REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3bg6_1_C DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFMK DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.286 176.300 -0.024 0.000 1.140 43 M CA 0.000 55.349 55.300 0.081 0.000 0.988 43 M CB 0.000 32.472 32.600 -0.213 0.000 1.302 44 D N 4.729 125.134 120.400 0.008 0.000 2.361 44 D HA 0.230 4.870 4.640 0.001 0.000 0.239 44 D C 1.233 177.475 176.300 -0.097 0.000 1.200 44 D CA -0.025 53.897 54.000 -0.129 0.000 0.915 44 D CB 0.942 41.530 40.800 -0.355 0.000 1.170 44 D HN 0.782 nan 8.370 nan 0.000 0.444 45 I N -2.855 117.646 120.570 -0.114 0.000 4.018 45 I HA 0.238 4.408 4.170 0.001 0.000 0.337 45 I C 0.236 176.332 176.117 -0.035 0.000 1.327 45 I CA -0.229 61.063 61.300 -0.012 0.000 1.100 45 I CB 0.163 38.170 38.000 0.011 0.000 1.025 45 I HN -0.076 nan 8.210 nan 0.000 0.396 46 K N 1.604 121.827 120.400 -0.295 0.000 2.450 46 K HA 0.532 4.853 4.320 0.001 0.000 0.257 46 K C -1.905 174.339 176.600 -0.593 0.000 0.953 46 K CA -0.473 55.649 56.287 -0.276 0.000 0.844 46 K CB 0.879 33.283 32.500 -0.161 0.000 1.103 46 K HN 0.155 nan 8.250 nan 0.000 0.429 47 Y N 0.966 121.257 120.300 -0.015 0.000 2.634 47 Y HA 0.283 4.833 4.550 0.001 0.000 0.340 47 Y C 0.799 176.674 175.900 -0.041 0.000 1.058 47 Y CA -0.800 57.283 58.100 -0.029 0.000 1.081 47 Y CB 1.795 40.237 38.460 -0.030 0.000 1.295 47 Y HN 0.547 nan 8.280 nan 0.000 0.487 48 D N 0.011 120.500 120.400 0.148 0.000 2.137 48 D HA 0.046 4.687 4.640 0.001 0.000 0.202 48 D C -0.328 175.970 176.300 -0.003 0.000 0.970 48 D CA 1.403 55.469 54.000 0.111 0.000 0.837 48 D CB 0.309 41.251 40.800 0.236 0.000 0.981 48 D HN 0.109 nan 8.370 nan 0.000 0.475 49 V N 1.149 121.056 119.914 -0.012 0.000 2.638 49 V HA 0.382 4.503 4.120 0.001 0.000 0.306 49 V C -0.313 175.693 176.094 -0.148 0.000 1.052 49 V CA -1.084 61.116 62.300 -0.166 0.000 0.885 49 V CB 2.485 34.179 31.823 -0.214 0.000 0.999 49 V HN -0.012 nan 8.190 nan 0.000 0.424 50 V N 2.918 122.700 119.914 -0.220 0.000 2.495 50 V HA 0.759 4.879 4.120 0.001 0.000 0.298 50 V C -0.662 175.378 176.094 -0.089 0.000 1.031 50 V CA -0.556 61.675 62.300 -0.115 0.000 0.871 50 V CB 1.606 33.419 31.823 -0.015 0.000 0.988 50 V HN 0.692 nan 8.190 nan 0.000 0.432 51 I N 4.588 125.135 120.570 -0.038 0.000 2.406 51 I HA 0.491 4.661 4.170 0.001 0.000 0.290 51 I C -0.523 175.622 176.117 0.047 0.000 0.999 51 I CA -0.909 60.355 61.300 -0.060 0.000 1.124 51 I CB 2.219 40.168 38.000 -0.084 0.000 1.289 51 I HN 0.450 nan 8.210 nan 0.000 0.441 52 V N 5.637 125.557 119.914 0.010 0.000 2.333 52 V HA 0.798 4.919 4.120 0.001 0.000 0.274 52 V C 0.459 176.560 176.094 0.012 0.000 1.028 52 V CA -0.291 62.035 62.300 0.043 0.000 0.851 52 V CB 0.484 32.307 31.823 -0.001 0.000 1.000 52 V HN 1.063 nan 8.190 nan 0.000 0.456 53 G N 3.924 112.747 108.800 0.037 0.000 2.906 53 G HA2 -0.010 3.950 3.960 0.001 0.000 0.686 53 G HA3 -0.010 3.950 3.960 0.001 0.000 0.686 53 G C -0.042 174.874 174.900 0.027 0.000 1.170 53 G CA -0.249 44.865 45.100 0.024 0.000 0.775 53 G HN 1.273 nan 8.290 nan 0.000 0.630 54 S N 0.942 116.660 115.700 0.030 0.000 2.588 54 S HA 0.601 5.072 4.470 0.001 0.000 0.245 54 S C 1.299 175.912 174.600 0.021 0.000 1.021 54 S CA 0.735 58.959 58.200 0.040 0.000 1.006 54 S CB 0.568 63.801 63.200 0.056 0.000 0.830 54 S HN 1.936 nan 8.310 nan 0.000 0.468 55 G N 2.659 111.461 108.800 0.004 0.000 2.611 55 G HA2 0.388 4.349 3.960 0.001 0.000 0.273 55 G HA3 0.388 4.349 3.960 0.001 0.000 0.273 55 G C -1.184 173.696 174.900 -0.033 0.000 1.305 55 G CA -1.276 43.808 45.100 -0.026 0.000 1.010 55 G HN 0.250 nan 8.290 nan 0.000 0.509 56 P HA -0.050 nan 4.420 nan 0.000 0.222 56 P C 1.633 178.882 177.300 -0.085 0.000 1.147 56 P CA 0.700 63.754 63.100 -0.078 0.000 0.790 56 P CB 0.212 31.881 31.700 -0.051 0.000 0.780 57 I N -0.005 120.546 120.570 -0.031 0.000 2.400 57 I HA 0.002 4.172 4.170 0.001 0.000 0.248 57 I C 2.686 178.858 176.117 0.092 0.000 1.109 57 I CA 1.398 62.709 61.300 0.018 0.000 1.425 57 I CB -2.225 35.812 38.000 0.062 0.000 1.094 57 I HN -0.008 nan 8.210 nan 0.000 0.425 58 G N 0.318 109.155 108.800 0.062 0.000 2.469 58 G HA2 -0.252 3.708 3.960 0.001 0.000 0.220 58 G HA3 -0.252 3.708 3.960 0.001 0.000 0.220 58 G C 1.723 176.626 174.900 0.004 0.000 1.136 58 G CA 1.058 46.190 45.100 0.053 0.000 0.759 58 G HN 0.411 nan 8.290 nan 0.000 0.562 59 C N 0.546 119.821 119.300 -0.042 0.000 2.468 59 C HA 0.083 4.543 4.460 0.001 0.000 0.277 59 C C 3.141 178.009 174.990 -0.203 0.000 1.400 59 C CA 1.210 60.160 59.018 -0.114 0.000 1.770 59 C CB -0.872 26.852 27.740 -0.027 0.000 1.905 59 C HN 0.455 nan 8.230 nan 0.000 0.519 60 T N 0.173 114.633 114.554 -0.157 0.000 2.708 60 T HA -0.165 4.185 4.350 0.001 0.000 0.266 60 T C 1.454 176.001 174.700 -0.255 0.000 1.037 60 T CA 1.606 63.584 62.100 -0.205 0.000 1.146 60 T CB -0.435 68.328 68.868 -0.175 0.000 0.865 60 T HN 0.541 nan 8.240 nan 0.000 0.435 61 Y N 1.595 121.762 120.300 -0.222 0.000 2.165 61 Y HA -0.113 4.437 4.550 0.001 0.000 0.286 61 Y C 2.773 178.462 175.900 -0.353 0.000 1.155 61 Y CA 1.058 59.005 58.100 -0.256 0.000 1.164 61 Y CB -0.707 37.621 38.460 -0.221 0.000 0.978 61 Y HN 0.209 nan 8.280 nan 0.000 0.513 62 A N 0.013 122.639 122.820 -0.323 0.000 1.873 62 A HA -0.203 4.117 4.320 0.001 0.000 0.215 62 A C 2.302 179.325 177.584 -0.935 0.000 1.186 62 A CA 1.691 53.298 52.037 -0.716 0.000 0.616 62 A CB -0.730 17.619 19.000 -1.086 0.000 0.823 62 A HN 0.414 nan 8.150 nan 0.000 0.442 63 R N -0.243 119.776 120.500 -0.801 0.000 2.080 63 R HA -0.173 4.167 4.340 0.001 0.000 0.236 63 R C 2.065 178.174 176.300 -0.319 0.000 1.137 63 R CA 1.854 57.643 56.100 -0.519 0.000 0.943 63 R CB -0.321 29.703 30.300 -0.459 0.000 0.846 63 R HN 0.592 nan 8.270 nan 0.000 0.431 64 E N 0.426 120.467 120.200 -0.265 0.000 2.051 64 E HA -0.199 4.151 4.350 0.001 0.000 0.192 64 E C 2.151 178.683 176.600 -0.113 0.000 0.991 64 E CA 1.363 57.674 56.400 -0.148 0.000 0.799 64 E CB -0.112 29.495 29.700 -0.156 0.000 0.748 64 E HN 0.438 nan 8.360 nan 0.000 0.449 65 L N 0.320 121.444 121.223 -0.166 0.000 2.162 65 L HA -0.057 4.284 4.340 0.001 0.000 0.205 65 L C 2.548 179.450 176.870 0.054 0.000 1.086 65 L CA 0.219 55.004 54.840 -0.091 0.000 0.778 65 L CB -0.256 41.639 42.059 -0.273 0.000 0.928 65 L HN -0.056 nan 8.230 nan 0.000 0.446 66 V N 0.647 120.505 119.914 -0.093 0.000 2.295 66 V HA -0.214 3.906 4.120 0.001 0.000 0.246 66 V C 2.640 178.754 176.094 0.033 0.000 1.049 66 V CA 2.144 64.428 62.300 -0.026 0.000 1.024 66 V CB -1.215 30.522 31.823 -0.142 0.000 0.648 66 V HN 0.564 nan 8.190 nan 0.000 0.447 67 G N -0.545 108.255 108.800 -0.000 0.000 2.432 67 G HA2 -0.147 3.813 3.960 0.001 0.000 0.219 67 G HA3 -0.147 3.813 3.960 0.001 0.000 0.219 67 G C 1.489 176.417 174.900 0.047 0.000 1.135 67 G CA 0.825 45.940 45.100 0.025 0.000 0.767 67 G HN 0.639 nan 8.290 nan 0.000 0.550 68 A N -0.409 122.464 122.820 0.088 0.000 2.238 68 A HA 0.477 4.797 4.320 0.001 0.000 0.208 68 A C 1.921 179.522 177.584 0.028 0.000 1.177 68 A CA 1.240 53.344 52.037 0.113 0.000 0.804 68 A CB -0.430 18.718 19.000 0.246 0.000 0.823 68 A HN 1.566 nan 8.150 nan 0.000 0.482 69 G N -2.381 106.438 108.800 0.032 0.000 2.141 69 G HA2 -0.261 3.699 3.960 0.001 0.000 0.231 69 G HA3 -0.261 3.699 3.960 0.001 0.000 0.231 69 G C -0.066 174.753 174.900 -0.135 0.000 0.984 69 G CA 0.089 45.154 45.100 -0.058 0.000 0.660 69 G HN 0.403 nan 8.290 nan 0.000 0.525 70 Y N 0.438 120.725 120.300 -0.021 0.000 2.336 70 Y HA 0.450 5.000 4.550 0.001 0.000 0.331 70 Y C 1.087 176.968 175.900 -0.032 0.000 1.211 70 Y CA 0.015 58.100 58.100 -0.025 0.000 1.346 70 Y CB 0.794 39.233 38.460 -0.034 0.000 1.271 70 Y HN 0.079 nan 8.280 nan 0.000 0.538 71 K N 2.838 123.310 120.400 0.120 0.000 2.292 71 K HA 0.406 4.727 4.320 0.001 0.000 0.290 71 K C -1.568 175.135 176.600 0.171 0.000 1.083 71 K CA -0.141 56.196 56.287 0.084 0.000 0.918 71 K CB 0.034 32.553 32.500 0.031 0.000 1.089 71 K HN 0.488 nan 8.250 nan 0.000 0.473 72 V N 3.161 123.155 119.914 0.133 0.000 2.555 72 V HA 0.614 4.734 4.120 0.001 0.000 0.302 72 V C -0.383 175.592 176.094 -0.199 0.000 1.038 72 V CA -0.946 61.382 62.300 0.047 0.000 0.887 72 V CB 1.483 33.382 31.823 0.127 0.000 0.991 72 V HN 0.881 nan 8.190 nan 0.000 0.434 73 A N 5.722 128.260 122.820 -0.469 0.000 2.355 73 A HA 0.921 5.241 4.320 0.001 0.000 0.317 73 A C -0.697 176.547 177.584 -0.566 0.000 1.094 73 A CA -0.593 50.948 52.037 -0.827 0.000 0.764 73 A CB 1.591 19.734 19.000 -1.429 0.000 1.230 73 A HN 0.899 nan 8.150 nan 0.000 0.448 74 M N 2.552 121.736 119.600 -0.693 0.000 2.393 74 M HA 0.753 5.234 4.480 0.001 0.000 0.316 74 M C -2.159 173.801 176.300 -0.567 0.000 1.087 74 M CA -0.461 54.612 55.300 -0.379 0.000 0.937 74 M CB 1.194 33.758 32.600 -0.059 0.000 1.668 74 M HN 0.611 nan 8.290 nan 0.000 0.438 75 F N 2.179 122.109 119.950 -0.034 0.000 2.532 75 F HA 0.561 5.088 4.527 0.001 0.000 0.321 75 F C -0.198 175.591 175.800 -0.018 0.000 1.089 75 F CA -0.561 57.438 58.000 -0.001 0.000 0.926 75 F CB 1.571 40.549 39.000 -0.036 0.000 1.168 75 F HN 0.455 nan 8.300 nan 0.000 0.459 76 D N 2.582 123.060 120.400 0.130 0.000 2.879 76 D HA 0.235 4.875 4.640 0.001 0.000 0.236 76 D C 0.456 176.774 176.300 0.029 0.000 1.171 76 D CA -0.350 53.684 54.000 0.056 0.000 0.868 76 D CB 2.552 43.370 40.800 0.030 0.000 1.598 76 D HN 0.651 nan 8.370 nan 0.000 0.497 77 I N 1.935 122.479 120.570 -0.044 0.000 2.493 77 I HA 0.028 4.199 4.170 0.001 0.000 0.254 77 I C 1.142 177.215 176.117 -0.073 0.000 1.160 77 I CA 0.815 62.045 61.300 -0.116 0.000 1.445 77 I CB 0.150 37.969 38.000 -0.301 0.000 1.086 77 I HN 0.342 nan 8.210 nan 0.000 0.433 78 G N -0.088 108.689 108.800 -0.039 0.000 2.537 78 G HA2 0.400 4.360 3.960 0.001 0.000 0.297 78 G HA3 0.400 4.360 3.960 0.001 0.000 0.297 78 G C -0.840 174.074 174.900 0.024 0.000 1.310 78 G CA -0.428 44.675 45.100 0.004 0.000 1.027 78 G HN 0.295 nan 8.290 nan 0.000 0.505 79 E N -1.391 118.830 120.200 0.034 0.000 2.299 79 E HA 0.384 4.734 4.350 0.001 0.000 0.260 79 E C -0.518 176.104 176.600 0.036 0.000 0.944 79 E CA -0.757 55.664 56.400 0.035 0.000 0.815 79 E CB 2.518 32.241 29.700 0.040 0.000 1.252 79 E HN 0.257 nan 8.360 nan 0.000 0.418 80 I N 2.441 123.030 120.570 0.032 0.000 2.452 80 I HA 0.045 4.216 4.170 0.001 0.000 0.287 80 I C -0.266 175.877 176.117 0.043 0.000 1.079 80 I CA 0.512 61.833 61.300 0.034 0.000 1.387 80 I CB 0.197 38.211 38.000 0.024 0.000 1.404 80 I HN 0.548 nan 8.210 nan 0.000 0.522 81 D N 2.514 122.947 120.400 0.054 0.000 3.484 81 D HA 0.009 4.649 4.640 0.001 0.000 0.315 81 D C -0.261 176.092 176.300 0.088 0.000 1.516 81 D CA -0.320 53.720 54.000 0.066 0.000 0.755 81 D CB -0.272 40.566 40.800 0.062 0.000 1.306 81 D HN 0.197 nan 8.370 nan 0.000 0.615 82 S N 0.185 115.939 115.700 0.090 0.000 2.624 82 S HA 0.637 5.108 4.470 0.001 0.000 0.246 82 S C 0.961 175.632 174.600 0.117 0.000 1.072 82 S CA -0.026 58.245 58.200 0.119 0.000 1.045 82 S CB 0.646 63.917 63.200 0.118 0.000 0.851 82 S HN 0.870 nan 8.310 nan 0.000 0.480 83 G N 1.600 110.459 108.800 0.098 0.000 2.598 83 G HA2 -0.254 3.706 3.960 0.001 0.000 0.244 83 G HA3 -0.254 3.706 3.960 0.001 0.000 0.244 83 G C 0.400 175.337 174.900 0.060 0.000 1.302 83 G CA -0.108 45.041 45.100 0.082 0.000 0.903 83 G HN 0.363 nan 8.290 nan 0.000 0.575 84 L N 0.383 121.636 121.223 0.051 0.000 2.291 84 L HA 0.112 4.452 4.340 0.001 0.000 0.214 84 L C 1.451 178.336 176.870 0.024 0.000 1.120 84 L CA 0.991 55.849 54.840 0.031 0.000 0.799 84 L CB -0.301 41.771 42.059 0.022 0.000 0.925 84 L HN 0.318 nan 8.230 nan 0.000 0.446 85 K N 1.722 122.146 120.400 0.040 0.000 2.263 85 K HA 0.335 4.655 4.320 0.001 0.000 0.282 85 K C -0.334 176.290 176.600 0.040 0.000 1.089 85 K CA -0.232 56.075 56.287 0.034 0.000 0.907 85 K CB 0.967 33.501 32.500 0.057 0.000 1.148 85 K HN 0.085 nan 8.250 nan 0.000 0.470 86 I N 1.991 122.569 120.570 0.014 0.000 2.598 86 I HA -0.054 4.116 4.170 0.001 0.000 0.284 86 I C 1.339 177.475 176.117 0.032 0.000 1.140 86 I CA 0.694 62.005 61.300 0.020 0.000 1.420 86 I CB 0.357 38.358 38.000 0.002 0.000 1.387 86 I HN 0.965 nan 8.210 nan 0.000 0.553 87 G N 4.370 113.200 108.800 0.050 0.000 2.153 87 G HA2 -0.215 3.745 3.960 0.001 0.000 0.252 87 G HA3 -0.215 3.745 3.960 0.001 0.000 0.252 87 G C 0.322 175.272 174.900 0.084 0.000 0.994 87 G CA 0.129 45.263 45.100 0.057 0.000 0.698 87 G HN 0.963 nan 8.290 nan 0.000 0.521 88 A N -0.452 122.434 122.820 0.109 0.000 2.272 88 A HA 0.630 4.951 4.320 0.001 0.000 0.275 88 A C 0.574 178.284 177.584 0.210 0.000 1.096 88 A CA -0.357 51.782 52.037 0.170 0.000 0.822 88 A CB 0.312 19.414 19.000 0.170 0.000 1.088 88 A HN 0.590 nan 8.150 nan 0.000 0.495 89 H N 0.477 119.682 119.070 0.226 0.000 2.929 89 H HA 0.092 4.649 4.556 0.001 0.000 0.317 89 H C 0.722 176.181 175.328 0.220 0.000 1.031 89 H CA 0.775 56.971 56.048 0.247 0.000 1.466 89 H CB 0.814 30.738 29.762 0.269 0.000 1.482 89 H HN 0.683 nan 8.280 nan 0.000 0.561 90 K N 3.322 123.912 120.400 0.317 0.000 2.365 90 K HA -0.099 4.222 4.320 0.001 0.000 0.199 90 K C 1.723 178.580 176.600 0.428 0.000 1.045 90 K CA 0.894 57.432 56.287 0.419 0.000 0.962 90 K CB 0.286 33.055 32.500 0.449 0.000 0.759 90 K HN 0.525 nan 8.250 nan 0.000 0.469 91 K N 0.352 120.872 120.400 0.199 0.000 2.487 91 K HA 0.027 4.347 4.320 0.001 0.000 0.192 91 K C 0.224 176.864 176.600 0.068 0.000 1.027 91 K CA 0.491 56.583 56.287 -0.325 0.000 1.054 91 K CB 0.226 31.895 32.500 -1.384 0.000 0.824 91 K HN -0.104 nan 8.250 nan 0.000 0.510 92 N N 2.522 121.364 118.700 0.236 0.000 2.597 92 N HA 0.003 4.744 4.740 0.001 0.000 0.269 92 N C -0.733 175.041 175.510 0.439 0.000 1.204 92 N CA 0.300 53.523 53.050 0.288 0.000 0.947 92 N CB 0.834 39.529 38.487 0.347 0.000 1.258 92 N HN 0.419 nan 8.380 nan 0.000 0.508 93 T N -4.403 110.394 114.554 0.405 0.000 2.940 93 T HA 0.348 4.699 4.350 0.001 0.000 0.288 93 T C 1.489 176.404 174.700 0.358 0.000 1.033 93 T CA -0.752 61.557 62.100 0.348 0.000 1.033 93 T CB 1.618 70.644 68.868 0.263 0.000 1.079 93 T HN -0.183 nan 8.240 nan 0.000 0.496 94 V N 1.370 121.436 119.914 0.254 0.000 2.407 94 V HA -0.115 4.005 4.120 0.001 0.000 0.248 94 V C 2.865 179.034 176.094 0.124 0.000 1.055 94 V CA 1.742 64.167 62.300 0.208 0.000 1.049 94 V CB -0.781 31.098 31.823 0.093 0.000 0.662 94 V HN 0.886 nan 8.190 nan 0.000 0.455 95 E N -0.487 119.726 120.200 0.022 0.000 2.085 95 E HA -0.210 4.141 4.350 0.001 0.000 0.194 95 E C 2.100 178.641 176.600 -0.099 0.000 0.994 95 E CA 1.570 57.910 56.400 -0.100 0.000 0.801 95 E CB -0.256 29.273 29.700 -0.286 0.000 0.743 95 E HN 0.745 nan 8.360 nan 0.000 0.453 96 Y N 0.963 121.353 120.300 0.151 0.000 2.457 96 Y HA -0.028 4.523 4.550 0.001 0.000 0.292 96 Y C 2.378 178.328 175.900 0.084 0.000 1.125 96 Y CA 0.599 58.780 58.100 0.135 0.000 1.254 96 Y CB 0.013 38.567 38.460 0.155 0.000 1.012 96 Y HN 0.018 nan 8.280 nan 0.000 0.555 97 Q N 0.169 120.095 119.800 0.209 0.000 2.245 97 Q HA -0.085 4.255 4.340 0.001 0.000 0.201 97 Q C 1.641 177.723 176.000 0.137 0.000 0.955 97 Q CA 0.915 56.802 55.803 0.139 0.000 0.870 97 Q CB -0.032 28.794 28.738 0.147 0.000 0.945 97 Q HN 0.487 nan 8.270 nan 0.000 0.461 98 K N 0.496 120.973 120.400 0.128 0.000 2.305 98 K HA 0.051 4.372 4.320 0.001 0.000 0.199 98 K C 0.261 176.919 176.600 0.097 0.000 1.047 98 K CA 0.418 56.762 56.287 0.095 0.000 0.976 98 K CB 0.447 32.987 32.500 0.066 0.000 0.765 98 K HN 0.103 nan 8.250 nan 0.000 0.474 99 N N 0.956 119.734 118.700 0.131 0.000 2.711 99 N HA 0.039 4.780 4.740 0.001 0.000 0.263 99 N C 0.018 175.673 175.510 0.242 0.000 1.667 99 N CA -0.016 53.126 53.050 0.153 0.000 0.785 99 N CB 1.166 39.728 38.487 0.124 0.000 1.231 99 N HN -0.038 nan 8.380 nan 0.000 0.503 100 I N 1.163 121.860 120.570 0.211 0.000 2.361 100 I HA -0.166 4.005 4.170 0.001 0.000 0.251 100 I C 1.387 177.652 176.117 0.246 0.000 1.133 100 I CA 1.550 62.985 61.300 0.224 0.000 1.413 100 I CB 0.067 38.148 38.000 0.136 0.000 1.073 100 I HN 0.167 nan 8.210 nan 0.000 0.424 101 D N 0.519 121.054 120.400 0.225 0.000 2.218 101 D HA -0.154 4.487 4.640 0.001 0.000 0.204 101 D C 1.957 178.368 176.300 0.186 0.000 0.976 101 D CA 0.684 54.811 54.000 0.211 0.000 0.853 101 D CB -0.105 40.845 40.800 0.249 0.000 0.939 101 D HN 0.275 nan 8.370 nan 0.000 0.481 102 K N 0.077 120.624 120.400 0.246 0.000 2.362 102 K HA -0.083 4.238 4.320 0.001 0.000 0.200 102 K C 1.725 178.449 176.600 0.206 0.000 1.046 102 K CA 0.004 56.439 56.287 0.246 0.000 0.952 102 K CB -0.471 32.222 32.500 0.321 0.000 0.753 102 K HN 0.228 nan 8.250 nan 0.000 0.466 103 F N 1.367 121.329 119.950 0.019 0.000 2.365 103 F HA -0.162 4.365 4.527 0.001 0.000 0.300 103 F C 1.750 177.443 175.800 -0.178 0.000 1.090 103 F CA 0.507 58.348 58.000 -0.265 0.000 1.408 103 F CB -0.030 38.781 39.000 -0.315 0.000 1.060 103 F HN -0.284 nan 8.300 nan 0.000 0.534 104 V N 0.417 120.255 119.914 -0.126 0.000 2.380 104 V HA -0.380 3.741 4.120 0.001 0.000 0.251 104 V C 1.838 177.755 176.094 -0.295 0.000 1.063 104 V CA 2.419 64.591 62.300 -0.214 0.000 1.055 104 V CB -1.095 30.622 31.823 -0.177 0.000 0.657 104 V HN 0.387 nan 8.190 nan 0.000 0.455 105 N N -0.037 118.517 118.700 -0.243 0.000 2.188 105 N HA -0.116 4.624 4.740 0.001 0.000 0.184 105 N C 1.687 177.019 175.510 -0.298 0.000 1.018 105 N CA 1.240 54.165 53.050 -0.208 0.000 0.858 105 N CB -0.273 38.155 38.487 -0.098 0.000 0.989 105 N HN 0.331 nan 8.380 nan 0.000 0.426 106 V N 1.364 120.979 119.914 -0.498 0.000 2.295 106 V HA -0.219 3.901 4.120 0.001 0.000 0.246 106 V C 2.045 177.798 176.094 -0.568 0.000 1.049 106 V CA 1.440 63.384 62.300 -0.593 0.000 1.024 106 V CB -0.556 30.627 31.823 -1.067 0.000 0.648 106 V HN 0.304 nan 8.190 nan 0.000 0.447 107 I N -0.407 119.740 120.570 -0.706 0.000 2.127 107 I HA -0.275 3.896 4.170 0.001 0.000 0.241 107 I C 2.766 178.632 176.117 -0.419 0.000 1.075 107 I CA 1.462 62.401 61.300 -0.602 0.000 1.334 107 I CB -0.493 37.201 38.000 -0.511 0.000 1.040 107 I HN 0.300 nan 8.210 nan 0.000 0.405 108 Q N 0.503 120.114 119.800 -0.316 0.000 2.124 108 Q HA -0.130 4.210 4.340 0.001 0.000 0.202 108 Q C 2.298 178.199 176.000 -0.165 0.000 0.977 108 Q CA 1.728 57.401 55.803 -0.216 0.000 0.850 108 Q CB -0.711 27.915 28.738 -0.186 0.000 0.901 108 Q HN 0.627 nan 8.270 nan 0.000 0.429 109 G N 1.091 109.790 108.800 -0.168 0.000 2.534 109 G HA2 -0.196 3.764 3.960 0.001 0.000 0.217 109 G HA3 -0.196 3.764 3.960 0.001 0.000 0.217 109 G C 1.021 175.874 174.900 -0.078 0.000 1.128 109 G CA 0.602 45.638 45.100 -0.107 0.000 0.784 109 G HN 0.493 nan 8.290 nan 0.000 0.542 110 Q N -0.593 119.145 119.800 -0.104 0.000 2.135 110 Q HA 0.439 4.780 4.340 0.001 0.000 0.231 110 Q C -0.369 175.618 176.000 -0.021 0.000 0.817 110 Q CA -0.278 55.504 55.803 -0.036 0.000 1.073 110 Q CB 0.179 28.921 28.738 0.008 0.000 1.176 110 Q HN 0.242 nan 8.270 nan 0.000 0.478 111 L N 1.844 123.031 121.223 -0.060 0.000 2.319 111 L HA 0.548 4.889 4.340 0.001 0.000 0.281 111 L C -0.971 175.899 176.870 0.000 0.000 1.005 111 L CA -0.881 53.945 54.840 -0.023 0.000 0.828 111 L CB 1.594 43.607 42.059 -0.076 0.000 1.227 111 L HN 0.188 nan 8.230 nan 0.000 0.415 112 M N 2.161 121.787 119.600 0.044 0.000 2.205 112 M HA 0.310 4.790 4.480 0.001 0.000 0.344 112 M C 0.117 176.452 176.300 0.058 0.000 1.085 112 M CA -0.197 55.135 55.300 0.052 0.000 1.001 112 M CB 1.727 34.380 32.600 0.087 0.000 1.626 112 M HN 0.316 nan 8.290 nan 0.000 0.442 113 S N 1.803 117.524 115.700 0.036 0.000 2.549 113 S HA 0.135 4.606 4.470 0.001 0.000 0.286 113 S C 1.462 176.095 174.600 0.055 0.000 1.314 113 S CA -0.575 57.646 58.200 0.035 0.000 1.062 113 S CB 0.621 63.828 63.200 0.012 0.000 0.865 113 S HN 0.583 nan 8.310 nan 0.000 0.498 114 V N 2.599 122.558 119.914 0.075 0.000 2.323 114 V HA 0.008 4.129 4.120 0.001 0.000 0.244 114 V C 1.174 177.274 176.094 0.010 0.000 1.041 114 V CA 1.365 63.703 62.300 0.064 0.000 1.025 114 V CB 0.069 31.962 31.823 0.117 0.000 0.656 114 V HN 0.778 