.602 31.382 29.700 0.134 0.000 1.104 310 E HN 0.275 nan 8.360 nan 0.000 0.403 311 I N 2.403 123.027 120.570 0.089 0.000 2.385 311 I HA 0.253 4.423 4.170 -0.000 0.000 0.294 311 I C 0.445 176.685 176.117 0.205 0.000 0.988 311 I CA -0.908 60.467 61.300 0.125 0.000 1.265 311 I CB 1.005 39.042 38.000 0.061 0.000 1.388 311 I HN 0.243 nan 8.210 nan 0.000 0.480 312 K N 4.901 125.419 120.400 0.197 0.000 2.206 312 K HA 0.796 5.116 4.320 -0.000 0.000 0.264 312 K C -1.063 175.609 176.600 0.119 0.000 0.967 312 K CA -0.301 56.105 56.287 0.199 0.000 0.844 312 K CB 1.545 34.126 32.500 0.135 0.000 1.099 312 K HN 0.791 nan 8.250 nan 0.000 0.441 313 A N 2.992 125.785 122.820 -0.044 0.000 2.527 313 A HA 0.398 4.718 4.320 -0.000 0.000 0.293 313 A C -0.354 177.089 177.584 -0.235 0.000 1.117 313 A CA -0.702 51.182 52.037 -0.255 0.000 0.723 313 A CB 1.041 19.672 19.000 -0.615 0.000 1.313 313 A HN 0.783 nan 8.150 nan 0.000 0.411 314 D N -0.405 119.918 120.400 -0.129 0.000 2.117 314 D HA 0.044 4.684 4.640 -0.000 0.000 0.198 314 D C 0.372 176.563 176.300 -0.183 0.000 0.982 314 D CA 1.780 55.759 54.000 -0.035 0.000 0.828 314 D CB 0.064 40.898 40.800 0.056 0.000 0.967 314 D HN 0.208 nan 8.370 nan 0.000 0.464 315 V N 0.443 120.110 119.914 -0.412 0.000 2.588 315 V HA 0.280 4.400 4.120 -0.000 0.000 0.304 315 V C -1.296 174.539 176.094 -0.432 0.000 1.042 315 V CA -0.846 61.201 62.300 -0.421 0.000 0.877 315 V CB 1.853 33.301 31.823 -0.625 0.000 0.996 315 V HN -0.047 nan 8.190 nan 0.000 0.425 316 Y N 3.005 123.282 120.300 -0.040 0.000 2.331 316 Y HA 0.670 5.220 4.550 -0.000 0.000 0.334 316 Y C -0.161 175.701 175.900 -0.064 0.000 0.960 316 Y CA -0.943 57.128 58.100 -0.048 0.000 1.130 316 Y CB 2.087 40.526 38.460 -0.035 0.000 1.164 316 Y HN 0.338 nan 8.280 nan 0.000 0.458 317 V N 5.514 125.393 119.914 -0.058 0.000 2.378 317 V HA 0.356 4.476 4.120 -0.000 0.000 0.288 317 V C -0.356 175.605 176.094 -0.223 0.000 1.016 317 V CA -0.877 61.262 62.300 -0.268 0.000 0.840 317 V CB 1.474 32.898 31.823 -0.666 0.000 0.994 317 V HN 0.612 nan 8.190 nan 0.000 0.431 318 L N 5.367 126.463 121.223 -0.211 0.000 2.259 318 L HA 0.480 4.820 4.340 -0.000 0.000 0.288 318 L C 0.486 177.263 176.870 -0.155 0.000 1.051 318 L CA -0.117 54.620 54.840 -0.173 0.000 0.824 318 L CB 1.237 43.171 42.059 -0.208 0.000 1.206 318 L HN 0.798 nan 8.230 nan 0.000 0.429 319 T N -1.557 112.941 114.554 -0.094 0.000 3.516 319 T HA 0.381 4.731 4.350 -0.000 0.000 0.245 319 T C 0.710 175.423 174.700 0.023 0.000 1.077 319 T CA -0.208 61.881 62.100 -0.019 0.000 1.222 319 T CB 1.004 69.871 68.868 -0.002 0.000 1.045 319 T HN 0.541 nan 8.240 nan 0.000 0.585 320 A N 0.794 123.636 122.820 0.036 0.000 2.345 320 A HA 0.773 5.093 4.320 -0.000 0.000 0.225 320 A C 1.376 179.039 177.584 0.132 0.000 1.243 320 A CA 0.056 52.137 52.037 0.074 0.000 0.875 320 A CB -0.716 18.323 19.000 0.064 0.000 0.929 320 A HN 1.650 nan 8.150 nan 0.000 0.502 321 G N -2.422 106.453 108.800 0.125 0.000 2.707 321 G HA2 0.255 4.215 3.960 -0.000 0.000 0.686 321 G HA3 0.255 4.215 3.960 -0.000 0.000 0.686 321 G C 0.772 175.775 174.900 0.171 0.000 1.315 321 G CA -0.293 44.888 45.100 0.134 0.000 0.832 321 G HN 1.273 nan 8.290 nan 0.000 0.573 322 A N -0.532 122.375 122.820 0.145 0.000 1.933 322 A HA 0.208 4.528 4.320 -0.000 0.000 0.218 322 A C 2.694 180.380 177.584 0.170 0.000 1.175 322 A CA 3.175 55.303 52.037 0.152 0.000 0.628 322 A CB -0.430 18.631 19.000 0.102 0.000 0.814 322 A HN 1.610 nan 8.150 nan 0.000 0.444 323 V N -0.883 119.086 119.914 0.091 0.000 2.379 323 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 323 V C 2.203 178.371 176.094 0.123 0.000 1.044 323 V CA 2.274 64.606 62.300 0.054 0.000 1.036 323 V CB -0.941 30.785 31.823 -0.162 0.000 0.664 323 V HN 0.754 nan 8.190 nan 0.000 0.453 324 H N -0.954 118.199 119.070 0.138 0.000 2.520 324 H HA 0.054 4.610 4.556 -0.000 0.000 0.279 324 H C 2.219 177.546 175.328 -0.001 0.000 0.990 324 H CA 0.430 56.513 56.048 0.060 0.000 1.288 324 H CB 0.250 30.031 29.762 0.032 0.000 1.446 324 H HN 0.310 nan 8.280 nan 0.000 0.538 325 N N 0.124 118.908 118.700 0.140 0.000 2.104 325 N HA -0.129 4.611 4.740 -0.000 0.000 0.190 325 N C 1.721 177.216 175.510 -0.025 0.000 1.024 325 N CA 1.833 54.886 53.050 0.006 0.000 0.853 325 N CB -0.473 37.989 38.487 -0.041 0.000 1.008 325 N HN 0.310 nan 8.380 nan 0.000 0.424 326 T N 0.810 115.427 114.554 0.103 0.000 2.777 326 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 326 T C 1.857 176.418 174.700 -0.232 0.000 1.040 326 T CA 1.035 63.191 62.100 0.094 0.000 1.141 326 T CB -0.196 68.885 68.868 0.355 0.000 0.868 326 T HN 0.353 nan 8.240 nan 0.000 0.444 327 Q N 0.577 120.143 119.800 -0.389 0.000 2.030 327 Q HA -0.119 4.221 4.340 -0.000 0.000 0.204 327 Q C 2.331 178.048 176.000 -0.472 0.000 0.986 327 Q CA 1.400 56.661 55.803 -0.902 0.000 0.843 327 Q CB -0.364 28.192 28.738 -0.304 0.000 0.904 327 Q HN 0.505 nan 8.270 nan 0.000 0.420 328 L N 0.243 121.326 121.223 -0.234 0.000 2.046 328 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 328 L C 2.283 179.066 176.870 -0.146 0.000 1.077 328 L CA 1.116 55.859 54.840 -0.161 0.000 0.747 328 L CB -0.147 41.838 42.059 -0.123 0.000 0.896 328 L HN 0.350 nan 8.230 nan 0.000 0.432 329 L N -1.373 119.746 121.223 -0.173 0.000 2.046 329 L HA -0.209 4.130 4.340 -0.000 0.000 0.208 329 L C 2.366 179.268 176.870 0.053 0.000 1.077 329 L CA 0.832 55.602 54.840 -0.117 0.000 0.747 329 L CB -0.481 41.401 42.059 -0.295 0.000 0.896 329 L HN 0.094 nan 8.230 nan 0.000 0.432 330 V N -0.284 119.583 119.914 -0.079 0.000 2.667 330 V HA -0.195 3.925 4.120 -0.000 0.000 0.252 330 V C 2.025 178.094 176.094 -0.042 0.000 1.065 330 V CA 1.628 63.912 62.300 -0.027 0.000 1.083 330 V CB -0.624 31.150 31.823 -0.082 0.000 0.692 330 V HN 0.476 nan 8.190 nan 0.000 0.468 331 N N 0.195 118.828 118.700 -0.110 0.000 2.512 331 N HA -0.088 4.652 4.740 -0.000 0.000 0.183 331 N C 1.457 176.945 175.510 -0.036 0.000 1.073 331 N CA 1.043 54.050 53.050 -0.072 0.000 0.911 331 N CB 0.022 38.453 38.487 -0.093 0.000 0.964 331 N HN 0.392 nan 8.380 nan 0.000 0.447 332 S N -1.602 114.104 115.700 0.010 0.000 2.557 332 S HA 0.365 4.835 4.470 -0.000 0.000 0.223 332 S C 1.079 175.644 174.600 -0.058 0.000 0.969 332 S CA 0.141 58.348 58.200 0.011 0.000 0.927 332 S CB 0.720 63.980 63.200 0.100 0.000 0.806 332 S HN 0.509 nan 8.310 nan 0.000 0.489 333 G N 1.025 109.800 108.800 -0.042 0.000 2.179 333 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.220 333 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.220 333 G C -0.095 174.710 174.900 -0.159 0.000 0.990 333 G CA -0.644 44.381 45.100 -0.125 0.000 0.646 333 G HN 0.406 nan 8.290 nan 0.000 0.517 334 F N 0.958 120.884 119.950 -0.040 0.000 2.370 334 F HA 0.569 5.096 4.527 -0.000 0.000 0.324 334 F C 1.601 177.415 175.800 0.023 0.000 1.116 334 F CA 0.811 58.802 58.000 -0.016 0.000 1.123 334 F CB 0.964 39.925 39.000 -0.065 0.000 1.238 334 F HN 0.757 nan 8.300 nan 0.000 0.536 335 G N 1.658 110.606 108.800 0.248 0.000 2.574 335 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.282 335 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.282 335 G C -0.716 174.263 174.900 0.131 0.000 1.257 335 G CA 0.089 45.298 45.100 0.183 0.000 0.956 335 G HN 0.856 nan 8.290 nan 0.000 0.560 336 Q N -0.957 118.924 119.800 0.135 0.000 2.290 336 Q HA 0.590 4.930 4.340 -0.000 0.000 0.269 336 Q C -0.729 175.346 176.000 0.125 0.000 1.016 336 Q CA -1.015 54.844 55.803 0.094 0.000 0.754 336 Q CB 1.455 30.226 28.738 0.055 0.000 1.247 336 Q HN 0.806 nan 8.270 nan 0.000 0.451 337 L N 4.002 125.292 121.223 0.112 0.000 2.426 337 L HA 0.626 4.966 4.340 -0.000 0.000 0.271 337 L C 0.493 177.437 176.870 0.124 0.000 1.169 337 L CA 2.258 57.189 54.840 0.151 0.000 0.836 337 L CB 0.643 42.765 42.059 0.105 0.000 1.112 337 L HN 0.866 nan 8.230 nan 0.000 0.465 338 G N 3.916 112.844 108.800 0.214 0.000 2.685 338 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.387 338 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.387 338 G C -0.503 174.239 174.900 -0.262 0.000 1.324 338 G CA -0.172 44.997 45.100 0.115 0.000 0.878 338 G HN 0.943 nan 8.290 nan 0.000 0.527 339 R N 0.545 120.648 120.500 -0.662 0.000 2.623 339 R HA 0.403 4.743 4.340 -0.000 0.000 0.271 339 R C -2.028 173.791 176.300 -0.802 0.000 1.043 339 R CA -0.607 54.636 56.100 -1.428 0.000 1.083 339 R CB 0.060 29.848 30.300 -0.853 0.000 0.974 339 R HN 0.324 nan 8.270 nan 0.000 0.436 340 P HA 0.035 nan 4.420 nan 0.000 0.268 340 P C -1.383 175.762 177.300 -0.259 0.000 1.205 340 P CA 0.247 63.099 63.100 -0.413 0.000 0.771 340 P CB 0.471 31.969 31.700 -0.337 0.000 0.858 341 N N 3.176 121.780 118.700 -0.161 0.000 2.653 341 N HA 0.205 4.945 4.740 -0.000 0.000 0.261 341 N C -2.099 173.370 175.510 -0.067 0.000 1.216 341 N CA -1.686 51.299 53.050 -0.109 0.000 0.784 341 N CB 1.132 39.559 38.487 -0.100 0.000 1.327 341 N HN 0.069 nan 8.380 nan 0.000 0.539 342 P HA -0.007 nan 4.420 nan 0.000 0.226 342 P C 1.056 178.342 177.300 -0.023 0.000 1.153 342 P CA 0.512 63.593 63.100 -0.032 0.000 0.777 342 P CB 0.212 31.894 31.700 -0.029 0.000 0.794 343 A N -0.415 122.388 122.820 -0.028 0.000 2.125 343 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 343 A C 0.978 178.551 177.584 -0.017 0.000 1.156 343 A CA 0.982 53.006 52.037 -0.021 0.000 0.671 343 A CB -1.113 17.872 19.000 -0.023 0.000 0.794 343 A HN 0.311 nan 8.150 nan 0.000 0.459 344 N N 1.134 119.822 118.700 -0.019 0.000 2.851 344 N HA 0.251 4.991 4.740 -0.000 0.000 0.248 344 N C -3.075 172.432 175.510 -0.005 0.000 1.221 344 N CA -1.496 51.546 53.050 -0.013 0.000 0.847 344 N CB 1.196 39.672 38.487 -0.017 0.000 1.150 344 N HN 0.144 nan 8.380 nan 0.000 0.507 345 P HA 0.054 nan 4.420 nan 0.000 0.265 345 P C -2.394 174.916 177.300 0.018 0.000 1.193 345 P CA -0.611 62.497 63.100 0.014 0.000 0.765 345 P CB -0.019 31.690 31.700 0.015 0.000 0.823 346 P HA 0.106 nan 4.420 nan 0.000 0.272 346 P C 0.887 178.209 177.300 0.036 0.000 1.230 346 P CA -0.095 63.027 63.100 0.037 0.000 0.788 346 P CB 1.150 32.888 31.700 0.062 0.000 0.949 347 E N 0.835 121.050 120.200 0.025 0.000 2.047 347 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 347 E C 0.101 176.731 176.600 0.049 0.000 0.987 347 E CA 0.859 57.271 56.400 0.020 0.000 0.799 347 E CB 0.004 29.701 29.700 -0.005 0.000 0.752 347 E HN 0.381 nan 8.360 nan 0.000 0.449 348 L N 0.968 122.235 121.223 0.072 0.000 2.346 348 L HA 0.319 4.659 4.340 -0.000 0.000 0.276 348 L C -0.302 176.693 176.870 0.208 0.000 1.006 348 L CA -0.938 53.992 54.840 0.150 0.000 0.817 348 L CB 1.797 43.933 42.059 0.128 0.000 1.272 348 L HN 0.151 nan 8.230 nan 0.000 0.421 349 L N 3.230 124.593 121.223 0.233 0.000 3.826 349 L HA -0.180 4.160 4.340 -0.000 0.000 0.566 349 L C -1.588 175.390 176.870 0.180 0.000 1.217 349 L CA -0.544 54.431 54.840 0.225 0.000 0.823 349 L CB -0.881 41.336 42.059 0.264 0.000 1.381 349 L HN 0.576 nan 8.230 nan 0.000 0.825 350 P HA -0.090 nan 4.420 nan 0.000 0.225 350 P C 1.160 178.556 177.300 0.159 0.000 1.148 350 P CA 0.985 64.160 63.100 0.127 0.000 0.779 350 P CB 0.336 32.092 31.700 0.093 0.000 0.780 351 S N -0.713 115.094 115.700 0.179 0.000 2.556 351 S HA 0.099 4.569 4.470 -0.000 0.000 0.216 351 S C 0.714 175.465 174.600 0.252 0.000 0.970 351 S CA -0.452 57.894 58.200 0.243 0.000 0.912 351 S CB -0.603 62.722 63.200 0.208 0.000 0.790 351 S HN 0.066 nan 8.310 nan 0.000 0.504 352 L N 2.554 123.909 121.223 0.220 0.000 2.499 352 L HA 0.436 4.776 4.340 -0.000 0.000 0.273 352 L C 1.156 178.174 176.870 0.246 0.000 1.195 352 L CA 1.131 56.105 54.840 0.224 0.000 0.882 352 L CB -0.350 41.829 42.059 0.200 0.000 1.133 352 L HN 0.353 nan 8.230 nan 0.000 0.483 353 G N 2.506 111.462 108.800 0.261 0.000 2.175 353 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.265 353 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.265 353 G C 0.434 175.468 174.900 0.224 0.000 0.979 353 G CA 0.493 45.746 45.100 0.256 0.000 0.663 353 G HN 0.842 nan 8.290 nan 0.000 0.533 354 S N -1.635 114.210 115.700 0.241 0.000 2.747 354 S HA 0.642 5.112 4.470 -0.000 0.000 0.300 354 S C 0.391 175.180 174.600 0.315 0.000 1.121 354 S CA 0.003 58.309 58.200 0.176 0.000 0.995 354 S CB 0.801 64.050 63.200 0.082 0.000 1.113 354 S HN 0.898 nan 8.310 nan 0.000 0.547 355 Y N -0.829 119.540 120.300 0.115 0.000 3.825 355 Y HA -0.204 4.346 4.550 -0.000 0.000 0.221 355 Y C 0.517 176.497 175.900 0.135 0.000 1.195 355 Y CA 0.144 58.310 58.100 0.110 0.000 1.699 355 Y CB -2.202 36.319 38.460 0.101 0.000 1.531 355 Y HN 0.577 nan 8.280 nan 0.000 0.640 356 I N -0.297 120.420 120.570 0.245 0.000 2.754 356 I HA 0.486 4.656 4.170 -0.000 0.000 0.285 356 I C 0.684 176.959 176.117 0.263 0.000 1.166 356 I CA 0.400 61.847 61.300 0.245 0.000 1.417 356 I CB 1.259 39.407 38.000 0.247 0.000 1.382 356 I HN 0.216 nan 8.210 nan 0.000 0.588 357 T N 1.697 116.373 114.554 0.203 0.000 2.893 357 T HA 0.720 5.070 4.350 -0.000 0.000 0.293 357 T C -0.710 174.019 174.700 0.048 0.000 1.027 357 T CA -0.685 61.517 62.100 0.170 0.000 0.988 357 T CB 2.109 71.026 68.868 0.082 0.000 1.043 357 T HN 0.860 nan 8.240 nan 0.000 0.461 358 E N 0.893 121.102 120.200 0.014 0.000 2.366 358 E HA 0.367 4.717 4.350 -0.000 0.000 0.278 358 E C -1.345 175.350 176.600 0.158 0.000 0.923 358 E CA -0.544 55.816 56.400 -0.066 0.000 0.761 358 E CB 2.136 31.586 29.700 -0.418 0.000 1.231 358 E HN 0.721 nan 8.360 nan 0.000 0.443 359 Q N 1.019 120.936 119.800 0.196 0.000 2.259 359 Q HA 0.480 4.820 4.340 -0.000 0.000 0.249 359 Q C -0.512 175.692 176.000 0.340 0.000 0.914 359 Q CA -0.593 55.381 55.803 0.286 0.000 0.904 359 Q CB 1.444 30.372 28.738 0.316 0.000 1.213 359 Q HN 0.458 nan 8.270 nan 0.000 0.428 360 S N 1.800 117.631 115.700 0.220 0.000 2.537 360 S HA 0.175 4.645 4.470 -0.000 0.000 0.286 360 S C -0.680 173.950 174.600 0.050 0.000 1.299 360 S CA -0.225 57.950 58.200 -0.042 0.000 1.067 360 S CB 0.164 63.249 63.200 -0.191 0.000 0.864 360 S HN 0.338 nan 8.310 nan 0.000 0.494 361 L N 6.017 127.232 121.223 -0.013 0.000 2.376 361 L HA 0.660 5.000 4.340 -0.000 0.000 0.275 361 L C -0.708 176.004 176.870 -0.263 0.000 0.987 361 L CA -0.674 54.063 54.840 -0.170 0.000 0.828 361 L CB 1.546 43.488 42.059 -0.195 0.000 1.249 361 L HN 0.435 nan 8.230 nan 0.000 0.409 362 V N 2.509 122.197 119.914 -0.376 0.000 2.547 362 V HA 0.748 4.868 4.120 -0.000 0.000 0.299 362 V C -0.950 174.995 176.094 -0.247 0.000 1.040 362 V CA -0.572 61.434 62.300 -0.491 0.000 0.913 362 V CB 1.515 32.862 31.823 -0.795 0.000 0.992 362 V HN 0.782 nan 8.190 nan 0.000 0.449 363 F N 5.545 125.279 119.950 -0.360 0.000 2.591 363 F HA 0.870 5.396 4.527 -0.000 0.000 0.309 363 F C -0.355 175.336 175.800 -0.182 0.000 1.098 363 F CA -0.159 57.726 58.000 -0.192 0.000 0.937 363 F CB 1.486 40.437 39.000 -0.082 0.000 1.250 363 F HN 1.197 nan 8.300 nan 0.000 0.447 364 C N 2.832 121.521 119.300 -1.018 0.000 3.314 364 C HA 0.832 5.292 4.460 -0.000 0.000 0.344 364 C C -1.706 172.811 174.990 -0.789 0.000 1.461 364 C CA -0.644 57.771 59.018 -1.005 0.000 1.249 364 C CB 1.722 29.110 27.740 -0.586 0.000 1.632 364 C HN 0.981 nan 8.230 nan 0.000 0.452 365 Q N 0.202 119.773 119.800 -0.382 0.000 2.456 365 Q HA 0.784 5.124 4.340 -0.000 0.000 0.283 365 Q C -0.868 175.191 176.000 0.099 0.000 1.084 365 Q CA -0.280 55.509 55.803 -0.024 0.000 0.801 365 Q CB 2.825 31.554 28.738 -0.015 0.000 1.434 365 Q HN 0.972 nan 8.270 nan 0.000 0.419 366 T N -2.719 111.959 114.554 0.207 0.000 2.906 366 T HA 0.710 5.060 4.350 -0.000 0.000 0.295 366 T C -0.706 174.063 174.700 0.114 0.000 1.075 366 T CA -0.696 61.491 62.100 0.145 0.000 1.005 366 T CB 1.285 70.251 68.868 0.162 0.000 1.136 366 T HN 0.258 nan 8.240 nan 0.000 0.498 367 V N 2.581 122.528 119.914 0.056 0.000 2.384 367 V HA 0.420 4.540 4.120 -0.000 0.000 0.287 367 V C 0.321 176.433 176.094 0.030 0.000 1.020 367 V CA -0.904 61.422 62.300 0.042 0.000 0.850 367 V CB 1.074 32.911 31.823 0.024 0.000 0.987 367 V HN 1.026 nan 8.190 nan 0.000 0.436 368 M N 4.831 124.458 119.600 0.045 0.000 2.248 368 M HA 0.072 4.552 4.480 -0.000 0.000 0.343 368 M C 0.912 177.224 176.300 0.020 0.000 1.243 368 M CA 0.727 56.053 55.300 0.044 0.000 1.025 368 M CB 0.547 33.171 32.600 0.040 0.000 1.759 368 M HN 0.945 nan 8.290 nan 0.000 0.452 369 S N 2.520 118.228 115.700 0.013 0.000 2.573 369 S HA 0.065 4.535 4.470 -0.000 0.000 0.277 369 S C 1.031 175.636 174.600 0.008 0.000 1.346 369 S CA -0.096 58.102 58.200 -0.002 0.000 1.034 369 S CB 0.439 63.633 63.200 -0.010 0.000 0.879 369 S HN 0.801 nan 8.310 nan 0.000 0.528 370 T N 1.929 116.484 114.554 0.002 0.000 2.720 370 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 370 T C 1.631 176.340 174.700 0.016 0.000 1.037 370 T CA 1.935 64.040 62.100 0.009 0.000 1.144 370 T CB -0.508 68.362 68.868 0.003 0.000 0.864 370 T HN 0.773 nan 8.240 nan 0.000 0.444 371 E N 0.743 120.949 120.200 0.010 0.000 2.058 371 E HA -0.074 4.276 4.350 -0.000 0.000 0.194 371 E C 2.301 178.921 176.600 0.033 0.000 0.997 371 E CA 0.909 57.318 56.400 0.015 0.000 0.801 371 E CB -0.316 29.386 29.700 0.003 0.000 0.746 371 E HN 0.429 nan 8.360 nan 0.000 0.450 372 L N 0.757 122.002 121.223 0.037 0.000 2.056 372 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 372 L C 2.461 179.377 176.870 0.076 0.000 1.078 372 L CA 0.502 55.380 54.840 0.063 0.000 0.749 372 L CB -0.316 41.780 42.059 0.062 0.000 0.901 372 L HN 0.193 nan 8.230 nan 0.000 0.433 373 I N 0.109 120.710 120.570 0.052 0.000 2.179 373 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 373 I C 2.187 178.340 176.117 0.059 0.000 1.088 373 I CA 1.503 62.830 61.300 0.045 0.000 1.357 373 I CB -1.197 36.819 38.000 0.026 0.000 1.051 373 I HN 0.278 nan 8.210 nan 0.000 0.409 374 D N 0.829 121.263 120.400 0.056 0.000 2.158 374 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 374 D C 2.313 178.668 176.300 0.092 0.000 0.995 374 D CA 1.771 55.808 54.000 0.062 0.000 0.846 374 D CB -0.190 40.637 40.800 0.044 0.000 0.941 374 D HN 0.405 nan 8.370 nan 0.000 0.456 375 S N -0.267 115.501 115.700 0.113 0.000 2.481 375 S HA -0.057 4.413 4.470 -0.000 0.000 0.231 375 S C 2.092 176.865 174.600 0.287 0.000 0.996 375 S CA 0.295 58.593 58.200 0.163 0.000 0.942 375 S CB -0.302 62.986 63.200 0.145 0.000 0.768 375 S HN 0.070 nan 8.310 nan 0.000 0.520 376 V N 2.829 122.879 119.914 0.227 0.000 2.407 376 V HA -0.139 3.981 4.120 -0.000 0.000 0.248 376 V C 2.157 178.403 176.094 0.253 0.000 1.055 376 V CA 2.039 64.502 62.300 0.272 0.000 1.049 376 V CB -0.651 31.236 31.823 0.107 0.000 0.662 376 V HN 0.777 nan 8.190 nan 0.000 0.455 377 K N 0.268 120.769 120.400 0.169 0.000 2.437 377 K HA 0.173 4.493 4.320 -0.000 0.000 0.205 377 K C 1.647 178.319 176.600 0.120 0.000 1.026 377 K CA 0.689 57.058 56.287 0.136 0.000 1.153 377 K CB 0.134 32.694 32.500 0.100 0.000 0.863 377 K HN 0.416 nan 8.250 nan 0.000 0.502 378 S N 1.042 116.829 115.700 0.146 0.000 2.400 378 S HA -0.183 4.287 4.470 -0.000 0.000 0.232 378 S C 0.985 175.606 174.600 0.035 0.000 1.025 378 S CA 1.376 59.620 58.200 0.073 0.000 0.993 378 S CB -0.281 62.937 63.200 0.030 0.000 0.808 378 S HN 0.298 nan 8.310 nan 0.000 0.478 379 D N 0.712 121.143 120.400 0.052 0.000 2.328 379 D HA 0.252 4.892 4.640 -0.000 0.000 0.221 379 D C -0.069 176.275 176.300 0.072 0.000 1.072 379 D CA 0.224 54.242 54.000 0.028 0.000 0.850 379 D CB -0.004 40.798 40.800 0.004 0.000 0.922 379 D HN 0.355 nan 8.370 nan 0.000 0.516 380 M N 0.414 120.057 119.600 0.071 0.000 2.233 380 M HA 0.223 4.703 4.480 -0.000 0.000 0.355 380 M C 0.211 176.541 176.300 0.049 0.000 1.191 380 M CA -0.187 55.161 55.300 0.080 0.000 1.101 380 M CB 1.232 33.873 32.600 0.068 0.000 1.592 380 M HN -0.341 nan 8.290 nan 0.000 0.461 381 T N 4.988 119.566 114.554 0.039 0.000 2.744 381 T HA 0.656 5.006 4.350 -0.000 0.000 0.291 381 T C 0.139 174.823 174.700 -0.026 0.000 0.957 381 T CA -0.295 61.809 62.100 0.007 0.000 1.002 381 T CB 0.316 69.184 68.868 -0.001 0.000 0.919 381 T HN 0.424 nan 8.240 nan 0.000 0.468 382 I N 4.004 124.560 120.570 -0.022 0.000 2.404 382 I HA 0.502 4.672 4.170 -0.000 0.000 0.293 382 I C 0.254 176.354 176.117 -0.030 0.000 0.992 382 I CA -0.906 60.362 61.300 -0.054 0.000 1.149 382 I CB 1.614 39.621 38.000 0.011 0.000 1.315 382 I HN 0.315 nan 8.210 nan 0.000 0.446 383 R N 4.174 124.636 120.500 -0.064 0.000 2.480 383 R HA 0.685 5.025 4.340 -0.000 0.000 0.306 383 R C 0.205 176.543 176.300 0.064 0.000 0.958 383 R CA -0.486 55.611 56.100 -0.004 0.000 0.861 383 R CB 2.012 32.299 30.300 -0.021 0.000 1.171 383 R HN 0.931 nan 8.270 nan 0.000 0.445 384 G N 1.531 110.387 108.800 0.094 0.000 2.553 384 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.242 384 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.242 384 G C -0.424 174.595 174.900 0.199 0.000 1.277 384 G CA -0.070 45.109 45.100 0.131 0.000 0.910 384 G HN 0.828 nan 8.290 nan 0.000 0.576 385 T N -1.449 113.212 114.554 0.178 0.000 2.896 385 T HA 0.757 5.107 4.350 -0.000 0.000 0.297 385 T C -3.144 171.448 174.700 -0.180 0.000 1.108 385 T CA -0.854 61.297 62.100 0.084 0.000 1.004 385 T CB 2.812 71.690 68.868 0.016 0.000 1.159 385 T HN 0.673 nan 8.240 nan 0.000 0.499 386 P HA 0.312 nan 4.420 nan 0.000 0.267 386 P C 1.215 178.266 177.300 -0.415 0.000 1.200 386 P CA 1.373 63.877 63.100 -0.994 0.000 0.772 386 P CB 0.329 31.605 31.700 -0.707 0.000 0.855 387 G N 1.820 110.437 108.800 -0.305 0.000 2.454 387 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.225 387 