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_H 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 0.000 176.260 176.300 -0.067 0.000 1.140 43 M CA 0.000 55.290 55.300 -0.017 0.000 0.988 43 M CB 0.000 32.474 32.600 -0.210 0.000 1.302 44 D N 1.353 121.739 120.400 -0.023 0.000 2.346 44 D HA 0.217 4.857 4.640 0.000 0.000 0.236 44 D C 1.197 177.419 176.300 -0.131 0.000 1.259 44 D CA 0.245 54.151 54.000 -0.157 0.000 0.898 44 D CB 0.785 41.340 40.800 -0.409 0.000 1.178 44 D HN 0.600 nan 8.370 nan 0.000 0.457 45 I N -2.892 117.591 120.570 -0.144 0.000 4.009 45 I HA 0.260 4.430 4.170 0.000 0.000 0.331 45 I C 0.044 176.120 176.117 -0.068 0.000 1.462 45 I CA -0.538 60.740 61.300 -0.036 0.000 1.117 45 I CB -0.172 37.829 38.000 0.002 0.000 1.091 45 I HN -0.050 nan 8.210 nan 0.000 0.410 46 K N 1.198 121.402 120.400 -0.327 0.000 2.450 46 K HA 0.584 4.904 4.320 0.000 0.000 0.257 46 K C -1.821 174.401 176.600 -0.629 0.000 0.953 46 K CA -0.530 55.579 56.287 -0.297 0.000 0.844 46 K CB 0.709 33.112 32.500 -0.162 0.000 1.103 46 K HN 0.149 nan 8.250 nan 0.000 0.429 47 Y N 1.062 121.347 120.300 -0.025 0.000 2.630 47 Y HA 0.289 4.840 4.550 0.000 0.000 0.337 47 Y C 0.908 176.779 175.900 -0.048 0.000 1.051 47 Y CA -0.784 57.291 58.100 -0.041 0.000 1.121 47 Y CB 1.612 40.041 38.460 -0.051 0.000 1.299 47 Y HN 0.557 nan 8.280 nan 0.000 0.498 48 D N 0.062 120.547 120.400 0.141 0.000 2.103 48 D HA 0.022 4.662 4.640 0.000 0.000 0.199 48 D C -0.297 176.001 176.300 -0.002 0.000 0.978 48 D CA 1.440 55.506 54.000 0.110 0.000 0.829 48 D CB 0.235 41.172 40.800 0.228 0.000 0.981 48 D HN 0.121 nan 8.370 nan 0.000 0.464 49 V N 1.098 121.002 119.914 -0.015 0.000 2.638 49 V HA 0.387 4.507 4.120 0.000 0.000 0.306 49 V C -0.286 175.712 176.094 -0.161 0.000 1.052 49 V CA -1.053 61.146 62.300 -0.169 0.000 0.885 49 V CB 2.497 34.197 31.823 -0.205 0.000 0.999 49 V HN -0.010 nan 8.190 nan 0.000 0.424 50 V N 2.741 122.516 119.914 -0.232 0.000 2.555 50 V HA 0.759 4.879 4.120 0.000 0.000 0.302 50 V C -0.673 175.359 176.094 -0.104 0.000 1.038 50 V CA -0.613 61.602 62.300 -0.142 0.000 0.887 50 V CB 1.769 33.583 31.823 -0.015 0.000 0.991 50 V HN 0.696 nan 8.190 nan 0.000 0.434 51 I N 4.084 124.615 120.570 -0.065 0.000 2.436 51 I HA 0.498 4.668 4.170 0.000 0.000 0.289 51 I C -0.665 175.469 176.117 0.027 0.000 1.010 51 I CA -0.955 60.296 61.300 -0.081 0.000 1.098 51 I CB 2.310 40.246 38.000 -0.107 0.000 1.266 51 I HN 0.444 nan 8.210 nan 0.000 0.434 52 V N 5.338 125.257 119.914 0.008 0.000 2.333 