nan 8.190 nan 0.000 0.451 115 S N -0.521 115.201 115.700 0.037 0.000 2.776 115 S HA 0.545 5.015 4.470 0.001 0.000 0.284 115 S C -1.144 173.455 174.600 -0.001 0.000 1.160 115 S CA -0.455 57.731 58.200 -0.023 0.000 1.051 115 S CB 1.462 64.619 63.200 -0.072 0.000 1.037 115 S HN 0.007 nan 8.310 nan 0.000 0.485 116 V N 7.771 127.671 119.914 -0.023 0.000 2.384 116 V HA 0.573 4.693 4.120 0.001 0.000 0.287 116 V C -2.009 174.064 176.094 -0.035 0.000 1.020 116 V CA -1.806 60.479 62.300 -0.024 0.000 0.850 116 V CB 1.585 33.394 31.823 -0.023 0.000 0.987 116 V HN 0.702 nan 8.190 nan 0.000 0.436 117 P HA 0.191 nan 4.420 nan 0.000 0.274 117 P C -0.142 177.129 177.300 -0.047 0.000 1.246 117 P CA -0.198 62.878 63.100 -0.040 0.000 0.795 117 P CB 0.887 32.564 31.700 -0.039 0.000 1.006 118 V N 2.254 122.144 119.914 -0.041 0.000 2.617 118 V HA -0.078 4.042 4.120 0.001 0.000 0.304 118 V C 1.309 177.348 176.094 -0.093 0.000 1.040 118 V CA 0.366 62.638 62.300 -0.047 0.000 1.149 118 V CB -0.894 30.924 31.823 -0.008 0.000 0.914 118 V HN 0.617 nan 8.190 nan 0.000 0.487 119 N N 3.865 122.502 118.700 -0.105 0.000 2.470 119 N HA 0.071 4.812 4.740 0.001 0.000 0.268 119 N C 0.689 176.027 175.510 -0.286 0.000 1.136 119 N CA 0.381 53.343 53.050 -0.147 0.000 0.961 119 N CB 1.495 39.924 38.487 -0.096 0.000 1.067 119 N HN 0.865 nan 8.380 nan 0.000 0.468 120 T N 1.123 115.397 114.554 -0.466 0.000 3.215 120 T HA 0.266 4.616 4.350 0.001 0.000 0.271 120 T C 0.861 175.161 174.700 -0.666 0.000 1.012 120 T CA -0.440 61.021 62.100 -1.066 0.000 0.899 120 T CB -0.407 67.896 68.868 -0.941 0.000 1.089 120 T HN 0.286 nan 8.240 nan 0.000 0.552 121 L N 1.995 123.058 121.223 -0.268 0.000 2.453 121 L HA 0.340 4.680 4.340 0.001 0.000 0.272 121 L C 0.079 176.990 176.870 0.068 0.000 1.182 121 L CA -0.706 54.083 54.840 -0.084 0.000 0.858 121 L CB 0.832 42.866 42.059 -0.041 0.000 1.120 121 L HN 0.071 nan 8.230 nan 0.000 0.474 122 V N 4.745 124.719 119.914 0.100 0.000 2.406 122 V HA 0.154 4.274 4.120 0.001 0.000 0.272 122 V C 0.204 176.358 176.094 0.099 0.000 1.043 122 V CA -0.463 61.939 62.300 0.170 0.000 0.915 122 V CB 1.468 33.377 31.823 0.143 0.000 0.988 122 V HN 0.415 nan 8.190 nan 0.000 0.466 123 V N 5.461 125.435 119.914 0.100 0.000 2.294 123 V HA 0.304 4.425 4.120 0.001 0.000 0.272 123 V C 0.290 176.413 176.094 0.048 0.000 1.027 123 V CA -0.425 61.913 62.300 0.063 0.000 0.823 123 V CB 1.196 33.058 31.823 0.064 0.000 1.030 123 V HN 1.066 nan 8.190 nan 0.000 0.457 124 D N 1.946 122.367 120.400 0.036 0.000 2.462 124 D HA -0.000 4.640 4.640 0.001 0.000 0.221 124 D C 1.197 177.506 176.300 0.015 0.000 1.173 124 D CA 0.278 54.291 54.000 0.021 0.000 0.831 124 D CB 0.389 41.200 40.800 0.019 0.000 1.001 124 D HN 0.544 nan 8.370 nan 0.000 0.499 125 T N -2.042 112.524 114.554 0.020 0.000 3.174 125 T HA 0.309 4.659 4.350 0.001 0.000 0.269 125 T C 0.773 175.485 174.700 0.020 0.000 1.017 125 T CA -0.553 61.557 62.100 0.017 0.000 0.899 125 T CB -0.230 68.648 68.868 0.017 0.000 1.077 125 T HN 0.021 nan 8.240 nan 0.000 0.552 126 L N 2.097 123.333 121.223 0.023 0.000 2.483 126 L HA 0.259 4.599 4.340 0.001 0.000 0.275 126 L C 1.145 178.026 176.870 0.020 0.000 1.220 126 L CA -0.461 54.395 54.840 0.028 0.000 0.833 126 L CB 0.260 42.340 42.059 0.036 0.000 1.102 126 L HN 0.228 nan 8.230 nan 0.000 0.490 127 S N 1.946 117.660 115.700 0.024 0.000 2.560 127 S HA 0.094 4.565 4.470 0.001 0.000 0.284 127 S C -1.436 173.172 174.600 0.014 0.000 1.327 127 S CA -1.036 57.175 58.200 0.019 0.000 1.055 127 S CB 0.796 64.011 63.200 0.024 0.000 0.868 127 S HN 0.396 nan 8.310 nan 0.000 0.506 128 P HA -0.058 nan 4.420 nan 0.000 0.223 128 P C 1.302 178.603 177.300 0.002 0.000 1.144 128 P CA 1.162 64.259 63.100 -0.005 0.000 0.783 128 P CB -0.167 31.529 31.700 -0.007 0.000 0.771 129 T N -5.615 108.948 114.554 0.016 0.000 3.067 129 T HA 0.087 4.438 4.350 0.001 0.000 0.261 129 T C 1.030 175.762 174.700 0.053 0.000 1.110 129 T CA 0.121 62.238 62.100 0.028 0.000 1.113 129 T CB -0.563 68.323 68.868 0.030 0.000 0.917 129 T HN -0.098 nan 8.240 nan 0.000 0.499 130 S N 1.190 116.926 115.700 0.060 0.000 2.580 130 S HA 0.296 4.766 4.470 0.001 0.000 0.274 130 S C -0.611 174.073 174.600 0.140 0.000 1.329 130 S CA -0.993 57.273 58.200 0.109 0.000 1.036 130 S CB 0.206 63.465 63.200 0.098 0.000 0.919 130 S HN 0.600 nan 8.310 nan 0.000 0.515 131 W N 2.988 124.297 121.300 0.016 0.000 2.308 131 W HA 0.192 4.853 4.660 0.001 0.000 0.324 131 W C 0.280 176.817 176.519 0.030 0.000 1.387 131 W CA 0.269 57.624 57.345 0.017 0.000 1.250 131 W CB 0.180 29.651 29.460 0.018 0.000 1.257 131 W HN 0.536 nan 8.180 nan 0.000 0.554 132 Q N 4.722 124.249 119.800 -0.456 0.000 2.375 132 Q HA 0.619 4.960 4.340 0.001 0.000 0.271 132 Q C -0.629 174.958 176.000 -0.688 0.000 1.074 132 Q CA -0.907 54.696 55.803 -0.333 0.000 0.808 132 Q CB 1.833 30.441 28.738 -0.216 0.000 1.327 132 Q HN 0.592 nan 8.270 nan 0.000 0.441 133 A N 1.951 124.592 122.820 -0.299 0.000 2.425 133 A HA 0.258 4.578 4.320 0.001 0.000 0.249 133 A C 0.425 177.856 177.584 -0.255 0.000 1.084 133 A CA -0.066 51.858 52.037 -0.189 0.000 0.781 133 A CB 0.671 19.759 19.000 0.146 0.000 1.019 133 A HN 0.869 nan 8.150 nan 0.000 0.490 134 S N -0.233 115.332 115.700 -0.225 0.000 2.524 134 S HA 0.112 4.582 4.470 0.001 0.000 0.216 134 S C 0.854 175.347 174.600 -0.179 0.000 0.987 134 S CA 0.852 58.937 58.200 -0.191 0.000 0.909 134 S CB -0.107 62.998 63.200 -0.158 0.000 0.781 134 S HN 1.101 nan 8.310 nan 0.000 0.521 135 T N -1.390 113.095 114.554 -0.114 0.000 2.865 135 T HA 0.636 4.986 4.350 0.001 0.000 0.294 135 T C -0.977 173.656 174.700 -0.112 0.000 1.119 135 T CA -0.752 61.272 62.100 -0.126 0.000 1.007 135 T CB 0.713 69.611 68.868 0.049 0.000 1.225 135 T HN -0.093 nan 8.240 nan 0.000 0.515 136 F N 2.982 123.004 119.950 0.120 0.000 2.605 136 F HA 0.398 4.925 4.527 0.001 0.000 0.352 136 F C 0.415 176.260 175.800 0.076 0.000 1.236 136 F CA -1.882 56.147 58.000 0.049 0.000 1.267 136 F CB -0.917 38.088 39.000 0.008 0.000 1.632 136 F HN 0.566 nan 8.300 nan 0.000 0.639 137 F N -0.595 119.457 119.950 0.171 0.000 2.399 137 F HA 0.579 5.106 4.527 0.001 0.000 0.313 137 F C -0.058 175.813 175.800 0.119 0.000 1.202 137 F CA -1.563 56.514 58.000 0.129 0.000 1.192 137 F CB -0.087 38.980 39.000 0.112 0.000 1.256 137 F HN -0.157 nan 8.300 nan 0.000 0.558 138 V N 2.931 122.998 119.914 0.255 0.000 2.421 138 V HA 0.272 4.393 4.120 0.001 0.000 0.271 138 V C 0.085 176.231 176.094 0.087 0.000 1.031 138 V CA -0.015 62.353 62.300 0.114 0.000 1.032 138 V CB -0.648 31.253 31.823 0.130 0.000 1.009 138 V HN 0.719 nan 8.190 nan 0.000 0.477 139 R N 4.005 124.454 120.500 -0.086 0.000 2.744 139 R HA 0.469 4.810 4.340 0.001 0.000 0.279 139 R C 0.075 176.341 176.300 -0.057 0.000 0.977 139 R CA -0.920 55.102 56.100 -0.131 0.000 0.906 139 R CB 1.388 31.468 30.300 -0.368 0.000 1.197 139 R HN 0.683 nan 8.270 nan 0.000 0.463 140 N N 0.801 119.488 118.700 -0.021 0.000 2.747 140 N HA -0.190 4.550 4.740 0.001 0.000 0.249 140 N C 0.514 176.014 175.510 -0.016 0.000 1.107 140 N CA 1.539 54.577 53.050 -0.021 0.000 0.707 140 N CB -1.134 37.332 38.487 -0.035 0.000 1.054 140 N HN 1.105 nan 8.380 nan 0.000 0.555 141 G N -1.686 107.110 108.800 -0.006 0.000 2.159 141 G HA2 -0.328 3.632 3.960 0.001 0.000 0.256 141 G HA3 -0.328 3.632 3.960 0.001 0.000 0.256 141 G C 0.277 175.172 174.900 -0.007 0.000 0.977 141 G CA 1.017 46.115 45.100 -0.003 0.000 0.652 141 G HN 1.385 nan 8.290 nan 0.000 0.531 142 S N -0.501 115.190 115.700 -0.015 0.000 2.584 142 S HA 0.463 4.934 4.470 0.001 0.000 0.270 142 S C 0.131 174.722 174.600 -0.015 0.000 1.346 142 S CA 0.209 58.396 58.200 -0.022 0.000 1.018 142 S CB 1.711 64.891 63.200 -0.034 0.000 0.899 142 S HN 0.702 nan 8.310 nan 0.000 0.542 143 N N 2.000 120.683 118.700 -0.028 0.000 2.558 143 N HA 0.376 5.116 4.740 0.001 0.000 0.242 143 N C -1.769 173.723 175.510 -0.030 0.000 0.979 143 N CA -2.525 50.500 53.050 -0.042 0.000 0.931 143 N CB 1.390 39.823 38.487 -0.089 0.000 1.122 143 N HN 0.380 nan 8.380 nan 0.000 0.508 144 P HA -0.038 nan 4.420 nan 0.000 0.233 144 P C 0.370 177.688 177.300 0.030 0.000 1.167 144 P CA 0.763 63.878 63.100 0.025 0.000 0.770 144 P CB 0.630 32.361 31.700 0.052 0.000 0.837 145 E N -0.016 120.186 120.200 0.003 0.000 2.274 145 E HA -0.106 4.244 4.350 0.001 0.000 0.194 145 E C 0.973 177.568 176.600 -0.008 0.000 0.996 145 E CA 0.623 57.039 56.400 0.027 0.000 0.840 145 E CB -0.152 29.501 29.700 -0.077 0.000 0.772 145 E HN 0.308 nan 8.360 nan 0.000 0.491 146 Q N 2.290 122.049 119.800 -0.068 0.000 2.307 146 Q HA 0.013 4.353 4.340 0.001 0.000 0.259 146 Q C -0.769 175.229 176.000 -0.004 0.000 0.998 146 Q CA -0.156 55.604 55.803 -0.072 0.000 0.923 146 Q CB 0.715 29.399 28.738 -0.090 0.000 1.196 146 Q HN -0.197 nan 8.270 nan 0.000 0.416 147 D N 6.229 126.647 120.400 0.030 0.000 2.382 147 D HA 0.020 4.661 4.640 0.001 0.000 0.259 147 D C -1.641 174.669 176.300 0.017 0.000 1.224 147 D CA -1.722 52.300 54.000 0.036 0.000 0.894 147 D CB 1.232 42.068 40.800 0.060 0.000 1.127 147 D HN 0.458 nan 8.370 nan 0.000 0.487 148 P HA -0.097 nan 4.420 nan 0.000 0.225 148 P C 1.317 178.615 177.300 -0.004 0.000 1.148 148 P CA 0.676 63.769 63.100 -0.011 0.000 0.779 148 P CB 0.344 32.027 31.700 -0.029 0.000 0.780 149 L N -1.213 120.012 121.223 0.004 0.000 2.592 149 L HA 0.161 4.502 4.340 0.001 0.000 0.227 149 L C 1.602 178.482 176.870 0.016 0.000 1.127 149 L CA 0.274 55.118 54.840 0.006 0.000 0.884 149 L CB -0.174 41.886 42.059 0.002 0.000 1.065 149 L HN -0.167 nan 8.230 nan 0.000 0.457 150 R N -0.205 120.313 120.500 0.029 0.000 2.776 150 R HA 0.214 4.554 4.340 0.001 0.000 0.391 150 R C -0.392 175.954 176.300 0.077 0.000 1.116 150 R CA -0.260 55.869 56.100 0.049 0.000 1.056 150 R CB 0.288 30.622 30.300 0.055 0.000 1.369 150 R HN 0.054 nan 8.270 nan 0.000 0.590 151 N N 0.548 119.269 118.700 0.036 0.000 2.483 151 N HA 0.367 5.107 4.740 0.001 0.000 0.285 151 N C -0.679 174.738 175.510 -0.155 0.000 1.210 151 N CA -0.642 52.411 53.050 0.005 0.000 0.931 151 N CB 1.233 39.722 38.487 0.003 0.000 1.220 151 N HN 0.076 nan 8.380 nan 0.000 0.542 152 L N 1.992 122.970 121.223 -0.407 0.000 2.494 152 L HA 0.205 4.545 4.340 0.001 0.000 0.251 152 L C 1.481 178.164 176.870 -0.311 0.000 1.119 152 L CA -0.273 54.200 54.840 -0.612 0.000 1.026 152 L CB 0.330 41.631 42.059 -1.264 0.000 1.370 152 L HN 0.635 nan 8.230 nan 0.000 0.426 153 S N -0.326 115.282 115.700 -0.153 0.000 2.419 153 S HA -0.143 4.328 4.470 0.001 0.000 0.235 153 S C 1.798 176.357 174.600 -0.068 0.000 1.019 153 S CA 1.162 59.319 58.200 -0.072 0.000 0.982 153 S CB -0.224 62.947 63.200 -0.048 0.000 0.789 153 S HN 0.633 nan 8.310 nan 0.000 0.490 154 G N 0.349 109.092 108.800 -0.096 0.000 2.623 154 G HA2 0.090 4.050 3.960 0.001 0.000 0.214 154 G HA3 0.090 4.050 3.960 0.001 0.000 0.214 154 G C 0.588 175.448 174.900 -0.067 0.000 1.138 154 G CA -0.294 44.761 45.100 -0.074 0.000 0.794 154 G HN 0.382 nan 8.290 nan 0.000 0.535 155 Q N 0.700 120.439 119.800 -0.100 0.000 2.286 155 Q HA 0.462 4.803 4.340 0.001 0.000 0.290 155 Q C -0.101 175.921 176.000 0.037 0.000 1.049 155 Q CA 0.320 56.097 55.803 -0.044 0.000 0.923 155 Q CB 1.282 29.975 28.738 -0.076 0.000 1.183 155 Q HN 0.298 nan 8.270 nan 0.000 0.383 156 A N 2.155 125.006 122.820 0.052 0.000 2.594 156 A HA 0.749 5.069 4.320 0.001 0.000 0.291 156 A C -0.927 176.714 177.584 0.096 0.000 1.105 156 A CA -0.561 51.515 52.037 0.066 0.000 0.694 156 A CB 1.417 20.439 19.000 0.036 0.000 1.291 156 A HN 0.486 nan 8.150 nan 0.000 0.410 157 V N -2.048 117.935 119.914 0.116 0.000 2.960 157 V HA 0.951 5.071 4.120 0.001 0.000 0.315 157 V C -0.468 175.717 176.094 0.151 0.000 1.087 157 V CA -0.493 61.900 62.300 0.155 0.000 0.982 157 V CB 1.656 33.621 31.823 0.235 0.000 1.039 157 V HN 0.877 nan 8.190 nan 0.000 0.437 158 T N 2.837 117.483 114.554 0.155 0.000 2.812 158 T HA 0.578 4.928 4.350 0.001 0.000 0.282 158 T C -0.363 174.394 174.700 0.095 0.000 0.990 158 T CA -0.463 61.717 62.100 0.134 0.000 0.960 158 T CB 1.098 70.071 68.868 0.175 0.000 0.948 158 T HN 0.778 nan 8.240 nan 0.000 0.438 159 R N 2.539 123.081 120.500 0.070 0.000 2.396 159 R HA 0.592 4.932 4.340 0.001 0.000 0.292 159 R C -0.686 175.635 176.300 0.035 0.000 1.240 159 R CA -0.614 55.500 56.100 0.024 0.000 1.270 159 R CB 0.798 31.086 30.300 -0.020 0.000 1.108 159 R HN 0.513 nan 8.270 nan 0.000 0.573 160 V N -1.731 118.204 119.914 0.036 0.000 3.012 160 V HA 0.438 4.558 4.120 0.001 0.000 0.307 160 V C 0.040 176.152 176.094 0.030 0.000 1.166 160 V CA -1.157 61.166 62.300 0.039 0.000 0.974 160 V CB 1.976 33.831 31.823 0.054 0.000 1.040 160 V HN 0.141 nan 8.190 nan 0.000 0.428 161 V N 3.856 123.790 119.914 0.032 0.000 2.557 161 V HA 0.459 4.579 4.120 0.001 0.000 0.301 161 V C 1.771 177.883 176.094 0.031 0.000 1.026 161 V CA 2.063 64.382 62.300 0.032 0.000 1.137 161 V CB 0.016 31.860 31.823 0.034 0.000 0.917 161 V HN 2.089 nan 8.190 nan 0.000 0.484 162 G N 3.185 111.999 108.800 0.023 0.000 2.213 162 G HA2 -0.005 3.955 3.960 0.001 0.000 0.236 162 G HA3 -0.005 3.955 3.960 0.001 0.000 0.236 162 G C 1.038 175.918 174.900 -0.033 0.000 0.991 162 G CA 0.314 45.418 45.100 0.006 0.000 0.629 162 G HN 2.167 nan 8.290 nan 0.000 0.517 163 G N 0.148 108.938 108.800 -0.017 0.000 2.582 163 G HA2 -0.261 3.699 3.960 0.001 0.000 0.288 163 G HA3 -0.261 3.699 3.960 0.001 0.000 0.288 163 G C 1.134 175.983 174.900 -0.086 0.000 1.247 163 G CA 1.233 46.317 45.100 -0.026 0.000 0.972 163 G HN 1.117 nan 8.290 nan 0.000 0.557 164 M N 1.565 121.078 119.600 -0.144 0.000 2.557 164 M HA 0.030 4.510 4.480 0.001 0.000 0.259 164 M C 2.665 178.632 176.300 -0.555 0.000 1.086 164 M CA 1.591 56.674 55.300 -0.362 0.000 1.096 164 M CB -0.126 32.355 32.600 -0.198 0.000 1.424 164 M HN 0.710 nan 8.290 nan 0.000 0.488 165 S N -0.434 114.995 115.700 -0.453 0.000 2.555 165 S HA -0.071 4.400 4.470 0.001 0.000 0.230 165 S C 1.723 176.212 174.600 -0.184 0.000 0.978 165 S CA 1.177 59.007 58.200 -0.618 0.000 0.934 165 S CB -0.914 61.947 63.200 -0.565 0.000 0.766 165 S HN 0.575 nan 8.310 nan 0.000 0.533 166 T N -0.667 113.768 114.554 -0.198 0.000 3.085 166 T HA 0.000 4.351 4.350 0.001 0.000 0.263 166 T C 1.426 175.937 174.700 -0.314 0.000 1.127 166 T CA 0.940 62.943 62.100 -0.161 0.000 1.103 166 T CB -0.668 68.194 68.868 -0.011 0.000 0.921 166 T HN 0.902 nan 8.240 nan 0.000 0.510 167 H N -1.929 117.065 119.070 -0.126 0.000 3.680 167 H HA 0.200 4.756 4.556 0.001 0.000 0.260 167 H C 0.479 176.028 175.328 0.368 0.000 1.183 167 H CA -0.999 55.115 56.048 0.111 0.000 1.159 167 H CB -0.464 29.380 29.762 0.137 0.000 1.567 167 H HN 0.492 nan 8.280 nan 0.000 0.648 168 W N 2.685 123.948 121.300 -0.061 0.000 2.079 168 W HA 0.293 4.953 4.660 0.001 0.000 0.354 168 W C 0.056 176.674 176.519 0.164 0.000 1.302 168 W CA -0.212 57.194 57.345 0.101 0.000 1.281 168 W CB -0.193 29.263 29.460 -0.006 0.000 1.165 168 W HN -0.188 nan 8.180 nan 0.000 0.603 169 T N 1.144 115.693 114.554 -0.009 0.000 3.085 169 T HA -0.019 4.331 4.350 0.001 0.000 0.263 169 T C 1.073 175.367 174.700 -0.678 0.000 1.127 169 T CA 1.194 63.106 62.100 -0.314 0.000 1.103 169 T CB -0.533 68.320 68.868 -0.024 0.000 0.921 169 T HN 0.677 nan 8.240 nan 0.000 0.510 170 C N 0.744 119.263 119.300 -1.302 0.000 4.617 170 C HA -0.118 4.342 4.460 0.001 0.000 0.260 170 C C 1.128 175.638 174.990 -0.800 0.000 1.288 170 C CA -0.682 57.289 59.018 -1.745 0.000 1.668 170 C CB -2.596 24.599 27.740 -0.908 0.000 1.518 170 C HN 0.768 nan 8.230 nan 0.000 0.708 171 A N 1.152 123.718 122.820 -0.423 0.000 2.404 171 A HA 0.559 4.879 4.320 0.001 0.000 0.273 171 A C 0.760 178.270 177.584 -0.123 0.000 1.144 171 A CA 1.090 53.025 52.037 -0.170 0.000 0.806 171 A CB 0.179 19.145 19.000 -0.057 0.000 1.080 171 A HN 1.343 nan 8.150 nan 0.000 0.509 172 T N 1.610 116.105 114.554 -0.098 0.000 3.466 172 T HA 0.519 4.870 4.350 0.001 0.000 0.297 172 T C -2.715 171.942 174.700 -0.071 0.000 1.640 172 T CA -1.587 60.488 62.100 -0.042 0.000 1.631 172 T CB 0.510 69.384 68.868 0.011 0.000 0.928 172 T HN 0.441 nan 8.240 nan 0.000 0.688 173 P HA 0.371 nan 4.420 nan 0.000 0.278 173 P C -0.143 177.016 177.300 -0.235 0.000 1.238 173 P CA -0.632 62.373 63.100 -0.158 0.000 0.794 173 P CB 1.104 32.683 31.700 -0.201 0.000 0.955 174 R N 1.198 121.476 120.500 -0.369 0.000 2.641 174 R HA 0.332 4.673 4.340 0.001 0.000 0.269 174 R C 0.108 176.273 176.300 -0.225 0.000 1.074 174 R CA -0.316 55.358 56.100 -0.709 0.000 1.133 174 R CB 0.099 29.847 30.300 -0.919 0.000 1.029 174 R HN 0.378 nan 8.270 nan 0.000 0.488 175 F N 2.011 121.736 119.950 -0.374 0.000 2.412 175 F HA 0.043 4.571 4.527 0.001 0.000 0.348 175 F C 1.027 176.645 175.800 -0.304 0.000 1.102 175 F CA -1.534 56.272 58.000 -0.324 0.000 1.196 175 F CB 0.179 38.980 39.000 -0.332 0.000 1.144 175 F HN 0.536 nan 8.300 nan 0.000 0.541 176 D N 2.408 122.742 120.400 -0.110 0.000 2.377 176 D HA 0.117 4.757 4.640 0.001 0.000 0.245 176 D C 1.016 177.230 176.300 -0.143 0.000 1.196 176 D CA -0.433 53.496 54.000 -0.118 0.000 0.962 176 D CB 0.605 41.349 40.800 -0.093 0.000 1.127 176 D HN 0.481 nan 8.370 nan 0.000 0.471 177 R N -0.243 120.196 120.500 -0.101 0.000 2.103 177 R HA -0.181 4.159 4.340 0.001 0.000 0.242 177 R C 2.030 178.271 176.300 -0.099 0.000 1.142 177 R CA 1.594 57.639 56.100 -0.091 0.000 0.960 177 R CB -0.278 30.003 30.300 -0.033 0.000 0.858 177 R HN 0.666 nan 8.270 nan 0.000 0.439 178 E N 0.687 120.826 120.200 -0.102 0.000 2.209 178 E HA -0.221 4.130 4.350 0.001 0.000 0.196 178 E C 1.474 177.964 176.600 -0.184 0.000 0.993 178 E CA 1.165 57.509 56.400 -0.093 0.000 0.819 178 E CB 0.204 29.892 29.700 -0.019 0.000 0.745 178 E HN 0.421 nan 8.360 nan 0.000 0.477 179 Q N -0.630 118.972 119.800 -0.330 0.000 2.319 179 Q HA 0.122 4.463 4.340 0.001 0.000 0.209 179 Q C 0.315 176.197 176.000 -0.195 0.000 0.884 179 Q CA -0.141 55.396 55.803 -0.445 0.000 0.938 179 Q CB 0.725 28.915 28.738 -0.915 0.000 1.098 179 Q HN -0.062 nan 8.270 nan 0.000 0.517 180 R N 2.028 122.461 120.500 -0.112 0.000 2.460 180 R HA 0.302 4.642 4.340 0.001 0.000 0.303 180 R C -2.561 173.701 176.300 -0.065 0.000 0.968 180 R CA -2.104 53.928 56.100 -0.112 0.000 0.889 180 R CB 0.988 31.049 30.300 -0.398 0.000 1.123 180 R HN -0.131 nan 8.270 nan 0.000 0.455 181 P HA 0.024 nan 4.420 nan 0.000 0.271 181 P C -0.513 176.945 177.300 0.263 0.000 1.218 181 P CA -0.068 63.113 63.100 0.134 0.000 0.780 181 P CB 0.617 32.419 31.700 0.170 0.000 0.901 182 L N 2.871 124.210 121.223 0.194 0.000 2.416 182 L HA 0.122 4.462 4.340 0.001 0.000 0.272 182 L C 1.639 178.654 176.870 0.242 0.000 1.161 182 L CA -0.076 54.943 54.840 0.299 0.000 0.845 182 L CB 0.216 42.488 42.059 0.354 0.000 1.119 182 L HN 0.380 nan 8.230 nan 0.000 0.464 183 L N 3.670 125.083 121.223 0.316 0.000 2.575 183 L HA 0.211 4.551 4.340 0.001 0.000 0.228 183 L C -0.193 176.850 176.870 0.287 0.000 1.075 183 L CA 0.190 55.113 54.840 0.138 0.000 0.867 183 L CB 0.742 42.681 42.059 -0.199 0.000 1.097 183 L HN 0.321 nan 8.230 nan 0.000 0.485 184 V N 1.361 121.452 119.914 0.296 0.000 2.531 184 V HA 0.234 4.354 4.120 0.001 0.000 0.301 184 V C -0.327 175.865 176.094 0.163 0.000 1.034 184 V CA -0.986 61.424 62.300 0.183 0.000 0.865 184 V CB 1.887 33.767 31.823 0.096 0.000 0.995 184 V HN 0.163 nan 8.190 nan 0.000 0.424 185 K N 2.308 122.671 120.400 -0.060 0.000 2.144 185 K HA 0.409 4.730 4.320 0.001 0.000 0.270 185 K C -0.443 176.123 176.600 -0.057 0.000 1.005 185 K CA -0.436 55.774 56.287 -0.128 0.000 0.932 185 K CB 0.901 33.088 32.500 -0.521 0.000 1.021 185 K HN 0.633 nan 8.250 nan 0.000 0.462 186 D N 0.965 121.360 120.400 -0.008 0.000 2.751 186 D HA -0.166 4.475 4.640 0.001 0.000 0.233 186 D C -0.862 175.445 176.300 0.011 0.000 1.149 186 D CA 1.422 55.422 54.000 0.000 0.000 0.682 186 D CB -0.750 40.036 40.800 -0.023 0.000 1.068 186 D HN 0.780 nan 8.370 nan 0.000 0.429 187 D N -1.370 119.049 120.400 0.033 0.000 2.474 187 D HA 0.373 