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.225 387 G C 0.117 174.977 174.900 -0.066 0.000 1.138 387 G CA 0.365 45.385 45.100 -0.133 0.000 0.667 387 G HN 0.775 nan 8.290 nan 0.000 0.512 388 E N 2.215 122.383 120.200 -0.053 0.000 2.354 388 E HA 0.559 4.909 4.350 -0.000 0.000 0.269 388 E C 1.515 178.146 176.600 0.052 0.000 1.036 388 E CA -0.368 56.037 56.400 0.008 0.000 0.876 388 E CB 1.443 31.155 29.700 0.019 0.000 1.009 388 E HN 0.224 nan 8.360 nan 0.000 0.416 389 L N 3.304 124.551 121.223 0.040 0.000 2.077 389 L HA -0.304 4.036 4.340 -0.000 0.000 0.231 389 L C 2.228 179.137 176.870 0.066 0.000 1.100 389 L CA 2.986 57.853 54.840 0.044 0.000 0.819 389 L CB -0.753 41.324 42.059 0.030 0.000 0.913 389 L HN 0.968 nan 8.230 nan 0.000 0.446 390 T N -4.273 110.325 114.554 0.073 0.000 3.273 390 T HA 0.062 4.412 4.350 -0.000 0.000 0.254 390 T C 0.190 174.956 174.700 0.110 0.000 1.002 390 T CA -0.498 61.643 62.100 0.069 0.000 0.913 390 T CB -0.832 68.061 68.868 0.041 0.000 1.056 390 T HN 0.126 nan 8.240 nan 0.000 0.576 391 Y N 2.840 123.142 120.300 0.003 0.000 2.745 391 Y HA 0.382 4.931 4.550 -0.000 0.000 0.335 391 Y C 0.337 176.241 175.900 0.006 0.000 1.212 391 Y CA -0.367 57.736 58.100 0.005 0.000 1.535 391 Y CB 0.001 38.462 38.460 0.002 0.000 1.220 391 Y HN 0.328 nan 8.280 nan 0.000 0.531 392 S N 4.787 120.284 115.700 -0.338 0.000 2.541 392 S HA 0.789 5.259 4.470 -0.000 0.000 0.280 392 S C -1.827 172.495 174.600 -0.462 0.000 1.112 392 S CA -0.718 57.292 58.200 -0.317 0.000 0.925 392 S CB 1.063 64.183 63.200 -0.134 0.000 1.067 392 S HN 0.413 nan 8.310 nan 0.000 0.479 393 V N 4.145 123.850 119.914 -0.347 0.000 2.444 393 V HA 0.717 4.837 4.120 -0.000 0.000 0.294 393 V C 0.006 176.069 176.094 -0.053 0.000 1.022 393 V CA -0.435 61.732 62.300 -0.221 0.000 0.850 393 V CB 1.290 32.996 31.823 -0.194 0.000 0.992 393 V HN 1.062 nan 8.190 nan 0.000 0.426 394 T N 1.756 116.309 114.554 -0.003 0.000 2.865 394 T HA 0.885 5.234 4.350 -0.000 0.000 0.294 394 T C -1.037 173.747 174.700 0.140 0.000 1.119 394 T CA -0.788 61.339 62.100 0.045 0.000 1.007 394 T CB 2.370 71.215 68.868 -0.038 0.000 1.225 394 T HN 0.868 nan 8.240 nan 0.000 0.515 395 Y N -1.939 118.352 120.300 -0.015 0.000 2.625 395 Y HA 0.768 5.318 4.550 -0.000 0.000 0.338 395 Y C -1.106 174.787 175.900 -0.011 0.000 1.123 395 Y CA -1.223 56.871 58.100 -0.010 0.000 1.046 395 Y CB 1.080 39.542 38.460 0.003 0.000 1.299 395 Y HN 0.645 nan 8.280 nan 0.000 0.464 396 T N 4.992 119.499 114.554 -0.077 0.000 2.853 396 T HA 0.397 4.747 4.350 -0.000 0.000 0.317 396 T C -2.791 171.890 174.700 -0.032 0.000 1.059 396 T CA -1.392 60.624 62.100 -0.140 0.000 0.954 396 T CB 0.680 69.522 68.868 -0.044 0.000 0.994 396 T HN 0.394 nan 8.240 nan 0.000 0.479 397 P HA 0.216 nan 4.420 nan 0.000 0.269 397 P C 1.106 178.435 177.300 0.049 0.000 1.215 397 P CA 0.458 63.615 63.100 0.095 0.000 0.780 397 P CB 0.521 32.252 31.700 0.052 0.000 0.898 398 G N 0.837 109.677 108.800 0.066 0.000 2.212 398 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.266 398 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.266 398 G C 0.480 175.386 174.900 0.011 0.000 0.978 398 G CA 0.234 45.352 45.100 0.030 0.000 0.632 398 G HN 0.900 nan 8.290 nan 0.000 0.537 399 A N 0.654 123.482 122.820 0.012 0.000 2.511 399 A HA 0.608 4.928 4.320 -0.000 0.000 0.242 399 A C 1.716 179.288 177.584 -0.021 0.000 1.069 399 A CA 1.329 53.363 52.037 -0.005 0.000 0.763 399 A CB 0.312 19.311 19.000 -0.002 0.000 1.001 399 A HN 1.711 nan 8.150 nan 0.000 0.498 400 S N 1.166 116.850 115.700 -0.026 0.000 2.481 400 S HA -0.112 4.358 4.470 -0.000 0.000 0.231 400 S C 1.272 175.840 174.600 -0.052 0.000 0.996 400 S CA 1.265 59.444 58.200 -0.036 0.000 0.942 400 S CB -0.674 62.509 63.200 -0.028 0.000 0.768 400 S HN 1.015 nan 8.310 nan 0.000 0.520 401 T N -0.626 113.899 114.554 -0.050 0.000 3.129 401 T HA 0.201 4.551 4.350 -0.000 0.000 0.251 401 T C 0.373 175.017 174.700 -0.094 0.000 1.117 401 T CA -0.400 61.662 62.100 -0.064 0.000 1.034 401 T CB -0.537 68.302 68.868 -0.048 0.000 0.968 401 T HN 0.200 nan 8.240 nan 0.000 0.526 402 N N 2.246 120.890 118.700 -0.094 0.000 2.497 402 N HA 0.196 4.936 4.740 -0.000 0.000 0.268 402 N C 0.971 176.334 175.510 -0.246 0.000 1.171 402 N CA -0.263 52.704 53.050 -0.138 0.000 0.948 402 N CB 0.957 39.387 38.487 -0.094 0.000 1.069 402 N HN 0.033 nan 8.380 nan 0.000 0.460 403 K N 1.183 121.338 120.400 -0.408 0.000 2.365 403 K HA 0.056 4.376 4.320 -0.000 0.000 0.197 403 K C -0.006 176.078 176.600 -0.861 0.000 1.042 403 K CA 0.830 56.728 56.287 -0.647 0.000 0.987 403 K CB 0.089 32.081 32.500 -0.847 0.000 0.779 403 K HN 0.578 nan 8.250 nan 0.000 0.484 404 H N -0.213 118.540 119.070 -0.529 0.000 2.797 404 H HA 0.322 4.878 4.556 -0.000 0.000 0.372 404 H C -2.300 172.695 175.328 -0.555 0.000 1.168 404 H CA -2.292 53.274 56.048 -0.804 0.000 1.163 404 H CB 1.528 30.377 29.762 -1.523 0.000 1.778 404 H HN -0.144 nan 8.280 nan 0.000 0.551 405 P HA 0.008 nan 4.420 nan 0.000 0.272 405 P C 0.194 177.262 177.300 -0.386 0.000 1.240 405 P CA -0.213 62.658 63.100 -0.382 0.000 0.791 405 P CB 1.424 32.809 31.700 -0.526 0.000 0.978 406 D N 0.060 120.376 120.400 -0.139 0.000 2.178 406 D HA -0.105 4.535 4.640 -0.000 0.000 0.202 406 D C 1.993 178.293 176.300 0.000 0.000 0.974 406 D CA 1.206 55.206 54.000 -0.000 0.000 0.841 406 D CB -0.445 40.463 40.800 0.180 0.000 0.953 406 D HN 0.614 nan 8.370 nan 0.000 0.478 407 W N 0.469 121.833 121.300 0.107 0.000 2.363 407 W HA -0.145 4.515 4.660 -0.000 0.000 0.296 407 W C 1.971 178.555 176.519 0.109 0.000 1.212 407 W CA 0.121 57.523 57.345 0.094 0.000 1.260 407 W CB -1.364 28.150 29.460 0.090 0.000 1.131 407 W HN 0.028 nan 8.180 nan 0.000 0.530 408 W N 3.622 124.445 121.300 -0.795 0.000 2.380 408 W HA -0.184 4.476 4.660 -0.000 0.000 0.317 408 W C 1.979 178.234 176.519 -0.439 0.000 1.196 408 W CA 1.840 58.749 57.345 -0.727 0.000 1.307 408 W CB -1.124 27.631 29.460 -1.174 0.000 1.157 408 W HN -0.108 nan 8.180 nan 0.000 0.483 409 N N 1.004 119.645 118.700 -0.099 0.000 2.094 409 N HA -0.238 4.502 4.740 -0.000 0.000 0.191 409 N C 1.510 176.705 175.510 -0.525 0.000 1.023 409 N CA 2.174 54.971 53.050 -0.422 0.000 0.857 409 N CB -0.850 37.047 38.487 -0.984 0.000 1.013 409 N HN 0.227 nan 8.380 nan 0.000 0.426 410 E N 1.377 121.359 120.200 -0.363 0.000 2.085 410 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 410 E C 1.640 178.260 176.600 0.034 0.000 0.994 410 E CA 1.473 57.863 56.400 -0.018 0.000 0.801 410 E CB -0.018 29.772 29.700 0.149 0.000 0.743 410 E HN 0.298 nan 8.360 nan 0.000 0.453 411 K N -0.681 119.732 120.400 0.023 0.000 2.103 411 K HA -0.044 4.276 4.320 -0.000 0.000 0.204 411 K C 2.098 178.701 176.600 0.004 0.000 1.052 411 K CA 1.139 57.443 56.287 0.028 0.000 0.945 411 K CB 0.019 32.527 32.500 0.013 0.000 0.722 411 K HN 0.022 nan 8.250 nan 0.000 0.443 412 V N 1.963 121.845 119.914 -0.053 0.000 2.270 412 V HA -0.282 3.838 4.120 -0.000 0.000 0.245 412 V C 2.346 178.477 176.094 0.062 0.000 1.043 412 V CA 1.890 64.180 62.300 -0.017 0.000 1.014 412 V CB -0.487 31.316 31.823 -0.033 0.000 0.645 412 V HN 0.359 nan 8.190 nan 0.000 0.447 413 K N 0.524 120.945 120.400 0.036 0.000 2.059 413 K HA -0.301 4.019 4.320 -0.000 0.000 0.212 413 K C 1.975 178.631 176.600 0.094 0.000 1.050 413 K CA 2.431 58.771 56.287 0.089 0.000 0.927 413 K CB -0.323 32.284 32.500 0.178 0.000 0.714 413 K HN 0.436 nan 8.250 nan 0.000 0.447 414 N N 0.100 118.862 118.700 0.103 0.000 2.106 414 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 414 N C 1.767 177.342 175.510 0.109 0.000 1.029 414 N CA 1.609 54.718 53.050 0.099 0.000 0.848 414 N CB -0.802 37.749 38.487 0.106 0.000 1.007 414 N HN 0.433 nan 8.380 nan 0.000 0.423 415 H N 0.756 119.868 119.070 0.070 0.000 2.289 415 H HA -0.027 4.529 4.556 -0.000 0.000 0.294 415 H C 2.038 177.443 175.328 0.127 0.000 1.095 415 H CA 2.105 58.217 56.048 0.106 0.000 1.256 415 H CB -0.227 29.504 29.762 -0.052 0.000 1.359 415 H HN 0.138 nan 8.280 nan 0.000 0.487 416 M N -1.032 118.565 119.600 -0.005 0.000 2.296 416 M HA -0.127 4.353 4.480 -0.000 0.000 0.265 416 M C 1.595 177.957 176.300 0.104 0.000 1.064 416 M CA 0.973 56.289 55.300 0.027 0.000 1.109 416 M CB 0.150 32.835 32.600 0.140 0.000 1.396 416 M HN 0.370 nan 8.290 nan 0.000 0.430 417 M N -0.927 118.709 119.600 0.059 0.000 2.357 417 M HA -0.029 4.451 4.480 -0.000 0.000 0.266 417 M C 1.915 178.208 176.300 -0.012 0.000 1.095 417 M CA 1.244 56.587 55.300 0.071 0.000 1.156 417 M CB -0.751 31.868 32.600 0.031 0.000 1.365 417 M HN 0.183 nan 8.290 nan 0.000 0.447 418 Q N -0.233 119.498 119.800 -0.115 0.000 2.331 418 Q HA -0.012 4.328 4.340 -0.000 0.000 0.203 418 Q C 0.013 175.637 176.000 -0.628 0.000 0.944 418 Q CA 0.883 56.491 55.803 -0.325 0.000 0.892 418 Q CB 0.336 28.865 28.738 -0.349 0.000 0.983 418 Q HN 0.555 nan 8.270 nan 0.000 0.482 419 H N 0.121 119.111 119.070 -0.132 0.000 2.379 419 H HA 0.236 4.792 4.556 -0.000 0.000 0.229 419 H C 0.226 175.479 175.328 -0.125 0.000 1.423 419 H CA -0.108 55.868 56.048 -0.121 0.000 1.375 419 H CB 0.467 30.128 29.762 -0.168 0.000 1.592 419 H HN 0.192 nan 8.280 nan 0.000 0.507 420 Q N 0.767 120.557 119.800 -0.016 0.000 2.500 420 Q HA -0.104 4.236 4.340 -0.000 0.000 0.213 420 Q C 1.771 177.728 176.000 -0.071 0.000 0.974 420 Q CA 0.773 56.525 55.803 -0.084 0.000 0.918 420 Q CB 0.404 29.043 28.738 -0.166 0.000 0.980 420 Q HN 0.548 nan 8.270 nan 0.000 0.505 421 E N 0.845 121.050 120.200 0.009 0.000 2.442 421 E HA -0.074 4.276 4.350 -0.000 0.000 0.195 421 E C -0.354 176.283 176.600 0.061 0.000 1.030 421 E CA 0.366 56.782 56.400 0.026 0.000 0.869 421 E CB 0.112 29.845 29.700 0.055 0.000 0.857 421 E HN 0.133 nan 8.360 nan 0.000 0.505 422 D N 2.183 122.636 120.400 0.087 0.000 2.225 422 D HA 0.133 4.773 4.640 -0.000 0.000 0.248 422 D C -1.602 174.748 176.300 0.083 0.000 1.096 422 D CA -2.195 51.881 54.000 0.126 0.000 0.863 422 D CB 1.651 42.554 40.800 0.172 0.000 1.156 422 D HN -0.165 nan 8.370 nan 0.000 0.450 423 P HA 0.116 nan 4.420 nan 0.000 0.249 423 P C -0.322 177.018 177.300 0.067 0.000 1.229 423 P CA 0.196 63.333 63.100 0.061 0.000 0.788 423 P CB 0.328 32.057 31.700 0.049 0.000 1.072 424 L N 1.225 122.498 121.223 0.083 0.000 2.333 424 L HA 0.424 4.764 4.340 -0.000 0.000 0.269 424 L C -1.612 175.295 176.870 0.063 0.000 1.010 424 L CA -2.289 52.577 54.840 0.042 0.000 0.818 424 L CB 2.611 44.663 42.059 -0.012 0.000 1.306 424 L HN -0.342 nan 8.230 nan 0.000 0.430 425 P HA 0.154 nan 4.420 nan 0.000 0.261 425 P C 0.181 177.322 177.300 -0.266 0.000 1.268 425 P CA 0.374 63.470 63.100 -0.006 0.000 0.833 425 P CB 0.568 32.278 31.700 0.016 0.000 1.231 426 I N 2.595 122.916 120.570 -0.415 0.000 2.416 426 I HA 0.197 4.367 4.170 -0.000 0.000 0.288 426 I C -2.122 173.443 176.117 -0.921 0.000 1.051 426 I CA -2.668 58.322 61.300 -0.516 0.000 1.375 426 I CB 0.666 38.471 38.000 -0.325 0.000 1.407 426 I HN -0.241 nan 8.210 nan 0.000 0.516 427 P HA -0.012 nan 4.420 nan 0.000 0.265 427 P C 0.307 177.350 177.300 -0.429 0.000 1.193 427 P CA 0.062 62.774 63.100 -0.646 0.000 0.765 427 P CB 0.307 31.867 31.700 -0.234 0.000 0.823 428 F N 1.132 120.976 119.950 -0.176 0.000 2.091 428 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 428 F C 1.665 177.428 175.800 -0.061 0.000 1.103 428 F CA 1.695 59.632 58.000 -0.105 0.000 1.228 428 F CB -1.002 37.948 39.000 -0.083 0.000 0.984 428 F HN 0.404 nan 8.300 nan 0.000 0.477 429 E N 0.054 120.343 120.200 0.148 0.000 2.349 429 E HA 0.023 4.373 4.350 -0.000 0.000 0.201 429 E C -0.427 176.199 176.600 0.042 0.000 1.087 429 E CA -0.294 56.163 56.400 0.096 0.000 1.128 429 E CB -0.379 29.379 29.700 0.096 0.000 1.188 429 E HN 0.185 nan 8.360 nan 0.000 0.445 430 D N 2.492 122.892 120.400 0.000 0.000 2.487 430 D HA 0.003 4.643 4.640 -0.000 0.000 0.243 430 D C -2.253 174.069 176.300 0.036 0.000 1.154 430 D CA -1.302 52.686 54.000 -0.021 0.000 0.876 430 D CB 0.734 41.481 40.800 -0.088 0.000 1.161 430 D HN -0.081 nan 8.370 nan 0.000 0.478 431 P HA 0.026 nan 4.420 nan 0.000 0.269 431 P C -0.489 176.934 177.300 0.204 0.000 1.217 431 P CA -0.240 62.961 63.100 0.170 0.000 0.783 431 P CB 0.355 32.145 31.700 0.149 0.000 0.898 432 E N 2.405 122.742 120.200 0.229 0.000 2.418 432 E HA 0.088 4.438 4.350 -0.000 0.000 0.261 432 E C -2.278 174.330 176.600 0.013 0.000 1.070 432 E CA -1.834 54.600 56.400 0.057 0.000 0.931 432 E CB -1.178 28.494 29.700 -0.047 0.000 0.954 432 E HN 0.316 nan 8.360 nan 0.000 0.439 433 P HA 0.077 nan 4.420 nan 0.000 0.274 433 P C -0.334 176.980 177.300 0.024 0.000 1.231 433 P CA -0.126 63.034 63.100 0.100 0.000 0.790 433 P CB 0.609 32.335 31.700 0.044 0.000 0.951 434 Q N 0.893 120.825 119.800 0.221 0.000 3.007 434 Q HA 0.268 4.607 4.340 -0.000 0.000 0.321 434 Q C -0.872 175.247 176.000 0.198 0.000 0.784 434 Q CA -0.286 55.544 55.803 0.046 0.000 0.990 434 Q CB 0.994 29.553 28.738 -0.298 0.000 1.493 434 Q HN 0.206 nan 8.270 nan 0.000 0.382 435 V N 0.601 120.591 119.914 0.126 0.000 2.532 435 V HA 0.708 4.828 4.120 -0.000 0.000 0.295 435 V C 0.286 176.406 176.094 0.043 0.000 1.041 435 V CA -0.319 62.044 62.300 0.105 0.000 0.926 435 V CB 1.937 33.759 31.823 -0.001 0.000 0.992 435 V HN 0.358 nan 8.190 nan 0.000 0.457 436 T N 1.869 116.473 114.554 0.082 0.000 2.909 436 T HA 0.476 4.826 4.350 -0.000 0.000 0.299 436 T C -0.812 173.829 174.700 -0.098 0.000 1.073 436 T CA -0.338 61.742 62.100 -0.035 0.000 0.999 436 T CB 1.838 70.661 68.868 -0.074 0.000 1.098 436 T HN 0.815 nan 8.240 nan 0.000 0.477 437 T N 4.822 119.162 114.554 -0.357 0.000 2.772 437 T HA 0.581 4.931 4.350 -0.000 0.000 0.288 437 T C -0.028 174.511 174.700 -0.267 0.000 0.994 437 T CA -0.615 61.120 62.100 -0.609 0.000 0.951 437 T CB -0.119 67.945 68.868 -1.341 0.000 0.933 437 T HN 0.527 nan 8.240 nan 0.000 0.447 438 L N 4.490 125.641 121.223 -0.119 0.000 2.467 438 L HA 0.360 4.700 4.340 -0.000 0.000 0.270 438 L C 0.769 177.642 176.870 0.005 0.000 1.205 438 L CA -0.834 54.022 54.840 0.027 0.000 0.828 438 L CB 0.215 42.295 42.059 0.036 0.000 1.101 438 L HN 0.646 nan 8.230 nan 0.000 0.479 439 F N 2.988 122.881 119.950 -0.095 0.000 2.568 439 F HA -0.137 4.390 4.527 -0.000 0.000 0.394 439 F C 0.367 175.914 175.800 -0.421 0.000 1.032 439 F CA 0.748 58.598 58.000 -0.250 0.000 1.242 439 F CB 0.141 39.041 39.000 -0.165 0.000 0.966 439 F HN 0.400 nan 8.300 nan 0.000 0.560 440 Q N 6.137 125.409 119.800 -0.879 0.000 2.565 440 Q HA 0.270 4.610 4.340 -0.000 0.000 0.294 440 Q C -2.102 173.463 176.000 -0.726 0.000 1.005 440 Q CA -1.711 53.701 55.803 -0.653 0.000 0.771 440 Q CB 1.025 29.286 28.738 -0.795 0.000 1.486 440 Q HN 0.206 nan 8.270 nan 0.000 0.422 441 P HA -0.162 nan 4.420 nan 0.000 0.216 441 P C 1.182 178.280 177.300 -0.338 0.000 1.150 441 P CA 1.976 64.926 63.100 -0.249 0.000 0.837 441 P CB 0.218 31.852 31.700 -0.110 0.000 0.786 442 S N -1.460 114.032 115.700 -0.345 0.000 2.603 442 S HA -0.071 4.399 4.470 -0.000 0.000 0.220 442 S C 0.427 174.840 174.600 -0.312 0.000 0.967 442 S CA -0.003 58.061 58.200 -0.226 0.000 0.920 442 S CB -1.272 61.886 63.200 -0.070 0.000 0.773 442 S HN 0.421 nan 8.310 nan 0.000 0.529 443 H N -1.455 117.168 119.070 -0.746 0.000 2.643 443 H HA 0.458 5.014 4.556 -0.000 0.000 0.229 443 H C -3.295 170.884 175.328 -1.915 0.000 1.410 443 H CA -1.628 53.590 56.048 -1.383 0.000 1.458 443 H CB 0.386 29.614 29.762 -0.889 0.000 1.792 443 H HN 0.070 nan 8.280 nan 0.000 0.563 444 P HA 0.118 nan 4.420 nan 0.000 0.225 444 P C -1.247 175.434 177.300 -1.031 0.000 1.813 444 P CA 0.148 62.150 63.100 -1.830 0.000 1.013 444 P CB -1.034 30.168 31.700 -0.829 0.000 1.961 445 W N -0.155 120.800 121.300 -0.575 0.000 3.213 445 W HA 0.528 5.188 4.660 -0.000 0.000 0.318 445 W C -0.874 175.719 176.519 0.123 0.000 1.248 445 W CA -1.270 56.081 57.345 0.011 0.000 1.187 445 W CB 0.099 29.605 29.460 0.076 0.000 1.403 445 W HN 0.004 nan 8.180 nan 0.000 0.556 446 H N 1.081 120.409 119.070 0.429 0.000 2.547 446 H HA 0.707 5.263 4.556 -0.000 0.000 0.362 446 H C -0.041 175.449 175.328 0.271 0.000 1.181 446 H CA 0.696 56.908 56.048 0.274 0.000 1.376 446 H CB 1.430 31.317 29.762 0.207 0.000 1.488 446 H HN 0.595 nan 8.280 nan 0.000 0.583 447 T N 1.685 115.905 114.554 -0.557 0.000 2.903 447 T HA 0.529 4.879 4.350 -0.000 0.000 0.299 447 T C -0.890 173.523 174.700 -0.479 0.000 1.093 447 T CA -1.118 60.684 62.100 -0.496 0.000 1.002 447 T CB 1.815 70.270 68.868 -0.688 0.000 1.127 447 T HN 0.657 nan 8.240 nan 0.000 0.488 448 Q N 1.172 120.879 119.800 -0.155 0.000 2.263 448 Q HA 0.509 4.848 4.340 -0.000 0.000 0.262 448 Q C -1.558 174.329 176.000 -0.189 0.000 0.984 448 Q CA -0.531 55.093 55.803 -0.298 0.000 0.813 448 Q CB 2.489 30.978 28.738 -0.415 0.000 1.299 448 Q HN 0.734 nan 8.270 nan 0.000 0.428 449 I N 3.711 124.148 120.570 -0.222 0.000 2.563 449 I HA 0.341 4.511 4.170 -0.000 0.000 0.276 449 I C -0.458 175.580 176.117 -0.132 0.000 1.074 449 I CA -0.189 60.873 61.300 -0.396 0.000 1.124 449 I CB 0.552 38.194 38.000 -0.597 0.000 1.225 449 I HN 0.707 nan 8.210 nan 0.000 0.482 450 H N 3.364 122.279 119.070 -0.259 0.000 3.054 450 H HA 0.708 5.264 4.556 -0.000 0.000 0.271 450 H C -1.171 174.105 175.328 -0.086 0.000 1.551 450 H CA -1.388 54.580 56.048 -0.134 0.000 1.196 450 H CB 1.465 31.181 29.762 -0.078 0.000 1.867 450 H HN 0.072 nan 8.280 nan 0.000 0.637 451 R N 1.124 121.467 120.500 -0.260 0.000 2.621 451 R HA 0.443 4.783 4.340 -0.000 0.000 0.284 451 R C -1.589 174.513 176.300 -0.331 0.000 0.998 451 R CA -0.606 55.306 56.100 -0.314 0.000 0.895 451 R CB 1.952 32.173 30.300 -0.132 0.000 1.195 451 R HN 0.874 nan 8.270 nan 0.000 0.450 452 D N 0.221 120.453 120.400 -0.280 0.000 2.725 452 D HA 0.371 5.011 4.640 -0.000 0.000 0.292 452 D C -1.452 174.785 176.300 -0.105 0.000 1.288 452 D CA -0.399 53.477 54.000 -0.205 0.000 0.784 452 D CB 2.390 43.094 40.800 -0.160 0.000 1.308 452 D HN 0.495 nan 8.370 nan 0.000 0.429 453 A N 1.185 123.841 122.820 -0.273 0.000 2.289 453 A HA 0.677 4.997 4.320 -0.000 0.000 0.298 453 A C -1.090 176.200 177.584 -0.490 0.000 1.208 453 A CA -0.039 51.885 52.037 -0.190 0.000 0.845 453 A CB -0.050 18.933 19.000 -0.028 0.000 1.125 453 A HN 0.319 nan 8.150 nan 0.000 0.517 454 F N 0.231 120.037 119.950 -0.239 0.000 2.790 454 F HA 0.401 4.928 4.527 -0.000 0.000 0.337 454 F C 1.694 177.323 175.800 -0.284 0.000 1.163 454 F CA 0.190 58.013 58.000 -0.296 0.000 0.997 454 F CB 1.547 40.170 39.000 -0.628 0.000 1.437 454 F HN 0.540 nan 8.300 nan 0.000 0.512 455 S N -0.914 114.801 115.700 0.025 0.000 2.489 455 S HA 0.019 4.489 4.470 -0.000 0.000 0.228 455 S C -0.122 174.511 174.600 0.054 0.000 0.995 455 S CA 0.574 58.784 58.200 0.017 0.000 0.934 455 S CB -0.854 62.397 63.200 0.085 0.000 0.771 455 S HN 0.520 nan 8.310 nan 0.000 0.522 456 Y N -2.185 118.085 120.300 -0.050 0.000 2.686 456 Y HA 0.785 5.335 4.550 -0.000 0.000 0.330 456 Y C 1.132 176.937 175.900 -0.158 0.000 1.082 456 Y CA -1.187 56.833 58.100 -0.134 0.000 1.158 456 Y CB 0.436 38.755 38.460 -0.236 0.000 1.333 456 Y HN 0.147 nan 8.280 nan 0.000 0.519 457 G N -0.654 108.069 108.800 -0.128 0.000 2.143 457 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.249 457 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.249 457 G C 0.285 175.185 174.900 0.001 0.000 0.981 457 G CA -0.096 44.933 45.100 -0.119 0.000 0.665 457 G HN 1.432 nan 8.290 nan 0.000 0.528 458 A N -0.439 122.377 122.820 -0.007 0.000 2.565 458 A HA 0.529 4.849 4.320 -0.000 0.000 0.237 458 A C 0.840 178.458 177.584 0.055 0.000 1.053 458 A CA 0.815 52.862 52.037 0.017 0.000 0.755 458 A CB 0.575 19.582 19.000 0.012 0.000 0.980 458 A HN 1.228 nan 8.150 nan 0.000 0.506 459 V N 3.459 123.404 119.914 0.052 0.000 2.644 459 V HA 0.331 4.451 4.120 -0.000 0.000 0.295 459 V C 0.557 176.681 176.094 0.051 0.000 1.053 459 V CA -0.386 61.951 62.300 0.061 0.000 0.987 459 V CB 1.427 33.284 31.823 0.057 0.000 1.006 459 V HN 1.140 nan 8.190 nan 0.000 0.472 460 Q N 3.288 123.119 119.800 0.052 0.000 2.173 460 Q HA 0.467 4.806 4.340 -0.000 0.000 0.186 460 Q C -0.074 175.949 176.000 0.039 0.000 1.018 460 Q CA -0.457 55.371 55.803 0.043 0.000 1.064 460 Q CB 0.582 29.346 28.738 0.043 0.000 1.130 460 Q HN 0.389 nan 8.270 nan 0.000 0.553 461 Q N -0.872 118.948 119.800 0.033 0.000 2.214 461 Q HA 0.230 4.570 4.340 -0.000 0.000 0.229 461 Q C 1.406 177.424 176.000 0.030 0.000 0.835 461 Q CA 0.505 56.327 55.803 0.030 0.000 0.953 461 Q CB 0.836 29.590 28.738 0.026 0.000 1.131 461 Q HN 0.742 nan 8.270 nan 0.000 0.501 462 S N -0.044 115.674 115.700 0.029 0.000 2.446 462 S HA 0.116 4.586 4.470 -0.000 0.000 0.225 462 S C 0.983 175.601 174.600 0.031 0.000 1.016 462 S CA 0.253 58.469 58.200 0.028 0.000 0.943 462 S CB 0.577 63.792 63.200 0.025 0.000 0.786 462 S HN 0.147 nan 8.310 nan 0.000 0.508 463 I N 3.214 123.805 120.570 0.034 0.000 2.331 463 I HA 0.244 4.414 4.170 -0.000 0.000 0.292 463 I C 0.288 176.430 176.117 0.041 0.000 0.998 463 I CA -1.032 60.290 61.300 0.036 0.000 1.267 463 I CB 0.600 38.622 38.000 0.037 0.000 1.386 463 I HN 0.150 nan 8.210 nan 0.000 0.476 464 D N 4.150 124.577 120.400 0.045 0.000 2.525 464 D HA -0.089 4.551 4.640 -0.000 0.000 0.235 464 D C 1.232 177.562 176.300 0.050 0.000 1.137 464 D CA 0.286 54.318 54.000 0.055 0.000 0.868 464 D CB 1.177 42.014 40.800 0.062 0.000 1.180 464 D HN 0.670 nan 8.370 nan 0.000 0.465 465 S N 4.067 119.799 115.700 0.054 0.000 2.474 465 S HA -0.135 4.335 4.470 -0.000 0.000 0.235 465 S C 1.659 176.282 174.600 0.038 0.000 0.997 