52 V HA 0.802 4.922 4.120 0.000 0.000 0.274 52 V C 0.424 176.523 176.094 0.008 0.000 1.028 52 V CA -0.287 62.043 62.300 0.050 0.000 0.851 52 V CB 0.640 32.468 31.823 0.009 0.000 1.000 52 V HN 1.063 nan 8.190 nan 0.000 0.456 53 G N 3.905 112.726 108.800 0.034 0.000 3.069 53 G HA2 0.002 3.962 3.960 0.000 0.000 0.686 53 G HA3 0.002 3.962 3.960 0.000 0.000 0.686 53 G C -0.099 174.814 174.900 0.021 0.000 1.161 53 G CA -0.250 44.861 45.100 0.018 0.000 0.804 53 G HN 1.309 nan 8.290 nan 0.000 0.608 54 S N 1.065 116.781 115.700 0.026 0.000 2.651 54 S HA 0.623 5.093 4.470 0.000 0.000 0.246 54 S C 1.227 175.835 174.600 0.014 0.000 1.039 54 S CA 0.687 58.908 58.200 0.036 0.000 1.013 54 S CB 0.640 63.874 63.200 0.056 0.000 0.861 54 S HN 1.905 nan 8.310 nan 0.000 0.485 55 G N 2.581 111.379 108.800 -0.004 0.000 2.553 55 G HA2 0.427 4.387 3.960 0.000 0.000 0.278 55 G HA3 0.427 4.387 3.960 0.000 0.000 0.278 55 G C -1.247 173.628 174.900 -0.042 0.000 1.349 55 G CA -1.409 43.670 45.100 -0.034 0.000 1.037 55 G HN 0.241 nan 8.290 nan 0.000 0.508 56 P HA -0.037 nan 4.420 nan 0.000 0.223 56 P C 1.644 178.885 177.300 -0.098 0.000 1.151 56 P CA 0.638 63.685 63.100 -0.087 0.000 0.787 56 P CB 0.228 31.895 31.700 -0.055 0.000 0.788 57 I N 0.255 120.801 120.570 -0.039 0.000 2.277 57 I HA -0.030 4.140 4.170 0.000 0.000 0.243 57 I C 2.720 178.894 176.117 0.095 0.000 1.094 57 I CA 1.586 62.897 61.300 0.018 0.000 1.393 57 I CB -2.286 35.750 38.000 0.061 0.000 1.078 57 I HN -0.004 nan 8.210 nan 0.000 0.417 58 G N 0.302 109.134 108.800 0.052 0.000 2.442 58 G HA2 -0.231 3.729 3.960 0.000 0.000 0.219 58 G HA3 -0.231 3.729 3.960 0.000 0.000 0.219 58 G C 1.759 176.654 174.900 -0.009 0.000 1.141 58 G CA 0.960 46.081 45.100 0.035 0.000 0.763 58 G HN 0.403 nan 8.290 nan 0.000 0.554 59 C N 0.626 119.896 119.300 -0.050 0.000 2.432 59 C HA 0.027 4.487 4.460 0.000 0.000 0.280 59 C C 3.171 178.026 174.990 -0.225 0.000 1.353 59 C CA 1.365 60.309 59.018 -0.124 0.000 1.766 59 C CB -0.958 26.757 27.740 -0.041 0.000 1.924 59 C HN 0.449 nan 8.230 nan 0.000 0.509 60 T N -0.001 114.451 114.554 -0.170 0.000 2.737 60 T HA -0.153 4.197 4.350 0.000 0.000 0.265 60 T C 1.463 176.008 174.700 -0.259 0.000 1.038 60 T CA 1.582 63.550 62.100 -0.220 0.000 1.144 60 T CB -0.428 68.332 68.868 -0.180 0.000 0.866 60 T HN 0.557 nan 8.240 nan 0.000 0.434 61 Y N 1.540 121.696 120.300 -0.240 0.000 2.165 61 Y HA -0.090 4.460 4.550 0.000 0.000 0.286 61 Y C 2.748 178.426 175.900 -0.369 0.000 1.155 61 Y CA 0.967 58.905 58.100 -0.270 