5.013 4.640 0.001 0.000 0.234 187 D C 0.874 177.210 176.300 0.059 0.000 1.323 187 D CA 0.169 54.191 54.000 0.037 0.000 0.915 187 D CB 0.425 41.241 40.800 0.026 0.000 1.487 187 D HN -0.002 nan 8.370 nan 0.000 0.524 188 A N 2.398 125.254 122.820 0.060 0.000 1.933 188 A HA -0.162 4.159 4.320 0.001 0.000 0.218 188 A C 1.632 179.264 177.584 0.079 0.000 1.175 188 A CA 1.426 53.508 52.037 0.075 0.000 0.628 188 A CB -0.008 19.029 19.000 0.061 0.000 0.814 188 A HN 0.452 nan 8.150 nan 0.000 0.444 189 D N 0.112 120.548 120.400 0.061 0.000 2.117 189 D HA -0.032 4.608 4.640 0.001 0.000 0.198 189 D C 2.243 178.582 176.300 0.064 0.000 0.982 189 D CA 1.522 55.556 54.000 0.058 0.000 0.828 189 D CB -0.451 40.374 40.800 0.042 0.000 0.967 189 D HN 0.427 nan 8.370 nan 0.000 0.464 190 A N 0.811 123.666 122.820 0.058 0.000 1.898 190 A HA -0.196 4.124 4.320 0.001 0.000 0.216 190 A C 1.973 179.601 177.584 0.072 0.000 1.181 190 A CA 1.946 54.013 52.037 0.050 0.000 0.620 190 A CB -0.636 18.386 19.000 0.037 0.000 0.819 190 A HN 0.161 nan 8.150 nan 0.000 0.442 191 D N -0.106 120.361 120.400 0.111 0.000 2.092 191 D HA -0.170 4.471 4.640 0.001 0.000 0.193 191 D C 1.306 177.768 176.300 0.270 0.000 0.994 191 D CA 1.653 55.767 54.000 0.191 0.000 0.828 191 D CB -0.125 40.816 40.800 0.235 0.000 0.963 191 D HN 0.359 nan 8.370 nan 0.000 0.450 192 D N -0.071 120.456 120.400 0.211 0.000 2.104 192 D HA -0.164 4.476 4.640 0.001 0.000 0.194 192 D C 2.028 178.440 176.300 0.187 0.000 0.994 192 D CA 1.510 55.637 54.000 0.211 0.000 0.830 192 D CB -0.667 40.212 40.800 0.131 0.000 0.959 192 D HN 0.332 nan 8.370 nan 0.000 0.452 193 A N 0.792 123.682 122.820 0.116 0.000 1.908 193 A HA -0.244 4.077 4.320 0.001 0.000 0.218 193 A C 2.169 179.782 177.584 0.048 0.000 1.181 193 A CA 2.148 54.229 52.037 0.073 0.000 0.627 193 A CB -0.625 18.401 19.000 0.043 0.000 0.818 193 A HN 0.234 nan 8.150 nan 0.000 0.445 194 E N -1.004 119.205 120.200 0.014 0.000 2.051 194 E HA -0.207 4.143 4.350 0.001 0.000 0.192 194 E C 1.706 178.214 176.600 -0.153 0.000 0.991 194 E CA 1.601 57.936 56.400 -0.109 0.000 0.799 194 E CB -0.469 29.119 29.700 -0.187 0.000 0.748 194 E HN 0.723 nan 8.360 nan 0.000 0.449 195 W N 0.738 122.008 121.300 -0.051 0.000 2.358 195 W HA -0.114 4.547 4.660 0.001 0.000 0.303 195 W C 2.170 178.696 176.519 0.011 0.000 1.208 195 W CA 1.283 58.571 57.345 -0.095 0.000 1.274 195 W CB -0.383 29.065 29.460 -0.021 0.000 1.138 195 W HN 0.265 nan 8.180 nan 0.000 0.515 196 D N -0.065 120.510 120.400 0.292 0.000 2.117 196 D HA -0.200 4.441 4.640 0.001 0.000 0.198 196 D C 2.142 178.517 176.300 0.126 0.000 0.982 196 D CA 1.401 55.538 54.000 0.227 0.000 0.828 196 D CB -0.200 40.688 40.800 0.146 0.000 0.967 196 D HN -0.025 nan 8.370 nan 0.000 0.464 197 R N -0.305 120.222 120.500 0.044 0.000 2.073 197 R HA -0.078 4.263 4.340 0.001 0.000 0.234 197 R C 2.420 178.681 176.300 -0.066 0.000 1.134 197 R CA 1.165 57.252 56.100 -0.021 0.000 0.952 197 R CB -0.292 29.974 30.300 -0.056 0.000 0.850 197 R HN 0.261 nan 8.270 nan 0.000 0.433 198 L N -0.637 120.513 121.223 -0.121 0.000 2.056 198 L HA -0.166 4.174 4.340 0.001 0.000 0.207 198 L C 2.290 179.091 176.870 -0.114 0.000 1.078 198 L CA 1.099 55.811 54.840 -0.213 0.000 0.749 198 L CB -0.532 41.286 42.059 -0.401 0.000 0.901 198 L HN 0.210 nan 8.230 nan 0.000 0.433 199 Y N 0.299 120.599 120.300 -0.000 0.000 2.242 199 Y HA -0.206 4.345 4.550 0.001 0.000 0.291 199 Y C 2.866 178.745 175.900 -0.035 0.000 1.137 199 Y CA 1.439 59.546 58.100 0.013 0.000 1.181 199 Y CB -1.026 37.473 38.460 0.065 0.000 0.989 199 Y HN 0.120 nan 8.280 nan 0.000 0.527 200 T N -0.253 114.374 114.554 0.123 0.000 2.708 200 T HA -0.230 4.121 4.350 0.001 0.000 0.266 200 T C 1.979 176.650 174.700 -0.049 0.000 1.037 200 T CA 1.767 63.889 62.100 0.037 0.000 1.146 200 T CB -0.196 68.686 68.868 0.023 0.000 0.865 200 T HN 0.219 nan 8.240 nan 0.000 0.435 201 K N 0.906 121.220 120.400 -0.143 0.000 2.026 201 K HA -0.031 4.290 4.320 0.001 0.000 0.208 201 K C 2.518 178.811 176.600 -0.512 0.000 1.048 201 K CA 1.214 57.291 56.287 -0.350 0.000 0.929 201 K CB -0.334 31.905 32.500 -0.435 0.000 0.713 201 K HN 0.270 nan 8.250 nan 0.000 0.439 202 A N 1.176 123.797 122.820 -0.333 0.000 1.940 202 A HA -0.213 4.107 4.320 0.001 0.000 0.219 202 A C 1.827 179.424 177.584 0.021 0.000 1.176 202 A CA 1.836 53.746 52.037 -0.212 0.000 0.631 202 A CB -0.498 18.489 19.000 -0.022 0.000 0.814 202 A HN 0.478 nan 8.150 nan 0.000 0.446 203 E N -0.682 119.565 120.200 0.078 0.000 2.153 203 E HA -0.129 4.222 4.350 0.001 0.000 0.194 203 E C 2.233 178.917 176.600 0.140 0.000 0.988 203 E CA 1.088 57.577 56.400 0.149 0.000 0.811 203 E CB -0.128 29.630 29.700 0.097 0.000 0.746 203 E HN 0.608 nan 8.360 nan 0.000 0.466 204 S N -0.443 115.292 115.700 0.058 0.000 2.368 204 S HA -0.141 4.330 4.470 0.001 0.000 0.224 204 S C 1.765 176.510 174.600 0.242 0.000 1.029 204 S CA 0.797 59.060 58.200 0.106 0.000 0.988 204 S CB -0.157 63.076 63.200 0.054 0.000 0.838 204 S HN 0.271 nan 8.310 nan 0.000 0.462 205 Y N 0.198 120.505 120.300 0.010 0.000 2.224 205 Y HA 0.074 4.624 4.550 0.001 0.000 0.289 205 Y C 1.925 177.838 175.900 0.021 0.000 1.146 205 Y CA 0.273 58.341 58.100 -0.053 0.000 1.182 205 Y CB -0.966 37.374 38.460 -0.199 0.000 0.983 205 Y HN 0.336 nan 8.280 nan 0.000 0.524 206 F N 0.072 120.178 119.950 0.259 0.000 2.743 206 F HA 0.060 4.587 4.527 0.001 0.000 0.297 206 F C 0.803 176.713 175.800 0.184 0.000 1.131 206 F CA 0.078 58.221 58.000 0.237 0.000 1.426 206 F CB -0.226 38.938 39.000 0.273 0.000 1.116 206 F HN -0.042 nan 8.300 nan 0.000 0.583 207 Q N 0.399 120.387 119.800 0.314 0.000 2.468 207 Q HA -0.186 4.154 4.340 0.001 0.000 0.289 207 Q C 0.076 176.168 176.000 0.153 0.000 1.299 207 Q CA 0.787 56.702 55.803 0.186 0.000 0.838 207 Q CB -2.746 26.078 28.738 0.145 0.000 1.195 207 Q HN 0.236 nan 8.270 nan 0.000 0.456 208 T N -0.043 114.619 114.554 0.180 0.000 2.940 208 T HA 0.437 4.787 4.350 0.001 0.000 0.309 208 T C 0.816 175.551 174.700 0.057 0.000 1.056 208 T CA 0.604 62.768 62.100 0.107 0.000 1.137 208 T CB 1.311 70.250 68.868 0.120 0.000 0.976 208 T HN 0.505 nan 8.240 nan 0.000 0.547 209 G N 0.475 109.293 108.800 0.030 0.000 2.660 209 G HA2 0.531 4.491 3.960 0.001 0.000 0.290 209 G HA3 0.531 4.491 3.960 0.001 0.000 0.290 209 G C 0.031 174.942 174.900 0.018 0.000 1.432 209 G CA -0.454 44.654 45.100 0.014 0.000 0.807 209 G HN 0.655 nan 8.290 nan 0.000 0.485 210 T N -2.453 112.113 114.554 0.019 0.000 3.288 210 T HA 0.266 4.616 4.350 0.001 0.000 0.293 210 T C 0.198 174.918 174.700 0.033 0.000 1.008 210 T CA 0.576 62.698 62.100 0.037 0.000 0.929 210 T CB 0.394 69.288 68.868 0.042 0.000 1.152 210 T HN 0.484 nan 8.240 nan 0.000 0.517 211 D N 0.367 120.767 120.400 0.000 0.000 2.469 211 D HA 0.072 4.712 4.640 0.001 0.000 0.213 211 D C 1.410 177.651 176.300 -0.099 0.000 1.135 211 D CA -0.031 53.949 54.000 -0.035 0.000 0.834 211 D CB -0.058 40.714 40.800 -0.047 0.000 1.009 211 D HN 0.281 nan 8.370 nan 0.000 0.507 212 Q N -0.473 119.259 119.800 -0.114 0.000 2.369 212 Q HA 0.175 4.515 4.340 0.001 0.000 0.206 212 Q C 0.287 175.930 176.000 -0.594 0.000 0.963 212 Q CA 0.839 56.438 55.803 -0.340 0.000 0.894 212 Q CB -0.189 28.314 28.738 -0.392 0.000 0.965 212 Q HN 0.287 nan 8.270 nan 0.000 0.475 213 F N -0.178 119.615 119.950 -0.261 0.000 2.698 213 F HA 0.228 4.756 4.527 0.001 0.000 0.304 213 F C 1.189 176.787 175.800 -0.337 0.000 1.108 213 F CA -0.553 57.249 58.000 -0.330 0.000 1.263 213 F CB 0.397 39.128 39.000 -0.448 0.000 1.013 213 F HN -0.012 nan 8.300 nan 0.000 0.532 214 K N 0.283 120.608 120.400 -0.125 0.000 2.209 214 K HA -0.119 4.202 4.320 0.001 0.000 0.204 214 K C 0.889 177.449 176.600 -0.067 0.000 1.048 214 K CA 1.710 57.976 56.287 -0.035 0.000 0.940 214 K CB -0.135 32.333 32.500 -0.053 0.000 0.729 214 K HN 0.323 nan 8.250 nan 0.000 0.451 215 E N 1.438 121.490 120.200 -0.247 0.000 2.501 215 E HA 0.056 4.406 4.350 0.001 0.000 0.200 215 E C -0.630 175.861 176.600 -0.181 0.000 1.016 215 E CA -0.334 55.728 56.400 -0.564 0.000 0.921 215 E CB 0.914 30.112 29.700 -0.837 0.000 1.034 215 E HN 0.243 nan 8.360 nan 0.000 0.468 216 S N 0.591 116.311 115.700 0.033 0.000 2.533 216 S HA 0.095 4.565 4.470 0.001 0.000 0.282 216 S C 1.237 175.938 174.600 0.167 0.000 1.304 216 S CA -0.315 57.955 58.200 0.118 0.000 1.063 216 S CB 0.455 63.769 63.200 0.190 0.000 0.881 216 S HN 0.208 nan 8.310 nan 0.000 0.493 217 I N 4.776 125.316 120.570 -0.051 0.000 2.252 217 I HA -0.119 4.051 4.170 0.001 0.000 0.245 217 I C 2.726 178.687 176.117 -0.261 0.000 1.102 217 I CA 0.997 62.023 61.300 -0.456 0.000 1.385 217 I CB -0.204 37.298 38.000 -0.830 0.000 1.064 217 I HN 0.700 nan 8.210 nan 0.000 0.414 218 R N -0.454 119.980 120.500 -0.109 0.000 2.073 218 R HA -0.229 4.111 4.340 0.001 0.000 0.234 218 R C 2.379 178.713 176.300 0.057 0.000 1.134 218 R CA 1.734 57.818 56.100 -0.027 0.000 0.952 218 R CB -0.667 29.624 30.300 -0.015 0.000 0.850 218 R HN 0.385 nan 8.270 nan 0.000 0.433 219 H N 1.248 120.337 119.070 0.032 0.000 2.289 219 H HA -0.103 4.454 4.556 0.001 0.000 0.296 219 H C 1.775 177.172 175.328 0.115 0.000 1.091 219 H CA 2.089 58.177 56.048 0.067 0.000 1.274 219 H CB -0.146 29.685 29.762 0.115 0.000 1.364 219 H HN 0.144 nan 8.280 nan 0.000 0.490 220 N N -0.018 118.783 118.700 0.170 0.000 2.244 220 N HA -0.126 4.614 4.740 0.001 0.000 0.183 220 N C 2.070 177.711 175.510 0.218 0.000 1.016 220 N CA 1.005 54.191 53.050 0.226 0.000 0.866 220 N CB -0.267 38.553 38.487 0.555 0.000 0.980 220 N HN 0.306 nan 8.380 nan 0.000 0.430 221 L N 1.344 122.713 121.223 0.243 0.000 2.012 221 L HA -0.131 4.209 4.340 0.001 0.000 0.210 221 L C 2.138 179.058 176.870 0.083 0.000 1.073 221 L CA 1.397 56.377 54.840 0.232 0.000 0.748 221 L CB -0.567 41.594 42.059 0.170 0.000 0.891 221 L HN -0.124 nan 8.230 nan 0.000 0.431 222 V N -0.794 119.124 119.914 0.007 0.000 2.270 222 V HA -0.246 3.875 4.120 0.001 0.000 0.245 222 V C 2.431 178.447 176.094 -0.130 0.000 1.043 222 V CA 1.627 63.895 62.300 -0.053 0.000 1.014 222 V CB -0.685 31.086 31.823 -0.086 0.000 0.645 222 V HN 0.506 nan 8.190 nan 0.000 0.447 223 L N 1.022 122.130 121.223 -0.190 0.000 2.012 223 L HA -0.197 4.143 4.340 0.001 0.000 0.210 223 L C 2.213 179.012 176.870 -0.118 0.000 1.073 223 L CA 2.151 56.872 54.840 -0.198 0.000 0.748 223 L CB -0.969 40.928 42.059 -0.269 0.000 0.891 223 L HN 0.319 nan 8.230 nan 0.000 0.431 224 N N -0.196 118.482 118.700 -0.037 0.000 2.120 224 N HA -0.205 4.535 4.740 0.001 0.000 0.188 224 N C 1.849 177.338 175.510 -0.034 0.000 1.024 224 N CA 1.361 54.407 53.050 -0.006 0.000 0.852 224 N CB -0.338 38.169 38.487 0.033 0.000 1.003 224 N HN 0.282 nan 8.380 nan 0.000 0.424 225 K N 1.340 121.719 120.400 -0.036 0.000 2.026 225 K HA 0.046 4.366 4.320 0.001 0.000 0.208 225 K C 1.951 178.507 176.600 -0.073 0.000 1.048 225 K CA 0.950 57.215 56.287 -0.036 0.000 0.929 225 K CB -0.469 32.026 32.500 -0.007 0.000 0.713 225 K HN 0.127 nan 8.250 nan 0.000 0.439 226 L N 0.002 121.112 121.223 -0.188 0.000 2.093 226 L HA -0.152 4.188 4.340 0.001 0.000 0.208 226 L C 2.263 178.971 176.870 -0.270 0.000 1.085 226 L CA 1.621 56.235 54.840 -0.376 0.000 0.755 226 L CB -0.810 40.612 42.059 -1.062 0.000 0.904 226 L HN 0.240 nan 8.230 nan 0.000 0.435 227 T N -0.703 113.732 114.554 -0.198 0.000 2.684 227 T HA -0.282 4.069 4.350 0.001 0.000 0.267 227 T C 1.790 176.544 174.700 0.091 0.000 1.036 227 T CA 1.890 64.025 62.100 0.060 0.000 1.148 227 T CB -0.149 68.757 68.868 0.064 0.000 0.863 227 T HN 0.401 nan 8.240 nan 0.000 0.436 228 E N 0.573 120.788 120.200 0.025 0.000 2.047 228 E HA -0.165 4.185 4.350 0.001 0.000 0.191 228 E C 2.222 178.824 176.600 0.004 0.000 0.987 228 E CA 0.920 57.329 56.400 0.014 0.000 0.799 228 E CB 0.032 29.723 29.700 -0.015 0.000 0.752 228 E HN 0.359 nan 8.360 nan 0.000 0.449 229 E N -0.424 119.767 120.200 -0.016 0.000 2.209 229 E HA -0.185 4.165 4.350 0.001 0.000 0.196 229 E C 0.750 177.199 176.600 -0.252 0.000 0.993 229 E CA 1.062 57.381 56.400 -0.134 0.000 0.819 229 E CB -0.004 29.599 29.700 -0.161 0.000 0.745 229 E HN 0.492 nan 8.360 nan 0.000 0.477 230 Y N 0.095 120.436 120.300 0.069 0.000 2.696 230 Y HA 0.184 4.734 4.550 0.001 0.000 0.260 230 Y C 0.527 176.491 175.900 0.107 0.000 1.165 230 Y CA -0.472 57.704 58.100 0.126 0.000 1.189 230 Y CB 0.443 39.068 38.460 0.275 0.000 1.180 230 Y HN -0.258 nan 8.280 nan 0.000 0.538 231 K N 0.917 121.411 120.400 0.157 0.000 2.472 231 K HA 0.184 4.505 4.320 0.001 0.000 0.280 231 K C 1.175 177.832 176.600 0.095 0.000 1.028 231 K CA 1.366 57.722 56.287 0.115 0.000 1.045 231 K CB -0.049 32.488 32.500 0.062 0.000 0.902 231 K HN 0.641 nan 8.250 nan 0.000 0.478 232 G N 3.202 112.060 108.800 0.097 0.000 2.176 232 G HA2 -0.282 3.679 3.960 0.001 0.000 0.253 232 G HA3 -0.282 3.679 3.960 0.001 0.000 0.253 232 G C 0.585 175.537 174.900 0.087 0.000 0.979 232 G CA 0.626 45.771 45.100 0.075 0.000 0.641 232 G HN 0.724 nan 8.290 nan 0.000 0.530 233 Q N -1.375 118.502 119.800 0.128 0.000 2.577 233 Q HA 0.276 4.616 4.340 0.001 0.000 0.242 233 Q C 1.048 177.130 176.000 0.137 0.000 0.818 233 Q CA 0.129 56.019 55.803 0.144 0.000 0.962 233 Q CB 1.030 29.887 28.738 0.198 0.000 1.272 233 Q HN 0.470 nan 8.270 nan 0.000 0.593 234 R N 0.569 121.160 120.500 0.152 0.000 2.698 234 R HA 0.394 4.735 4.340 0.001 0.000 0.275 234 R C -1.621 174.691 176.300 0.022 0.000 1.001 234 R CA -0.711 55.384 56.100 -0.008 0.000 0.896 234 R CB 1.747 31.836 30.300 -0.353 0.000 1.218 234 R HN -0.035 nan 8.270 nan 0.000 0.462 235 D N 1.430 121.777 120.400 -0.089 0.000 2.163 235 D HA 0.401 5.041 4.640 0.001 0.000 0.248 235 D C -0.748 175.415 176.300 -0.227 0.000 1.035 235 D CA 0.069 54.057 54.000 -0.020 0.000 0.872 235 D CB 1.300 42.099 40.800 -0.002 0.000 1.183 235 D HN 0.139 nan 8.370 nan 0.000 0.445 236 F N 0.637 120.589 119.950 0.005 0.000 2.561 236 F HA 0.390 4.917 4.527 0.001 0.000 0.321 236 F C 0.599 176.410 175.800 0.019 0.000 1.065 236 F CA -0.597 57.398 58.000 -0.009 0.000 0.934 236 F CB 1.881 40.868 39.000 -0.021 0.000 1.215 236 F HN 0.226 nan 8.300 nan 0.000 0.471 237 Q N 0.036 119.950 119.800 0.190 0.000 2.737 237 Q HA 0.327 4.667 4.340 0.001 0.000 0.307 237 Q C -1.659 174.449 176.000 0.179 0.000 0.905 237 Q CA -1.267 54.629 55.803 0.155 0.000 0.753 237 Q CB 1.720 30.517 28.738 0.098 0.000 1.463 237 Q HN 0.608 nan 8.270 nan 0.000 0.455 238 Q N 0.935 120.858 119.800 0.204 0.000 2.332 238 Q HA 0.262 4.602 4.340 0.001 0.000 0.263 238 Q C -0.532 175.535 176.000 0.112 0.000 0.979 238 Q CA -0.266 55.666 55.803 0.216 0.000 0.885 238 Q CB 0.558 29.397 28.738 0.169 0.000 1.218 238 Q HN 0.589 nan 8.270 nan 0.000 0.405 239 I N 6.633 127.250 120.570 0.078 0.000 2.821 239 I HA -0.071 4.099 4.170 0.001 0.000 0.294 239 I C -1.971 174.168 176.117 0.036 0.000 1.210 239 I CA -1.273 60.051 61.300 0.041 0.000 1.430 239 I CB 0.132 38.128 38.000 -0.006 0.000 1.356 239 I HN 0.450 nan 8.210 nan 0.000 0.563 240 P HA 0.242 nan 4.420 nan 0.000 0.271 240 P C -0.924 176.373 177.300 -0.006 0.000 1.226 240 P CA 0.112 63.218 63.100 0.011 0.000 0.765 240 P CB 0.479 32.172 31.700 -0.011 0.000 0.835 241 L N 2.349 123.578 121.223 0.010 0.000 2.385 241 L HA 0.623 4.963 4.340 0.001 0.000 0.273 241 L C 0.256 177.119 176.870 -0.011 0.000 0.990 241 L CA -1.163 53.679 54.840 0.004 0.000 0.821 241 L CB 2.172 44.305 42.059 0.123 0.000 1.279 241 L HN 0.246 nan 8.230 nan 0.000 0.412 242 A N 3.178 125.949 122.820 -0.082 0.000 2.671 242 A HA 0.757 5.078 4.320 0.001 0.000 0.306 242 A C 0.048 177.652 177.584 0.033 0.000 1.473 242 A CA 0.124 52.154 52.037 -0.011 0.000 1.155 242 A CB -0.367 18.569 19.000 -0.107 0.000 1.123 242 A HN 0.790 nan 8.150 nan 0.000 0.545 243 A N 1.720 124.528 122.820 -0.020 0.000 2.590 243 A HA 0.735 5.055 4.320 0.001 0.000 0.294 243 A C -0.509 176.953 177.584 -0.203 0.000 1.046 243 A CA -0.478 51.446 52.037 -0.189 0.000 0.684 243 A CB 0.759 19.456 19.000 -0.505 0.000 1.279 243 A HN 0.620 nan 8.150 nan 0.000 0.415 244 T N 1.409 115.811 114.554 -0.252 0.000 2.840 244 T HA 0.477 4.827 4.350 0.001 0.000 0.287 244 T C -0.024 174.513 174.700 -0.271 0.000 0.991 244 T CA -0.420 61.560 62.100 -0.199 0.000 0.964 244 T CB 1.185 69.997 68.868 -0.093 0.000 0.954 244 T HN 0.727 nan 8.240 nan 0.000 0.438 245 R N 2.280 122.605 120.500 -0.292 0.000 2.489 245 R HA 0.194 4.534 4.340 0.001 0.000 0.287 245 R C 0.873 177.085 176.300 -0.148 0.000 1.053 245 R CA -0.191 55.735 56.100 -0.290 0.000 1.036 245 R CB 0.372 30.474 30.300 -0.329 0.000 0.966 245 R HN 0.429 nan 8.270 nan 0.000 0.432 246 R N 1.090 121.556 120.500 -0.057 0.000 2.250 246 R HA 0.133 4.474 4.340 0.001 0.000 0.194 246 R C 0.248 176.531 176.300 -0.029 0.000 0.927 246 R CA 0.658 56.754 56.100 -0.007 0.000 1.052 246 R CB 0.383 30.730 30.300 0.077 0.000 1.055 246 R HN 0.749 nan 8.270 nan 0.000 0.537 247 S N -1.093 114.597 115.700 -0.017 0.000 2.643 247 S HA 0.386 4.856 4.470 0.001 0.000 0.270 247 S C -2.622 171.943 174.600 -0.059 0.000 1.166 247 S CA -1.072 57.108 58.200 -0.033 0.000 0.815 247 S CB 2.203 65.401 63.200 -0.004 0.000 1.139 247 S HN -0.251 nan 8.310 nan 0.000 0.472 248 P HA 0.063 nan 4.420 nan 0.000 0.228 248 P C 0.894 178.166 177.300 -0.046 0.000 1.151 248 P CA 1.417 64.473 63.100 -0.074 0.000 0.770 248 P CB -0.257 31.413 31.700 -0.049 0.000 0.786 249 T N -6.583 107.975 114.554 0.006 0.000 3.170 249 T HA 0.316 4.667 4.350 0.001 0.000 0.288 249 T C -0.291 174.476 174.700 0.112 0.000 0.992 249 T CA -0.358 61.769 62.100 0.045 0.000 0.909 249 T CB -0.601 68.307 68.868 0.068 0.000 1.133 249 T HN -0.102 nan 8.240 nan 0.000 0.530 250 F N 1.440 121.330 119.950 -0.100 0.000 2.573 250 F HA 0.652 5.180 4.527 0.001 0.000 0.316 250 F C -1.616 174.052 175.800 -0.220 0.000 1.148 250 F CA -1.033 56.902 58.000 -0.108 0.000 0.940 250 F CB 1.928 40.880 39.000 -0.079 0.000 1.214 250 F HN -0.114 nan 8.300 nan 0.000 0.448 251 V N 5.306 124.812 119.914 -0.679 0.000 2.448 251 V HA 0.279 4.399 4.120 0.001 0.000 0.295 251 V C -0.386 175.078 176.094 -1.049 0.000 1.025 251 V CA -0.789 61.019 62.300 -0.819 0.000 0.859 251 V CB 1.678 32.828 31.823 -1.121 0.000 0.988 251 V HN 0.726 nan 8.190 nan 0.000 0.431 252 E N 4.688 124.562 120.200 -0.544 0.000 1.996 252 E HA 0.153 4.504 4.350 0.001 0.000 0.280 252 E C -1.064 175.318 176.600 -0.364 0.000 1.092 252 E CA -0.550 55.692 56.400 -0.263 0.000 0.862 252 E CB 0.441 30.195 29.700 0.089 0.000 1.066 252 E HN 0.628 nan 8.360 nan 0.000 0.396 253 W N 2.897 124.072 121.300 -0.209 0.000 2.190 253 W HA 0.119 4.779 4.660 0.001 0.000 0.330 253 W C 0.693 177.214 176.519 0.004 0.000 1.299 253 W CA -0.539 56.659 57.345 -0.244 0.000 1.215 253 W CB 0.890 29.957 29.460 -0.656 0.000 1.147 253 W HN 0.328 nan 8.180 nan 0.000 0.563 254 S N 1.569 117.466 115.700 0.327 0.000 2.624 254 S HA 0.606 5.077 4.470 0.001 0.000 0.263 254 S C 0.146 175.191 174.600 0.742 0.000 1.287 254 S CA -0.503 57.971 58.200 0.457 0.000 0.990 254 S CB 1.132 64.609 63.200 0.462 0.000 0.950 254 S HN 0.524 nan 8.310 nan 0.000 0.561 255 S N -0.491 115.597 115.700 0.647 0.000 2.724 255 S HA 0.668 5.139 4.470 0.001 0.000 0.278 255 S C 0.779 175.581 174.600 0.337 0.000 1.190 255 S CA -0.328 58.187 58.200 0.524 0.000 0.860 255 S CB 0.444 63.874 63.200 0.382 0.000 1.206 255 S HN 0.737 nan 8.310 nan 0.000 0.507 256 A N 1.755 124.667 122.820 0.153 0.000 1.903 256 A HA -0.221 4.100 4.320 0.001 0.000 0.219 256 A C 2.012 179.646 177.584 0.084 0.000 1.191 256 A CA 2.312 54.397 52.037 0.079 0.000 0.638 256 A CB -1.652 17.366 19.000 0.030 0.000 0.823 256 A HN 0.883 nan 8.150 nan 0.000 0.451 257 N N -0.673 118.084 118.700 0.095 0.000 2.205 257 N HA -0.157 4.584 4.740 0.001 0.000 0.186 257 N C 1.509 177.045 175.510 0.044 0.000 1.015 257 N CA 2.006 55.086 53.050 0.049 0.000 0.862 257 N CB -0.237 38.291 38.487 0.069 0.000 0.986 257 N HN 0.494 nan 8.380 nan 0.000 0.429 258 T N 0.330 114.959 114.554 0.125 0.000 2.788 258 T HA -0.051 4.299 4.350 0.001 