465 S CA 0.460 58.688 58.200 0.047 0.000 0.949 465 S CB 0.011 63.239 63.200 0.047 0.000 0.766 465 S HN 0.535 nan 8.310 nan 0.000 0.517 466 R N 0.489 121.010 120.500 0.035 0.000 2.189 466 R HA 0.215 4.555 4.340 -0.000 0.000 0.223 466 R C 1.813 178.114 176.300 0.002 0.000 1.092 466 R CA 1.063 57.166 56.100 0.006 0.000 0.989 466 R CB -0.423 29.860 30.300 -0.028 0.000 0.876 466 R HN 0.438 nan 8.270 nan 0.000 0.457 467 L N 0.239 121.474 121.223 0.019 0.000 2.446 467 L HA 0.075 4.415 4.340 -0.000 0.000 0.219 467 L C 0.195 177.092 176.870 0.044 0.000 1.116 467 L CA -0.014 54.841 54.840 0.026 0.000 0.844 467 L CB 0.178 42.255 42.059 0.030 0.000 0.970 467 L HN 0.029 nan 8.230 nan 0.000 0.457 468 I N 0.306 120.903 120.570 0.046 0.000 2.396 468 I HA 0.231 4.401 4.170 -0.000 0.000 0.292 468 I C -0.023 176.133 176.117 0.064 0.000 0.999 468 I CA -0.522 60.817 61.300 0.065 0.000 1.310 468 I CB 1.381 39.417 38.000 0.060 0.000 1.404 468 I HN -0.343 nan 8.210 nan 0.000 0.496 469 V N 5.286 125.264 119.914 0.105 0.000 2.709 469 V HA 0.387 4.507 4.120 -0.000 0.000 0.308 469 V C -0.728 175.413 176.094 0.079 0.000 1.062 469 V CA -0.941 61.390 62.300 0.051 0.000 0.901 469 V CB 2.376 34.224 31.823 0.040 0.000 1.003 469 V HN 0.575 nan 8.190 nan 0.000 0.425 470 D N 2.647 123.031 120.400 -0.026 0.000 2.210 470 D HA 0.457 5.097 4.640 -0.000 0.000 0.249 470 D C -1.006 175.274 176.300 -0.033 0.000 1.062 470 D CA 0.104 54.159 54.000 0.093 0.000 0.891 470 D CB 1.290 42.146 40.800 0.093 0.000 1.186 470 D HN 0.438 nan 8.370 nan 0.000 0.432 471 W N 1.522 122.881 121.300 0.098 0.000 2.538 471 W HA 0.441 5.101 4.660 -0.000 0.000 0.322 471 W C 0.200 176.808 176.519 0.148 0.000 1.028 471 W CA -0.859 56.567 57.345 0.135 0.000 1.228 471 W CB 1.176 30.604 29.460 -0.052 0.000 1.356 471 W HN -0.068 nan 8.180 nan 0.000 0.452 472 R N 2.853 123.600 120.500 0.412 0.000 2.476 472 R HA 0.571 4.910 4.340 -0.000 0.000 0.305 472 R C -1.534 174.933 176.300 0.278 0.000 0.965 472 R CA -0.877 55.326 56.100 0.172 0.000 0.867 472 R CB 1.659 31.968 30.300 0.014 0.000 1.176 472 R HN 0.166 nan 8.270 nan 0.000 0.447 473 F N 3.142 122.926 119.950 -0.277 0.000 2.507 473 F HA 0.487 5.014 4.527 -0.000 0.000 0.325 473 F C -0.489 175.188 175.800 -0.204 0.000 1.116 473 F CA -1.498 56.438 58.000 -0.106 0.000 0.930 473 F CB 1.138 40.064 39.000 -0.123 0.000 1.146 473 F HN 0.307 nan 8.300 nan 0.000 0.447 474 F N 1.473 121.628 119.950 0.341 0.000 2.467 474 F HA 0.688 5.215 4.527 -0.000 0.000 0.336 474 F C 0.672 176.683 175.800 0.351 0.000 1.123 474 F CA -1.078 57.112 58.000 0.317 0.000 0.964 474 F CB 1.438 40.675 39.000 0.396 0.000 1.136 474 F HN 0.525 nan 8.300 nan 0.000 0.447 475 G N 1.940 110.986 108.800 0.410 0.000 2.511 475 G HA2 0.675 4.635 3.960 -0.000 0.000 0.316 475 G HA3 0.675 4.635 3.960 -0.000 0.000 0.316 475 G C -0.999 174.096 174.900 0.325 0.000 1.210 475 G CA -1.104 44.227 45.100 0.384 0.000 0.969 475 G HN 0.708 nan 8.290 nan 0.000 0.492 476 R N -1.135 119.550 120.500 0.308 0.000 2.474 476 R HA 0.679 5.019 4.340 -0.000 0.000 0.295 476 R C -1.103 175.293 176.300 0.160 0.000 0.980 476 R CA -0.565 55.640 56.100 0.175 0.000 0.934 476 R CB 1.458 31.881 30.300 0.205 0.000 1.101 476 R HN 0.270 nan 8.270 nan 0.000 0.469 477 T N 2.282 116.891 114.554 0.091 0.000 2.786 477 T HA 0.166 4.516 4.350 -0.000 0.000 0.283 477 T C -0.691 174.081 174.700 0.120 0.000 0.992 477 T CA -0.704 61.499 62.100 0.171 0.000 0.954 477 T CB 1.244 70.275 68.868 0.273 0.000 0.934 477 T HN 0.575 nan 8.240 nan 0.000 0.440 478 E N 4.507 124.784 120.200 0.129 0.000 2.480 478 E HA 0.090 4.440 4.350 -0.000 0.000 0.258 478 E C -2.106 174.566 176.600 0.120 0.000 0.984 478 E CA -1.269 55.197 56.400 0.110 0.000 0.930 478 E CB 0.329 30.087 29.700 0.095 0.000 0.936 478 E HN 0.299 nan 8.360 nan 0.000 0.466 479 P HA 0.094 nan 4.420 nan 0.000 0.276 479 P C -0.957 176.478 177.300 0.225 0.000 1.235 479 P CA 0.054 63.282 63.100 0.214 0.000 0.772 479 P CB 0.727 32.584 31.700 0.263 0.000 0.871 480 K N 2.393 122.858 120.400 0.110 0.000 2.468 480 K HA 0.151 4.471 4.320 -0.000 0.000 0.252 480 K C 0.857 177.231 176.600 -0.378 0.000 0.932 480 K CA -0.639 55.621 56.287 -0.046 0.000 0.794 480 K CB 2.497 34.953 32.500 -0.073 0.000 1.241 480 K HN 0.462 nan 8.250 nan 0.000 0.428 481 E N 2.241 122.036 120.200 -0.675 0.000 2.160 481 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 481 E C 1.019 177.352 176.600 -0.445 0.000 0.991 481 E CA 1.543 57.321 56.400 -1.036 0.000 0.810 481 E CB 0.451 29.769 29.700 -0.636 0.000 0.742 481 E HN 0.551 nan 8.360 nan 0.000 0.466 482 E N 0.520 120.568 120.200 -0.254 0.000 2.338 482 E HA -0.119 4.231 4.350 -0.000 0.000 0.197 482 E C 0.037 176.577 176.600 -0.100 0.000 1.007 482 E CA 0.325 56.639 56.400 -0.143 0.000 0.849 482 E CB -0.339 29.293 29.700 -0.113 0.000 0.774 482 E HN 0.096 nan 8.360 nan 0.000 0.506 483 N N 1.906 120.534 118.700 -0.121 0.000 2.430 483 N HA 0.181 4.921 4.740 -0.000 0.000 0.265 483 N C -0.709 174.859 175.510 0.096 0.000 1.100 483 N CA 0.159 53.196 53.050 -0.022 0.000 0.961 483 N CB 1.092 39.534 38.487 -0.075 0.000 1.075 483 N HN 0.109 nan 8.380 nan 0.000 0.478 484 K N 1.288 121.800 120.400 0.187 0.000 2.498 484 K HA 0.414 4.734 4.320 -0.000 0.000 0.254 484 K C -1.302 175.431 176.600 0.221 0.000 0.933 484 K CA -0.863 55.547 56.287 0.206 0.000 0.806 484 K CB 2.367 35.005 32.500 0.229 0.000 1.301 484 K HN 0.166 nan 8.250 nan 0.000 0.432 485 L N 4.270 125.576 121.223 0.139 0.000 2.305 485 L HA 0.599 4.939 4.340 -0.000 0.000 0.284 485 L C -1.347 175.456 176.870 -0.112 0.000 1.013 485 L CA -0.089 54.667 54.840 -0.140 0.000 0.819 485 L CB 0.510 42.501 42.059 -0.113 0.000 1.227 485 L HN 0.717 nan 8.230 nan 0.000 0.417 486 W N 3.796 124.804 121.300 -0.485 0.000 3.032 486 W HA 0.612 5.272 4.660 -0.000 0.000 0.341 486 W C -2.200 173.844 176.519 -0.792 0.000 1.202 486 W CA -1.220 55.896 57.345 -0.381 0.000 1.132 486 W CB 0.962 30.362 29.460 -0.100 0.000 1.465 486 W HN 0.340 nan 8.180 nan 0.000 0.576 487 F N 1.655 121.800 119.950 0.326 0.000 2.477 487 F HA 0.305 4.832 4.527 -0.000 0.000 0.335 487 F C 0.947 176.954 175.800 0.345 0.000 1.130 487 F CA -0.929 57.170 58.000 0.166 0.000 0.948 487 F CB 1.834 40.899 39.000 0.109 0.000 1.154 487 F HN 0.256 nan 8.300 nan 0.000 0.439 488 S N 1.651 117.551 115.700 0.334 0.000 2.642 488 S HA -0.102 4.368 4.470 -0.000 0.000 0.308 488 S C 0.995 175.760 174.600 0.276 0.000 1.255 488 S CA -0.117 58.297 58.200 0.356 0.000 1.057 488 S CB 0.115 63.421 63.200 0.177 0.000 0.785 488 S HN 0.708 nan 8.310 nan 0.000 0.500 489 D N 2.918 123.460 120.400 0.236 0.000 2.363 489 D HA -0.004 4.636 4.640 -0.000 0.000 0.226 489 D C 0.979 177.347 176.300 0.113 0.000 1.020 489 D CA 0.593 54.682 54.000 0.148 0.000 0.892 489 D CB -0.013 40.850 40.800 0.105 0.000 0.900 489 D HN 0.736 nan 8.370 nan 0.000 0.531 490 K N -0.983 119.490 120.400 0.121 0.000 2.620 490 K HA 0.148 4.468 4.320 -0.000 0.000 0.208 490 K C -0.003 176.647 176.600 0.083 0.000 1.582 490 K CA -0.413 55.928 56.287 0.089 0.000 1.083 490 K CB 0.538 33.087 32.500 0.080 0.000 1.420 490 K HN -0.103 nan 8.250 nan 0.000 0.582 491 I N 3.703 124.328 120.570 0.092 0.000 2.396 491 I HA 0.238 4.408 4.170 -0.000 0.000 0.292 491 I C 0.226 176.388 176.117 0.075 0.000 0.999 491 I CA -0.115 61.228 61.300 0.071 0.000 1.310 491 I CB 1.146 39.181 38.000 0.058 0.000 1.404 491 I HN 0.347 nan 8.210 nan 0.000 0.496 492 T N 1.346 115.939 114.554 0.065 0.000 2.916 492 T HA 0.630 4.980 4.350 -0.000 0.000 0.292 492 T C -0.437 174.305 174.700 0.070 0.000 1.064 492 T CA -0.913 61.231 62.100 0.074 0.000 1.011 492 T CB 2.391 71.299 68.868 0.066 0.000 1.152 492 T HN 0.522 nan 8.240 nan 0.000 0.510 493 D N 0.432 120.888 120.400 0.094 0.000 2.507 493 D HA 0.514 5.154 4.640 -0.000 0.000 0.280 493 D C 1.607 177.948 176.300 0.068 0.000 1.219 493 D CA -0.494 53.564 54.000 0.097 0.000 1.085 493 D CB -0.019 40.876 40.800 0.158 0.000 1.134 493 D HN 0.653 nan 8.370 nan 0.000 0.583 494 A N -1.434 121.411 122.820 0.042 0.000 2.125 494 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 494 A C 1.117 178.548 177.584 -0.255 0.000 1.156 494 A CA 0.892 52.858 52.037 -0.118 0.000 0.671 494 A CB -0.986 17.894 19.000 -0.199 0.000 0.794 494 A HN 0.551 nan 8.150 nan 0.000 0.459 495 Y N -1.187 119.135 120.300 0.037 0.000 2.658 495 Y HA 0.227 4.777 4.550 -0.000 0.000 0.276 495 Y C 0.636 176.561 175.900 0.043 0.000 1.167 495 Y CA -0.227 57.898 58.100 0.041 0.000 1.230 495 Y CB -0.333 38.137 38.460 0.017 0.000 1.144 495 Y HN 0.422 nan 8.280 nan 0.000 0.529 496 N N -0.077 118.699 118.700 0.126 0.000 2.725 496 N HA -0.177 4.563 4.740 -0.000 0.000 0.249 496 N C -0.685 174.878 175.510 0.088 0.000 1.103 496 N CA 0.644 53.745 53.050 0.086 0.000 0.707 496 N CB -0.519 38.004 38.487 0.059 0.000 1.043 496 N HN 0.172 nan 8.380 nan 0.000 0.553 497 M N -0.387 119.279 119.600 0.110 0.000 2.598 497 M HA 0.435 4.915 4.480 -0.000 0.000 0.317 497 M C -2.127 174.234 176.300 0.101 0.000 1.201 497 M CA -2.078 53.270 55.300 0.080 0.000 0.971 497 M CB 0.595 33.232 32.600 0.062 0.000 1.657 497 M HN -0.286 nan 8.290 nan 0.000 0.470 498 P HA -0.003 nan 4.420 nan 0.000 0.260 498 P C -0.564 176.891 177.300 0.257 0.000 1.185 498 P CA 0.137 63.337 63.100 0.166 0.000 0.763 498 P CB 0.134 31.936 31.700 0.170 0.000 0.776 499 Q N 7.228 127.132 119.800 0.173 0.000 2.274 499 Q HA 0.124 4.464 4.340 -0.000 0.000 0.280 499 Q C -2.214 173.781 176.000 -0.007 0.000 1.047 499 Q CA -1.594 54.268 55.803 0.098 0.000 0.907 499 Q CB -0.194 28.555 28.738 0.018 0.000 1.171 499 Q HN 0.307 nan 8.270 nan 0.000 0.381 500 P HA 0.141 nan 4.420 nan 0.000 0.275 500 P C -1.105 175.743 177.300 -0.753 0.000 1.227 500 P CA -0.203 62.516 63.100 -0.635 0.000 0.781 500 P CB 1.162 32.591 31.700 -0.451 0.000 0.906 501 T N 2.880 116.758 114.554 -1.127 0.000 2.916 501 T HA 0.540 4.890 4.350 -0.000 0.000 0.298 501 T C -0.682 173.345 174.700 -1.122 0.000 1.031 501 T CA -0.112 61.319 62.100 -1.114 0.000 0.993 501 T CB 0.606 68.483 68.868 -1.652 0.000 1.045 501 T HN 0.071 nan 8.240 nan 0.000 0.454 502 F N 1.761 121.431 119.950 -0.466 0.000 2.450 502 F HA 0.525 5.052 4.527 -0.000 0.000 0.332 502 F C 0.485 176.217 175.800 -0.113 0.000 1.093 502 F CA -0.984 56.868 58.000 -0.246 0.000 1.003 502 F CB 1.325 40.233 39.000 -0.153 0.000 1.151 502 F HN 0.400 nan 8.300 nan 0.000 0.474 503 D N 3.575 124.116 120.400 0.234 0.000 2.420 503 D HA 0.234 4.874 4.640 -0.000 0.000 0.255 503 D C -1.767 174.654 176.300 0.202 0.000 1.185 503 D CA -0.092 54.041 54.000 0.221 0.000 0.904 503 D CB 0.452 41.415 40.800 0.272 0.000 1.102 503 D HN 0.308 nan 8.370 nan 0.000 0.534 504 F N 3.399 123.339 119.950 -0.016 0.000 2.569 504 F HA 0.590 5.117 4.527 -0.000 