0.000 1.164 61 Y CB -0.637 37.685 38.460 -0.230 0.000 0.978 61 Y HN 0.204 nan 8.280 nan 0.000 0.513 62 A N 0.125 122.747 122.820 -0.331 0.000 1.873 62 A HA -0.213 4.107 4.320 0.000 0.000 0.215 62 A C 2.289 179.296 177.584 -0.961 0.000 1.186 62 A CA 1.721 53.324 52.037 -0.724 0.000 0.616 62 A CB -0.743 17.622 19.000 -1.058 0.000 0.823 62 A HN 0.414 nan 8.150 nan 0.000 0.442 63 R N -0.384 119.604 120.500 -0.853 0.000 2.083 63 R HA -0.174 4.167 4.340 0.000 0.000 0.237 63 R C 2.042 178.127 176.300 -0.359 0.000 1.137 63 R CA 1.832 57.580 56.100 -0.586 0.000 0.951 63 R CB -0.259 29.730 30.300 -0.518 0.000 0.851 63 R HN 0.578 nan 8.270 nan 0.000 0.434 64 E N 0.296 120.316 120.200 -0.300 0.000 2.072 64 E HA -0.161 4.190 4.350 0.000 0.000 0.191 64 E C 2.122 178.650 176.600 -0.121 0.000 0.985 64 E CA 1.186 57.485 56.400 -0.169 0.000 0.801 64 E CB -0.022 29.570 29.700 -0.178 0.000 0.750 64 E HN 0.421 nan 8.360 nan 0.000 0.452 65 L N 0.211 121.333 121.223 -0.168 0.000 2.202 65 L HA -0.046 4.294 4.340 0.000 0.000 0.205 65 L C 2.514 179.424 176.870 0.067 0.000 1.083 65 L CA 0.204 54.995 54.840 -0.081 0.000 0.790 65 L CB -0.245 41.654 42.059 -0.267 0.000 0.942 65 L HN -0.062 nan 8.230 nan 0.000 0.452 66 V N 0.701 120.565 119.914 -0.084 0.000 2.287 66 V HA -0.227 3.893 4.120 0.000 0.000 0.248 66 V C 2.652 178.768 176.094 0.037 0.000 1.053 66 V CA 2.155 64.446 62.300 -0.014 0.000 1.027 66 V CB -1.303 30.447 31.823 -0.122 0.000 0.646 66 V HN 0.569 nan 8.190 nan 0.000 0.447 67 G N -0.533 108.265 108.800 -0.003 0.000 2.432 67 G HA2 -0.151 3.809 3.960 0.000 0.000 0.219 67 G HA3 -0.151 3.809 3.960 0.000 0.000 0.219 67 G C 1.460 176.390 174.900 0.049 0.000 1.135 67 G CA 0.867 45.981 45.100 0.024 0.000 0.767 67 G HN 0.653 nan 8.290 nan 0.000 0.550 68 A N -0.519 122.355 122.820 0.090 0.000 2.251 68 A HA 0.495 4.815 4.320 0.000 0.000 0.209 68 A C 1.870 179.475 177.584 0.035 0.000 1.187 68 A CA 1.177 53.282 52.037 0.113 0.000 0.823 68 A CB -0.353 18.790 19.000 0.237 0.000 0.846 68 A HN 1.561 nan 8.150 nan 0.000 0.486 69 G N -2.166 106.661 108.800 0.043 0.000 2.141 69 G HA2 -0.259 3.701 3.960 0.000 0.000 0.231 69 G HA3 -0.259 3.701 3.960 0.000 0.000 0.231 69 G C -0.100 174.722 174.900 -0.128 0.000 0.984 69 G CA 0.067 45.141 45.100 -0.042 0.000 0.660 69 G HN 0.390 nan 8.290 nan 0.000 0.525 70 Y N 0.425 120.721 120.300 -0.008 0.000 2.336 70 Y HA 0.443 4.993 4.550 0.000 0.000 0.331 70 Y C 1.077 176.964 175.900 -0.021 0.000 1.211 70 Y CA -0.029 58.063 58.100 -0.014 0.000 1.346 70 