0.000 0.268 258 T C 2.057 176.787 174.700 0.051 0.000 1.044 258 T CA 1.121 63.297 62.100 0.127 0.000 1.139 258 T CB -0.144 68.877 68.868 0.256 0.000 0.867 258 T HN 0.067 nan 8.240 nan 0.000 0.454 259 V N -0.534 119.391 119.914 0.018 0.000 2.379 259 V HA 0.192 4.313 4.120 0.001 0.000 0.245 259 V C 0.465 176.511 176.094 -0.080 0.000 1.044 259 V CA 0.878 63.108 62.300 -0.116 0.000 1.036 259 V CB -0.380 31.331 31.823 -0.187 0.000 0.664 259 V HN 0.497 nan 8.190 nan 0.000 0.453 260 F N 1.064 120.891 119.950 -0.205 0.000 2.623 260 F HA 0.370 4.897 4.527 0.001 0.000 0.323 260 F C 0.224 175.911 175.800 -0.188 0.000 1.158 260 F CA -1.480 56.370 58.000 -0.249 0.000 1.030 260 F CB 1.328 40.131 39.000 -0.328 0.000 1.280 260 F HN 0.134 nan 8.300 nan 0.000 0.474 261 D N 5.201 125.152 120.400 -0.748 0.000 2.371 261 D HA -0.077 4.564 4.640 0.001 0.000 0.221 261 D C 1.215 177.248 176.300 -0.445 0.000 0.986 261 D CA 1.202 54.916 54.000 -0.477 0.000 0.899 261 D CB -0.021 40.552 40.800 -0.378 0.000 0.902 261 D HN 0.718 nan 8.370 nan 0.000 0.530 262 L N -1.986 118.820 121.223 -0.695 0.000 4.696 262 L HA -0.241 4.099 4.340 0.001 0.000 0.425 262 L C -0.195 176.649 176.870 -0.043 0.000 1.115 262 L CA 0.473 55.194 54.840 -0.199 0.000 0.996 262 L CB -1.313 40.757 42.059 0.018 0.000 2.077 262 L HN 0.243 nan 8.230 nan 0.000 0.792 263 Q N 0.810 120.483 119.800 -0.210 0.000 2.327 263 Q HA 0.258 4.599 4.340 0.001 0.000 0.254 263 Q C 0.365 176.425 176.000 0.100 0.000 0.952 263 Q CA -0.194 55.570 55.803 -0.064 0.000 0.884 263 Q CB 0.767 29.432 28.738 -0.121 0.000 1.224 263 Q HN 0.127 nan 8.270 nan 0.000 0.422 264 N N 1.789 120.543 118.700 0.089 0.000 2.441 264 N HA 0.122 4.863 4.740 0.001 0.000 0.251 264 N C -0.324 175.249 175.510 0.104 0.000 1.242 264 N CA 0.358 53.471 53.050 0.105 0.000 0.898 264 N CB 0.612 39.065 38.487 -0.056 0.000 1.100 264 N HN 0.272 nan 8.380 nan 0.000 0.443 265 R N 0.913 121.499 120.500 0.144 0.000 2.725 265 R HA 0.475 4.815 4.340 0.001 0.000 0.277 265 R C -2.577 173.770 176.300 0.078 0.000 0.987 265 R CA -1.627 54.541 56.100 0.113 0.000 0.901 265 R CB 1.714 32.106 30.300 0.154 0.000 1.207 265 R HN 0.347 nan 8.270 nan 0.000 0.463 266 P HA 0.070 nan 4.420 nan 0.000 0.268 266 P C -1.228 176.120 177.300 0.080 0.000 1.205 266 P CA -0.160 63.016 63.100 0.126 0.000 0.771 266 P CB 0.571 32.397 31.700 0.209 0.000 0.858 267 N N -1.007 117.730 118.700 0.062 0.000 3.157 267 N HA 0.293 5.033 4.740 0.001 0.000 0.291 267 N C 0.467 175.991 175.510 0.025 0.000 1.515 267 N CA -0.749 52.320 53.050 0.032 0.000 0.807 267 N CB -0.449 38.044 38.487 0.010 0.000 1.672 267 N HN 0.018 nan 8.380 nan 0.000 0.592 268 T N -0.783 113.777 114.554 0.009 0.000 2.746 268 T HA -0.091 4.260 4.350 0.001 0.000 0.267 268 T C 0.403 175.104 174.700 0.001 0.000 1.039 268 T CA 1.515 63.618 62.100 0.004 0.000 1.142 268 T CB -0.457 68.410 68.868 -0.003 0.000 0.866 268 T HN 0.504 nan 8.240 nan 0.000 0.444 269 D N 1.153 121.549 120.400 -0.007 0.000 2.269 269 D HA 0.129 4.770 4.640 0.001 0.000 0.208 269 D C 0.874 177.173 176.300 -0.002 0.000 0.963 269 D CA 0.503 54.496 54.000 -0.012 0.000 0.864 269 D CB 0.135 40.917 40.800 -0.030 0.000 0.936 269 D HN 0.387 nan 8.370 nan 0.000 0.505 270 A N 1.147 123.974 122.820 0.012 0.000 3.370 270 A HA 0.322 4.643 4.320 0.001 0.000 0.295 270 A C -1.981 175.646 177.584 0.072 0.000 1.030 270 A CA -0.841 51.217 52.037 0.035 0.000 0.883 270 A CB 0.936 19.953 19.000 0.027 0.000 1.191 270 A HN -0.146 nan 8.150 nan 0.000 0.507 271 P HA -0.055 nan 4.420 nan 0.000 0.229 271 P C 0.595 177.999 177.300 0.173 0.000 1.160 271 P CA 1.097 64.251 63.100 0.090 0.000 0.777 271 P CB 0.386 32.108 31.700 0.036 0.000 0.814 272 E N -0.466 119.847 120.200 0.188 0.000 2.501 272 E HA 0.105 4.455 4.350 0.001 0.000 0.201 272 E C 0.193 177.013 176.600 0.366 0.000 1.016 272 E CA -0.040 56.558 56.400 0.331 0.000 0.920 272 E CB 0.392 30.191 29.700 0.166 0.000 1.023 272 E HN 0.459 nan 8.360 nan 0.000 0.474 273 E N 0.948 121.277 120.200 0.216 0.000 2.227 273 E HA 0.435 4.786 4.350 0.001 0.000 0.268 273 E C -0.290 176.331 176.600 0.034 0.000 0.990 273 E CA -0.518 55.947 56.400 0.108 0.000 0.856 273 E CB 1.468 31.234 29.700 0.111 0.000 1.159 273 E HN -0.111 nan 8.360 nan 0.000 0.401 274 R N 1.793 122.292 120.500 -0.001 0.000 2.500 274 R HA 0.427 4.767 4.340 0.001 0.000 0.299 274 R C -1.610 174.771 176.300 0.135 0.000 1.038 274 R CA -0.537 55.536 56.100 -0.044 0.000 0.903 274 R CB 1.034 31.188 30.300 -0.243 0.000 1.177 274 R HN 0.406 nan 8.270 nan 0.000 0.455 275 F N 2.088 122.016 119.950 -0.036 0.000 2.615 275 F HA 0.448 4.975 4.527 0.001 0.000 0.312 275 F C -1.764 173.966 175.800 -0.117 0.000 1.119 275 F CA -0.632 57.341 58.000 -0.045 0.000 0.979 275 F CB 2.107 41.146 39.000 0.065 0.000 1.266 275 F HN 0.394 nan 8.300 nan 0.000 0.444 276 N N 4.473 122.456 118.700 -1.194 0.000 2.310 276 N HA 0.588 5.329 4.740 0.001 0.000 0.292 276 N C -2.083 172.415 175.510 -1.686 0.000 1.049 276 N CA -0.598 51.721 53.050 -1.220 0.000 0.849 276 N CB 2.440 40.391 38.487 -0.893 0.000 1.532 276 N HN 0.605 nan 8.380 nan 0.000 0.479 277 L N 2.412 122.866 121.223 -1.282 0.000 2.295 277 L HA 0.648 4.988 4.340 0.001 0.000 0.285 277 L C -1.611 174.729 176.870 -0.884 0.000 1.035 277 L CA -0.228 54.097 54.840 -0.859 0.000 0.806 277 L CB 0.235 42.130 42.059 -0.273 0.000 1.214 277 L HN 0.472 nan 8.230 nan 0.000 0.426 278 F N 6.399 126.074 119.950 -0.457 0.000 2.443 278 F HA 0.524 5.052 4.527 0.001 0.000 0.369 278 F C -2.133 173.586 175.800 -0.134 0.000 1.090 278 F CA -2.106 55.710 58.000 -0.306 0.000 1.129 278 F CB 0.639 39.377 39.000 -0.437 0.000 1.367 278 F HN 0.414 nan 8.300 nan 0.000 0.465 279 P HA 0.277 nan 4.420 nan 0.000 0.274 279 P C -0.017 177.330 177.300 0.078 0.000 1.256 279 P CA -0.172 62.960 63.100 0.053 0.000 0.795 279 P CB 0.875 32.588 31.700 0.022 0.000 1.038 280 A N -1.173 121.678 122.820 0.052 0.000 2.745 280 A HA -0.103 4.217 4.320 0.001 0.000 0.296 280 A C -0.064 177.542 177.584 0.036 0.000 1.500 280 A CA 0.735 52.795 52.037 0.039 0.000 0.766 280 A CB -2.385 16.638 19.000 0.039 0.000 1.030 280 A HN 0.249 nan 8.150 nan 0.000 0.489 281 V N -0.257 119.693 119.914 0.059 0.000 2.443 281 V HA 0.670 4.790 4.120 0.001 0.000 0.293 281 V C 0.565 176.662 176.094 0.005 0.000 1.021 281 V CA -0.313 62.023 62.300 0.059 0.000 0.848 281 V CB 1.593 33.543 31.823 0.212 0.000 0.998 281 V HN 1.469 nan 8.190 nan 0.000 0.424 282 A N 4.204 127.001 122.820 -0.039 0.000 2.309 282 A HA 0.493 4.814 4.320 0.001 0.000 0.290 282 A C 0.070 177.615 177.584 -0.065 0.000 1.206 282 A CA -0.181 51.818 52.037 -0.063 0.000 0.850 282 A CB -0.007 18.998 19.000 0.009 0.000 1.118 282 A HN 0.867 nan 8.150 nan 0.000 0.523 283 C N 2.731 121.972 119.300 -0.098 0.000 2.347 283 C HA 0.388 4.848 4.460 0.001 0.000 0.353 283 C C 1.332 176.280 174.990 -0.069 0.000 1.273 283 C CA -0.276 58.670 59.018 -0.120 0.000 1.861 283 C CB -0.238 27.426 27.740 -0.127 0.000 2.420 283 C HN 1.018 nan 8.230 nan 0.000 0.542 284 E N 1.043 121.226 120.200 -0.027 0.000 2.332 284 E HA 0.107 4.457 4.350 0.001 0.000 0.202 284 E C 0.390 176.998 176.600 0.013 0.000 0.877 284 E CA 0.276 56.691 56.400 0.025 0.000 0.979 284 E CB 0.552 30.328 29.700 0.127 0.000 0.969 284 E HN 0.793 nan 8.360 nan 0.000 0.495 285 R N -0.219 120.296 120.500 0.025 0.000 2.728 285 R HA 0.390 4.730 4.340 0.001 0.000 0.274 285 R C -1.022 175.263 176.300 -0.025 0.000 1.032 285 R CA -0.839 55.255 56.100 -0.011 0.000 0.866 285 R CB 0.852 31.140 30.300 -0.019 0.000 1.263 285 R HN -0.077 nan 8.270 nan 0.000 0.475 286 V N -0.626 119.253 119.914 -0.058 0.000 2.472 286 V HA 0.669 4.789 4.120 0.001 0.000 0.290 286 V C -0.077 175.961 176.094 -0.094 0.000 1.037 286 V CA -0.880 61.346 62.300 -0.124 0.000 0.908 286 V CB 1.707 33.413 31.823 -0.195 0.000 0.985 286 V HN 0.504 nan 8.190 nan 0.000 0.454 287 V N 5.587 125.427 119.914 -0.123 0.000 2.364 287 V HA 0.453 4.573 4.120 0.001 0.000 0.272 287 V C 0.617 176.678 176.094 -0.055 0.000 1.036 287 V CA -0.432 61.821 62.300 -0.079 0.000 0.880 287 V CB 0.877 32.666 31.823 -0.057 0.000 0.991 287 V HN 0.940 nan 8.190 nan 0.000 0.460 288 R N 3.887 124.371 120.500 -0.026 0.000 2.441 288 R HA 0.296 4.636 4.340 0.001 0.000 0.284 288 R C 0.354 176.682 176.300 0.048 0.000 1.070 288 R CA -0.581 55.563 56.100 0.072 0.000 1.047 288 R CB 0.638 30.960 30.300 0.038 0.000 1.016 288 R HN 0.856 nan 8.270 nan 0.000 0.477 289 N N 1.538 120.284 118.700 0.076 0.000 2.354 289 N HA -0.012 4.728 4.740 0.001 0.000 0.246 289 N C 0.579 176.085 175.510 -0.006 0.000 1.285 289 N CA 0.189 53.252 53.050 0.022 0.000 0.925 289 N CB 0.530 39.026 38.487 0.015 0.000 1.174 289 N HN 0.579 nan 8.380 nan 0.000 0.478 290 A N 0.735 123.544 122.820 -0.019 0.000 1.940 290 A HA -0.090 4.230 4.320 0.001 0.000 0.219 290 A C 2.205 179.761 177.584 -0.047 0.000 1.176 290 A CA 1.058 53.077 52.037 -0.031 0.000 0.631 290 A CB -0.837 18.148 19.000 -0.026 0.000 0.814 290 A HN 0.665 nan 8.150 nan 0.000 0.446 291 L N -0.933 120.254 121.223 -0.061 0.000 2.552 291 L HA -0.044 4.296 4.340 0.001 0.000 0.227 291 L C 0.040 176.815 176.870 -0.159 0.000 1.146 291 L CA 0.077 54.862 54.840 -0.091 0.000 0.858 291 L CB -0.474 41.533 42.059 -0.087 0.000 0.969 291 L HN 0.411 nan 8.230 nan 0.000 0.451 292 N N 0.158 118.750 118.700 -0.181 0.000 2.727 292 N HA -0.173 4.568 4.740 0.001 0.000 0.251 292 N C 0.790 175.704 175.510 -0.993 0.000 1.040 292 N CA 1.023 53.858 53.050 -0.358 0.000 0.712 292 N CB -1.151 37.267 38.487 -0.115 0.000 0.912 292 N HN 0.538 nan 8.380 nan 0.000 0.545 293 S N -2.126 113.113 115.700 -0.768 0.000 2.687 293 S HA 0.268 4.739 4.470 0.001 0.000 0.247 293 S C 0.233 174.605 174.600 -0.381 0.000 1.050 293 S CA -0.229 57.592 58.200 -0.632 0.000 1.063 293 S CB 1.599 64.640 63.200 -0.264 0.000 1.039 293 S HN 0.381 nan 8.310 nan 0.000 0.580 294 E N 0.430 120.537 120.200 -0.154 0.000 2.363 294 E HA 0.414 4.764 4.350 0.001 0.000 0.281 294 E C -1.720 175.072 176.600 0.321 0.000 0.953 294 E CA -0.797 55.715 56.400 0.187 0.000 0.778 294 E CB 1.332 31.099 29.700 0.112 0.000 1.220 294 E HN 0.104 nan 8.360 nan 0.000 0.431 295 I N 3.606 124.332 120.570 0.260 0.000 2.365 295 I HA 0.136 4.307 4.170 0.001 0.000 0.291 295 I C 0.880 176.952 176.117 -0.074 0.000 1.004 295 I CA 0.031 61.310 61.300 -0.035 0.000 1.311 295 I CB 1.294 39.047 38.000 -0.410 0.000 1.401 295 I HN 0.691 nan 8.210 nan 0.000 0.491 296 E N 3.279 123.431 120.200 -0.080 0.000 2.389 296 E HA 0.086 4.437 4.350 0.001 0.000 0.199 296 E C 0.224 176.856 176.600 0.053 0.000 0.978 296 E CA 0.309 56.726 56.400 0.028 0.000 0.912 296 E CB 0.582 30.303 29.700 0.034 0.000 0.907 296 E HN 0.726 nan 8.360 nan 0.000 0.494 297 S N -0.402 115.246 115.700 -0.086 0.000 2.627 297 S HA 0.441 4.911 4.470 0.001 0.000 0.268 297 S C -1.601 172.956 174.600 -0.071 0.000 1.130 297 S CA -1.077 57.155 58.200 0.052 0.000 0.819 297 S CB 1.105 64.359 63.200 0.090 0.000 1.100 297 S HN 0.015 nan 8.310 nan 0.000 0.465 298 L N 2.042 123.323 121.223 0.098 0.000 2.305 298 L HA 0.688 5.029 4.340 0.001 0.000 0.284 298 L C -0.773 176.100 176.870 0.004 0.000 1.013 298 L CA -0.139 54.715 54.840 0.025 0.000 0.819 298 L CB 1.208 43.306 42.059 0.066 0.000 1.227 298 L HN 1.012 nan 8.230 nan 0.000 0.417 299 H N 5.413 124.435 119.070 -0.080 0.000 2.562 299 H HA 0.641 5.198 4.556 0.001 0.000 0.314 299 H C -0.560 174.716 175.328 -0.086 0.000 1.079 299 H CA -0.239 55.771 56.048 -0.064 0.000 1.349 299 H CB 0.728 30.457 29.762 -0.055 0.000 1.432 299 H HN 0.656 nan 8.280 nan 0.000 0.479 300 I N 1.584 121.815 120.570 -0.565 0.000 2.892 300 I HA 0.424 4.594 4.170 0.001 0.000 0.306 300 I C -1.235 174.716 176.117 -0.276 0.000 1.078 300 I CA -0.999 60.082 61.300 -0.365 0.000 1.032 300 I CB 2.654 40.423 38.000 -0.385 0.000 1.229 300 I HN 0.651 nan 8.210 nan 0.000 0.435 301 H N 3.164 122.116 119.070 -0.195 0.000 2.906 301 H HA 0.235 4.791 4.556 0.001 0.000 0.324 301 H C -1.571 173.755 175.328 -0.003 0.000 0.973 301 H CA -0.627 55.364 56.048 -0.095 0.000 1.321 301 H CB 1.490 31.222 29.762 -0.049 0.000 1.535 301 H HN 0.783 nan 8.280 nan 0.000 0.518 302 D N 5.431 125.794 120.400 -0.061 0.000 2.339 302 D HA 0.009 4.649 4.640 0.001 0.000 0.256 302 D C 1.066 177.178 176.300 -0.313 0.000 1.214 302 D CA -0.129 53.822 54.000 -0.083 0.000 0.877 302 D CB 1.047 41.910 40.800 0.106 0.000 1.111 302 D HN 0.670 nan 8.370 nan 0.000 0.478 303 L N 4.055 125.126 121.223 -0.254 0.000 2.395 303 L HA -0.082 4.259 4.340 0.001 0.000 0.218 303 L C 1.797 178.606 176.870 -0.102 0.000 1.130 303 L CA 0.091 54.783 54.840 -0.246 0.000 0.826 303 L CB -0.053 41.959 42.059 -0.078 0.000 0.941 303 L HN 0.502 nan 8.230 nan 0.000 0.451 304 I N -0.468 120.074 120.570 -0.046 0.000 2.296 304 I HA -0.127 4.043 4.170 0.001 0.000 0.242 304 I C 2.710 178.830 176.117 0.005 0.000 1.087 304 I CA 1.594 62.892 61.300 -0.003 0.000 1.393 304 I CB -1.193 36.819 38.000 0.020 0.000 1.093 304 I HN 0.247 nan 8.210 nan 0.000 0.421 305 S N 0.193 115.903 115.700 0.017 0.000 2.458 305 S HA 0.174 4.644 4.470 0.001 0.000 0.223 305 S C 1.826 176.445 174.600 0.033 0.000 1.019 305 S CA 0.737 58.960 58.200 0.039 0.000 0.937 305 S CB 0.152 63.399 63.200 0.078 0.000 0.788 305 S HN 0.574 nan 8.310 nan 0.000 0.511 306 G N 1.140 109.945 108.800 0.009 0.000 2.175 306 G HA2 -0.189 3.771 3.960 0.001 0.000 0.244 306 G HA3 -0.189 3.771 3.960 0.001 0.000 0.244 306 G C -0.405 174.567 174.900 0.120 0.000 0.982 306 G CA 0.100 45.243 45.100 0.072 0.000 0.641 306 G HN 0.548 nan 8.290 nan 0.000 0.527 307 D N 0.484 120.909 120.400 0.041 0.000 2.382 307 D HA 0.511 5.152 4.640 0.001 0.000 0.240 307 D C 0.969 177.179 176.300 -0.150 0.000 1.146 307 D CA 0.265 54.195 54.000 -0.117 0.000 0.897 307 D CB 0.542 41.210 40.800 -0.221 0.000 1.197 307 D HN 0.409 nan 8.370 nan 0.000 0.432 308 R N 0.753 121.007 120.500 -0.411 0.000 2.637 308 R HA 0.598 4.938 4.340 0.001 0.000 0.291 308 R C -0.776 175.086 176.300 -0.730 0.000 0.963 308 R CA -0.673 55.204 56.100 -0.371 0.000 0.901 308 R CB 1.289 31.496 30.300 -0.155 0.000 1.160 308 R HN 0.291 nan 8.270 nan 0.000 0.457 309 F N -0.042 119.792 119.950 -0.192 0.000 2.629 309 F HA 0.368 4.895 4.527 0.001 0.000 0.316 309 F C 0.140 175.865 175.800 -0.124 0.000 1.081 309 F CA -1.105 56.825 58.000 -0.117 0.000 0.954 309 F CB 1.723 40.656 39.000 -0.112 0.000 1.337 309 F HN 0.122 nan 8.300 nan 0.000 0.474 310 E N 2.350 122.671 120.200 0.201 0.000 2.151 310 E HA 0.406 4.756 4.350 0.001 0.000 0.275 310 E C -0.868 175.807 176.600 0.125 0.000 0.936 310 E CA -0.393 56.097 56.400 0.151 0.000 0.777 310 E CB 2.088 31.878 29.700 0.150 0.000 1.108 310 E HN 0.302 nan 8.360 nan 0.000 0.401 311 I N 2.336 122.955 120.570 0.082 0.000 2.377 311 I HA 0.298 4.469 4.170 0.001 0.000 0.293 311 I C 0.320 176.553 176.117 0.192 0.000 0.987 311 I CA -0.717 60.646 61.300 0.104 0.000 1.185 311 I CB 1.461 39.466 38.000 0.009 0.000 1.341 311 I HN 0.259 nan 8.210 nan 0.000 0.455 312 K N 4.539 125.052 120.400 0.189 0.000 2.182 312 K HA 0.825 5.146 4.320 0.001 0.000 0.262 312 K C -1.083 175.601 176.600 0.140 0.000 0.957 312 K CA -0.367 56.046 56.287 0.210 0.000 0.842 312 K CB 1.979 34.569 32.500 0.149 0.000 1.099 312 K HN 0.818 nan 8.250 nan 0.000 0.438 313 A N 2.725 125.558 122.820 0.021 0.000 2.594 313 A HA 0.322 4.643 4.320 0.001 0.000 0.291 313 A C -0.537 176.931 177.584 -0.194 0.000 1.105 313 A CA -0.717 51.199 52.037 -0.202 0.000 0.694 313 A CB 1.216 19.907 19.000 -0.515 0.000 1.291 313 A HN 0.820 nan 8.150 nan 0.000 0.410 314 D N -0.424 119.909 120.400 -0.111 0.000 2.183 314 D HA 0.090 4.731 4.640 0.001 0.000 0.203 314 D C 0.336 176.545 176.300 -0.151 0.000 0.969 314 D CA 1.715 55.714 54.000 -0.002 0.000 0.842 314 D CB 0.183 41.043 40.800 0.100 0.000 0.957 314 D HN 0.226 nan 8.370 nan 0.000 0.484 315 V N 0.497 120.168 119.914 -0.404 0.000 2.709 315 V HA 0.280 4.401 4.120 0.001 0.000 0.308 315 V C -1.295 174.524 176.094 -0.459 0.000 1.062 315 V CA -0.899 61.160 62.300 -0.401 0.000 0.901 315 V CB 1.972 33.434 31.823 -0.603 0.000 1.003 315 V HN -0.080 nan 8.190 nan 0.000 0.425 316 Y N 2.739 123.024 120.300 -0.025 0.000 2.341 316 Y HA 0.708 5.258 4.550 0.001 0.000 0.338 316 Y C -0.121 175.739 175.900 -0.067 0.000 0.965 316 Y CA -0.963 57.109 58.100 -0.047 0.000 1.108 316 Y CB 2.124 40.560 38.460 -0.040 0.000 1.180 316 Y HN 0.347 nan 8.280 nan 0.000 0.458 317 V N 5.408 125.278 119.914 -0.073 0.000 2.444 317 V HA 0.404 4.524 4.120 0.001 0.000 0.294 317 V C -0.462 175.496 176.094 -0.227 0.000 1.022 317 V CA -0.935 61.208 62.300 -0.261 0.000 0.850 317 V CB 1.632 33.073 31.823 -0.636 0.000 0.992 317 V HN 0.594 nan 8.190 nan 0.000 0.426 318 L N 5.089 126.177 121.223 -0.225 0.000 2.265 318 L HA 0.593 4.933 4.340 0.001 0.000 0.289 318 L C 0.362 177.128 176.870 -0.172 0.000 1.033 318 L CA -0.169 54.562 54.840 -0.181 0.000 0.814 318 L CB 1.621 43.556 42.059 -0.206 0.000 1.203 318 L HN 0.830 nan 8.230 nan 0.000 0.423 319 T N -1.572 112.919 114.554 -0.104 0.000 3.741 319 T HA 0.360 4.710 4.350 0.001 0.000 0.242 319 T C 0.563 175.272 174.700 0.014 0.000 1.042 319 T CA -0.115 61.965 62.100 -0.033 0.000 1.278 319 T CB 0.963 69.813 68.868 -0.030 0.000 0.994 319 T HN 0.540 nan 8.240 nan 0.000 0.594 320 A N 0.778 123.615 122.820 0.029 0.000 2.379 320 A HA 0.781 5.101 4.320 0.001 0.000 0.236 320 A C 1.392 179.053 177.584 0.127 0.000 1.272 320 A CA 0.089 52.164 52.037 0.064 0.000 0.886 320 A CB -0.757 18.277 19.000 0.057 0.000 0.962 320 A HN 1.754 nan 8.150 nan 0.000 0.504 321 G N -2.425 106.450 108.800 0.125 0.000 2.699 321 G HA2 0.248 4.208 3.960 0.001 0.000 0.686 321 G HA3 0.248 4.208 3.960 0.001 0.000 0.686 321 G C 0.751 175.755 174.900 0.172 0.000 1.301 321 G CA -0.331 44.854 45.100 0.142 0.000 0.816 321 G HN 1.289 nan 8.290 nan 0.000 0.595 322 A N -0.494 122.412 122.820 0.142 0.000 1.969 322 A HA 0.272 4.592 4.320 0.001 0.000 0.218 322 A C 2.593 180.259 177.584 0.136 0.000 1.169 322 A CA 3.036 55.150 52.037 0.128 0.000 0.635 322 A CB -0.250 18.795 19.000 0.074 0.000 0.810 322 A HN 1.547 nan 8.150 nan 0.000 0.445 323 V N -1.045 118.908 119.914 0.065 0.000 2.331 323 V HA -0.161 3.959 4.120 0.001 0.000 0.242 323 V C 2.173 178.260 176.094 -0.012 0.000 1.034 323 V CA 2.009 64.305 62.300 -0.006 0.000 1.027 323 V CB -0.986 30.720 31.823 -0.195 0.000 0.667 323 V HN 0.725 nan 8.190 nan 0.000 0.457 324 H N -0.125 119.023 119.070 0.130 0.000 2.502 324 H HA -0.025 4.532 4.556 0.001 0.000 0.283 324 H C 2.229 177.559 175.328 0.003 0.000 1.015 324 H CA 0.990 57.070 56.048 0.054 0.000 1.298 324 H CB 0.095 29.869 29.762 0.020 0.000 1.411 324 H HN 0.319 nan 8.280 nan 0.000 0.556 325 N N -0.139 118.639 118.700 0.129 0.000 2.120 325 N HA -0.115 4.625 4.740 0.001 0.000 0.188 325 N C 1.770 177.272 175.510 -0.013 0.000 1.024 325 N CA 1.666 54.727 53.050 0.017 0.000 0.852 325 N CB -0.466 38.013 38.487 -0.013 0.000 1.003 325 N HN 0.308 nan 8.380 nan 0.000 0.424 326 T N 0.897 115.517 114.554 0.110 0.000 2.720 326 T HA -0.189 4.162 4.350 0.001 0.000 0.268 326 T C 1.844 176.418 174.700 -0.210 0.000 1.037 326 T CA 1.197 63.360 62.100 0.104 0.000 1.144 326 T CB -0.230 68.834 68.868 0.328 0.000 0.864 326 T HN 0.362 nan 8.240 nan 0.000 0.444 327 Q N 0.038 119.594 119.800 -0.408 0.000 2.084 327 Q HA -0.122 4.218 4.340 0.001 0.000 0.202 327 Q C 2.293 178.030 176.000 -0.438 0.000 0.978 327 Q CA 1.120 56.368 55.803 -0.924 0.000 0.844 327 Q CB -0.232 28.279 28.738 -0.379 0.000 0.898 327 Q HN 0.338 nan 8.270 nan 0.000 0.426 328 L N 0.624 121.723 121.223 -0.206 0.000 2.017 328 L HA -0.142 4.198 4.340 0.001 0.000 0.208 328 L C 2.031 178.823 176.870 -0.130 0.000 1.073 328 L CA 1.595 56.351 54.840 -0.140 0.000 0.745 328 L CB -0.736 41.261 42.059 -0.103 0.000 0.894 328 L HN 0.319 nan 8.230 nan 0.000 0.432 329 L N -1.888 119.242 121.223 -0.155 0.000 2.056 329 L HA -0.191 4.150 4.340 0.001 0.000 0.207 329 L C 2.424 179.336 176.870 0.070 0.000 1.078 329 L CA 0.893 55.673 54.840 -0.099 0.000 0.749 329 L CB -0.573 41.321 42.059 -0.275 0.000 0.901 329 L HN 0.070 nan 8.230 nan 0.000 0.433 330 V N -0.087 119.791 119.914 -0.060 0.000 2.407 330 V HA -0.264 3.856 4.120 0.001 0.000 0.248 330 V C 2.073 178.141 176.094 -0.044 0.000 1.055 330 V CA 1.926 64.209 62.300 -0.029 0.000 1.049 330 V CB -0.677 31.083 31.823 -0.105 0.000 0.662 330 V HN 0.483 nan 8.190 nan 0.000 0.455 331 N N -0.020 118.613 118.700 -0.110 0.000 2.520 331 N HA -0.091 4.649 4.740 0.001 0.000 0.185 331 N C 1.541 177.030 175.510 -0.035 0.000 1.068 331 N CA 1.085 54.093 53.050 -0.070 0.000 0.911 331 N CB -0.020 38.415 38.487 -0.087 0.000 0.961 331 N HN 0.403 nan 8.380 nan 0.000 0.446 332 S N -1.675 114.027 115.700 0.004 0.000 2.540 332 S HA 0.326 4.797 4.470 0.001 0.000 0.218 332 S C 1.110 175.680 174.600 -0.051 0.000 0.977 332 S CA 0.246 58.454 58.200 0.012 0.000 0.918 332 S CB 0.682 63.945 63.200 0.105 0.000 0.806 332 S HN 0.516 nan 8.310 nan 0.000 0.496 333 G N 1.143 109.921 108.800 -0.036 0.000 2.159 333 G HA2 -0.219 3.741 3.960 0.001 0.000 0.227 333 G HA3 -0.219 3.741 3.960 0.001 0.000 0.227 333 G C -0.073 174.723 174.900 -0.172 0.000 0.986 333 G CA -0.578 44.452 45.100 -0.116 0.000 0.651 333 G HN 0.403 nan 8.290 nan 0.000 0.523 334 F N 0.932 120.852 119.950 -0.050 0.000 2.382 334 F HA 0.537 5.064 4.527 0.001 0.000 0.331 334 F C 1.668 177.477 175.800 0.014 0.000 1.121 334 F CA 0.961 58.946 58.000 -0.026 0.000 1.183 334 F CB 0.686 39.644 39.000 -0.071 0.000 1.207 334 F HN 0.776 nan 8.300 nan 0.000 0.555 335 G N 1.665 110.605 108.800 0.235 0.000 2.582 335 G HA2 -0.299 3.661 3.960 0.001 0.000 0.288 335 G HA3 -0.299 3.661 3.960 0.001 0.000 0.288 335 G C -0.741 174.231 174.900 0.120 0.000 1.247 335 G CA 0.166 45.370 45.100 0.173 0.000 0.972 335 G HN 0.860 nan 8.290 nan 0.000 0.557 336 Q N -1.123 118.752 119.800 0.125 0.000 2.285 336 Q HA 0.637 4.977 4.340 0.001 0.000 0.269 336 Q C -0.928 175.147 176.000 0.126 0.000 1.030 336 Q CA -0.988 54.868 55.803 0.088 0.000 0.788 336 Q CB 1.716 30.486 28.738 0.053 0.000 1.266 336 Q HN 0.887 nan 8.270 nan 0.000 0.438 337 L N 3.623 124.910 121.223 0.106 0.000 2.371 337 L HA 0.810 5.151 4.340 0.001 0.000 0.272 337 L C 0.308 177.251 176.870 0.122 0.000 1.124 337 L CA 1.750 56.680 54.840 0.150 0.000 0.816 337 L CB 1.080 43.203 42.059 0.106 0.000 1.129 337 L HN 0.845 nan 8.230 nan 0.000 0.448 338 G N 3.558 112.480 108.800 0.203 0.000 2.685 338 G HA2 -0.200 3.760 3.960 0.001 0.000 0.387 338 G HA3 -0.200 3.760 3.960 0.001 0.000 0.387 338 G C -0.620 174.136 174.900 -0.241 0.000 1.324 338 G CA -0.211 44.953 45.100 0.107 0.000 0.878 338 G HN 0.924 nan 8.290 nan 0.000 0.527 339 R N 0.747 120.895 120.500 -0.586 0.000 2.489 339 R HA 0.400 4.741 4.340 0.001 0.000 0.287 339 R C -1.940 173.895 176.300 -0.776 0.000 1.053 339 R CA -0.818 54.490 56.100 -1.319 0.000 1.036 339 R CB 0.009 29.821 30.300 -0.814 0.000 0.966 339 R HN 0.335 nan 8.270 nan 0.000 0.432 340 P HA -0.133 nan 4.420 nan 0.000 0.261 340 P C -1.280 175.858 177.300 -0.270 0.000 1.165 340 P CA 0.753 63.604 63.100 -0.415 0.000 0.759 340 P CB 0.274 31.757 31.700 -0.361 0.000 0.772 341 N N 3.702 122.301 118.700 -0.168 0.000 2.640 341 N HA 0.208 4.948 4.740 0.001 0.000 0.262 341 N C -2.077 173.390 175.510 -0.072 0.000 1.174 341 N CA -1.806 51.175 53.050 -0.115 0.000 0.791 341 N CB 1.159 39.585 38.487 -0.102 0.000 1.279 341 N HN 0.066 nan 8.380 nan 0.000 0.535 342 P HA 0.004 nan 4.420 nan 0.000 0.226 342 P C 1.023 178.306 177.300 -0.027 0.000 1.153 342 P CA 0.532 63.609 63.100 -0.039 0.000 0.777 342 P CB 0.259 31.936 31.700 -0.038 0.000 0.794 343 A N -0.468 122.333 122.820 -0.032 0.000 2.015 343 A HA -0.092 4.229 4.320 0.001 0.000 0.219 343 A C 1.233 178.805 177.584 -0.020 0.000 1.163 343 A CA 1.008 53.031 52.037 -0.024 0.000 0.646 343 A CB -0.780 18.204 19.000 -0.027 0.000 0.806 343 A HN 0.232 nan 8.150 nan 0.000 0.448 344 N N 1.031 119.717 118.700 -0.024 0.000 2.904 344 N HA 0.225 4.966 4.740 0.001 0.000 0.257 344 N C -3.066 172.437 175.510 -0.012 0.000 1.363 344 N CA -1.216 51.824 53.050 -0.017 0.000 0.856 344 N CB 1.332 39.807 38.487 -0.021 0.000 1.166 344 N HN 0.246 nan 8.380 nan 0.000 0.499 345 P HA 0.150 nan 4.420 nan 0.000 0.269 345 P C -2.523 174.786 177.300 0.015 0.000 1.209 345 P CA -0.764 62.340 63.100 0.007 0.000 0.776 345 P CB 0.016 31.723 31.700 0.012 0.000 0.876 346 P HA 0.106 nan 4.420 nan 0.000 0.271 346 P C 0.954 178.275 177.300 0.036 0.000 1.218 346 P CA -0.059 63.063 63.100 0.036 0.000 0.780 346 P CB 0.951 32.689 31.700 0.063 0.000 0.901 347 E N 1.291 121.505 120.200 0.024 0.000 2.051 347 E HA -0.101 4.249 4.350 0.001 0.000 0.192 347 E C -0.014 176.615 176.600 0.048 0.000 0.991 347 E CA 0.930 57.343 56.400 0.021 0.000 0.799 347 E CB 0.017 29.715 29.700 -0.004 0.000 0.748 347 E HN 0.399 nan 8.360 nan 0.000 0.449 348 L N 0.782 122.047 121.223 0.069 0.000 2.365 348 L HA 0.305 4.645 4.340 0.001 0.000 0.273 348 L C -0.149 176.847 176.870 0.210 0.000 1.000 348 L CA -0.898 54.028 54.840 0.144 0.000 0.819 348 L CB 1.901 44.020 42.059 0.100 0.000 1.284 348 L HN 0.136 nan 8.230 nan 0.000 0.418 349 L N 3.140 124.509 121.223 0.243 0.000 3.823 349 L HA -0.183 4.157 4.340 0.001 0.000 0.525 349 L C -1.449 175.531 176.870 0.182 0.000 1.247 349 L CA -0.503 54.476 54.840 0.233 0.000 0.776 349 L CB -0.898 41.328 42.059 0.279 0.000 1.443 349 L HN 0.592 nan 8.230 nan 0.000 0.831 350 P HA -0.130 nan 4.420 nan 0.000 0.221 350 P C 1.235 178.629 177.300 0.158 0.000 1.145 350 P CA 1.193 64.369 63.100 0.127 0.000 0.795 350 P CB 0.269 32.026 31.700 0.096 0.000 0.775 351 S N -0.574 115.239 115.700 0.188 0.000 2.593 351 S HA 0.055 4.525 4.470 0.001 0.000 0.217 351 S C 0.844 175.599 174.600 0.259 0.000 0.966 351 S CA -0.390 57.968 58.200 0.263 0.000 0.914 351 S CB -0.734 62.625 63.200 0.265 0.000 0.776 351 S HN 0.062 nan 8.310 nan 0.000 0.523 352 L N 2.523 123.876 121.223 0.217 0.000 2.559 352 L HA 0.389 4.729 4.340 0.001 0.000 0.274 352 L C 1.189 178.197 176.870 0.229 0.000 1.205 352 L CA 1.066 56.036 54.840 0.217 0.000 0.907 352 L CB -0.464 41.711 42.059 0.193 0.000 1.153 352 L HN 0.353 nan 8.230 nan 0.000 0.490 353 G N 2.502 111.447 108.800 0.242 0.000 2.168 353 G HA2 -0.281 3.679 3.960 0.001 0.000 0.263 353 G HA3 -0.281 3.679 3.960 0.001 0.000 0.263 353 G C 0.438 175.459 174.900 0.202 0.000 0.977 353 G CA 0.474 45.715 45.100 0.235 0.000 0.659 353 G HN 0.832 nan 8.290 nan 0.000 0.533 354 S N -1.667 114.156 115.700 0.205 0.000 2.747 354 S HA 0.654 5.125 4.470 0.001 0.000 0.300 354 S C 0.410 175.145 174.600 0.224 0.000 1.121 354 S CA 0.052 58.309 58.200 0.096 0.000 0.995 354 S CB 0.872 64.033 63.200 -0.066 0.000 1.113 354 S HN 0.889 nan 8.310 nan 0.000 0.547 355 Y N -0.900 119.465 120.300 0.108 0.000 4.177 355 Y HA -0.201 4.350 4.550 0.001 0.000 0.227 355 Y C 0.514 176.491 175.900 0.129 0.000 1.154 355 Y CA 0.206 58.367 58.100 0.102 0.000 1.887 355 Y CB -2.056 36.461 38.460 0.095 0.000 1.594 355 Y HN 0.604 nan 8.280 nan 0.000 0.668 356 I N 0.034 120.750 120.570 0.242 0.000 2.634 356 I HA 0.463 4.634 4.170 0.001 0.000 0.284 356 I C 0.640 176.923 176.117 0.276 0.000 1.124 356 I CA 0.446 61.893 61.300 0.246 0.000 1.417 356 I CB 1.293 39.441 38.000 0.246 0.000 1.396 356 I HN 0.200 nan 8.210 nan 0.000 0.571 357 T N 1.977 116.656 114.554 0.209 0.000 2.876 357 T HA 0.670 5.020 4.350 0.001 0.000 0.289 357 T C -0.651 174.082 174.700 0.054 0.000 1.014 357 T CA -0.692 61.515 62.100 0.179 0.000 0.986 357 T CB 2.079 70.991 68.868 0.073 0.000 1.021 357 T HN 0.808 nan 8.240 nan 0.000 0.458 358 E N 1.188 121.403 120.200 0.026 0.000 2.314 358 E HA 0.358 4.709 4.350 0.001 0.000 0.272 358 E C -1.067 175.662 176.600 0.215 0.000 0.884 358 E CA -0.585 55.799 56.400 -0.027 0.000 0.753 358 E CB 2.055 31.533 29.700 -0.371 0.000 1.213 358 E HN 0.710 nan 8.360 nan 0.000 0.432 359 Q N 1.105 121.039 119.800 0.223 0.000 2.327 359 Q HA 0.411 4.752 4.340 0.001 0.000 0.254 359 Q C -0.411 175.794 176.000 0.341 0.000 0.952 359 Q CA -0.230 55.753 55.803 0.300 0.000 0.884 359 Q CB 1.135 30.096 28.738 0.372 0.000 1.224 359 Q HN 0.455 nan 8.270 nan 0.000 0.422 360 S N 1.642 117.449 115.700 0.178 0.000 2.564 360 S HA 0.329 4.799 4.470 0.001 0.000 0.278 360 S C -0.667 173.989 174.600 0.094 0.000 1.333 360 S CA -0.482 57.684 58.200 -0.057 0.000 1.048 360 S CB 0.405 63.460 63.200 -0.240 0.000 0.900 360 S HN 0.387 nan 8.310 nan 0.000 0.505 361 L N 4.405 125.660 121.223 0.054 0.000 2.409 361 L HA 0.705 5.045 4.340 0.001 0.000 0.272 361 L C -0.758 175.993 176.870 -0.197 0.000 0.980 361 L CA -0.668 54.105 54.840 -0.112 0.000 0.826 361 L CB 1.624 43.589 42.059 -0.157 0.000 1.268 361 L HN 0.483 nan 8.230 nan 0.000 0.407 362 V N 2.060 121.770 119.914 -0.339 0.000 2.769 362 V HA 0.760 4.881 4.120 0.001 0.000 0.312 362 V C -0.930 175.030 176.094 -0.224 0.000 1.058 362 V CA -0.671 61.342 62.300 -0.479 0.000 0.952 362 V CB 1.658 33.020 31.823 -0.767 0.000 1.019 362 V HN 0.830 nan 8.190 nan 0.000 0.445 363 F N 4.181 123.916 119.950 -0.359 0.000 2.608 363 F HA 0.846 5.373 4.527 0.001 0.000 0.309 363 F C -0.429 175.239 175.800 -0.220 0.000 1.103 363 F CA -0.140 57.732 58.000 -0.214 0.000 0.954 363 F CB 1.459 40.378 39.000 -0.135 0.000 1.267 363 F HN 1.212 nan 8.300 nan 0.000 0.444 364 C N 2.669 121.277 119.300 -1.153 0.000 3.314 364 C HA 0.805 5.265 4.460 0.001 0.000 0.344 364 C C -1.739 172.631 174.990 -1.033 0.000 1.461 364 C CA -0.671 57.655 59.018 -1.154 0.000 1.249 364 C CB 1.724 29.072 27.740 -0.655 0.000 1.632 364 C HN 0.975 nan 8.230 nan 0.000 0.452 365 Q N 0.534 120.002 119.800 -0.554 0.000 2.413 365 Q HA 0.757 5.097 4.340 0.001 0.000 0.276 365 Q C -0.582 175.424 176.000 0.009 0.000 1.099 365 Q CA -0.227 55.479 55.803 -0.161 0.000 0.814 365 Q CB 2.738 31.374 28.738 -0.170 0.000 1.379 365 Q HN 0.941 nan 8.270 nan 0.000 0.436 366 T N -2.555 112.079 114.554 0.133 0.000 2.930 366 T HA 0.698 5.049 4.350 0.001 0.000 0.290 366 T C -0.530 174.210 174.700 0.066 0.000 1.052 366 T CA -0.723 61.425 62.100 0.081 0.000 1.017 366 T CB 1.262 70.186 68.868 0.093 0.000 1.137 366 T HN 0.258 nan 8.240 nan 0.000 0.511 367 V N 2.533 122.456 119.914 0.015 0.000 2.357 367 V HA 0.389 4.510 4.120 0.001 0.000 0.284 367 V C 0.273 176.366 176.094 -0.002 0.000 1.018 367 V CA -0.892 61.409 62.300 0.002 0.000 0.841 367 V CB 1.064 32.879 31.823 -0.014 0.000 0.991 367 V HN 1.006 nan 8.190 nan 0.000 0.437 368 M N 4.824 124.432 119.600 0.012 0.000 2.248 368 M HA 0.073 4.553 4.480 0.001 0.000 0.343 368 M C 0.908 177.206 176.300 -0.003 0.000 1.243 368 M CA 0.739 56.049 55.300 0.017 0.000 1.025 368 M CB 0.577 33.187 32.600 0.016 0.000 1.759 368 M HN 0.924 nan 8.290 nan 0.000 0.452 369 S N 2.457 118.154 115.700 -0.006 0.000 2.573 369 S HA 0.077 4.547 4.470 0.001 0.000 0.277 369 S C 1.035 175.630 174.600 -0.007 0.000 1.346 369 S CA -0.133 58.056 58.200 -0.019 0.000 1.034 369 S CB 0.494 63.678 63.200 -0.026 0.000 0.879 369 S HN 0.801 nan 8.310 nan 0.000 0.528 370 T N 1.888 116.434 114.554 -0.012 0.000 2.699 370 T HA -0.156 4.195 4.350 0.001 0.000 0.268 370 T C 1.636 176.338 174.700 0.004 0.000 1.036 370 T CA 1.957 64.055 62.100 -0.004 0.000 1.147 370 T CB -0.511 68.352 68.868 -0.008 0.000 0.862 370 T HN 0.768 nan 8.240 nan 0.000 0.446 371 E N 0.608 120.807 120.200 -0.002 0.000 2.051 371 E HA -0.072 4.279 4.350 0.001 0.000 0.192 371 E C 2.307 178.919 176.600 0.020 0.000 0.991 371 E CA 0.891 57.293 56.400 0.003 0.000 0.799 371 E CB -0.298 29.398 29.700 -0.008 0.000 0.748 371 E HN 0.424 nan 8.360 nan 0.000 0.449 372 L N 0.807 122.044 121.223 0.023 0.000 2.046 372 L HA -0.200 4.140 4.340 0.001 0.000 0.208 372 L C 2.453 179.358 176.870 0.058 0.000 1.077 372 L CA 0.553 55.421 54.840 0.046 0.000 0.747 372 L CB -0.305 41.781 42.059 0.045 0.000 0.896 372 L HN 0.196 nan 8.230 nan 0.000 0.432 373 I N 0.012 120.604 120.570 0.036 0.000 2.163 373 I HA -0.309 3.861 4.170 0.001 0.000 0.243 373 I C 2.183 178.329 176.117 0.048 0.000 1.085 373 I CA 1.603 62.923 61.300 0.032 0.000 1.347 373 I CB -1.207 36.801 38.000 0.013 0.000 1.044 373 I HN 0.294 nan 8.210 nan 0.000 0.408 374 D N 0.717 121.143 120.400 0.043 0.000 2.182 374 D HA -0.141 4.500 4.640 0.001 0.000 0.201 374 D C 2.372 178.715 176.300 0.073 0.000 0.986 374 D CA 1.647 55.676 54.000 0.049 0.000 0.847 374 D CB -0.122 40.698 40.800 0.033 0.000 0.942 374 D HN 0.400 nan 8.370 nan 0.000 0.467 375 S N -0.025 115.727 115.700 0.086 0.000 2.399 375 S HA -0.122 4.348 4.470 0.001 0.000 0.231 375 S C 2.184 176.930 174.600 0.243 0.000 1.022 375 S CA 0.831 59.112 58.200 0.134 0.000 0.983 375 S CB -0.563 62.707 63.200 0.117 0.000 0.803 375 S HN 0.094 nan 8.310 nan 0.000 0.480 376 V N 3.107 123.145 119.914 0.206 0.000 2.380 376 V HA -0.190 3.930 4.120 0.001 0.000 0.251 376 V C 2.196 178.426 176.094 0.228 0.000 1.063 376 V CA 2.210 64.662 62.300 0.253 0.000 1.055 376 V CB -0.903 30.989 31.823 0.115 0.000 0.657 376 V HN 0.831 nan 8.190 nan 0.000 0.455 377 K N 0.464 120.953 120.400 0.149 0.000 2.493 377 K HA 0.183 4.504 4.320 0.001 0.000 0.207 377 K C 1.526 178.187 176.600 0.101 0.000 1.033 377 K CA 0.661 57.017 56.287 0.115 0.000 1.161 377 K CB 0.167 32.718 32.500 0.086 0.000 0.873 377 K HN 0.430 nan 8.250 nan 0.000 0.491 378 S N 0.565 116.341 115.700 0.127 0.000 2.442 378 S HA -0.140 4.330 4.470 0.001 0.000 0.236 378 S C 0.887 175.502 174.600 0.026 0.000 1.007 378 S CA 1.097 59.333 58.200 0.060 0.000 0.965 378 S CB -0.194 63.018 63.200 0.020 0.000 0.773 378 S HN 0.311 nan 8.310 nan 0.000 0.504 379 D N 0.685 121.112 120.400 0.045 0.000 2.349 379 D HA 0.247 4.887 4.640 0.001 0.000 0.214 379 D C 0.022 176.364 176.300 0.069 0.000 1.063 379 D CA 0.226 54.240 54.000 0.023 0.000 0.847 379 D CB 0.039 40.831 40.800 -0.013 0.000 0.933 379 D HN 0.364 nan 8.370 nan 0.000 0.513 380 M N 0.492 120.132 119.600 0.066 0.000 2.233 380 M HA 0.240 4.720 4.480 0.001 0.000 0.355 380 M C 0.228 176.559 176.300 0.051 0.000 1.191 380 M CA -0.052 55.296 55.300 0.080 0.000 1.101 380 M CB 1.208 33.847 32.600 0.064 0.000 1.592 380 M HN -0.333 nan 8.290 nan 0.000 0.461 381 T N 4.461 119.040 114.554 0.043 0.000 2.767 381 T HA 0.688 5.039 4.350 0.001 0.000 0.284 381 T C -0.008 174.675 174.700 -0.028 0.000 0.973 381 T CA -0.336 61.769 62.100 0.008 0.000 0.996 381 T CB 0.657 69.526 68.868 0.002 0.000 0.927 381 T HN 0.435 nan 8.240 nan 0.000 0.456 382 I N 3.615 124.166 120.570 -0.031 0.000 2.389 382 I HA 0.475 4.645 4.170 0.001 0.000 0.288 382 I C 0.255 176.340 176.117 -0.055 0.000 0.999 382 I CA -0.653 60.602 61.300 -0.075 0.000 1.129 382 I CB 1.385 39.382 38.000 -0.005 0.000 1.288 382 I HN 0.287 nan 8.210 nan 0.000 0.444 383 R N 4.112 124.541 120.500 -0.118 0.000 2.621 383 R HA 0.771 5.111 4.340 0.001 0.000 0.292 383 R C -0.053 176.251 176.300 0.006 0.000 0.969 383 R CA -0.577 55.496 56.100 -0.045 0.000 0.887 383 R CB 2.217 32.484 30.300 -0.055 0.000 1.180 383 R HN 0.886 nan 8.270 nan 0.000 0.450 384 G N 0.840 109.696 108.800 0.094 0.000 2.548 384 G HA2 -0.234 3.727 3.960 0.001 0.000 0.208 384 G HA3 -0.234 3.727 3.960 0.001 0.000 0.208 384 G C -0.780 174.274 174.900 0.257 0.000 1.308 384 G CA -0.318 44.882 45.100 0.166 0.000 0.924 384 G HN 0.734 nan 8.290 nan 0.000 0.540 385 T N -0.968 113.719 114.554 0.221 0.000 2.881 385 T HA 0.724 5.075 4.350 0.001 0.000 0.290 385 T C -2.875 171.744 174.700 -0.136 0.000 1.000 385 T CA -1.244 60.902 62.100 0.077 0.000 0.978 385 T CB 2.586 71.467 68.868 0.021 0.000 0.997 385 T HN 0.525 nan 8.240 nan 0.000 0.443 386 P HA 0.258 nan 4.420 nan 0.000 0.266 386 P C 1.293 178.372 177.300 -0.369 0.000 1.193 386 P CA 1.407 63.965 63.100 -0.902 0.000 0.770 386 P CB 0.131 31.418 31.700 -0.687 0.000 0.836 387 G N 0.355 108.987 108.800 -0.280 0.000 2.212 387 G HA2 -0.218 3.743 3.960 0.001 0.000 0.266 387 G HA3 -0.218 3.743 3.960 0.001 0.000 0.266 387 G C 0.238 175.105 174.900 -0.056 0.000 0.978 387 G CA 0.024 45.052 45.100 -0.120 0.000 0.632 387 G HN 0.535 nan 8.290 nan 0.000 0.537 388 E N -0.448 119.729 120.200 -0.038 0.000 2.280 388 E HA 0.573 4.923 4.350 0.001 0.000 0.261 388 E C 1.722 178.357 176.600 0.058 0.000 1.088 388 E CA -0.724 55.685 56.400 0.015 0.000 0.915 388 E CB 0.633 30.349 29.700 0.027 0.000 1.141 388 E HN 0.159 nan 8.360 nan 0.000 0.433 389 L N 0.269 121.520 121.223 0.048 0.000 2.240 389 L HA -0.097 4.244 4.340 0.001 0.000 0.211 389 L C 2.044 178.953 176.870 0.065 0.000 1.106 389 L CA 1.394 56.263 54.840 0.049 0.000 0.793 389 L CB -0.435 41.641 42.059 0.029 0.000 0.927 389 L HN 0.548 nan 8.230 nan 0.000 0.446 390 T N -4.214 110.384 114.554 0.073 0.000 3.148 390 T HA -0.103 4.247 4.350 0.001 0.000 0.253 390 T C 0.582 175.347 174.700 0.108 0.000 1.134 390 T CA -0.212 61.930 62.100 0.069 0.000 1.051 390 T CB -0.451 68.451 68.868 0.056 0.000 0.959 390 T HN 0.066 nan 8.240 nan 0.000 0.525 391 Y N 3.077 123.377 120.300 -0.000 0.000 2.632 391 Y HA 0.394 4.945 4.550 0.001 0.000 0.329 391 Y C 0.292 176.194 175.900 0.003 0.000 1.174 391 Y CA -0.643 57.458 58.100 0.001 0.000 1.469 391 Y CB 0.231 38.690 38.460 -0.002 0.000 1.242 391 Y HN 0.225 nan 8.280 nan 0.000 0.540 392 S N 5.344 120.784 115.700 -0.435 0.000 2.571 392 S HA 0.743 5.213 4.470 0.001 0.000 0.284 392 S C -1.971 172.349 174.600 -0.468 0.000 1.128 392 S CA -0.702 57.290 58.200 -0.348 0.000 0.970 392 S CB 0.835 63.944 63.200 -0.153 0.000 1.039 392 S HN 0.438 nan 8.310 nan 0.000 0.485 393 V N 4.570 124.282 119.914 -0.338 0.000 2.444 393 V HA 0.758 4.878 4.120 0.001 0.000 0.294 393 V C 0.025 176.090 176.094 -0.049 0.000 1.022 393 V CA -0.408 61.770 62.300 -0.204 0.000 0.850 393 V CB 1.340 33.063 31.823 -0.166 0.000 0.992 393 V HN 1.059 nan 8.190 nan 0.000 0.426 394 T N 1.709 116.265 114.554 0.002 0.000 2.883 394 T HA 0.870 5.220 4.350 0.001 0.000 0.301 394 T C -1.087 173.704 174.700 0.150 0.000 1.158 394 T CA -0.765 61.361 62.100 0.043 0.000 1.007 394 T CB 2.341 71.183 68.868 -0.043 0.000 1.186 394 T HN 0.843 nan 8.240 nan 0.000 0.499 395 Y N -1.791 118.502 120.300 -0.013 0.000 2.615 395 Y HA 0.777 5.328 4.550 0.001 0.000 0.341 395 Y C -0.898 174.997 175.900 -0.008 0.000 1.089 395 Y CA -1.348 56.747 58.100 -0.008 0.000 1.049 395 Y CB 0.859 39.322 38.460 0.005 0.000 1.296 395 Y HN 0.650 nan 8.280 nan 0.000 0.470 396 T N 4.344 118.889 114.554 -0.015 0.000 2.781 396 T HA 0.404 4.754 4.350 0.001 0.000 0.305 396 T C -2.772 171.934 174.700 0.011 0.000 1.001 396 T CA -1.340 60.705 62.100 -0.091 0.000 0.950 396 T CB 0.603 69.455 68.868 -0.026 0.000 0.955 396 T HN 0.364 nan 8.240 nan 0.000 0.471 397 P HA 0.231 nan 4.420 nan 0.000 0.269 397 P C 1.218 178.557 177.300 0.066 0.000 1.209 397 P CA 0.561 63.725 63.100 0.107 0.000 0.776 397 P CB 0.371 32.097 31.700 0.044 0.000 0.876 398 G N 1.131 109.981 108.800 0.084 0.000 2.257 398 G HA2 -0.291 3.669 3.960 0.001 0.000 0.267 398 G HA3 -0.291 3.669 3.960 0.001 0.000 0.267 398 G C 0.525 175.438 174.900 0.021 0.000 0.984 398 G CA 0.215 45.340 45.100 0.043 0.000 0.626 398 G HN 0.894 nan 8.290 nan 0.000 0.540 399 A N 0.680 123.514 122.820 0.024 0.000 2.584 399 A HA 0.505 4.826 4.320 0.001 0.000 0.239 399 A C 1.758 179.334 177.584 -0.013 0.000 1.043 399 A CA 1.505 53.545 52.037 0.004 0.000 0.756 399 A CB 0.128 19.134 19.000 0.009 0.000 0.963 399 A HN 1.817 nan 8.150 nan 0.000 0.511 400 S N 1.411 117.098 115.700 -0.020 0.000 2.515 400 S HA -0.110 4.360 4.470 0.001 0.000 0.231 400 S C 1.337 175.907 174.600 -0.049 0.000 0.987 400 S CA 1.196 59.377 58.200 -0.033 0.000 0.936 400 S CB -0.694 62.490 63.200 -0.026 0.000 0.766 400 S HN 1.165 nan 8.310 nan 0.000 0.528 401 T N -0.901 113.625 114.554 -0.046 0.000 3.148 401 T HA 0.183 4.533 4.350 0.001 0.000 0.253 401 T C 0.362 175.011 174.700 -0.086 0.000 1.134 401 T CA -0.375 61.690 62.100 -0.059 0.000 1.051 401 T CB -0.584 68.258 68.868 -0.043 0.000 0.959 401 T HN 0.193 nan 8.240 nan 0.000 0.525 402 N N 2.078 120.726 118.700 -0.087 0.000 2.475 402 N HA 0.281 5.022 4.740 0.001 0.000 0.267 402 N C 0.725 176.091 