0.000 0.312 504 F C -1.205 174.490 175.800 -0.175 0.000 1.109 504 F CA -0.608 57.320 58.000 -0.120 0.000 0.919 504 F CB 1.368 40.240 39.000 -0.214 0.000 1.211 504 F HN 0.022 nan 8.300 nan 0.000 0.446 505 R N 4.581 124.464 120.500 -1.028 0.000 2.651 505 R HA 0.325 4.665 4.340 -0.000 0.000 0.278 505 R C -1.646 173.956 176.300 -1.163 0.000 1.010 505 R CA -0.946 54.672 56.100 -0.805 0.000 0.896 505 R CB 1.619 31.722 30.300 -0.328 0.000 1.211 505 R HN 0.597 nan 8.270 nan 0.000 0.456 506 F N 3.148 122.841 119.950 -0.428 0.000 2.590 506 F HA 0.138 4.665 4.527 -0.000 0.000 0.389 506 F C -1.293 174.389 175.800 -0.197 0.000 1.049 506 F CA -0.828 57.052 58.000 -0.200 0.000 1.199 506 F CB -0.226 38.766 39.000 -0.013 0.000 1.058 506 F HN 0.129 nan 8.300 nan 0.000 0.556 507 P HA 0.148 nan 4.420 nan 0.000 0.269 507 P C -0.506 176.803 177.300 0.016 0.000 1.209 507 P CA -0.156 62.921 63.100 -0.039 0.000 0.776 507 P CB 0.653 32.343 31.700 -0.017 0.000 0.876 508 A N 2.307 125.123 122.820 -0.006 0.000 2.310 508 A HA 0.609 4.929 4.320 -0.000 0.000 0.260 508 A C 1.074 178.670 177.584 0.020 0.000 1.112 508 A CA 0.615 52.655 52.037 0.005 0.000 0.804 508 A CB -0.922 18.074 19.000 -0.007 0.000 1.081 508 A HN 0.804 nan 8.150 nan 0.000 0.499 509 G N -0.222 108.591 108.800 0.022 0.000 2.498 509 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.251 509 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.251 509 G C 1.057 175.987 174.900 0.049 0.000 1.170 509 G CA 0.841 45.961 45.100 0.034 0.000 0.944 509 G HN 1.044 nan 8.290 nan 0.000 0.567 510 R N -0.196 120.341 120.500 0.062 0.000 2.105 510 R HA -0.067 4.273 4.340 -0.000 0.000 0.239 510 R C 2.788 179.148 176.300 0.099 0.000 1.135 510 R CA 2.598 58.746 56.100 0.081 0.000 0.967 510 R CB -0.809 29.542 30.300 0.085 0.000 0.861 510 R HN 0.610 nan 8.270 nan 0.000 0.442 511 T N -0.141 114.473 114.554 0.100 0.000 2.746 511 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 511 T C 1.881 176.637 174.700 0.093 0.000 1.039 511 T CA 1.678 63.855 62.100 0.127 0.000 1.142 511 T CB -0.084 68.879 68.868 0.158 0.000 0.866 511 T HN 0.246 nan 8.240 nan 0.000 0.444 512 S N 0.495 116.232 115.700 0.061 0.000 2.362 512 S HA 0.011 4.481 4.470 -0.000 0.000 0.221 512 S C 2.027 176.633 174.600 0.010 0.000 1.032 512 S CA 0.779 58.984 58.200 0.009 0.000 0.973 512 S CB -0.171 63.030 63.200 0.001 0.000 0.849 512 S HN 0.461 nan 8.310 nan 0.000 0.465 513 K N 1.368 121.790 120.400 0.036 0.000 2.044 513 K HA -0.190 4.130 4.320 -0.000 0.000 0.210 513 K C 1.910 178.559 176.600 0.081 0.000 1.049 513 K CA 1.639 57.956 56.287 0.049 0.000 0.927 513 K CB -0.183 32.353 32.500 0.060 0.000 0.713 513 K HN 0.364 nan 8.250 nan 0.000 0.443 514 E N -0.177 120.099 120.200 0.125 0.000 2.077 514 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 514 E C 1.990 178.665 176.600 0.124 0.000 0.989 514 E CA 1.055 57.582 56.400 0.212 0.000 0.800 514 E CB -0.146 29.718 29.700 0.273 0.000 0.746 514 E HN 0.469 nan 8.360 nan 0.000 0.452 515 A N 1.304 124.171 122.820 0.078 0.000 1.908 515 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 515 A C 2.068 179.701 177.584 0.082 0.000 1.181 515 A CA 1.927 54.001 52.037 0.061 0.000 0.627 515 A CB -0.448 18.553 19.000 0.002 0.000 0.818 515 A HN 0.172 nan 8.150 nan 0.000 0.445 516 E N 0.472 120.708 120.200 0.061 0.000 2.047 516 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 516 E C 1.426 177.989 176.600 -0.061 0.000 0.987 516 E CA 1.592 58.026 56.400 0.056 0.000 0.799 516 E CB -0.293 29.419 29.700 0.021 0.000 0.752 516 E HN 0.535 nan 8.360 nan 0.000 0.449 517 D N 0.140 120.502 120.400 -0.063 0.000 2.133 517 D HA -0.228 4.412 4.640 -0.000 0.000 0.195 517 D C 1.954 177.973 176.300 -0.469 0.000 0.997 517 D CA 1.387 55.322 54.000 -0.108 0.000 0.840 517 D CB -0.426 40.434 40.800 0.099 0.000 0.947 517 D HN 0.317 nan 8.370 nan 0.000 0.452 518 M N -0.209 118.886 119.600 -0.843 0.000 2.082 518 M HA -0.256 4.224 4.480 -0.000 0.000 0.258 518 M C 2.129 178.001 176.300 -0.713 0.000 1.069 518 M CA 1.456 55.961 55.300 -1.326 0.000 1.102 518 M CB -0.042 31.979 32.600 -0.965 0.000 1.336 518 M HN 0.008 nan 8.290 nan 0.000 0.404 519 M N 0.258 119.557 119.600 -0.501 0.000 2.080 519 M HA -0.165 4.315 4.480 -0.000 0.000 0.260 519 M C 1.794 177.868 176.300 -0.378 0.000 1.068 519 M CA 2.471 57.475 55.300 -0.494 0.000 1.109 519 M CB -0.977 31.378 32.600 -0.409 0.000 1.342 519 M HN 0.272 nan 8.290 nan 0.000 0.405 520 T N 0.088 114.489 114.554 -0.255 0.000 2.720 520 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 520 T C 1.501 176.115 174.700 -0.143 0.000 1.037 520 T CA 1.805 63.808 62.100 -0.161 0.000 1.144 520 T CB -0.655 68.165 68.868 -0.081 0.000 0.864 520 T HN 0.532 nan 8.240 nan 0.000 0.444 521 D N 0.613 120.928 120.400 -0.142 0.000 2.133 521 D HA -0.109 4.531 4.640 -0.000 0.000 0.195 521 D C 2.063 178.340 176.300 -0.039 0.000 0.997 521 D CA 1.036 55.061 54.000 0.043 0.000 0.840 521 D CB -0.263 40.681 40.800 0.240 0.000 0.947 521 D HN 0.296 nan 8.370 nan 0.000 0.452 522 M N -0.557 118.766 119.600 -0.463 0.000 2.108 522 M HA -0.195 4.285 4.480 -0.000 0.000 0.261 522 M C 2.049 178.048 176.300 -0.501 0.000 1.066 522 M CA 1.424 56.187 55.300 -0.896 0.000 1.107 522 M CB -0.178 31.662 32.600 -1.267 0.000 1.356 522 M HN 0.199 nan 8.290 nan 0.000 0.406 523 C N -0.492 118.615 119.300 -0.322 0.000 2.429 523 C HA -0.098 4.362 4.460 -0.000 0.000 0.277 523 C C 2.659 177.556 174.990 -0.155 0.000 1.262 523 C CA 0.850 59.781 59.018 -0.144 0.000 1.733 523 C CB -0.876 26.820 27.740 -0.074 0.000 2.010 523 C HN 0.503 nan 8.230 nan 0.000 0.483 524 V N 0.430 120.282 119.914 -0.104 0.000 2.379 524 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 524 V C 2.362 178.437 176.094 -0.032 0.000 1.044 524 V CA 2.074 64.343 62.300 -0.052 0.000 1.036 524 V CB -0.641 31.203 31.823 0.034 0.000 0.664 524 V HN 0.580 nan 8.190 nan 0.000 0.453 525 M N 0.802 120.423 119.600 0.034 0.000 2.175 525 M HA -0.158 4.322 4.480 -0.000 0.000 0.264 525 M C 2.442 178.639 176.300 -0.170 0.000 1.063 525 M CA 2.220 57.618 55.300 0.162 0.000 1.119 525 M CB -0.173 32.688 32.600 0.435 0.000 1.377 525 M HN 0.551 nan 8.290 nan 0.000 0.415 526 S N 0.555 115.847 115.700 -0.680 0.000 2.382 526 S HA -0.065 4.405 4.470 -0.000 0.000 0.228 526 S C 2.025 176.266 174.600 -0.598 0.000 1.027 526 S CA 0.987 58.422 58.200 -1.275 0.000 0.991 526 S CB -0.889 61.361 63.200 -1.584 0.000 0.823 526 S HN 0.579 nan 8.310 nan 0.000 0.469 527 A N 2.334 124.890 122.820 -0.440 0.000 2.024 527 A HA -0.082 4.238 4.320 -0.000 0.000 0.220 527 A C 2.174 179.646 177.584 -0.186 0.000 1.164 527 A CA 1.533 53.370 52.037 -0.333 0.000 0.643 527 A CB -0.622 18.204 19.000 -0.290 0.000 0.806 527 A HN 0.665 nan 8.150 nan 0.000 0.451 528 K N -0.722 119.614 120.400 -0.106 0.000 2.362 528 K HA -0.009 4.310 4.320 -0.000 0.000 0.200 528 K C 1.139 177.740 176.600 0.003 0.000 1.046 528 K CA 0.905 57.171 56.287 -0.034 0.000 0.952 528 K CB -0.045 32.468 32.500 0.023 0.000 0.753 528 K HN 0.438 nan 8.250 nan 0.000 0.466 529 I N -0.851 119.735 120.570 0.028 0.000 3.616 529 I HA 0.157 4.327 4.170 -0.000 0.000 0.296 529 I C 1.033 177.174 176.117 0.041 0.000 1.226 529 I CA 0.473 61.834 61.300 0.102 0.000 1.394 529 I CB 0.291 38.474 38.000 0.305 0.000 1.171 529 I HN 0.088 nan 8.210 nan 0.000 0.442 530 G N -0.382 108.390 108.800 -0.047 0.000 2.368 530 G HA2 0.441 4.401 3.960 -0.000 0.000 0.293 530 G HA3 0.441 4.401 3.960 -0.000 0.000 0.293 530 G C -0.560 174.202 174.900 -0.230 0.000 1.467 530 G CA -0.198 44.849 45.100 -0.088 0.000 0.804 530 G HN 0.227 nan 8.290 nan 0.000 0.535 531 G N -0.847 107.816 108.800 -0.228 0.000 2.594 531 G HA2 0.493 4.453 3.960 -0.000 0.000 0.243 531 G HA3 0.493 4.453 3.960 -0.000 0.000 0.243 531 G C -0.082 174.653 174.900 -0.275 0.000 1.229 531 G CA -0.374 44.515 45.100 -0.351 0.000 0.843 531 G HN 0.467 nan 8.290 nan 0.000 0.578 532 F N -0.248 119.616 119.950 -0.143 0.000 2.607 532 F HA 0.086 4.613 4.527 -0.000 0.000 0.374 532 F C 0.827 176.571 175.800 -0.093 0.000 1.104 532 F CA -0.738 57.172 58.000 -0.150 0.000 1.296 532 F CB 0.457 39.356 39.000 -0.169 0.000 1.085 532 F HN 0.176 nan 8.300 nan 0.000 0.584 533 L N 7.024 128.320 121.223 0.121 0.000 2.456 533 L HA 0.333 4.673 4.340 -0.000 0.000 0.277 533 L C -2.205 174.694 176.870 0.049 0.000 1.124 533 L CA -1.985 52.894 54.840 0.064 0.000 0.880 533 L CB -0.343 41.747 42.059 0.051 0.000 1.192 533 L HN 0.293 nan 8.230 nan 0.000 0.463 534 P HA 0.048 nan 4.420 nan 0.000 0.259 534 P C 0.817 178.127 177.300 0.017 0.000 1.155 534 P CA 1.340 64.454 63.100 0.024 0.000 0.759 534 P CB 0.255 31.969 31.700 0.023 0.000 0.753 535 G N 2.309 111.111 108.800 0.004 0.000 2.199 535 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.254 535 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.254 535 G C 0.360 175.276 174.900 0.027 0.000 0.982 535 G CA 0.287 45.397 45.100 0.017 0.000 0.632 535 G HN 0.560 nan 8.290 nan 0.000 0.529 536 S N 0.683 116.376 115.700 -0.013 0.000 2.665 536 S HA 0.510 4.980 4.470 -0.000 0.000 0.235 536 S C 0.415 174.876 174.600 -0.232 0.000 1.084 536 S CA -0.609 57.552 58.200 -0.064 0.000 1.151 536 S CB 0.395 63.566 63.200 -0.048 0.000 1.151 536 S HN 0.498 nan 8.310 nan 0.000 0.461 537 L N 2.874 123.957 121.223 -0.233 0.000 2.483 537 L HA 0.252 4.592 4.340 -0.000 0.000 0.275 537 L C -1.894 174.651 176.870 -0.542 0.000 1.220 537 L CA -1.764 52.812 54.840 -0.441 0.000 0.833 537 L CB -0.175 41.688 42.059 -0.326 0.000 1.102 537 L HN 0.095 nan 8.230 nan 0.000 0.490 538 P HA -0.021 nan 4.420 nan 0.000 0.263 538 P C -1.405 175.635 177.300 -0.433 0.000 1.195 538 P CA 0.186 62.888 63.100 -0.663 0.000 0.762 538 P CB 0.521 31.745 31.700 -0.793 0.000 0.799 539 Q N 2.077 121.661 119.800 -0.361 0.000 2.472 539 Q HA 0.446 4.786 4.340 -0.000 0.000 0.281 539 Q C -1.285 174.532 176.000 -0.305 0.000 0.997 539 Q CA -0.944 54.722 55.803 -0.227 0.000 0.828 539 Q CB 0.669 29.343 28.738 -0.106 0.000 1.443 539 Q HN 0.120 nan 8.270 nan 0.000 0.390 540 F N 1.634 121.485 119.950 -0.164 0.000 2.495 540 F HA 0.220 4.747 4.527 -0.000 0.000 0.365 540 F C 0.624 176.332 175.800 -0.154 0.000 1.090 540 F CA -0.137 57.763 58.000 -0.168 0.000 1.235 540 F CB 0.692 39.589 39.000 -0.171 0.000 1.119 540 F HN 0.367 nan 8.300 nan 0.000 0.562 541 M N 1.832 121.405 119.600 -0.046 0.000 2.288 541 M HA 0.174 4.654 4.480 -0.000 0.000 0.334 541 M C 0.059 176.309 176.300 -0.083 0.000 1.150 541 M CA -0.927 54.276 55.300 -0.162 0.000 1.118 541 M CB 0.589 32.957 32.600 -0.386 0.000 1.501 541 M HN 0.479 nan 8.290 nan 0.000 0.462 542 E N 2.356 122.487 120.200 -0.115 0.000 2.708 542 E HA -0.019 4.331 4.350 -0.000 0.000 0.260 542 E C -2.246 174.319 176.600 -0.059 0.000 