Y CB 0.818 39.262 38.460 -0.027 0.000 1.271 70 Y HN 0.099 nan 8.280 nan 0.000 0.538 71 K N 3.015 123.484 120.400 0.114 0.000 2.292 71 K HA 0.410 4.731 4.320 0.000 0.000 0.290 71 K C -1.568 175.128 176.600 0.160 0.000 1.083 71 K CA -0.146 56.190 56.287 0.081 0.000 0.918 71 K CB 0.008 32.522 32.500 0.023 0.000 1.089 71 K HN 0.499 nan 8.250 nan 0.000 0.473 72 V N 3.198 123.182 119.914 0.117 0.000 2.513 72 V HA 0.622 4.743 4.120 0.000 0.000 0.299 72 V C -0.286 175.674 176.094 -0.223 0.000 1.035 72 V CA -0.950 61.366 62.300 0.026 0.000 0.889 72 V CB 1.427 33.315 31.823 0.108 0.000 0.988 72 V HN 0.888 nan 8.190 nan 0.000 0.440 73 A N 5.498 128.012 122.820 -0.509 0.000 2.350 73 A HA 0.951 5.271 4.320 0.000 0.000 0.324 73 A C -0.701 176.485 177.584 -0.663 0.000 1.118 73 A CA -0.641 50.860 52.037 -0.894 0.000 0.783 73 A CB 1.697 19.765 19.000 -1.553 0.000 1.236 73 A HN 0.918 nan 8.150 nan 0.000 0.457 74 M N 2.073 121.214 119.600 -0.766 0.000 2.395 74 M HA 0.751 5.231 4.480 0.000 0.000 0.307 74 M C -2.175 173.776 176.300 -0.581 0.000 1.091 74 M CA -0.433 54.617 55.300 -0.417 0.000 0.919 74 M CB 1.290 33.847 32.600 -0.071 0.000 1.662 74 M HN 0.598 nan 8.290 nan 0.000 0.440 75 F N 2.160 122.095 119.950 -0.025 0.000 2.495 75 F HA 0.563 5.090 4.527 0.000 0.000 0.327 75 F C -0.174 175.620 175.800 -0.011 0.000 1.103 75 F CA -0.495 57.509 58.000 0.006 0.000 0.949 75 F CB 1.523 40.504 39.000 -0.031 0.000 1.142 75 F HN 0.458 nan 8.300 nan 0.000 0.457 76 D N 2.622 123.116 120.400 0.157 0.000 2.879 76 D HA 0.242 4.882 4.640 0.000 0.000 0.236 76 D C 0.517 176.841 176.300 0.040 0.000 1.171 76 D CA -0.353 53.688 54.000 0.069 0.000 0.868 76 D CB 2.533 43.357 40.800 0.039 0.000 1.598 76 D HN 0.644 nan 8.370 nan 0.000 0.497 77 I N 1.819 122.364 120.570 -0.042 0.000 2.614 77 I HA 0.033 4.203 4.170 0.000 0.000 0.258 77 I C 1.119 177.194 176.117 -0.069 0.000 1.189 77 I CA 0.779 62.011 61.300 -0.113 0.000 1.462 77 I CB 0.162 37.975 38.000 -0.312 0.000 1.092 77 I HN 0.333 nan 8.210 nan 0.000 0.442 78 G N -0.178 108.601 108.800 -0.034 0.000 2.557 78 G HA2 0.413 4.373 3.960 0.000 0.000 0.302 78 G HA3 0.413 4.373 3.960 0.000 0.000 0.302 78 G C -0.841 174.076 174.900 0.029 0.000 1.311 78 G CA -0.438 44.666 45.100 0.008 0.000 1.030 78 G HN 0.280 nan 8.290 nan 0.000 0.509 79 E N -1.438 118.785 120.200 0.039 0.000 2.299 79 E HA 0.385 4.735 4.350 0.000 0.000 0.260 79 E C -0.451 176.173 176.600 0.040 0.000 0.944 79 E CA -0.786 55.639 56.400 0.041 0.000 0.815 79 E CB 2.433 32.160 29.700 0.045 