175.510 -0.240 0.000 1.169 402 N CA -0.139 52.833 53.050 -0.131 0.000 0.947 402 N CB 1.360 39.796 38.487 -0.084 0.000 1.061 402 N HN 0.164 nan 8.380 nan 0.000 0.466 403 K N 1.004 121.173 120.400 -0.385 0.000 2.366 403 K HA 0.067 4.388 4.320 0.001 0.000 0.198 403 K C -0.096 175.950 176.600 -0.924 0.000 1.044 403 K CA 0.934 56.842 56.287 -0.630 0.000 0.973 403 K CB 0.117 32.165 32.500 -0.753 0.000 0.767 403 K HN 0.557 nan 8.250 nan 0.000 0.475 404 H N -1.054 117.720 119.070 -0.493 0.000 2.797 404 H HA 0.317 4.874 4.556 0.001 0.000 0.372 404 H C -2.460 172.562 175.328 -0.510 0.000 1.168 404 H CA -2.610 52.988 56.048 -0.751 0.000 1.163 404 H CB 1.375 30.309 29.762 -1.380 0.000 1.778 404 H HN -0.129 nan 8.280 nan 0.000 0.551 405 P HA 0.056 nan 4.420 nan 0.000 0.277 405 P C 0.207 177.340 177.300 -0.278 0.000 1.271 405 P CA -0.280 62.651 63.100 -0.281 0.000 0.795 405 P CB 1.456 32.980 31.700 -0.294 0.000 1.101 406 D N -0.410 119.948 120.400 -0.071 0.000 2.144 406 D HA -0.113 4.528 4.640 0.001 0.000 0.199 406 D C 1.887 178.228 176.300 0.069 0.000 0.984 406 D CA 1.282 55.320 54.000 0.062 0.000 0.834 406 D CB -0.491 40.424 40.800 0.190 0.000 0.955 406 D HN 0.590 nan 8.370 nan 0.000 0.465 407 W N 0.032 121.411 121.300 0.130 0.000 2.402 407 W HA -0.113 4.548 4.660 0.001 0.000 0.286 407 W C 1.922 178.515 176.519 0.123 0.000 1.221 407 W CA 0.053 57.467 57.345 0.114 0.000 1.257 407 W CB -1.306 28.214 29.460 0.100 0.000 1.120 407 W HN 0.045 nan 8.180 nan 0.000 0.551 408 W N 3.506 124.351 121.300 -0.760 0.000 2.378 408 W HA -0.160 4.501 4.660 0.001 0.000 0.313 408 W C 1.831 178.087 176.519 -0.439 0.000 1.197 408 W CA 1.676 58.559 57.345 -0.770 0.000 1.304 408 W CB -1.008 27.767 29.460 -1.141 0.000 1.148 408 W HN -0.119 nan 8.180 nan 0.000 0.494 409 N N 0.984 119.613 118.700 -0.117 0.000 2.289 409 N HA -0.188 4.552 4.740 0.001 0.000 0.184 409 N C 1.477 176.701 175.510 -0.476 0.000 1.016 409 N CA 1.772 54.549 53.050 -0.456 0.000 0.872 409 N CB -0.529 37.274 38.487 -1.139 0.000 0.973 409 N HN 0.252 nan 8.380 nan 0.000 0.433 410 E N 1.378 121.466 120.200 -0.187 0.000 2.072 410 E HA -0.038 4.312 4.350 0.001 0.000 0.191 410 E C 1.572 178.223 176.600 0.084 0.000 0.985 410 E CA 1.235 57.694 56.400 0.097 0.000 0.801 410 E CB 0.090 29.921 29.700 0.219 0.000 0.750 410 E HN 0.239 nan 8.360 nan 0.000 0.452 411 K N -0.547 119.884 120.400 0.051 0.000 2.097 411 K HA -0.059 4.262 4.320 0.001 0.000 0.205 411 K C 2.071 178.673 176.600 0.003 0.000 1.050 411 K CA 1.227 57.534 56.287 0.034 0.000 0.938 411 K CB -0.033 32.469 32.500 0.003 0.000 0.718 411 K HN 0.009 nan 8.250 nan 0.000 0.442 412 V N 1.967 121.847 119.914 -0.057 0.000 2.307 412 V HA -0.259 3.861 4.120 0.001 0.000 0.245 412 V C 2.372 178.504 176.094 0.062 0.000 1.045 412 V CA 1.651 63.937 62.300 -0.024 0.000 1.024 412 V CB -0.415 31.383 31.823 -0.042 0.000 0.651 412 V HN 0.337 nan 8.190 nan 0.000 0.449 413 K N 0.342 120.776 120.400 0.056 0.000 2.020 413 K HA -0.269 4.051 4.320 0.001 0.000 0.212 413 K C 2.018 178.684 176.600 0.109 0.000 1.050 413 K CA 2.191 58.546 56.287 0.112 0.000 0.929 413 K CB -0.270 32.365 32.500 0.224 0.000 0.714 413 K HN 0.423 nan 8.250 nan 0.000 0.443 414 N N 0.230 119.002 118.700 0.121 0.000 2.166 414 N HA -0.175 4.565 4.740 0.001 0.000 0.186 414 N C 1.768 177.363 175.510 0.141 0.000 1.019 414 N CA 1.385 54.507 53.050 0.119 0.000 0.856 414 N CB -0.614 37.948 38.487 0.125 0.000 0.993 414 N HN 0.438 nan 8.380 nan 0.000 0.426 415 H N 0.592 119.702 119.070 0.066 0.000 2.321 415 H HA 0.108 4.664 4.556 0.001 0.000 0.300 415 H C 2.029 177.422 175.328 0.107 0.000 1.087 415 H CA 1.689 57.778 56.048 0.068 0.000 1.319 415 H CB -0.093 29.601 29.762 -0.114 0.000 1.379 415 H HN 0.095 nan 8.280 nan 0.000 0.501 416 M N -0.953 118.633 119.600 -0.024 0.000 2.229 416 M HA -0.130 4.350 4.480 0.001 0.000 0.264 416 M C 1.922 178.278 176.300 0.094 0.000 1.063 416 M CA 1.047 56.347 55.300 0.000 0.000 1.114 416 M CB 0.007 32.675 32.600 0.113 0.000 1.387 416 M HN 0.341 nan 8.290 nan 0.000 0.420 417 M N -0.024 119.621 119.600 0.074 0.000 2.236 417 M HA -0.109 4.371 4.480 0.001 0.000 0.266 417 M C 1.835 178.153 176.300 0.030 0.000 1.070 417 M CA 1.807 57.160 55.300 0.089 0.000 1.137 417 M CB -0.699 31.928 32.600 0.045 0.000 1.378 417 M HN 0.292 nan 8.290 nan 0.000 0.426 418 Q N -1.266 118.506 119.800 -0.047 0.000 2.398 418 Q HA -0.019 4.321 4.340 0.001 0.000 0.204 418 Q C -0.064 175.634 176.000 -0.504 0.000 0.932 418 Q CA 0.648 56.315 55.803 -0.227 0.000 0.916 418 Q CB 0.399 29.008 28.738 -0.215 0.000 1.024 418 Q HN 0.518 nan 8.270 nan 0.000 0.504 419 H N 0.227 119.236 119.070 -0.102 0.000 2.380 419 H HA 0.190 4.746 4.556 0.001 0.000 0.231 419 H C 0.010 175.262 175.328 -0.126 0.000 1.415 419 H CA -0.074 55.916 56.048 -0.096 0.000 1.433 419 H CB 0.589 30.278 29.762 -0.121 0.000 1.544 419 H HN 0.258 nan 8.280 nan 0.000 0.503 420 Q N 0.667 120.450 119.800 -0.029 0.000 2.435 420 Q HA -0.097 4.244 4.340 0.001 0.000 0.207 420 Q C 1.835 177.773 176.000 -0.102 0.000 0.956 420 Q CA 0.631 56.368 55.803 -0.110 0.000 0.917 420 Q CB 0.445 29.063 28.738 -0.201 0.000 0.997 420 Q HN 0.535 nan 8.270 nan 0.000 0.497 421 E N 1.385 121.575 120.200 -0.017 0.000 2.347 421 E HA -0.130 4.220 4.350 0.001 0.000 0.196 421 E C -0.230 176.397 176.600 0.045 0.000 1.008 421 E CA 0.658 57.064 56.400 0.010 0.000 0.852 421 E CB -0.032 29.697 29.700 0.048 0.000 0.783 421 E HN 0.169 nan 8.360 nan 0.000 0.505 422 D N 1.856 122.300 120.400 0.073 0.000 2.225 422 D HA 0.126 4.767 4.640 0.001 0.000 0.248 422 D C -1.630 174.713 176.300 0.071 0.000 1.096 422 D CA -2.159 51.913 54.000 0.121 0.000 0.863 422 D CB 1.618 42.527 40.800 0.181 0.000 1.156 422 D HN -0.159 nan 8.370 nan 0.000 0.450 423 P HA 0.112 nan 4.420 nan 0.000 0.249 423 P C -0.223 177.113 177.300 0.060 0.000 1.229 423 P CA 0.174 63.304 63.100 0.051 0.000 0.788 423 P CB 0.398 32.121 31.700 0.039 0.000 1.072 424 L N 1.646 122.917 121.223 0.081 0.000 2.334 424 L HA 0.382 4.722 4.340 0.001 0.000 0.272 424 L C -1.408 175.508 176.870 0.076 0.000 1.020 424 L CA -2.301 52.565 54.840 0.044 0.000 0.812 424 L CB 2.423 44.474 42.059 -0.013 0.000 1.264 424 L HN -0.307 nan 8.230 nan 0.000 0.439 425 P HA 0.095 nan 4.420 nan 0.000 0.255 425 P C 0.218 177.412 177.300 -0.176 0.000 1.248 425 P CA 0.516 63.634 63.100 0.030 0.000 0.807 425 P CB 0.436 32.147 31.700 0.018 0.000 1.150 426 I N 2.256 122.616 120.570 -0.350 0.000 2.371 426 I HA 0.214 4.385 4.170 0.001 0.000 0.290 426 I C -2.130 173.469 176.117 -0.864 0.000 1.028 426 I CA -2.745 58.270 61.300 -0.475 0.000 1.345 426 I CB 0.734 38.545 38.000 -0.316 0.000 1.407 426 I HN -0.239 nan 8.210 nan 0.000 0.501 427 P HA 0.007 nan 4.420 nan 0.000 0.267 427 P C 0.255 177.272 177.300 -0.471 0.000 1.200 427 P CA 0.023 62.717 63.100 -0.678 0.000 0.772 427 P CB 0.361 31.904 31.700 -0.262 0.000 0.855 428 F N 0.634 120.426 119.950 -0.263 0.000 2.216 428 F HA -0.103 4.424 4.527 0.001 0.000 0.300 428 F C 1.797 177.539 175.800 -0.096 0.000 1.085 428 F CA 1.546 59.449 58.000 -0.162 0.000 1.326 428 F CB -0.716 38.208 39.000 -0.127 0.000 1.027 428 F HN 0.390 nan 8.300 nan 0.000 0.497 429 E N -0.217 120.042 120.200 0.099 0.000 2.444 429 E HA -0.014 4.336 4.350 0.001 0.000 0.191 429 E C -0.213 176.398 176.600 0.019 0.000 1.041 429 E CA -0.172 56.266 56.400 0.064 0.000 0.883 429 E CB -0.226 29.516 29.700 0.071 0.000 1.024 429 E HN 0.226 nan 8.360 nan 0.000 0.470 430 D N 2.524 122.909 120.400 -0.025 0.000 2.450 430 D HA 0.027 4.667 4.640 0.001 0.000 0.247 430 D C -2.322 173.988 176.300 0.017 0.000 1.162 430 D CA -1.500 52.477 54.000 -0.038 0.000 0.879 430 D CB 0.821 41.556 40.800 -0.109 0.000 1.163 430 D HN -0.140 nan 8.370 nan 0.000 0.472 431 P HA 0.061 nan 4.420 nan 0.000 0.270 431 P C -0.373 177.028 177.300 0.168 0.000 1.223 431 P CA -0.331 62.861 63.100 0.153 0.000 0.785 431 P CB 0.360 32.176 31.700 0.192 0.000 0.923 432 E N 2.392 122.701 120.200 0.182 0.000 2.392 432 E HA 0.168 4.518 4.350 0.001 0.000 0.259 432 E C -2.470 174.156 176.600 0.042 0.000 1.108 432 E CA -1.800 54.642 56.400 0.070 0.000 0.916 432 E CB -0.887 28.820 29.700 0.010 0.000 0.989 432 E HN 0.221 nan 8.360 nan 0.000 0.432 433 P HA 0.101 nan 4.420 nan 0.000 0.274 433 P C -0.522 176.784 177.300 0.010 0.000 1.231 433 P CA -0.094 63.075 63.100 0.115 0.000 0.790 433 P CB 0.439 32.157 31.700 0.030 0.000 0.951 434 Q N 0.704 120.605 119.800 0.170 0.000 3.394 434 Q HA 0.294 4.635 4.340 0.001 0.000 0.285 434 Q C -1.064 175.026 176.000 0.151 0.000 0.866 434 Q CA -0.290 55.492 55.803 -0.034 0.000 0.844 434 Q CB 1.077 29.552 28.738 -0.438 0.000 1.472 434 Q HN 0.182 nan 8.270 nan 0.000 0.401 435 V N 0.526 120.487 119.914 0.079 0.000 2.547 435 V HA 0.721 4.842 4.120 0.001 0.000 0.299 435 V C 0.232 176.339 176.094 0.021 0.000 1.040 435 V CA -0.395 61.947 62.300 0.070 0.000 0.913 435 V CB 2.000 33.804 31.823 -0.030 0.000 0.992 435 V HN 0.404 nan 8.190 nan 0.000 0.449 436 T N 1.760 116.359 114.554 0.075 0.000 2.916 436 T HA 0.479 4.830 4.350 0.001 0.000 0.305 436 T C -0.880 173.772 174.700 -0.079 0.000 1.119 436 T CA -0.319 61.771 62.100 -0.017 0.000 1.008 436 T CB 1.811 70.657 68.868 -0.038 0.000 1.129 436 T HN 0.844 nan 8.240 nan 0.000 0.480 437 T N 4.836 119.196 114.554 -0.324 0.000 2.772 437 T HA 0.608 4.958 4.350 0.001 0.000 0.288 437 T C -0.115 174.445 174.700 -0.232 0.000 0.994 437 T CA -0.611 61.134 62.100 -0.592 0.000 0.951 437 T CB -0.142 67.917 68.868 -1.349 0.000 0.933 437 T HN 0.514 nan 8.240 nan 0.000 0.447 438 L N 4.494 125.659 121.223 -0.096 0.000 2.452 438 L HA 0.400 4.740 4.340 0.001 0.000 0.267 438 L C 0.735 177.617 176.870 0.021 0.000 1.188 438 L CA -0.951 53.916 54.840 0.044 0.000 0.821 438 L CB 0.197 42.282 42.059 0.044 0.000 1.102 438 L HN 0.625 nan 8.230 nan 0.000 0.470 439 F N 2.921 122.806 119.950 -0.108 0.000 2.537 439 F HA -0.120 4.407 4.527 0.001 0.000 0.402 439 F C 0.352 175.890 175.800 -0.437 0.000 1.005 439 F CA 0.766 58.605 58.000 -0.269 0.000 1.203 439 F CB 0.091 38.986 39.000 -0.174 0.000 0.955 439 F HN 0.413 nan 8.300 nan 0.000 0.547 440 Q N 6.498 125.801 119.800 -0.829 0.000 2.501 440 Q HA 0.269 4.610 4.340 0.001 0.000 0.288 440 Q C -1.961 173.622 176.000 -0.695 0.000 1.051 440 Q CA -1.768 53.646 55.803 -0.647 0.000 0.788 440 Q CB 1.296 29.525 28.738 -0.849 0.000 1.469 440 Q HN 0.230 nan 8.270 nan 0.000 0.416 441 P HA -0.212 nan 4.420 nan 0.000 0.216 441 P C 1.179 178.274 177.300 -0.341 0.000 1.154 441 P CA 2.290 65.231 63.100 -0.264 0.000 0.865 441 P CB 0.221 31.847 31.700 -0.123 0.000 0.789 442 S N -1.799 113.707 115.700 -0.324 0.000 2.527 442 S HA -0.091 4.380 4.470 0.001 0.000 0.222 442 S C 0.511 174.941 174.600 -0.283 0.000 0.985 442 S CA 0.198 58.280 58.200 -0.196 0.000 0.921 442 S CB -1.230 61.949 63.200 -0.036 0.000 0.772 442 S HN 0.436 nan 8.310 nan 0.000 0.529 443 H N -1.364 117.279 119.070 -0.712 0.000 2.562 443 H HA 0.465 5.021 4.556 0.001 0.000 0.230 443 H C -3.228 170.949 175.328 -1.917 0.000 1.415 443 H CA -1.752 53.483 56.048 -1.354 0.000 1.454 443 H CB 0.441 29.698 29.762 -0.841 0.000 1.716 443 H HN 0.069 nan 8.280 nan 0.000 0.538 444 P HA 0.084 nan 4.420 nan 0.000 0.220 444 P C -1.250 175.331 177.300 -1.199 0.000 1.806 444 P CA 0.197 62.152 63.100 -1.908 0.000 0.976 444 P CB -1.087 30.076 31.700 -0.894 0.000 1.952 445 W N -0.418 120.472 121.300 -0.683 0.000 3.167 445 W HA 0.521 5.181 4.660 0.001 0.000 0.324 445 W C -0.812 175.763 176.519 0.093 0.000 1.230 445 W CA -1.288 56.024 57.345 -0.055 0.000 1.184 445 W CB 0.101 29.581 29.460 0.034 0.000 1.414 445 W HN -0.008 nan 8.180 nan 0.000 0.551 446 H N 1.139 120.473 119.070 0.440 0.000 2.505 446 H HA 0.693 5.249 4.556 0.001 0.000 0.351 446 H C -0.174 175.297 175.328 0.239 0.000 1.151 446 H CA 0.471 56.684 56.048 0.275 0.000 1.339 446 H CB 1.476 31.364 29.762 0.210 0.000 1.483 446 H HN 0.572 nan 8.280 nan 0.000 0.558 447 T N 2.148 116.315 114.554 -0.644 0.000 2.893 447 T HA 0.476 4.826 4.350 0.001 0.000 0.293 447 T C -0.791 173.606 174.700 -0.505 0.000 1.027 447 T CA -1.121 60.643 62.100 -0.560 0.000 0.988 447 T CB 1.584 70.020 68.868 -0.719 0.000 1.043 447 T HN 0.675 nan 8.240 nan 0.000 0.461 448 Q N 1.998 121.700 119.800 -0.162 0.000 2.292 448 Q HA 0.565 4.905 4.340 0.001 0.000 0.270 448 Q C -1.136 174.760 176.000 -0.174 0.000 1.024 448 Q CA -0.638 55.004 55.803 -0.269 0.000 0.768 448 Q CB 2.555 31.025 28.738 -0.446 0.000 1.250 448 Q HN 0.713 nan 8.270 nan 0.000 0.447 449 I N 3.832 124.268 120.570 -0.222 0.000 2.495 449 I HA 0.366 4.536 4.170 0.001 0.000 0.277 449 I C -0.386 175.630 176.117 -0.168 0.000 1.045 449 I CA -0.283 60.785 61.300 -0.386 0.000 1.135 449 I CB 0.395 38.029 38.000 -0.609 0.000 1.241 449 I HN 0.769 nan 8.210 nan 0.000 0.469 450 H N 3.984 122.878 119.070 -0.293 0.000 3.150 450 H HA 0.648 5.204 4.556 0.001 0.000 0.270 450 H C -1.242 174.019 175.328 -0.111 0.000 1.573 450 H CA -1.317 54.629 56.048 -0.169 0.000 1.195 450 H CB 1.400 31.088 29.762 -0.124 0.000 1.874 450 H HN 0.117 nan 8.280 nan 0.000 0.691 451 R N 1.470 121.772 120.500 -0.329 0.000 2.538 451 R HA 0.255 4.596 4.340 0.001 0.000 0.292 451 R C -1.489 174.560 176.300 -0.418 0.000 1.008 451 R CA -0.568 55.330 56.100 -0.338 0.000 0.896 451 R CB 1.857 32.094 30.300 -0.105 0.000 1.187 451 R HN 0.918 nan 8.270 nan 0.000 0.440 452 D N 0.859 121.025 120.400 -0.390 0.000 2.497 452 D HA 0.456 5.096 4.640 0.001 0.000 0.243 452 D C -0.481 175.811 176.300 -0.015 0.000 1.039 452 D CA -0.726 53.157 54.000 -0.195 0.000 1.052 452 D CB 1.226 41.933 40.800 -0.155 0.000 1.344 452 D HN 0.369 nan 8.370 nan 0.000 0.553 453 A N -0.131 122.707 122.820 0.031 0.000 2.565 453 A HA 0.383 4.704 4.320 0.001 0.000 0.237 453 A C -0.794 176.864 177.584 0.124 0.000 1.053 453 A CA 0.148 52.249 52.037 0.107 0.000 0.755 453 A CB -0.628 18.465 19.000 0.156 0.000 0.980 453 A HN 0.475 nan 8.150 nan 0.000 0.506 454 F N 1.438 121.335 119.950 -0.088 0.000 2.619 454 F HA 0.491 5.018 4.527 0.001 0.000 0.308 454 F C 0.261 175.881 175.800 -0.300 0.000 1.097 454 F CA -0.229 57.601 58.000 -0.282 0.000 0.953 454 F CB 2.073 40.752 39.000 -0.535 0.000 1.287 454 F HN 0.536 nan 8.300 nan 0.000 0.446 455 S N 3.590 118.769 115.700 -0.867 0.000 2.835 455 S HA 0.387 4.858 4.470 0.001 0.000 0.286 455 S C -1.136 173.239 174.600 -0.374 0.000 1.194 455 S CA -0.454 57.459 58.200 -0.478 0.000 1.031 455 S CB -0.674 62.248 63.200 -0.462 0.000 1.216 455 S HN 0.453 nan 8.310 nan 0.000 0.502 456 Y N 2.342 122.765 120.300 0.204 0.000 2.465 456 Y HA 0.423 4.974 4.550 0.001 0.000 0.331 456 Y C 1.601 177.586 175.900 0.141 0.000 1.102 456 Y CA 0.301 58.584 58.100 0.305 0.000 1.358 456 Y CB 0.183 38.801 38.460 0.263 0.000 1.213 456 Y HN 0.812 nan 8.280 nan 0.000 0.525 457 G N 1.347 110.312 108.800 0.275 0.000 2.690 457 G HA2 0.206 4.166 3.960 0.001 0.000 0.239 457 G HA3 0.206 4.166 3.960 0.001 0.000 0.239 457 G C 0.898 175.897 174.900 0.164 0.000 1.233 457 G CA -0.033 45.166 45.100 0.167 0.000 0.847 457 G HN 0.911 nan 8.290 nan 0.000 0.588 458 A N 0.359 123.241 122.820 0.104 0.000 2.015 458 A HA 0.042 4.362 4.320 0.001 0.000 0.219 458 A C 2.427 180.056 177.584 0.075 0.000 1.163 458 A CA 1.798 53.885 52.037 0.082 0.000 0.646 458 A CB -0.258 18.776 19.000 0.056 0.000 0.806 458 A HN 0.545 nan 8.150 nan 0.000 0.448 459 V N -0.214 119.748 119.914 0.079 0.000 2.346 459 V HA -0.248 3.873 4.120 0.001 0.000 0.244 459 V C 2.508 178.645 176.094 0.072 0.000 1.037 459 V CA 1.808 64.147 62.300 0.065 0.000 1.029 459 V CB -1.005 30.855 31.823 0.061 0.000 0.663 459 V HN 0.602 nan 8.190 nan 0.000 0.454 460 Q N 0.181 120.051 119.800 0.116 0.000 2.096 460 Q HA -0.288 4.052 4.340 0.001 0.000 0.204 460 Q C 2.192 178.218 176.000 0.043 0.000 0.982 460 Q CA 1.719 57.599 55.803 0.129 0.000 0.850 460 Q CB -0.320 28.604 28.738 0.309 0.000 0.901 460 Q HN 0.691 nan 8.270 nan 0.000 0.422 461 Q N -0.006 119.837 119.800 0.071 0.000 2.508 461 Q HA -0.082 4.259 4.340 0.001 0.000 0.214 461 Q C 1.887 177.881 176.000 -0.010 0.000 0.979 461 Q CA 0.600 56.410 55.803 0.011 0.000 0.911 461 Q CB -0.059 28.718 28.738 0.065 0.000 0.969 461 Q HN 0.159 nan 8.270 nan 0.000 0.504 462 S N -0.079 115.624 115.700 0.005 0.000 2.453 462 S HA -0.012 4.459 4.470 0.001 0.000 0.231 462 S C 0.813 175.403 174.600 -0.017 0.000 1.005 462 S CA 0.168 58.369 58.200 0.001 0.000 0.949 462 S CB 0.269 63.477 63.200 0.014 0.000 0.774 462 S HN 0.160 nan 8.310 nan 0.000 0.510 463 I N 2.848 123.393 120.570 -0.041 0.000 2.365 463 I HA 0.225 4.396 4.170 0.001 0.000 0.291 463 I C 0.389 176.455 176.117 -0.085 0.000 1.004 463 I CA -0.755 60.512 61.300 -0.055 0.000 1.311 463 I CB 0.750 38.715 38.000 -0.059 0.000 1.401 463 I HN 0.170 nan 8.210 nan 0.000 0.491 464 D N 4.333 124.703 120.400 -0.050 0.000 2.487 464 D HA -0.071 4.569 4.640 0.001 0.000 0.243 464 D C 1.259 177.513 176.300 -0.078 0.000 1.154 464 D CA 0.202 54.177 54.000 -0.041 0.000 0.876 464 D CB 1.131 41.929 40.800 -0.003 0.000 1.161 464 D HN 0.663 nan 8.370 nan 0.000 0.478 465 S N 4.414 120.059 115.700 -0.092 0.000 2.419 465 S HA -0.213 4.257 4.470 0.001 0.000 0.235 465 S C 1.690 176.253 174.600 -0.062 0.000 1.019 465 S CA 0.676 58.805 58.200 -0.118 0.000 0.982 465 S CB -0.076 63.074 63.200 -0.084 0.000 0.789 465 S HN 0.565 nan 8.310 nan 0.000 0.490 466 R N 0.869 121.347 120.500 -0.035 0.000 2.159 466 R HA 0.115 4.455 4.340 0.001 0.000 0.237 466 R C 1.902 178.178 176.300 -0.040 0.000 1.131 466 R CA 1.325 57.401 56.100 -0.039 0.000 0.982 466 R CB -0.602 29.664 30.300 -0.058 0.000 0.868 466 R HN 0.454 nan 8.270 nan 0.000 0.453 467 L N 0.334 121.533 121.223 -0.039 0.000 2.492 467 L HA 0.110 4.450 4.340 0.001 0.000 0.223 467 L C 0.692 177.554 176.870 -0.013 0.000 1.132 467 L CA 0.203 55.028 54.840 -0.026 0.000 0.850 467 L CB 0.079 42.122 42.059 -0.026 0.000 0.966 467 L HN 0.064 nan 8.230 nan 0.000 0.454 468 I N 0.087 120.640 120.570 -0.028 0.000 2.385 468 I HA 0.258 4.428 4.170 0.001 0.000 0.294 468 I C -0.593 175.532 176.117 0.014 0.000 0.988 468 I CA -0.419 60.875 61.300 -0.010 0.000 1.265 468 I CB 1.788 39.753 38.000 -0.058 0.000 1.388 468 I HN -0.303 nan 8.210 nan 0.000 0.480 469 V N 4.765 124.711 119.914 0.054 0.000 2.709 469 V HA 0.348 4.468 4.120 0.001 0.000 0.308 469 V C -0.857 175.251 176.094 0.024 0.000 1.062 469 V CA -0.837 61.468 62.300 0.009 0.000 0.901 469 V CB 2.169 34.001 31.823 0.015 0.000 1.003 469 V HN 0.585 nan 8.190 nan 0.000 0.425 470 D N 2.287 122.632 120.400 -0.091 0.000 2.193 470 D HA 0.521 5.161 4.640 0.001 0.000 0.249 470 D C -1.064 175.177 176.300 -0.097 0.000 1.034 470 D CA 0.059 54.045 54.000 -0.023 0.000 0.902 470 D CB 1.473 42.276 40.800 0.004 0.000 1.182 470 D HN 0.446 nan 8.370 nan 0.000 0.436 471 W N 1.166 122.433 121.300 -0.055 0.000 2.619 471 W HA 0.451 5.112 4.660 0.001 0.000 0.327 471 W C 0.116 176.666 176.519 0.051 0.000 1.027 471 W CA -0.830 56.527 57.345 0.021 0.000 1.233 471 W CB 1.340 30.698 29.460 -0.171 0.000 1.370 471 W HN -0.075 nan 8.180 nan 0.000 0.453 472 R N 3.008 123.734 120.500 0.377 0.000 2.483 472 R HA 0.483 4.823 4.340 0.001 0.000 0.303 472 R C -1.573 174.904 176.300 0.295 0.000 0.987 472 R CA -0.852 55.357 56.100 0.182 0.000 0.881 472 R CB 1.549 31.924 30.300 0.126 0.000 1.177 472 R HN 0.174 nan 8.270 nan 0.000 0.451 473 F N 3.293 123.103 119.950 -0.233 0.000 2.458 473 F HA 0.492 5.019 4.527 0.001 0.000 0.336 473 F C -0.312 175.394 175.800 -0.157 0.000 1.114 473 F CA -1.405 56.551 58.000 -0.073 0.000 0.987 473 F CB 1.016 39.927 39.000 -0.148 0.000 1.130 473 F HN 0.296 nan 8.300 nan 0.000 0.458 474 F N 1.361 121.510 119.950 0.331 0.000 2.449 474 F HA 0.660 5.188 4.527 0.001 0.000 0.342 474 F C 0.647 176.664 175.800 0.361 0.000 1.127 474 F CA -1.126 57.068 58.000 0.324 0.000 0.975 474 F CB 1.524 40.763 39.000 0.398 0.000 1.146 474 F HN 0.521 nan 8.300 nan 0.000 0.444 475 G N 2.048 111.112 108.800 0.440 0.000 2.462 475 G HA2 0.626 4.586 3.960 0.001 0.000 0.319 475 G HA3 0.626 4.586 