0.937 542 E CA -0.336 56.020 56.400 -0.072 0.000 0.953 542 E CB -0.461 29.184 29.700 -0.092 0.000 0.915 542 E HN 0.244 nan 8.360 nan 0.000 0.487 543 P HA 0.020 nan 4.420 nan 0.000 0.262 543 P C 0.668 177.862 177.300 -0.177 0.000 1.199 543 P CA 1.142 64.233 63.100 -0.016 0.000 0.763 543 P CB 0.690 32.385 31.700 -0.008 0.000 0.790 544 G N 2.892 111.588 108.800 -0.173 0.000 2.213 544 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.236 544 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.236 544 G C 0.708 175.539 174.900 -0.116 0.000 0.991 544 G CA 0.022 44.989 45.100 -0.222 0.000 0.629 544 G HN 0.515 nan 8.290 nan 0.000 0.517 545 L N 1.099 122.260 121.223 -0.103 0.000 2.362 545 L HA 0.294 4.634 4.340 -0.000 0.000 0.219 545 L C 2.662 179.524 176.870 -0.014 0.000 1.134 545 L CA 2.158 56.952 54.840 -0.076 0.000 0.807 545 L CB -0.117 41.833 42.059 -0.181 0.000 0.927 545 L HN 0.388 nan 8.230 nan 0.000 0.447 546 V N -0.393 119.496 119.914 -0.041 0.000 2.667 546 V HA -0.091 4.029 4.120 -0.000 0.000 0.252 546 V C 1.507 177.542 176.094 -0.098 0.000 1.065 546 V CA 0.851 63.122 62.300 -0.048 0.000 1.083 546 V CB -0.169 31.636 31.823 -0.031 0.000 0.692 546 V HN 0.450 nan 8.190 nan 0.000 0.468 547 L N 0.416 121.646 121.223 0.011 0.000 3.548 547 L HA -0.239 4.101 4.340 -0.000 0.000 0.443 547 L C 0.214 177.258 176.870 0.290 0.000 1.286 547 L CA 0.816 55.732 54.840 0.127 0.000 0.863 547 L CB -2.446 39.733 42.059 0.200 0.000 1.734 547 L HN 0.569 nan 8.230 nan 0.000 0.873 548 H N -0.811 118.380 119.070 0.201 0.000 2.549 548 H HA 0.276 4.832 4.556 -0.000 0.000 0.253 548 H C 0.492 175.967 175.328 0.245 0.000 1.170 548 H CA -1.077 55.128 56.048 0.262 0.000 0.943 548 H CB 0.744 30.704 29.762 0.330 0.000 1.849 548 H HN 0.214 nan 8.280 nan 0.000 0.603 549 L N 2.236 123.612 121.223 0.256 0.000 2.628 549 L HA 0.102 4.442 4.340 -0.000 0.000 0.274 549 L C 0.633 177.642 176.870 0.232 0.000 1.209 549 L CA 0.826 55.765 54.840 0.166 0.000 0.930 549 L CB 0.170 42.289 42.059 0.101 0.000 1.183 549 L HN 0.304 nan 8.230 nan 0.000 0.492 550 G N 2.122 111.068 108.800 0.244 0.000 2.630 550 G HA2 0.557 4.517 3.960 -0.000 0.000 0.296 550 G HA3 0.557 4.517 3.960 -0.000 0.000 0.296 550 G C 0.389 175.400 174.900 0.185 0.000 1.285 550 G CA -0.308 44.958 45.100 0.277 0.000 0.958 550 G HN 1.302 nan 8.290 nan 0.000 0.479 551 G N -1.121 107.757 108.800 0.130 0.000 2.199 551 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.254 551 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.254 551 G C 1.474 176.438 174.900 0.107 0.000 0.982 551 G CA 1.412 46.590 45.100 0.131 0.000 0.632 551 G HN 1.874 nan 8.290 nan 0.000 0.529 552 T N -1.515 113.067 114.554 0.047 0.000 2.929 552 T HA 0.066 4.416 4.350 -0.000 0.000 0.271 552 T C 1.097 175.898 174.700 0.170 0.000 1.085 552 T CA 2.046 64.217 62.100 0.118 0.000 1.125 552 T CB -0.389 68.559 68.868 0.134 0.000 0.874 552 T HN 1.622 nan 8.240 nan 0.000 0.494 553 H N -0.488 118.662 119.070 0.132 0.000 2.946 553 H HA 0.450 5.006 4.556 -0.000 0.000 0.217 553 H C -0.120 175.255 175.328 0.078 0.000 1.393 553 H CA -1.314 54.786 56.048 0.088 0.000 1.306 553 H CB -0.358 29.422 29.762 0.030 0.000 2.062 553 H HN 0.382 nan 8.280 nan 0.000 0.520 554 R N 0.762 121.345 120.500 0.139 0.000 2.641 554 R HA 0.290 4.630 4.340 -0.000 0.000 0.269 554 R C -0.368 175.994 176.300 0.103 0.000 1.074 554 R CA -0.697 55.457 56.100 0.090 0.000 1.133 554 R CB 0.974 31.322 30.300 0.080 0.000 1.029 554 R HN 0.476 nan 8.270 nan 0.000 0.488 555 M N 1.554 121.192 119.600 0.064 0.000 2.314 555 M HA 0.452 4.932 4.480 -0.000 0.000 0.342 555 M C -0.515 175.788 176.300 0.006 0.000 1.171 555 M CA 0.214 55.530 55.300 0.027 0.000 1.098 555 M CB 1.594 34.183 32.600 -0.019 0.000 1.559 555 M HN 0.960 nan 8.290 nan 0.000 0.459 556 G N 2.152 110.963 108.800 0.018 0.000 2.548 556 G HA2 0.385 4.345 3.960 -0.000 0.000 0.301 556 G HA3 0.385 4.345 3.960 -0.000 0.000 0.301 556 G C -0.888 173.984 174.900 -0.047 0.000 1.349 556 G CA -0.674 44.381 45.100 -0.075 0.000 0.792 556 G HN 0.662 nan 8.290 nan 0.000 0.481 557 F N 0.085 120.128 119.950 0.154 0.000 2.187 557 F HA 0.235 4.762 4.527 -0.000 0.000 0.295 557 F C 1.205 177.112 175.800 0.179 0.000 1.091 557 F CA 1.206 59.297 58.000 0.152 0.000 1.308 557 F CB 0.528 39.580 39.000 0.088 0.000 1.030 557 F HN 0.283 nan 8.300 nan 0.000 0.487 558 D N -0.415 120.139 120.400 0.256 0.000 2.757 558 D HA 0.055 4.695 4.640 -0.000 0.000 0.249 558 D C 0.586 176.745 176.300 -0.235 0.000 1.168 558 D CA -0.109 53.903 54.000 0.020 0.000 0.870 558 D CB 1.902 42.729 40.800 0.045 0.000 1.411 558 D HN 0.223 nan 8.370 nan 0.000 0.525 559 E N 3.332 123.091 120.200 -0.736 0.000 2.058 559 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 559 E C 1.188 177.591 176.600 -0.328 0.000 0.997 559 E CA 1.198 57.082 56.400 -0.861 0.000 0.801 559 E CB 0.382 29.428 29.700 -1.091 0.000 0.746 559 E HN 0.344 nan 8.360 nan 0.000 0.450 560 K N 0.100 120.362 120.400 -0.230 0.000 2.005 560 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 560 K C 2.217 178.778 176.600 -0.065 0.000 1.044 560 K CA 1.321 57.542 56.287 -0.110 0.000 0.942 560 K CB -0.070 32.383 32.500 -0.077 0.000 0.727 560 K HN 0.176 nan 8.250 nan 0.000 0.439 561 E N 0.670 120.841 120.200 -0.048 0.000 2.110 561 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 561 E C 0.819 177.415 176.600 -0.006 0.000 0.988 561 E CA 1.045 57.439 56.400 -0.010 0.000 0.804 561 E CB 0.076 29.783 29.700 0.012 0.000 0.745 561 E HN 0.279 nan 8.360 nan 0.000 0.458 562 D N 0.096 120.488 120.400 -0.014 0.000 2.368 562 D HA 0.049 4.689 4.640 -0.000 0.000 0.218 562 D C -0.606 175.628 176.300 -0.110 0.000 1.112 562 D CA -0.018 53.970 54.000 -0.020 0.000 0.834 562 D CB 0.009 40.837 40.800 0.047 0.000 0.953 562 D HN 0.072 nan 8.370 nan 0.000 0.505 563 N N 0.500 119.127 118.700 -0.121 0.000 2.667 563 N HA -0.190 4.550 4.740 -0.000 0.000 0.263 563 N C -0.218 175.196 175.510 -0.160 0.000 1.038 563 N CA 0.635 53.583 53.050 -0.170 0.000 0.749 563 N CB -1.443 36.827 38.487 -0.362 0.000 0.892 563 N HN 0.423 nan 8.380 nan 0.000 0.546 564 C N -3.487 115.790 119.300 -0.039 0.000 3.259 564 C HA 0.796 5.256 4.460 -0.000 0.000 0.328 564 C C 1.429 176.564 174.990 0.242 0.000 1.425 564 C CA -0.562 58.511 59.018 0.091 0.000 1.465 564 C CB 1.548 29.374 27.740 0.143 0.000 1.890 564 C HN 0.491 nan 8.230 nan 0.000 0.450 565 C N 0.196 119.699 119.300 0.338 0.000 3.123 565 C HA 0.495 4.955 4.460 -0.000 0.000 0.399 565 C C 0.585 175.714 174.990 0.231 0.000 1.320 565 C CA 0.537 59.762 59.018 0.344 0.000 1.949 565 C CB -0.419 27.437 27.740 0.193 0.000 2.692 565 C HN 0.961 nan 8.230 nan 0.000 0.623 566 V N 1.394 121.340 119.914 0.052 0.000 2.876 566 V HA 0.690 4.810 4.120 -0.000 0.000 0.312 566 V C -0.729 175.072 176.094 -0.488 0.000 1.085 566 V CA -0.644 61.421 62.300 -0.391 0.000 0.945 566 V CB 1.476 33.178 31.823 -0.201 0.000 1.017 566 V HN 0.401 nan 8.190 nan 0.000 0.428 567 N N 1.531 119.724 118.700 -0.845 0.000 2.366 567 N HA 0.224 4.964 4.740 -0.000 0.000 0.277 567 N C 1.044 176.406 175.510 -0.247 0.000 1.275 567 N CA 0.324 53.113 53.050 -0.434 0.000 0.964 567 N CB 0.073 38.308 38.487 -0.419 0.000 1.167 567 N HN 0.958 nan 8.380 nan 0.000 0.568 568 T N -4.769 109.673 114.554 -0.188 0.000 3.160 568 T HA 0.048 4.398 4.350 -0.000 0.000 0.257 568 T C 0.096 174.712 174.700 -0.140 0.000 1.147 568 T CA 0.469 62.460 62.100 -0.182 0.000 1.064 568 T CB -0.377 68.380 68.868 -0.186 0.000 0.949 568 T HN 0.454 nan 8.240 nan 0.000 0.526 569 D N 0.854 121.163 120.400 -0.151 0.000 2.349 569 D HA 0.180 4.820 4.640 -0.000 0.000 0.214 569 D C 0.524 176.828 176.300 0.005 0.000 1.063 569 D CA 0.103 54.037 54.000 -0.110 0.000 0.847 569 D CB 0.252 40.874 40.800 -0.297 0.000 0.933 569 D HN 0.332 nan 8.370 nan 0.000 0.513 570 S N 0.209 115.872 115.700 -0.061 0.000 3.482 570 S HA -0.216 4.254 4.470 -0.000 0.000 0.294 570 S C 0.471 175.048 174.600 -0.039 0.000 1.244 570 S CA 0.345 58.547 58.200 0.003 0.000 0.911 570 S CB -1.226 62.062 63.200 0.146 0.000 1.070 570 S HN 0.442 nan 8.310 nan 0.000 0.614 571 R N 1.142 121.490 120.500 -0.253 0.000 2.349 571 R HA 0.498 4.838 4.340 -0.000 0.000 0.299 571 R C -0.057 175.901 176.300 -0.569 0.000 1.027 571 R CA -0.391 55.345 56.100 -0.606 0.000 0.958 571 R CB 0.738 30.601 30.300 -0.728 0.000 1.047 571 R HN 0.136 nan 8.270 nan 0.000 0.468 572 V N 6.021 125.633 119.914 -0.503 0.000 2.521 572 V HA 0.039 4.159 4.120 -0.000 0.000 0.286 572 V C 0.064 176.069 176.094 -0.148 0.000 1.034 572 V CA 0.145 62.248 62.300 -0.329 0.000 1.045 572 V CB 0.059 31.686 31.823 -0.327 0.000 0.974 572 V HN 0.560 nan 8.190 nan 0.000 0.480 573 F N 3.816 123.796 119.950 0.050 0.000 2.623 573 F HA 0.404 4.931 4.527 -0.000 0.000 0.383 573 F C 1.569 177.495 175.800 0.210 0.000 1.077 573 F CA 1.486 59.542 58.000 0.094 0.000 1.268 573 F CB 0.005 39.053 39.000 0.081 0.000 1.053 573 F HN 0.770 nan 8.300 nan 0.000 0.571 574 G N 1.926 110.898 108.800 0.286 0.000 2.258 574 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.233 574 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.233 574 G C -0.223 174.636 174.900 -0.069 0.000 1.006 574 G CA -0.534 44.629 45.100 0.105 0.000 0.620 574 G HN 0.456 nan 8.290 nan 0.000 0.511 575 F N 0.906 120.875 119.950 0.032 0.000 2.482 575 F HA 0.592 5.119 4.527 -0.000 0.000 0.331 575 F C 1.306 177.099 175.800 -0.012 0.000 1.115 575 F CA -0.815 57.198 58.000 0.021 0.000 0.955 575 F CB 1.903 40.918 39.000 0.025 0.000 1.136 575 F HN -0.116 nan 8.300 nan 0.000 0.452 576 K N 1.129 121.652 120.400 0.204 0.000 2.217 576 K HA -0.066 4.254 4.320 -0.000 0.000 0.202 576 K C 0.658 177.474 176.600 0.359 0.000 1.051 576 K CA 1.143 57.577 56.287 0.245 0.000 0.952 576 K CB 0.016 32.667 32.500 0.252 0.000 0.736 576 K HN 0.578 nan 8.250 nan 0.000 0.453 577 N N 0.007 118.874 118.700 0.279 0.000 2.390 577 N HA 0.030 4.770 4.740 -0.000 0.000 0.259 577 N C -1.010 174.630 175.510 0.217 0.000 1.395 577 N CA -0.324 52.930 53.050 0.340 0.000 0.852 577 N CB 0.052 38.784 38.487 0.409 0.000 1.371 577 N HN -0.044 nan 8.380 nan 0.000 0.491 578 L N 0.743 121.896 121.223 -0.117 0.000 2.349 578 L HA 0.729 5.069 4.340 -0.000 0.000 0.278 578 L C -1.864 174.663 176.870 -0.573 0.000 0.996 578 L CA -0.559 54.168 54.840 -0.187 0.000 0.825 578 L CB 0.875 42.778 42.059 -0.260 0.000 1.243 578 L HN -0.021 nan 8.230 nan 0.000 0.412 579 F N 4.945 124.803 119.950 -0.154 0.000 2.565 579 F HA 0.627 5.154 4.527 -0.000 0.000 0.313 579 F C -0.599 175.040 175.800 -0.269 0.000 1.091 579 F CA -0.710 57.179 58.000 -0.186 0.000 0.915 579 F CB 1.868 40.778 39.000 -0.151 0.000 1.208 579 F HN 0.190 nan 8.300 nan 0.000 0.453 580 L N 2.234 123.403 121.223 -0.090 0.000 2.329 