0.000 1.252 79 E HN 0.246 nan 8.360 nan 0.000 0.418 80 I N 2.523 123.115 120.570 0.037 0.000 2.517 80 I HA 0.000 4.170 4.170 0.000 0.000 0.285 80 I C -0.118 176.028 176.117 0.048 0.000 1.106 80 I CA 0.668 61.991 61.300 0.038 0.000 1.402 80 I CB 0.142 38.159 38.000 0.028 0.000 1.399 80 I HN 0.541 nan 8.210 nan 0.000 0.535 81 D N 3.104 123.539 120.400 0.058 0.000 3.279 81 D HA 0.021 4.661 4.640 0.000 0.000 0.336 81 D C -0.209 176.146 176.300 0.092 0.000 1.512 81 D CA -0.311 53.730 54.000 0.070 0.000 0.754 81 D CB -0.118 40.721 40.800 0.066 0.000 1.278 81 D HN 0.271 nan 8.370 nan 0.000 0.553 82 S N -0.132 115.625 115.700 0.095 0.000 2.664 82 S HA 0.641 5.111 4.470 0.000 0.000 0.245 82 S C 0.948 175.619 174.600 0.119 0.000 1.019 82 S CA -0.063 58.213 58.200 0.127 0.000 0.996 82 S CB 0.988 64.268 63.200 0.133 0.000 0.878 82 S HN 0.884 nan 8.310 nan 0.000 0.493 83 G N 1.695 110.551 108.800 0.093 0.000 2.545 83 G HA2 -0.208 3.752 3.960 0.000 0.000 0.216 83 G HA3 -0.208 3.752 3.960 0.000 0.000 0.216 83 G C 0.198 175.133 174.900 0.058 0.000 1.314 83 G CA -0.373 44.774 45.100 0.079 0.000 0.906 83 G HN 0.291 nan 8.290 nan 0.000 0.563 84 L N 0.322 121.573 121.223 0.048 0.000 2.395 84 L HA 0.156 4.496 4.340 0.000 0.000 0.218 84 L C 1.398 178.281 176.870 0.022 0.000 1.130 84 L CA 0.854 55.710 54.840 0.028 0.000 0.826 84 L CB -0.309 41.761 42.059 0.019 0.000 0.941 84 L HN 0.284 nan 8.230 nan 0.000 0.451 85 K N 1.834 122.257 120.400 0.038 0.000 2.250 85 K HA 0.349 4.669 4.320 0.000 0.000 0.280 85 K C -0.283 176.339 176.600 0.037 0.000 1.098 85 K CA -0.240 56.065 56.287 0.031 0.000 0.916 85 K CB 0.957 33.490 32.500 0.054 0.000 1.209 85 K HN 0.085 nan 8.250 nan 0.000 0.461 86 I N 1.820 122.394 120.570 0.008 0.000 2.618 86 I HA -0.062 4.108 4.170 0.000 0.000 0.284 86 I C 1.357 177.490 176.117 0.027 0.000 1.146 86 I CA 0.706 62.015 61.300 0.015 0.000 1.425 86 I CB 0.413 38.410 38.000 -0.005 0.000 1.383 86 I HN 0.946 nan 8.210 nan 0.000 0.562 87 G N 4.395 113.223 108.800 0.046 0.000 2.179 87 G HA2 -0.212 3.748 3.960 0.000 0.000 0.257 87 G HA3 -0.212 3.748 3.960 0.000 0.000 0.257 87 G C 0.303 175.252 174.900 0.081 0.000 1.010 87 G CA 0.170 45.302 45.100 0.053 0.000 0.736 87 G HN 0.973 nan 8.290 nan 0.000 0.513 88 A N -0.560 122.325 122.820 0.109 0.000 2.257 88 A HA 0.643 4.963 4.320 0.000 0.000 0.289 88 A C 0.557 178.271 177.584 0.217 0.000 1.095 88 A CA -0.383 51.757 52.037 0.171 0.000 0.836 88 A CB 0.351 19.452 19.000 0.168 0.000 1.111 88 A HN 0.619 nan 8.150 nan 0.000 