3.960 0.001 0.000 0.319 475 G C -0.869 174.227 174.900 0.327 0.000 1.171 475 G CA -1.075 44.259 45.100 0.389 0.000 0.920 475 G HN 0.714 nan 8.290 nan 0.000 0.499 476 R N -0.661 120.028 120.500 0.315 0.000 2.404 476 R HA 0.641 4.981 4.340 0.001 0.000 0.291 476 R C -0.979 175.416 176.300 0.158 0.000 1.025 476 R CA -0.528 55.676 56.100 0.172 0.000 0.991 476 R CB 1.207 31.621 30.300 0.189 0.000 1.053 476 R HN 0.256 nan 8.270 nan 0.000 0.479 477 T N 2.100 116.712 114.554 0.097 0.000 2.786 477 T HA 0.110 4.461 4.350 0.001 0.000 0.283 477 T C -0.726 174.046 174.700 0.120 0.000 0.992 477 T CA -0.633 61.576 62.100 0.181 0.000 0.954 477 T CB 1.299 70.357 68.868 0.317 0.000 0.934 477 T HN 0.680 nan 8.240 nan 0.000 0.440 478 E N 5.052 125.328 120.200 0.126 0.000 2.417 478 E HA 0.070 4.420 4.350 0.001 0.000 0.261 478 E C -2.062 174.609 176.600 0.118 0.000 1.000 478 E CA -1.467 54.997 56.400 0.107 0.000 0.919 478 E CB 0.506 30.262 29.700 0.094 0.000 0.955 478 E HN 0.207 nan 8.360 nan 0.000 0.455 479 P HA 0.087 nan 4.420 nan 0.000 0.271 479 P C -1.232 176.217 177.300 0.248 0.000 1.226 479 P CA 0.106 63.336 63.100 0.216 0.000 0.765 479 P CB 0.693 32.536 31.700 0.239 0.000 0.835 480 K N 2.656 123.149 120.400 0.155 0.000 2.427 480 K HA 0.178 4.499 4.320 0.001 0.000 0.252 480 K C 0.944 177.375 176.600 -0.282 0.000 0.931 480 K CA -0.727 55.570 56.287 0.017 0.000 0.793 480 K CB 2.336 34.804 32.500 -0.054 0.000 1.211 480 K HN 0.454 nan 8.250 nan 0.000 0.426 481 E N 2.097 121.978 120.200 -0.532 0.000 2.160 481 E HA -0.210 4.141 4.350 0.001 0.000 0.195 481 E C 1.020 177.360 176.600 -0.434 0.000 0.991 481 E CA 1.463 57.289 56.400 -0.957 0.000 0.810 481 E CB 0.479 29.835 29.700 -0.574 0.000 0.742 481 E HN 0.544 nan 8.360 nan 0.000 0.466 482 E N 0.372 120.424 120.200 -0.246 0.000 2.274 482 E HA -0.118 4.233 4.350 0.001 0.000 0.194 482 E C 0.029 176.565 176.600 -0.107 0.000 0.996 482 E CA 0.326 56.637 56.400 -0.147 0.000 0.840 482 E CB -0.312 29.319 29.700 -0.114 0.000 0.772 482 E HN 0.089 nan 8.360 nan 0.000 0.491 483 N N 2.098 120.721 118.700 -0.127 0.000 2.420 483 N HA 0.163 4.903 4.740 0.001 0.000 0.262 483 N C -0.637 174.927 175.510 0.090 0.000 1.144 483 N CA 0.247 53.277 53.050 -0.032 0.000 0.952 483 N CB 1.043 39.475 38.487 -0.091 0.000 1.081 483 N HN 0.135 nan 8.380 nan 0.000 0.480 484 K N 1.069 121.579 120.400 0.182 0.000 2.477 484 K HA 0.489 4.810 4.320 0.001 0.000 0.255 484 K C -1.181 175.573 176.600 0.257 0.000 0.952 484 K CA -0.925 55.489 56.287 0.212 0.000 0.826 484 K CB 2.369 34.998 32.500 0.215 0.000 1.331 484 K HN 0.174 nan 8.250 nan 0.000 0.437 485 L N 3.376 124.697 121.223 0.164 0.000 2.325 485 L HA 0.584 4.924 4.340 0.001 0.000 0.281 485 L C -1.371 175.436 176.870 -0.106 0.000 1.004 485 L CA -0.079 54.694 54.840 -0.113 0.000 0.823 485 L CB 0.648 42.637 42.059 -0.117 0.000 1.236 485 L HN 0.710 nan 8.230 nan 0.000 0.415 486 W N 3.495 124.505 121.300 -0.484 0.000 3.017 486 W HA 0.668 5.328 4.660 0.001 0.000 0.341 486 W C -2.130 173.922 176.519 -0.779 0.000 1.180 486 W CA -1.201 55.911 57.345 -0.389 0.000 1.097 486 W CB 0.934 30.317 29.460 -0.128 0.000 1.468 486 W HN 0.338 nan 8.180 nan 0.000 0.584 487 F N 1.351 121.519 119.950 0.364 0.000 2.547 487 F HA 0.335 4.862 4.527 0.001 0.000 0.316 487 F C 0.713 176.691 175.800 0.297 0.000 1.121 487 F CA -0.940 57.149 58.000 0.149 0.000 0.911 487 F CB 2.111 41.169 39.000 0.096 0.000 1.179 487 F HN 0.246 nan 8.300 nan 0.000 0.443 488 S N 1.125 116.994 115.700 0.280 0.000 2.562 488 S HA 0.045 4.516 4.470 0.001 0.000 0.281 488 S C 0.755 175.506 174.600 0.252 0.000 1.333 488 S CA -0.507 57.873 58.200 0.300 0.000 1.052 488 S CB 0.329 63.614 63.200 0.141 0.000 0.884 488 S HN 0.688 nan 8.310 nan 0.000 0.506 489 D N 3.114 123.646 120.400 0.221 0.000 2.328 489 D HA 0.141 4.781 4.640 0.001 0.000 0.226 489 D C 0.895 177.258 176.300 0.104 0.000 1.066 489 D CA 0.465 54.549 54.000 0.140 0.000 0.861 489 D CB 0.224 41.087 40.800 0.105 0.000 0.912 489 D HN 0.369 nan 8.370 nan 0.000 0.521 490 K N -0.570 119.895 120.400 0.109 0.000 2.665 490 K HA 0.160 4.480 4.320 0.001 0.000 0.197 490 K C 0.162 176.805 176.600 0.072 0.000 1.463 490 K CA -0.179 56.156 56.287 0.080 0.000 1.107 490 K CB 1.221 33.767 32.500 0.077 0.000 1.584 490 K HN 0.048 nan 8.250 nan 0.000 0.558 491 I N 3.514 124.130 120.570 0.078 0.000 2.474 491 I HA 0.096 4.267 4.170 0.001 0.000 0.287 491 I C 0.690 176.845 176.117 0.064 0.000 1.048 491 I CA 0.206 61.541 61.300 0.059 0.000 1.383 491 I CB 0.802 38.826 38.000 0.041 0.000 1.412 491 I HN 0.145 nan 8.210 nan 0.000 0.531 492 T N 1.505 116.092 114.554 0.055 0.000 2.908 492 T HA 0.596 4.946 4.350 0.001 0.000 0.290 492 T C -0.339 174.398 174.700 0.061 0.000 1.034 492 T CA -0.934 61.205 62.100 0.066 0.000 1.010 492 T CB 2.397 71.299 68.868 0.056 0.000 1.068 492 T HN 0.544 nan 8.240 nan 0.000 0.481 493 D N 1.003 121.456 120.400 0.088 0.000 2.469 493 D HA 0.460 5.100 4.640 0.001 0.000 0.278 493 D C 1.600 177.940 176.300 0.066 0.000 1.231 493 D CA -0.460 53.597 54.000 0.095 0.000 1.075 493 D CB -0.013 40.882 40.800 0.158 0.000 1.121 493 D HN 0.640 nan 8.370 nan 0.000 0.571 494 A N -1.449 121.401 122.820 0.050 0.000 2.121 494 A HA -0.093 4.228 4.320 0.001 0.000 0.218 494 A C 1.006 178.411 177.584 -0.299 0.000 1.154 494 A CA 0.815 52.779 52.037 -0.121 0.000 0.679 494 A CB -0.915 17.985 19.000 -0.168 0.000 0.795 494 A HN 0.536 nan 8.150 nan 0.000 0.458 495 Y N -1.231 119.088 120.300 0.033 0.000 2.720 495 Y HA 0.251 4.801 4.550 0.001 0.000 0.277 495 Y C 0.793 176.717 175.900 0.039 0.000 1.144 495 Y CA -0.315 57.807 58.100 0.037 0.000 1.221 495 Y CB -0.286 38.183 38.460 0.015 0.000 1.163 495 Y HN 0.414 nan 8.280 nan 0.000 0.537 496 N N 0.116 118.880 118.700 0.107 0.000 2.725 496 N HA -0.183 4.557 4.740 0.001 0.000 0.249 496 N C -0.636 174.924 175.510 0.083 0.000 1.103 496 N CA 0.640 53.734 53.050 0.073 0.000 0.707 496 N CB -0.498 38.016 38.487 0.044 0.000 1.043 496 N HN 0.167 nan 8.380 nan 0.000 0.553 497 M N -0.321 119.347 119.600 0.113 0.000 2.654 497 M HA 0.443 4.923 4.480 0.001 0.000 0.310 497 M C -2.051 174.316 176.300 0.111 0.000 1.211 497 M CA -2.024 53.332 55.300 0.093 0.000 0.947 497 M CB 0.607 33.264 32.600 0.094 0.000 1.647 497 M HN -0.226 nan 8.290 nan 0.000 0.481 498 P HA -0.014 nan 4.420 nan 0.000 0.261 498 P C -0.624 176.837 177.300 0.269 0.000 1.183 498 P CA 0.122 63.326 63.100 0.172 0.000 0.761 498 P CB 0.188 31.991 31.700 0.171 0.000 0.785 499 Q N 7.052 126.956 119.800 0.173 0.000 2.297 499 Q HA 0.179 4.519 4.340 0.001 0.000 0.267 499 Q C -2.287 173.694 176.000 -0.032 0.000 1.006 499 Q CA -2.084 53.770 55.803 0.084 0.000 0.896 499 Q CB -0.196 28.541 28.738 -0.001 0.000 1.186 499 Q HN 0.293 nan 8.270 nan 0.000 0.392 500 P HA 0.113 nan 4.420 nan 0.000 0.271 500 P C -1.057 175.762 177.300 -0.801 0.000 1.216 500 P CA -0.108 62.575 63.100 -0.694 0.000 0.771 500 P CB 0.976 32.356 31.700 -0.532 0.000 0.864 501 T N 3.136 116.992 114.554 -1.162 0.000 2.916 501 T HA 0.514 4.865 4.350 0.001 0.000 0.298 501 T C -0.517 173.513 174.700 -1.117 0.000 1.031 501 T CA -0.119 61.292 62.100 -1.148 0.000 0.993 501 T CB 0.525 68.384 68.868 -1.682 0.000 1.045 501 T HN 0.055 nan 8.240 nan 0.000 0.454 502 F N 1.851 121.513 119.950 -0.481 0.000 2.397 502 F HA 0.556 5.084 4.527 0.001 0.000 0.331 502 F C 0.645 176.381 175.800 -0.105 0.000 1.090 502 F CA -0.861 56.988 58.000 -0.253 0.000 1.065 502 F CB 1.130 40.034 39.000 -0.159 0.000 1.184 502 F HN 0.399 nan 8.300 nan 0.000 0.499 503 D N 2.870 123.437 120.400 0.279 0.000 2.358 503 D HA 0.223 4.864 4.640 0.001 0.000 0.253 503 D C -1.855 174.575 176.300 0.217 0.000 1.288 503 D CA -0.113 54.032 54.000 0.242 0.000 0.950 503 D CB 0.420 41.395 40.800 0.292 0.000 1.197 503 D HN 0.293 nan 8.370 nan 0.000 0.550 504 F N 3.417 123.357 119.950 -0.017 0.000 2.574 504 F HA 0.586 5.113 4.527 0.001 0.000 0.313 504 F C -1.192 174.495 175.800 -0.188 0.000 1.130 504 F CA -0.561 57.361 58.000 -0.131 0.000 0.936 504 F CB 1.346 40.199 39.000 -0.246 0.000 1.219 504 F HN 0.042 nan 8.300 nan 0.000 0.445 505 R N 4.314 124.286 120.500 -0.879 0.000 2.771 505 R HA 0.364 4.704 4.340 0.001 0.000 0.274 505 R C -1.657 174.003 176.300 -1.067 0.000 0.987 505 R CA -0.966 54.725 56.100 -0.681 0.000 0.908 505 R CB 1.786 31.913 30.300 -0.289 0.000 1.213 505 R HN 0.572 nan 8.270 nan 0.000 0.468 506 F N 2.817 122.560 119.950 -0.345 0.000 2.543 506 F HA 0.184 4.712 4.527 0.001 0.000 0.375 506 F C -1.321 174.360 175.800 -0.199 0.000 1.075 506 F CA -1.190 56.688 58.000 -0.203 0.000 1.225 506 F CB -0.096 38.905 39.000 0.001 0.000 1.099 506 F HN 0.123 nan 8.300 nan 0.000 0.561 507 P HA 0.096 nan 4.420 nan 0.000 0.267 507 P C -0.542 176.773 177.300 0.024 0.000 1.200 507 P CA -0.164 62.916 63.100 -0.034 0.000 0.772 507 P CB 0.517 32.210 31.700 -0.011 0.000 0.855 508 A N 2.585 125.405 122.820 0.000 0.000 2.429 508 A HA 0.512 4.833 4.320 0.001 0.000 0.242 508 A C 1.148 178.747 177.584 0.025 0.000 1.088 508 A CA 0.862 52.905 52.037 0.011 0.000 0.784 508 A CB -1.053 17.946 19.000 -0.002 0.000 1.038 508 A HN 0.841 nan 8.150 nan 0.000 0.501 509 G N 0.083 108.900 108.800 0.028 0.000 2.496 509 G HA2 -0.265 3.695 3.960 0.001 0.000 0.243 509 G HA3 -0.265 3.695 3.960 0.001 0.000 0.243 509 G C 1.032 175.962 174.900 0.051 0.000 1.176 509 G CA 0.812 45.934 45.100 0.036 0.000 0.940 509 G HN 1.084 nan 8.290 nan 0.000 0.573 510 R N -0.171 120.365 120.500 0.060 0.000 2.103 510 R HA -0.107 4.233 4.340 0.001 0.000 0.242 510 R C 2.786 179.143 176.300 0.095 0.000 1.142 510 R CA 2.840 58.986 56.100 0.076 0.000 0.960 510 R CB -0.931 29.417 30.300 0.079 0.000 0.858 510 R HN 0.635 nan 8.270 nan 0.000 0.439 511 T N 0.021 114.635 114.554 0.100 0.000 2.684 511 T HA -0.114 4.237 4.350 0.001 0.000 0.267 511 T C 1.940 176.695 174.700 0.091 0.000 1.036 511 T CA 1.817 63.992 62.100 0.124 0.000 1.148 511 T CB -0.184 68.779 68.868 0.159 0.000 0.863 511 T HN 0.282 nan 8.240 nan 0.000 0.436 512 S N 0.615 116.353 115.700 0.065 0.000 2.371 512 S HA -0.031 4.439 4.470 0.001 0.000 0.224 512 S C 2.020 176.633 174.600 0.021 0.000 1.029 512 S CA 1.009 59.219 58.200 0.016 0.000 0.978 512 S CB -0.199 63.007 63.200 0.011 0.000 0.833 512 S HN 0.511 nan 8.310 nan 0.000 0.466 513 K N 1.418 121.846 120.400 0.047 0.000 2.032 513 K HA -0.167 4.153 4.320 0.001 0.000 0.209 513 K C 1.943 178.600 176.600 0.096 0.000 1.048 513 K CA 1.614 57.938 56.287 0.061 0.000 0.927 513 K CB -0.148 32.392 32.500 0.068 0.000 0.712 513 K HN 0.352 nan 8.250 nan 0.000 0.441 514 E N -0.150 120.132 120.200 0.135 0.000 2.110 514 E HA -0.202 4.149 4.350 0.001 0.000 0.193 514 E C 1.988 178.688 176.600 0.166 0.000 0.988 514 E CA 1.019 57.558 56.400 0.231 0.000 0.804 514 E CB -0.135 29.727 29.700 0.271 0.000 0.745 514 E HN 0.476 nan 8.360 nan 0.000 0.458 515 A N 1.377 124.257 122.820 0.100 0.000 1.877 515 A HA -0.249 4.071 4.320 0.001 0.000 0.216 515 A C 2.097 179.749 177.584 0.113 0.000 1.186 515 A CA 1.811 53.900 52.037 0.087 0.000 0.620 515 A CB -0.392 18.600 19.000 -0.014 0.000 0.822 515 A HN 0.144 nan 8.150 nan 0.000 0.443 516 E N 0.509 120.756 120.200 0.080 0.000 2.107 516 E HA -0.147 4.203 4.350 0.001 0.000 0.191 516 E C 1.308 177.895 176.600 -0.021 0.000 0.982 516 E CA 1.492 57.941 56.400 0.080 0.000 0.809 516 E CB -0.310 29.412 29.700 0.037 0.000 0.756 516 E HN 0.521 nan 8.360 nan 0.000 0.459 517 D N -0.062 120.326 120.400 -0.021 0.000 2.178 517 D HA -0.181 4.459 4.640 0.001 0.000 0.201 517 D C 1.903 177.962 176.300 -0.402 0.000 0.980 517 D CA 1.144 55.114 54.000 -0.051 0.000 0.842 517 D CB -0.306 40.590 40.800 0.160 0.000 0.948 517 D HN 0.336 nan 8.370 nan 0.000 0.472 518 M N -0.245 118.932 119.600 -0.705 0.000 2.099 518 M HA -0.188 4.292 4.480 0.001 0.000 0.262 518 M C 2.090 177.973 176.300 -0.694 0.000 1.067 518 M CA 1.176 55.700 55.300 -1.293 0.000 1.124 518 M CB -0.010 32.073 32.600 -0.862 0.000 1.353 518 M HN -0.054 nan 8.290 nan 0.000 0.410 519 M N 0.568 119.895 119.600 -0.456 0.000 2.073 519 M HA -0.196 4.284 4.480 0.001 0.000 0.258 519 M C 1.800 177.887 176.300 -0.354 0.000 1.070 519 M CA 2.588 57.621 55.300 -0.445 0.000 1.103 519 M CB -1.069 31.346 32.600 -0.308 0.000 1.321 519 M HN 0.307 nan 8.290 nan 0.000 0.405 520 T N -0.182 114.231 114.554 -0.235 0.000 2.759 520 T HA -0.169 4.181 4.350 0.001 0.000 0.269 520 T C 1.491 176.113 174.700 -0.131 0.000 1.042 520 T CA 1.779 63.791 62.100 -0.146 0.000 1.140 520 T CB -0.622 68.205 68.868 -0.068 0.000 0.864 520 T HN 0.557 nan 8.240 nan 0.000 0.455 521 D N 0.473 120.786 120.400 -0.146 0.000 2.144 521 D HA -0.047 4.593 4.640 0.001 0.000 0.199 521 D C 2.054 178.331 176.300 -0.037 0.000 0.984 521 D CA 0.776 54.797 54.000 0.035 0.000 0.834 521 D CB -0.201 40.723 40.800 0.207 0.000 0.955 521 D HN 0.295 nan 8.370 nan 0.000 0.465 522 M N -0.524 118.821 119.600 -0.426 0.000 2.132 522 M HA -0.161 4.319 4.480 0.001 0.000 0.263 522 M C 1.924 177.925 176.300 -0.499 0.000 1.065 522 M CA 1.280 56.064 55.300 -0.860 0.000 1.122 522 M CB -0.157 31.666 32.600 -1.295 0.000 1.365 522 M HN 0.191 nan 8.290 nan 0.000 0.411 523 C N -0.245 118.862 119.300 -0.323 0.000 2.413 523 C HA -0.126 4.334 4.460 0.001 0.000 0.276 523 C C 2.679 177.570 174.990 -0.164 0.000 1.236 523 C CA 0.958 59.890 59.018 -0.143 0.000 1.735 523 C CB -1.036 26.667 27.740 -0.060 0.000 2.031 523 C HN 0.503 nan 8.230 nan 0.000 0.474 524 V N 0.540 120.390 119.914 -0.107 0.000 2.307 524 V HA -0.291 3.830 4.120 0.001 0.000 0.245 524 V C 2.384 178.458 176.094 -0.034 0.000 1.045 524 V CA 2.338 64.610 62.300 -0.047 0.000 1.024 524 V CB -0.653 31.189 31.823 0.032 0.000 0.651 524 V HN 0.598 nan 8.190 nan 0.000 0.449 525 M N 0.621 120.233 119.600 0.021 0.000 2.156 525 M HA -0.142 4.338 4.480 0.001 0.000 0.264 525 M C 2.476 178.671 176.300 -0.176 0.000 1.067 525 M CA 2.200 57.593 55.300 0.155 0.000 1.131 525 M CB -0.168 32.678 32.600 0.411 0.000 1.368 525 M HN 0.545 nan 8.290 nan 0.000 0.416 526 S N 0.700 115.991 115.700 -0.682 0.000 2.382 526 S HA -0.072 4.399 4.470 0.001 0.000 0.228 526 S C 2.028 176.252 174.600 -0.627 0.000 1.027 526 S CA 1.021 58.422 58.200 -1.332 0.000 0.991 526 S CB -0.932 61.234 63.200 -1.723 0.000 0.823 526 S HN 0.577 nan 8.310 nan 0.000 0.469 527 A N 2.189 124.740 122.820 -0.448 0.000 2.032 527 A HA -0.108 4.213 4.320 0.001 0.000 0.221 527 A C 2.193 179.658 177.584 -0.200 0.000 1.165 527 A CA 1.619 53.450 52.037 -0.343 0.000 0.645 527 A CB -0.625 18.199 19.000 -0.293 0.000 0.807 527 A HN 0.665 nan 8.150 nan 0.000 0.453 528 K N -0.816 119.511 120.400 -0.122 0.000 2.288 528 K HA 0.007 4.328 4.320 0.001 0.000 0.201 528 K C 1.263 177.859 176.600 -0.007 0.000 1.048 528 K CA 0.884 57.146 56.287 -0.042 0.000 0.956 528 K CB -0.042 32.474 32.500 0.027 0.000 0.746 528 K HN 0.426 nan 8.250 nan 0.000 0.461 529 I N -0.645 119.934 120.570 0.015 0.000 3.039 529 I HA 0.136 4.306 4.170 0.001 0.000 0.270 529 I C 1.145 177.274 176.117 0.020 0.000 1.150 529 I CA 0.606 61.959 61.300 0.087 0.000 1.448 529 I CB -0.070 38.118 38.000 0.313 0.000 1.197 529 I HN 0.093 nan 8.210 nan 0.000 0.450 530 G N -0.635 108.126 108.800 -0.065 0.000 2.356 530 G HA2 0.466 4.427 3.960 0.001 0.000 0.294 530 G HA3 0.466 4.427 3.960 0.001 0.000 0.294 530 G C -0.644 174.111 174.900 -0.241 0.000 1.423 530 G CA -0.162 44.874 45.100 -0.106 0.000 0.806 530 G HN 0.280 nan 8.290 nan 0.000 0.527 531 G N -1.115 107.537 108.800 -0.246 0.000 2.599 531 G HA2 0.541 4.502 3.960 0.001 0.000 0.264 531 G HA3 0.541 4.502 3.960 0.001 0.000 0.264 531 G C -0.243 174.466 174.900 -0.319 0.000 1.200 531 G CA -0.487 44.378 45.100 -0.391 0.000 0.896 531 G HN 0.434 nan 8.290 nan 0.000 0.536 532 F N -0.819 119.035 119.950 -0.160 0.000 2.496 532 F HA 0.219 4.746 4.527 0.001 0.000 0.344 532 F C 0.705 176.442 175.800 -0.106 0.000 1.155 532 F CA -0.754 57.146 58.000 -0.168 0.000 1.302 532 F CB 0.658 39.552 39.000 -0.178 0.000 1.159 532 F HN 0.177 nan 8.300 nan 0.000 0.595 533 L N 5.536 126.820 121.223 0.102 0.000 2.313 533 L HA 0.421 4.762 4.340 0.001 0.000 0.282 533 L C -2.415 174.496 176.870 0.068 0.000 1.092 533 L CA -1.964 52.911 54.840 0.060 0.000 0.831 533 L CB 0.111 42.197 42.059 0.044 0.000 1.159 533 L HN 0.273 nan 8.230 nan 0.000 0.442 534 P HA 0.167 nan 4.420 nan 0.000 0.264 534 P C 0.654 178.001 177.300 0.078 0.000 1.183 534 P CA 1.077 64.213 63.100 0.060 0.000 0.763 534 P CB 0.586 32.316 31.700 0.050 0.000 0.807 535 G N 1.954 110.797 108.800 0.071 0.000 2.199 535 G HA2 -0.242 3.719 3.960 0.001 0.000 0.254 535 G HA3 -0.242 3.719 3.960 0.001 0.000 0.254 535 G C 0.446 175.432 174.900 0.143 0.000 0.982 535 G CA 0.266 45.428 45.100 0.104 0.000 0.632 535 G HN 0.535 nan 8.290 nan 0.000 0.529 536 S N 0.593 116.350 115.700 0.095 0.000 2.526 536 S HA 0.498 4.968 4.470 0.001 0.000 0.220 536 S C 0.440 174.966 174.600 -0.124 0.000 1.159 536 S CA -0.576 57.675 58.200 0.085 0.000 1.196 536 S CB 0.297 63.519 63.200 0.036 0.000 1.225 536 S HN 0.472 nan 8.310 nan 0.000 0.432 537 L N 2.653 123.793 121.223 -0.138 0.000 2.464 537 L HA 0.355 4.695 4.340 0.001 0.000 0.264 537 L C -1.964 174.626 176.870 -0.465 0.000 1.199 537 L CA -2.147 52.475 54.840 -0.363 0.000 0.818 537 L CB -0.054 41.851 42.059 -0.256 0.000 1.102 537 L HN 0.094 nan 8.230 nan 0.000 0.473 538 P HA 0.004 nan 4.420 nan 0.000 0.263 538 P C -1.481 175.594 177.300 -0.375 0.000 1.195 538 P CA 0.085 62.802 63.100 -0.637 0.000 0.762 538 P CB 0.548 31.767 31.700 -0.802 0.000 0.799 539 Q N 1.968 121.586 119.800 -0.303 0.000 2.426 539 Q HA 0.444 4.784 4.340 0.001 0.000 0.278 539 Q C -1.449 174.399 176.000 -0.252 0.000 1.007 539 Q CA -0.875 54.828 55.803 -0.166 0.000 0.850 539 Q CB 0.616 29.338 28.738 -0.027 0.000 1.427 539 Q HN 0.099 nan 8.270 nan 0.000 0.391 540 F N 1.784 121.686 119.950 -0.081 0.000 2.484 540 F HA 0.245 4.773 4.527 0.001 0.000 0.360 540 F C 0.728 176.500 175.800 -0.046 0.000 1.101 540 F CA -0.172 57.782 58.000 -0.077 0.000 1.251 540 F CB 0.748 39.693 39.000 -0.092 0.000 1.132 540 F HN 0.409 nan 8.300 nan 0.000 0.570 541 M N 2.505 122.157 119.600 0.087 0.000 2.247 541 M HA 0.179 4.660 4.480 0.001 0.000 0.326 541 M C 0.134 176.478 176.300 0.073 0.000 1.134 541 M CA -0.594 54.726 55.300 0.032 0.000 1.136 541 M CB 0.780 33.356 32.600 -0.040 0.000 1.454 541 M HN 0.477 nan 8.290 nan 0.000 0.467 542 K N 1.956 122.372 120.400 0.026 0.000 2.527 542 K HA 0.049 4.369 4.320 0.001 0.000 0.278 542 K C -2.233 174.388 176.600 0.035 0.000 0.981 542 K CA -0.929 55.373 56.287 0.026 0.000 1.009 542 K CB -0.341 32.149 32.500 -0.017 0.000 0.895 542 K HN 0.297 nan 8.250 nan 0.000 0.493 543 P HA -0.028 nan 4.420 nan 0.000 0.267 543 P C 0.503 177.733 177.300 -0.116 0.000 1.209 543 P CA 0.671 63.801 63.100 0.052 0.000 0.763 543 P CB 0.731 32.425 31.700 -0.010 0.000 0.816 544 G N 2.517 111.256 108.800 -0.100 0.000 2.195 544 G HA2 -0.313 3.647 3.960 0.001 0.000 0.246 544 G HA3 -0.313 3.647 3.960 0.001 0.000 0.246 544 G C 0.714 175.569 174.900 -0.074 0.000 0.984 544 G CA 0.163 45.169 45.100 -0.157 0.000 0.633 544 G HN 0.520 nan 8.290 nan 0.000 0.525 545 L N 1.127 122.322 121.223 -0.048 0.000 2.191 545 L HA 0.173 4.514 4.340 0.001 0.000 0.212 545 L C 2.866 179.720 176.870 -0.027 0.000 1.103 545 L CA 2.438 57.252 54.840 -0.044 0.000 0.769 545 L CB -0.412 41.613 42.059 -0.056 0.000 0.908 545 L HN 0.599 nan 8.230 nan 0.000 0.438 546 V N 0.102 120.007 119.914 -0.016 0.000 2.453 546 V HA -0.244 3.876 4.120 0.001 0.000 0.252 546 V C 1.608 177.634 176.094 -0.114 0.000 1.068 546 V CA 1.677 63.954 62.300 -0.040 0.000 1.070 546 V CB -0.313 31.529 31.823 0.032 0.000 0.664 546 V HN 0.504 nan 8.190 nan 0.000 0.461 547 L N -0.214 121.008 121.223 -0.002 0.000 3.608 547 L HA -0.238 4.102 4.340 0.001 0.000 0.422 547 L C 0.333 177.353 176.870 0.251 0.000 1.260 547 L CA 0.941 55.840 54.840 0.098 0.000 0.889 547 L CB -2.553 39.587 42.059 0.136 0.000 1.821 547 L HN 0.606 nan 8.230 nan 0.000 0.884 548 H N -0.696 118.483 119.070 0.181 