580 L HA 0.861 5.201 4.340 -0.000 0.000 0.279 580 L C 0.157 177.042 176.870 0.025 0.000 1.014 580 L CA -0.751 53.980 54.840 -0.183 0.000 0.814 580 L CB 1.724 43.537 42.059 -0.410 0.000 1.257 580 L HN 0.794 nan 8.230 nan 0.000 0.424 581 G N 0.582 109.417 108.800 0.058 0.000 2.524 581 G HA2 0.791 4.751 3.960 -0.000 0.000 0.310 581 G HA3 0.791 4.751 3.960 -0.000 0.000 0.310 581 G C -0.500 174.536 174.900 0.225 0.000 1.279 581 G CA -0.285 44.956 45.100 0.235 0.000 0.974 581 G HN 0.950 nan 8.290 nan 0.000 0.484 582 G N -1.249 107.669 108.800 0.196 0.000 2.354 582 G HA2 0.066 4.026 3.960 -0.000 0.000 0.582 582 G HA3 0.066 4.026 3.960 -0.000 0.000 0.582 582 G C 0.779 175.731 174.900 0.086 0.000 1.316 582 G CA 0.045 45.233 45.100 0.146 0.000 0.995 582 G HN 1.155 nan 8.290 nan 0.000 0.573 583 C N 0.474 119.805 119.300 0.052 0.000 2.409 583 C HA 0.149 4.609 4.460 -0.000 0.000 0.284 583 C C 2.992 177.957 174.990 -0.041 0.000 1.354 583 C CA 1.953 60.983 59.018 0.021 0.000 1.787 583 C CB -1.300 26.488 27.740 0.081 0.000 1.900 583 C HN 1.276 nan 8.230 nan 0.000 0.520 584 G N 0.675 109.353 108.800 -0.203 0.000 2.559 584 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 584 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 584 G C 1.407 175.934 174.900 -0.622 0.000 1.126 584 G CA 0.526 45.249 45.100 -0.629 0.000 0.778 584 G HN 0.539 nan 8.290 nan 0.000 0.543 585 N N 0.341 118.888 118.700 -0.255 0.000 2.354 585 N HA 0.041 4.781 4.740 -0.000 0.000 0.179 585 N C 0.908 176.430 175.510 0.020 0.000 1.021 585 N CA 0.094 53.145 53.050 0.001 0.000 0.887 585 N CB 0.067 38.612 38.487 0.097 0.000 0.974 585 N HN 0.299 nan 8.380 nan 0.000 0.437 586 I N 2.754 123.337 120.570 0.023 0.000 2.517 586 I HA 0.035 4.205 4.170 -0.000 0.000 0.285 586 I C -1.422 174.789 176.117 0.155 0.000 1.106 586 I CA -0.843 60.505 61.300 0.080 0.000 1.402 586 I CB 1.132 39.139 38.000 0.011 0.000 1.399 586 I HN -0.043 nan 8.210 nan 0.000 0.535 587 P HA 0.099 nan 4.420 nan 0.000 0.282 587 P C 0.114 177.508 177.300 0.157 0.000 1.327 587 P CA 0.117 63.297 63.100 0.132 0.000 0.949 587 P CB 0.410 32.150 31.700 0.067 0.000 1.445 588 T N -2.208 112.470 114.554 0.208 0.000 2.897 588 T HA 0.707 5.057 4.350 -0.000 0.000 0.278 588 T C 0.152 174.972 174.700 0.200 0.000 0.981 588 T CA -0.867 61.338 62.100 0.175 0.000 0.973 588 T CB 1.211 70.154 68.868 0.126 0.000 1.092 588 T HN 0.041 nan 8.240 nan 0.000 0.543 589 A N 1.704 124.577 122.820 0.088 0.000 2.302 589 A HA 0.626 4.946 4.320 -0.000 0.000 0.295 589 A C -0.711 176.821 177.584 -0.087 0.000 1.235 589 A CA -0.848 51.187 52.037 -0.004 0.000 0.876 589 A CB -0.879 18.141 19.000 0.033 0.000 1.133 589 A HN 0.896 nan 8.150 nan 0.000 0.533 590 Y N -0.524 119.691 120.300 -0.142 0.000 2.524 590 Y HA 0.720 5.270 4.550 -0.000 0.000 0.347 590 Y C 0.632 176.413 175.900 -0.197 0.000 1.005 590 Y CA -0.623 57.217 58.100 -0.434 0.000 1.025 590 Y CB 1.408 39.417 38.460 -0.751 0.000 1.275 590 Y HN 0.397 nan 8.280 nan 0.000 0.460 591 G N 0.453 109.184 108.800 -0.115 0.000 2.748 591 G HA2 0.433 4.393 3.960 -0.000 0.000 0.204 591 G HA3 0.433 4.393 3.960 -0.000 0.000 0.204 591 G C 0.373 175.382 174.900 0.183 0.000 1.095 591 G CA 0.171 45.392 45.100 0.202 0.000 0.775 591 G HN 0.952 nan 8.290 nan 0.000 0.531 592 A N 0.784 123.553 122.820 -0.086 0.000 2.327 592 A HA 0.512 4.832 4.320 -0.000 0.000 0.255 592 A C -0.062 177.439 177.584 -0.137 0.000 1.099 592 A CA -0.471 51.394 52.037 -0.286 0.000 0.801 592 A CB 0.082 18.936 19.000 -0.244 0.000 1.062 592 A HN 0.341 nan 8.150 nan 0.000 0.496 593 N N 1.513 119.985 118.700 -0.380 0.000 2.492 593 N HA 0.274 5.014 4.740 -0.000 0.000 0.262 593 N C -2.043 173.379 175.510 -0.145 0.000 1.202 593 N CA -1.063 51.752 53.050 -0.392 0.000 0.926 593 N CB 0.425 38.731 38.487 -0.300 0.000 1.078 593 N HN 0.403 nan 8.380 nan 0.000 0.454 594 P HA 0.013 nan 4.420 nan 0.000 0.245 594 P C 0.436 177.633 177.300 -0.172 0.000 1.203 594 P CA 0.631 63.629 63.100 -0.170 0.000 0.792 594 P CB 0.315 31.912 31.700 -0.172 0.000 0.997 595 T N 0.941 115.471 114.554 -0.041 0.000 2.788 595 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 595 T C 1.756 176.527 174.700 0.119 0.000 1.044 595 T CA 0.960 63.095 62.100 0.058 0.000 1.139 595 T CB -0.681 68.253 68.868 0.110 0.000 0.867 595 T HN 0.029 nan 8.240 nan 0.000 0.454 596 L N 1.010 122.301 121.223 0.113 0.000 2.056 596 L HA -0.028 4.312 4.340 -0.000 0.000 0.207 596 L C 2.489 179.422 176.870 0.105 0.000 1.078 596 L CA 1.668 56.636 54.840 0.214 0.000 0.749 596 L CB -1.042 41.137 42.059 0.200 0.000 0.901 596 L HN 0.132 nan 8.230 nan 0.000 0.433 597 T N -0.021 114.469 114.554 -0.107 0.000 2.720 597 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 597 T C 1.919 176.541 174.700 -0.130 0.000 1.037 597 T CA 1.420 63.372 62.100 -0.247 0.000 1.144 597 T CB -0.566 67.783 68.868 -0.865 0.000 0.864 597 T HN 0.537 nan 8.240 nan 0.000 0.444 598 A N 1.425 124.174 122.820 -0.118 0.000 1.908 598 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 598 A C 2.317 179.870 177.584 -0.052 0.000 1.181 598 A CA 1.873 53.877 52.037 -0.054 0.000 0.627 598 A CB -0.748 18.239 19.000 -0.021 0.000 0.818 598 A HN 0.527 nan 8.150 nan 0.000 0.445 599 M N -0.148 119.428 119.600 -0.040 0.000 2.117 599 M HA -0.157 4.323 4.480 -0.000 0.000 0.262 599 M C 2.150 178.359 176.300 -0.152 0.000 1.065 599 M CA 2.107 57.353 55.300 -0.091 0.000 1.114 599 M CB -0.201 32.352 32.600 -0.078 0.000 1.361 599 M HN 0.403 nan 8.290 nan 0.000 0.408 600 S N 1.179 116.787 115.700 -0.153 0.000 2.374 600 S HA -0.173 4.297 4.470 -0.000 0.000 0.227 600 S C 1.742 176.148 174.600 -0.324 0.000 1.037 600 S CA 1.535 59.574 58.200 -0.268 0.000 1.024 600 S CB -0.579 62.407 63.200 -0.356 0.000 0.861 600 S HN 0.526 nan 8.310 nan 0.000 0.456 601 L N 0.831 121.907 121.223 -0.246 0.000 2.156 601 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 601 L C 2.744 179.485 176.870 -0.216 0.000 1.095 601 L CA 0.982 55.684 54.840 -0.231 0.000 0.770 601 L CB -0.634 41.361 42.059 -0.107 0.000 0.914 601 L HN 0.324 nan 8.230 nan 0.000 0.439 602 A N 0.393 123.073 122.820 -0.234 0.000 1.898 602 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 602 A C 2.209 179.481 177.584 -0.521 0.000 1.181 602 A CA 1.258 53.040 52.037 -0.426 0.000 0.620 602 A CB -0.573 18.146 19.000 -0.468 0.000 0.819 602 A HN 0.321 nan 8.150 nan 0.000 0.442 603 I N -0.413 119.940 120.570 -0.360 0.000 2.208 603 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 603 I C 2.544 178.502 176.117 -0.264 0.000 1.097 603 I CA 1.892 63.020 61.300 -0.287 0.000 1.363 603 I CB -0.192 37.667 38.000 -0.235 0.000 1.051 603 I HN 0.373 nan 8.210 nan 0.000 0.413 604 K N 0.402 120.641 120.400 -0.269 0.000 2.057 604 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 604 K C 2.364 178.878 176.600 -0.143 0.000 1.050 604 K CA 1.628 57.784 56.287 -0.217 0.000 0.935 604 K CB -0.098 32.239 32.500 -0.272 0.000 0.715 604 K HN 0.121 nan 8.250 nan 0.000 0.439 605 S N 0.095 115.697 115.700 -0.164 0.000 2.383 605 S HA -0.176 4.293 4.470 -0.000 0.000 0.229 605 S C 2.027 176.556 174.600 -0.119 0.000 1.030 605 S CA 1.499 59.654 58.200 -0.075 0.000 1.002 605 S CB -0.445 62.760 63.200 0.009 0.000 0.829 605 S HN 0.558 nan 8.310 nan 0.000 0.467 606 C N 1.372 120.520 119.300 -0.255 0.000 2.435 606 C HA 0.038 4.498 4.460 -0.000 0.000 0.279 606 C C 2.507 177.422 174.990 -0.125 0.000 1.321 606 C CA 0.593 59.472 59.018 -0.231 0.000 1.752 606 C CB -1.390 26.171 27.740 -0.297 0.000 1.959 606 C HN 0.679 nan 8.230 nan 0.000 0.500 607 E N -0.610 119.539 120.200 -0.085 0.000 2.072 607 E HA -0.232 4.118 4.350 -0.000 0.000 0.191 607 E C 1.817 178.429 176.600 0.020 0.000 0.985 607 E CA 1.328 57.706 56.400 -0.036 0.000 0.801 607 E CB -0.294 29.379 29.700 -0.045 0.000 0.750 607 E HN 0.814 nan 8.360 nan 0.000 0.452 608 Y N 1.493 121.767 120.300 -0.044 0.000 2.070 608 Y HA -0.264 4.286 4.550 -0.000 0.000 0.280 608 Y C 2.062 177.988 175.900 0.043 0.000 1.148 608 Y CA 1.719 59.832 58.100 0.021 0.000 1.125 608 Y CB -0.214 38.299 38.460 0.088 0.000 0.975 608 Y HN -0.067 nan 8.280 nan 0.000 0.492 609 I N 0.455 121.070 120.570 0.075 0.000 2.194 609 I HA -0.386 3.784 4.170 -0.000 0.000 0.246 609 I C 2.269 178.399 176.117 0.022 0.000 1.093 609 I CA 1.863 63.171 61.300 0.014 0.000 1.355 609 I CB -0.460 37.346 38.000 -0.323 0.000 1.046 609 I HN 0.240 nan 8.210 nan 0.000 0.413 610 K N 0.229 120.606 120.400 -0.038 0.000 2.209 610 K HA -0.194 4.126 4.320 -0.000 0.000 0.204 610 K C 2.016 178.665 176.600 0.081 0.000 1.048 610 K CA 1.136 57.473 56.287 0.082 0.000 0.940 610 K CB -0.127 32.411 32.500 0.065 0.000 0.729 610 K HN 0.482 nan 8.250 nan 0.000 0.451 611 Q N -0.252 119.521 119.800 -0.045 0.000 2.398 611 Q HA 0.065 4.405 4.340 -0.000 0.000 0.204 611 Q C 1.036 176.932 176.000 -0.174 0.000 0.932 611 Q CA 0.495 56.238 55.803 -0.099 0.000 0.916 611 Q CB 0.453 29.098 28.738 -0.156 0.000 1.024 611 Q HN 0.320 nan 8.270 nan 0.000 0.504 612 N N -0.932 117.618 118.700 -0.249 0.000 2.171 612 N HA 0.151 4.891 4.740 -0.000 0.000 0.212 612 N C -0.910 174.203 175.510 -0.662 0.000 1.184 612 N CA 0.235 52.991 53.050 -0.491 0.000 0.888 612 N CB 0.945 38.955 38.487 -0.795 0.000 1.038 612 N HN -0.016 nan 8.380 nan 0.000 0.517 613 F N 0.241 120.214 119.950 0.038 0.000 2.588 613 F HA 0.329 4.856 4.527 -0.000 0.000 0.310 613 F C 0.041 175.965 175.800 0.207 0.000 1.082 613 F CA -0.695 57.383 58.000 0.130 0.000 0.929 613 F CB 1.868 40.960 39.000 0.153 0.000 1.254 613 F HN -0.371 nan 8.300 nan 0.000 0.455 614 T N 3.648 118.376 114.554 0.289 0.000 2.771 614 T HA 0.439 4.789 4.350 -0.000 0.000 0.281 614 T C -2.588 172.121 174.700 0.016 0.000 0.982 614 T CA -1.429 60.737 62.100 0.110 0.000 0.978 614 T CB 1.190 70.086 68.868 0.047 0.000 0.930 614 T HN 0.129 nan 8.240 nan 0.000 0.447 615 P HA 0.181 nan 4.420 nan 0.000 0.269 615 P C -0.077 177.152 177.300 -0.118 0.000 1.209 615 P CA -0.516 62.358 63.100 -0.377 0.000 0.776 615 P CB 0.317 31.581 31.700 -0.726 0.000 0.876 616 S N 2.293 117.965 115.700 -0.046 0.000 2.585 616 S HA 0.327 4.797 4.470 -0.000 0.000 0.273 616 S C -2.232 172.360 174.600 -0.013 0.000 1.339 616 S CA -1.066 57.125 58.200 -0.015 0.000 1.028 616 S CB -1.007 62.190 63.200 -0.006 0.000 0.906 616 S HN 0.290 nan 8.310 nan 0.000 0.528 617 P HA 0.184 nan 4.420 nan 0.000 0.266 617 P C -0.549 176.785 177.300 0.057 0.000 1.195 617 P CA -0.157 62.962 63.100 0.032 0.000 0.768 617 P CB 0.161 31.871 31.700 0.017 0.000 0.838 618 F N 0.000 119.932 119.950 -0.029 0.000 2.286 618 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 618 F CA 0.000 57.989 58.000 -0.019 0.000 1.383 618 F CB 0.000 38.990 39.000 -0.017 0.000 1.145 618 F HN 0.000 nan 8.300 nan 0.000 0.574