0.000 2.467 548 H HA 0.267 4.823 4.556 0.001 0.000 0.275 548 H C 0.519 175.989 175.328 0.237 0.000 1.131 548 H CA -1.104 55.091 56.048 0.245 0.000 0.989 548 H CB 0.701 30.649 29.762 0.311 0.000 1.696 548 H HN 0.187 nan 8.280 nan 0.000 0.574 549 L N 2.052 123.420 121.223 0.242 0.000 2.601 549 L HA 0.139 4.480 4.340 0.001 0.000 0.277 549 L C 0.640 177.643 176.870 0.222 0.000 1.219 549 L CA 0.801 55.735 54.840 0.156 0.000 0.915 549 L CB 0.212 42.328 42.059 0.096 0.000 1.160 549 L HN 0.301 nan 8.230 nan 0.000 0.494 550 G N 2.042 110.983 108.800 0.235 0.000 2.730 550 G HA2 0.541 4.501 3.960 0.001 0.000 0.289 550 G HA3 0.541 4.501 3.960 0.001 0.000 0.289 550 G C 0.332 175.334 174.900 0.170 0.000 1.341 550 G CA -0.294 44.965 45.100 0.265 0.000 0.932 550 G HN 1.312 nan 8.290 nan 0.000 0.481 551 G N -1.153 107.718 108.800 0.117 0.000 2.162 551 G HA2 -0.243 3.717 3.960 0.001 0.000 0.260 551 G HA3 -0.243 3.717 3.960 0.001 0.000 0.260 551 G C 1.325 176.288 174.900 0.106 0.000 0.976 551 G CA 1.600 46.771 45.100 0.119 0.000 0.655 551 G HN 1.865 nan 8.290 nan 0.000 0.533 552 T N -2.114 112.456 114.554 0.026 0.000 2.995 552 T HA 0.126 4.476 4.350 0.001 0.000 0.269 552 T C 1.084 175.868 174.700 0.140 0.000 1.091 552 T CA 1.870 64.024 62.100 0.091 0.000 1.128 552 T CB -0.272 68.654 68.868 0.095 0.000 0.891 552 T HN 1.541 nan 8.240 nan 0.000 0.492 553 H N -0.282 118.863 119.070 0.124 0.000 2.823 553 H HA 0.443 4.999 4.556 0.001 0.000 0.222 553 H C -0.141 175.229 175.328 0.069 0.000 1.414 553 H CA -1.353 54.743 56.048 0.079 0.000 1.289 553 H CB -0.412 29.363 29.762 0.021 0.000 1.970 553 H HN 0.357 nan 8.280 nan 0.000 0.517 554 R N 0.668 121.256 120.500 0.147 0.000 2.641 554 R HA 0.322 4.662 4.340 0.001 0.000 0.269 554 R C -0.304 176.055 176.300 0.099 0.000 1.074 554 R CA -0.742 55.416 56.100 0.097 0.000 1.133 554 R CB 1.026 31.372 30.300 0.077 0.000 1.029 554 R HN 0.473 nan 8.270 nan 0.000 0.488 555 M N 1.421 121.056 119.600 0.058 0.000 2.274 555 M HA 0.450 4.930 4.480 0.001 0.000 0.344 555 M C -0.553 175.738 176.300 -0.014 0.000 1.161 555 M CA 0.237 55.544 55.300 0.013 0.000 1.126 555 M CB 1.558 34.144 32.600 -0.024 0.000 1.522 555 M HN 0.932 nan 8.290 nan 0.000 0.461 556 G N 2.222 111.019 108.800 -0.005 0.000 2.559 556 G HA2 0.428 4.388 3.960 0.001 0.000 0.291 556 G HA3 0.428 4.388 3.960 0.001 0.000 0.291 556 G C -0.894 174.007 174.900 0.002 0.000 1.424 556 G CA -0.715 44.344 45.100 -0.068 0.000 0.786 556 G HN 0.696 nan 8.290 nan 0.000 0.485 557 F N -0.037 120.008 119.950 0.158 0.000 2.163 557 F HA 0.222 4.750 4.527 0.001 0.000 0.297 557 F C 1.185 177.114 175.800 0.215 0.000 1.094 557 F CA 1.123 59.219 58.000 0.160 0.000 1.290 557 F CB 0.298 39.355 39.000 0.094 0.000 1.017 557 F HN 0.404 nan 8.300 nan 0.000 0.483 558 D N -0.963 119.610 120.400 0.289 0.000 2.629 558 D HA 0.134 4.775 4.640 0.001 0.000 0.250 558 D C 0.758 176.936 176.300 -0.203 0.000 1.126 558 D CA -0.254 53.775 54.000 0.049 0.000 0.852 558 D CB 1.375 42.205 40.800 0.049 0.000 1.335 558 D HN 0.091 nan 8.370 nan 0.000 0.518 559 E N 3.154 122.924 120.200 -0.716 0.000 2.058 559 E HA -0.274 4.077 4.350 0.001 0.000 0.194 559 E C 1.373 177.794 176.600 -0.298 0.000 0.997 559 E CA 1.266 57.157 56.400 -0.848 0.000 0.801 559 E CB 0.261 29.317 29.700 -1.073 0.000 0.746 559 E HN 0.451 nan 8.360 nan 0.000 0.450 560 K N 0.151 120.427 120.400 -0.207 0.000 2.021 560 K HA -0.111 4.209 4.320 0.001 0.000 0.205 560 K C 2.023 178.594 176.600 -0.049 0.000 1.047 560 K CA 1.330 57.562 56.287 -0.092 0.000 0.943 560 K CB 0.060 32.521 32.500 -0.065 0.000 0.725 560 K HN 0.077 nan 8.250 nan 0.000 0.439 561 E N 0.259 120.436 120.200 -0.038 0.000 2.150 561 E HA -0.130 4.220 4.350 0.001 0.000 0.193 561 E C 0.680 177.281 176.600 0.001 0.000 0.985 561 E CA 0.976 57.374 56.400 -0.002 0.000 0.814 561 E CB 0.161 29.873 29.700 0.020 0.000 0.752 561 E HN 0.368 nan 8.360 nan 0.000 0.466 562 D N 0.185 120.581 120.400 -0.007 0.000 2.368 562 D HA 0.055 4.696 4.640 0.001 0.000 0.218 562 D C -0.646 175.597 176.300 -0.096 0.000 1.112 562 D CA -0.027 53.963 54.000 -0.017 0.000 0.834 562 D CB 0.072 40.897 40.800 0.042 0.000 0.953 562 D HN 0.072 nan 8.370 nan 0.000 0.505 563 N N 0.619 119.260 118.700 -0.098 0.000 2.667 563 N HA -0.191 4.550 4.740 0.001 0.000 0.263 563 N C -0.266 175.172 175.510 -0.121 0.000 1.038 563 N CA 0.575 53.544 53.050 -0.135 0.000 0.749 563 N CB -1.411 36.875 38.487 -0.335 0.000 0.892 563 N HN 0.407 nan 8.380 nan 0.000 0.546 564 C N -3.407 115.894 119.300 0.003 0.000 3.318 564 C HA 0.784 5.244 4.460 0.001 0.000 0.329 564 C C 1.340 176.497 174.990 0.278 0.000 1.449 564 C CA -0.658 58.433 59.018 0.122 0.000 1.397 564 C CB 1.591 29.426 27.740 0.157 0.000 1.810 564 C HN 0.493 nan 8.230 nan 0.000 0.449 565 C N 0.212 119.710 119.300 0.329 0.000 3.123 565 C HA 0.496 4.956 4.460 0.001 0.000 0.399 565 C C 0.620 175.732 174.990 0.202 0.000 1.320 565 C CA 0.596 59.805 59.018 0.319 0.000 1.949 565 C CB -0.291 27.557 27.740 0.180 0.000 2.692 565 C HN 0.955 nan 8.230 nan 0.000 0.623 566 V N 1.302 121.214 119.914 -0.003 0.000 2.914 566 V HA 0.709 4.829 4.120 0.001 0.000 0.314 566 V C -0.780 174.978 176.094 -0.560 0.000 1.084 566 V CA -0.652 61.404 62.300 -0.407 0.000 0.963 566 V CB 1.537 33.239 31.823 -0.202 0.000 1.025 566 V HN 0.405 nan 8.190 nan 0.000 0.432 567 N N 0.970 119.176 118.700 -0.823 0.000 2.431 567 N HA 0.272 5.013 4.740 0.001 0.000 0.289 567 N C 1.027 176.398 175.510 -0.232 0.000 1.277 567 N CA 0.210 52.988 53.050 -0.454 0.000 0.972 567 N CB -0.011 38.219 38.487 -0.427 0.000 1.143 567 N HN 0.926 nan 8.380 nan 0.000 0.578 568 T N -4.834 109.636 114.554 -0.139 0.000 3.160 568 T HA 0.032 4.382 4.350 0.001 0.000 0.257 568 T C 0.088 174.718 174.700 -0.117 0.000 1.147 568 T CA 0.530 62.554 62.100 -0.126 0.000 1.064 568 T CB -0.380 68.442 68.868 -0.077 0.000 0.949 568 T HN 0.428 nan 8.240 nan 0.000 0.526 569 D N 1.052 121.369 120.400 -0.137 0.000 2.328 569 D HA 0.190 4.831 4.640 0.001 0.000 0.221 569 D C 0.585 176.883 176.300 -0.004 0.000 1.072 569 D CA 0.112 54.045 54.000 -0.111 0.000 0.850 569 D CB 0.131 40.740 40.800 -0.317 0.000 0.922 569 D HN 0.333 nan 8.370 nan 0.000 0.516 570 S N 0.103 115.770 115.700 -0.055 0.000 3.382 570 S HA -0.247 4.224 4.470 0.001 0.000 0.293 570 S C 0.552 175.131 174.600 -0.035 0.000 1.262 570 S CA 0.441 58.648 58.200 0.012 0.000 0.969 570 S CB -1.288 61.998 63.200 0.145 0.000 1.136 570 S HN 0.463 nan 8.310 nan 0.000 0.635 571 R N 1.211 121.562 120.500 -0.247 0.000 2.357 571 R HA 0.472 4.813 4.340 0.001 0.000 0.296 571 R C -0.087 175.899 176.300 -0.523 0.000 1.052 571 R CA -0.401 55.353 56.100 -0.576 0.000 0.988 571 R CB 0.697 30.611 30.300 -0.643 0.000 1.025 571 R HN 0.129 nan 8.270 nan 0.000 0.469 572 V N 6.262 125.905 119.914 -0.451 0.000 2.485 572 V HA 0.016 4.136 4.120 0.001 0.000 0.287 572 V C 0.135 176.180 176.094 -0.081 0.000 1.022 572 V CA 0.185 62.318 62.300 -0.280 0.000 1.067 572 V CB -0.144 31.486 31.823 -0.321 0.000 0.967 572 V HN 0.568 nan 8.190 nan 0.000 0.479 573 F N 3.988 123.972 119.950 0.056 0.000 2.623 573 F HA 0.379 4.906 4.527 0.001 0.000 0.383 573 F C 1.591 177.522 175.800 0.219 0.000 1.077 573 F CA 1.623 59.684 58.000 0.102 0.000 1.268 573 F CB -0.045 39.010 39.000 0.091 0.000 1.053 573 F HN 0.786 nan 8.300 nan 0.000 0.571 574 G N 2.133 111.115 108.800 0.304 0.000 2.268 574 G HA2 -0.294 3.666 3.960 0.001 0.000 0.240 574 G HA3 -0.294 3.666 3.960 0.001 0.000 0.240 574 G C -0.105 174.717 174.900 -0.131 0.000 1.010 574 G CA -0.464 44.696 45.100 0.099 0.000 0.618 574 G HN 0.439 nan 8.290 nan 0.000 0.516 575 F N 1.159 121.136 119.950 0.044 0.000 2.427 575 F HA 0.650 5.177 4.527 0.001 0.000 0.346 575 F C 1.292 177.082 175.800 -0.016 0.000 1.120 575 F CA -1.026 56.986 58.000 0.020 0.000 1.033 575 F CB 1.747 40.756 39.000 0.015 0.000 1.126 575 F HN -0.256 nan 8.300 nan 0.000 0.462 576 K N 1.686 122.187 120.400 0.169 0.000 2.148 576 K HA -0.087 4.234 4.320 0.001 0.000 0.204 576 K C 0.929 177.744 176.600 0.358 0.000 1.050 576 K CA 1.031 57.460 56.287 0.236 0.000 0.942 576 K CB -0.180 32.464 32.500 0.240 0.000 0.724 576 K HN 0.669 nan 8.250 nan 0.000 0.446 577 N N -0.319 118.549 118.700 0.280 0.000 2.307 577 N HA 0.035 4.776 4.740 0.001 0.000 0.248 577 N C -0.748 174.875 175.510 0.188 0.000 1.322 577 N CA -0.340 52.916 53.050 0.344 0.000 0.861 577 N CB -0.006 38.734 38.487 0.421 0.000 1.303 577 N HN -0.049 nan 8.380 nan 0.000 0.498 578 L N 0.796 121.918 121.223 -0.169 0.000 2.356 578 L HA 0.705 5.045 4.340 0.001 0.000 0.277 578 L C -1.831 174.637 176.870 -0.671 0.000 0.996 578 L CA -0.628 54.071 54.840 -0.236 0.000 0.822 578 L CB 0.978 42.894 42.059 -0.238 0.000 1.256 578 L HN -0.026 nan 8.230 nan 0.000 0.413 579 F N 5.000 124.860 119.950 -0.149 0.000 2.565 579 F HA 0.643 5.170 4.527 0.001 0.000 0.313 579 F C -0.655 174.984 175.800 -0.269 0.000 1.091 579 F CA -0.675 57.217 58.000 -0.181 0.000 0.915 579 F CB 1.814 40.733 39.000 -0.135 0.000 1.208 579 F HN 0.180 nan 8.300 nan 0.000 0.453 580 L N 2.157 123.319 121.223 -0.102 0.000 2.346 580 L HA 0.903 5.244 4.340 0.001 0.000 0.276 580 L C 0.129 176.992 176.870 -0.012 0.000 1.006 580 L CA -0.826 53.887 54.840 -0.211 0.000 0.817 580 L CB 1.897 43.671 42.059 -0.475 0.000 1.272 580 L HN 0.788 nan 8.230 nan 0.000 0.421 581 G N 0.318 109.128 108.800 0.017 0.000 2.482 581 G HA2 0.793 4.753 3.960 0.001 0.000 0.317 581 G HA3 0.793 4.753 3.960 0.001 0.000 0.317 581 G C -0.486 174.535 174.900 0.201 0.000 1.241 581 G CA -0.285 44.936 45.100 0.201 0.000 0.967 581 G HN 0.968 nan 8.290 nan 0.000 0.482 582 G N -1.230 107.683 108.800 0.189 0.000 2.343 582 G HA2 0.055 4.016 3.960 0.001 0.000 0.465 582 G HA3 0.055 4.016 3.960 0.001 0.000 0.465 582 G C 0.770 175.725 174.900 0.092 0.000 1.282 582 G CA 0.046 45.231 45.100 0.142 0.000 0.996 582 G HN 1.174 nan 8.290 nan 0.000 0.521 583 C N 0.639 119.969 119.300 0.049 0.000 2.419 583 C HA 0.193 4.653 4.460 0.001 0.000 0.283 583 C C 3.028 178.000 174.990 -0.030 0.000 1.373 583 C CA 1.781 60.809 59.018 0.017 0.000 1.781 583 C CB -1.358 26.423 27.740 0.070 0.000 1.886 583 C HN 1.287 nan 8.230 nan 0.000 0.520 584 G N 1.182 109.867 108.800 -0.192 0.000 2.479 584 G HA2 -0.216 3.744 3.960 0.001 0.000 0.220 584 G HA3 -0.216 3.744 3.960 0.001 0.000 0.220 584 G C 1.432 175.995 174.900 -0.562 0.000 1.115 584 G CA 0.755 45.470 45.100 -0.643 0.000 0.757 584 G HN 0.554 nan 8.290 nan 0.000 0.560 585 N N 0.323 118.912 118.700 -0.186 0.000 2.331 585 N HA 0.028 4.768 4.740 0.001 0.000 0.180 585 N C 0.905 176.439 175.510 0.040 0.000 1.019 585 N CA 0.144 53.223 53.050 0.047 0.000 0.881 585 N CB 0.042 38.600 38.487 0.118 0.000 0.972 585 N HN 0.300 nan 8.380 nan 0.000 0.435 586 I N 3.154 123.748 120.570 0.041 0.000 2.505 586 I HA 0.028 4.198 4.170 0.001 0.000 0.287 586 I C -1.289 174.927 176.117 0.165 0.000 1.104 586 I CA -0.953 60.403 61.300 0.093 0.000 1.387 586 I CB 1.217 39.240 38.000 0.037 0.000 1.404 586 I HN -0.043 nan 8.210 nan 0.000 0.528 587 P HA 0.045 nan 4.420 nan 0.000 0.257 587 P C 0.323 177.706 177.300 0.138 0.000 1.241 587 P CA 0.263 63.431 63.100 0.113 0.000 0.816 587 P CB 0.210 31.935 31.700 0.043 0.000 1.150 588 T N -2.239 112.431 114.554 0.193 0.000 2.912 588 T HA 0.669 5.019 4.350 0.001 0.000 0.280 588 T C 0.197 175.009 174.700 0.187 0.000 0.989 588 T CA -0.856 61.341 62.100 0.163 0.000 0.995 588 T CB 1.196 70.141 68.868 0.129 0.000 1.077 588 T HN 0.058 nan 8.240 nan 0.000 0.531 589 A N 1.986 124.850 122.820 0.074 0.000 2.350 589 A HA 0.584 4.905 4.320 0.001 0.000 0.293 589 A C -0.566 176.957 177.584 -0.101 0.000 1.231 589 A CA -0.832 51.194 52.037 -0.018 0.000 0.883 589 A CB -1.035 17.984 19.000 0.032 0.000 1.133 589 A HN 0.871 nan 8.150 nan 0.000 0.533 590 Y N -0.274 119.921 120.300 -0.176 0.000 2.499 590 Y HA 0.719 5.269 4.550 0.001 0.000 0.347 590 Y C 0.747 176.509 175.900 -0.231 0.000 0.987 590 Y CA -0.684 57.120 58.100 -0.493 0.000 1.044 590 Y CB 1.448 39.367 38.460 -0.901 0.000 1.245 590 Y HN 0.366 nan 8.280 nan 0.000 0.461 591 G N 0.748 109.467 108.800 -0.136 0.000 2.673 591 G HA2 0.377 4.337 3.960 0.001 0.000 0.208 591 G HA3 0.377 4.337 3.960 0.001 0.000 0.208 591 G C 0.462 175.459 174.900 0.161 0.000 1.128 591 G CA 0.186 45.412 45.100 0.209 0.000 0.805 591 G HN 0.952 nan 8.290 nan 0.000 0.526 592 A N 0.703 123.444 122.820 -0.131 0.000 2.346 592 A HA 0.478 4.799 4.320 0.001 0.000 0.252 592 A C -0.109 177.365 177.584 -0.184 0.000 1.089 592 A CA -0.465 51.371 52.037 -0.335 0.000 0.797 592 A CB 0.043 18.869 19.000 -0.290 0.000 1.047 592 A HN 0.363 nan 8.150 nan 0.000 0.494 593 N N 1.727 120.186 118.700 -0.403 0.000 2.468 593 N HA 0.265 5.006 4.740 0.001 0.000 0.265 593 N C -2.066 173.328 175.510 -0.194 0.000 1.199 593 N CA -0.955 51.827 53.050 -0.448 0.000 0.928 593 N CB 0.533 38.848 38.487 -0.286 0.000 1.059 593 N HN 0.402 nan 8.380 nan 0.000 0.467 594 P HA 0.006 nan 4.420 nan 0.000 0.245 594 P C 0.446 177.635 177.300 -0.185 0.000 1.206 594 P CA 0.601 63.577 63.100 -0.207 0.000 0.781 594 P CB 0.332 31.868 31.700 -0.274 0.000 0.994 595 T N 0.811 115.331 114.554 -0.058 0.000 2.788 595 T HA -0.118 4.232 4.350 0.001 0.000 0.268 595 T C 1.724 176.493 174.700 0.116 0.000 1.044 595 T CA 0.915 63.039 62.100 0.041 0.000 1.139 595 T CB -0.716 68.199 68.868 0.078 0.000 0.867 595 T HN 0.032 nan 8.240 nan 0.000 0.454 596 L N 1.015 122.314 121.223 0.126 0.000 2.093 596 L HA -0.054 4.286 4.340 0.001 0.000 0.208 596 L C 2.465 179.397 176.870 0.104 0.000 1.085 596 L CA 1.670 56.643 54.840 0.222 0.000 0.755 596 L CB -0.929 41.252 42.059 0.204 0.000 0.904 596 L HN 0.156 nan 8.230 nan 0.000 0.435 597 T N -0.379 114.104 114.554 -0.117 0.000 2.777 597 T HA -0.091 4.259 4.350 0.001 0.000 0.266 597 T C 1.917 176.532 174.700 -0.142 0.000 1.040 597 T CA 1.146 63.092 62.100 -0.256 0.000 1.141 597 T CB -0.441 67.854 68.868 -0.955 0.000 0.868 597 T HN 0.506 nan 8.240 nan 0.000 0.444 598 A N 1.565 124.307 122.820 -0.130 0.000 1.940 598 A HA -0.086 4.234 4.320 0.001 0.000 0.219 598 A C 2.302 179.854 177.584 -0.053 0.000 1.176 598 A CA 1.834 53.836 52.037 -0.059 0.000 0.631 598 A CB -0.722 18.262 19.000 -0.026 0.000 0.814 598 A HN 0.533 nan 8.150 nan 0.000 0.446 599 M N -0.318 119.257 119.600 -0.041 0.000 2.132 599 M HA -0.135 4.345 4.480 0.001 0.000 0.263 599 M C 2.132 178.341 176.300 -0.152 0.000 1.065 599 M CA 2.089 57.338 55.300 -0.086 0.000 1.122 599 M CB -0.160 32.397 32.600 -0.072 0.000 1.365 599 M HN 0.371 nan 8.290 nan 0.000 0.411 600 S N 1.264 116.873 115.700 -0.152 0.000 2.359 600 S HA -0.152 4.319 4.470 0.001 0.000 0.224 600 S C 1.767 176.170 174.600 -0.328 0.000 1.035 600 S CA 1.543 59.584 58.200 -0.266 0.000 1.018 600 S CB -0.624 62.373 63.200 -0.339 0.000 0.876 600 S HN 0.525 nan 8.310 nan 0.000 0.448 601 L N 1.029 122.101 121.223 -0.253 0.000 2.083 601 L HA -0.152 4.188 4.340 0.001 0.000 0.209 601 L C 2.771 179.512 176.870 -0.216 0.000 1.083 601 L CA 1.195 55.894 54.840 -0.235 0.000 0.752 601 L CB -0.696 41.297 42.059 -0.110 0.000 0.899 601 L HN 0.339 nan 8.230 nan 0.000 0.433 602 A N 0.251 122.937 122.820 -0.224 0.000 1.930 602 A HA -0.140 4.181 4.320 0.001 0.000 0.217 602 A C 2.213 179.481 177.584 -0.527 0.000 1.175 602 A CA 1.224 53.021 52.037 -0.400 0.000 0.627 602 A CB -0.551 18.231 19.000 -0.363 0.000 0.815 602 A HN 0.326 nan 8.150 nan 0.000 0.443 603 I N -0.359 119.990 120.570 -0.367 0.000 2.127 603 I HA -0.317 3.854 4.170 0.001 0.000 0.241 603 I C 2.568 178.519 176.117 -0.276 0.000 1.075 603 I CA 2.067 63.182 61.300 -0.307 0.000 1.334 603 I CB -0.294 37.538 38.000 -0.280 0.000 1.040 603 I HN 0.386 nan 8.210 nan 0.000 0.405 604 K N 0.544 120.780 120.400 -0.273 0.000 2.063 604 K HA -0.227 4.094 4.320 0.001 0.000 0.208 604 K C 2.351 178.867 176.600 -0.142 0.000 1.048 604 K CA 1.840 57.998 56.287 -0.215 0.000 0.928 604 K CB -0.135 32.205 32.500 -0.267 0.000 0.713 604 K HN 0.132 nan 8.250 nan 0.000 0.442 605 S N -0.089 115.510 115.700 -0.168 0.000 2.370 605 S HA -0.171 4.299 4.470 0.001 0.000 0.226 605 S C 2.025 176.542 174.600 -0.139 0.000 1.033 605 S CA 1.478 59.627 58.200 -0.084 0.000 1.011 605 S CB -0.459 62.729 63.200 -0.019 0.000 0.852 605 S HN 0.575 nan 8.310 nan 0.000 0.457 606 C N 1.428 120.556 119.300 -0.286 0.000 2.435 606 C HA 0.024 4.484 4.460 0.001 0.000 0.279 606 C C 2.484 177.392 174.990 -0.137 0.000 1.321 606 C CA 0.633 59.494 59.018 -0.262 0.000 1.752 606 C CB -1.436 26.106 27.740 -0.331 0.000 1.959 606 C HN 0.680 nan 8.230 nan 0.000 0.500 607 E N -0.475 119.668 120.200 -0.094 0.000 2.077 607 E HA -0.261 4.089 4.350 0.001 0.000 0.193 607 E C 1.834 178.443 176.600 0.016 0.000 0.989 607 E CA 1.540 57.916 56.400 -0.039 0.000 0.800 607 E CB -0.334 29.338 29.700 -0.047 0.000 0.746 607 E HN 0.823 nan 8.360 nan 0.000 0.452 608 Y N 1.318 121.588 120.300 -0.050 0.000 2.128 608 Y HA -0.248 4.302 4.550 0.001 0.000 0.284 608 Y C 2.027 177.960 175.900 0.055 0.000 1.154 608 Y CA 1.617 59.732 58.100 0.025 0.000 1.149 608 Y CB -0.137 38.376 38.460 0.088 0.000 0.976 608 Y HN -0.055 nan 8.280 nan 0.000 0.505 609 I N 0.387 120.997 120.570 0.068 0.000 2.208 609 I HA -0.351 3.819 4.170 0.001 0.000 0.245 609 I C 2.278 178.431 176.117 0.059 0.000 1.097 609 I CA 1.727 63.037 61.300 0.017 0.000 1.363 609 I CB -0.406 37.394 38.000 -0.333 0.000 1.051 609 I HN 0.201 nan 8.210 nan 0.000 0.413 610 K N 0.290 120.690 120.400 0.001 0.000 2.209 610 K HA -0.189 4.132 4.320 0.001 0.000 0.204 610 K C 1.926 178.568 176.600 0.070 0.000 1.048 610 K CA 1.151 57.505 56.287 0.111 0.000 0.940 610 K CB -0.105 32.441 32.500 0.077 0.000 0.729 610 K HN 0.414 nan 8.250 nan 0.000 0.451 611 Q N -0.258 119.510 119.800 -0.053 0.000 2.425 611 Q HA 0.085 4.425 4.340 0.001 0.000 0.204 611 Q C 0.892 176.771 176.000 -0.201 0.000 0.933 611 Q CA 0.456 56.188 55.803 -0.118 0.000 0.939 611 Q CB 0.520 29.162 28.738 -0.159 0.000 1.044 611 Q HN 0.232 nan 8.270 nan 0.000 0.513 612 N N -1.093 117.464 118.700 -0.237 0.000 2.145 612 N HA 0.163 4.904 4.740 0.001 0.000 0.219 612 N C -1.017 174.089 175.510 -0.673 0.000 1.266 612 N CA 0.265 53.027 53.050 -0.479 0.000 0.902 612 N CB 1.134 39.175 38.487 -0.742 0.000 1.078 612 N HN 0.012 nan 8.380 nan 0.000 0.513 613 F N 0.360 120.330 119.950 0.033 0.000 2.591 613 F HA 0.335 4.862 4.527 0.001 0.000 0.309 613 F C -0.057 175.866 175.800 0.206 0.000 1.098 613 F CA -0.684 57.393 58.000 0.130 0.000 0.937 613 F CB 1.873 40.963 39.000 0.151 0.000 1.250 613 F HN -0.378 nan 8.300 nan 0.000 0.447 614 T N 3.954 118.678 114.554 0.283 0.000 2.795 614 T HA 0.430 4.780 4.350 0.001 0.000 0.282 614 T C -2.577 172.125 174.700 0.003 0.000 0.980 614 T CA -1.428 60.727 62.100 0.091 0.000 1.012 614 T CB 1.211 70.096 68.868 0.027 0.000 0.936 614 T HN 0.155 nan 8.240 nan 0.000 0.457 615 P HA 0.151 nan 4.420 nan 0.000 0.269 615 P C -0.026 177.182 177.300 -0.154 0.000 1.209 615 P CA -0.484 62.342 63.100 -0.457 0.000 0.776 615 P CB 0.321 31.544 31.700 -0.794 0.000 0.876 616 S N 2.493 118.149 115.700 -0.072 0.000 2.572 616 S HA 0.278 4.748 4.470 0.001 0.000 0.279 616 S C -2.235 172.349 174.600 -0.026 0.000 1.341 616 S CA -0.952 57.231 58.200 -0.028 0.000 1.043 616 S CB -0.968 62.224 63.200 -0.013 0.000 0.887 616 S HN 0.295 nan 8.310 nan 0.000 0.516 617 P HA 0.180 nan 4.420 nan 0.000 0.271 617 P C -0.596 176.781 177.300 0.127 0.000 1.216 617 P CA -0.498 62.632 63.100 0.050 0.000 0.776 617 P CB 0.121 31.844 31.700 0.039 0.000 0.881 618 F N 3.407 123.340 119.950 -0.028 0.000 2.494 618 F HA 0.270 4.797 4.527 0.001 0.000 0.369 618 F C 0.564 176.356 175.800 -0.013 0.000 1.098 618 F CA 0.324 58.314 58.000 -0.017 0.000 1.154 618 F CB -0.474 38.518 39.000 -0.014 0.000 1.103 618 F HN 0.162 nan 8.300 nan 0.000 0.549 619 T N 0.000 114.840 114.554 0.476 0.000 3.816 619 T HA 0.000 4.350 4.350 0.001 0.000 0.228 619 T CA 0.000 62.249 62.100 0.248 0.000 1.349 619 T CB 0.000 68.932 68.868 0.107 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658