0.497 89 H N 0.485 119.694 119.070 0.233 0.000 2.848 89 H HA 0.107 4.663 4.556 0.000 0.000 0.317 89 H C 0.673 176.145 175.328 0.240 0.000 1.046 89 H CA 0.683 56.888 56.048 0.262 0.000 1.470 89 H CB 0.800 30.741 29.762 0.298 0.000 1.483 89 H HN 0.661 nan 8.280 nan 0.000 0.548 90 K N 3.531 124.163 120.400 0.387 0.000 2.442 90 K HA -0.099 4.221 4.320 0.000 0.000 0.198 90 K C 1.620 178.506 176.600 0.477 0.000 1.042 90 K CA 0.610 57.171 56.287 0.457 0.000 0.958 90 K CB 0.394 33.163 32.500 0.448 0.000 0.766 90 K HN 0.401 nan 8.250 nan 0.000 0.474 91 K N 0.986 121.552 120.400 0.276 0.000 2.487 91 K HA 0.011 4.332 4.320 0.000 0.000 0.192 91 K C 0.314 176.973 176.600 0.098 0.000 1.027 91 K CA 0.317 56.441 56.287 -0.272 0.000 1.054 91 K CB 0.267 32.180 32.500 -0.978 0.000 0.824 91 K HN -0.016 nan 8.250 nan 0.000 0.510 92 N N 1.821 120.689 118.700 0.279 0.000 2.623 92 N HA -0.018 4.722 4.740 0.000 0.000 0.263 92 N C -0.814 175.006 175.510 0.518 0.000 1.218 92 N CA 0.284 53.554 53.050 0.367 0.000 0.949 92 N CB 0.660 39.385 38.487 0.396 0.000 1.270 92 N HN 0.254 nan 8.380 nan 0.000 0.507 93 T N -4.285 110.544 114.554 0.459 0.000 2.888 93 T HA 0.340 4.690 4.350 0.000 0.000 0.284 93 T C 1.483 176.438 174.700 0.425 0.000 1.017 93 T CA -0.771 61.563 62.100 0.390 0.000 1.022 93 T CB 1.663 70.702 68.868 0.285 0.000 1.013 93 T HN -0.187 nan 8.240 nan 0.000 0.465 94 V N 1.546 121.640 119.914 0.299 0.000 2.332 94 V HA -0.124 3.996 4.120 0.000 0.000 0.248 94 V C 2.794 178.987 176.094 0.164 0.000 1.055 94 V CA 2.409 64.861 62.300 0.253 0.000 1.038 94 V CB -0.983 30.899 31.823 0.097 0.000 0.651 94 V HN 1.048 nan 8.190 nan 0.000 0.450 95 E N -0.530 119.706 120.200 0.059 0.000 2.106 95 E HA -0.203 4.147 4.350 0.000 0.000 0.192 95 E C 1.991 178.550 176.600 -0.068 0.000 0.984 95 E CA 1.511 57.878 56.400 -0.056 0.000 0.806 95 E CB -0.285 29.319 29.700 -0.159 0.000 0.750 95 E HN 0.681 nan 8.360 nan 0.000 0.458 96 Y N 0.618 121.010 120.300 0.154 0.000 2.314 96 Y HA -0.003 4.547 4.550 0.000 0.000 0.293 96 Y C 2.123 178.077 175.900 0.089 0.000 1.129 96 Y CA 1.190 59.374 58.100 0.139 0.000 1.201 96 Y CB -0.114 38.441 38.460 0.158 0.000 0.999 96 Y HN 0.149 nan 8.280 nan 0.000 0.541 97 Q N -0.281 119.653 119.800 0.224 0.000 2.378 97 Q HA -0.093 4.247 4.340 0.000 0.000 0.205 97 Q C 1.717 177.798 176.000 0.135 0.000 0.954 97 Q CA 0.705 56.591 55.803 0.139 0.000 0.901 97 Q CB 0.030 28.800 28.738 0.053 0.000 0.981 97 Q HN 0.454 nan 8.270 nan 0.000 0.483 98 K N 0.340 120.820 120.400 0.134 0.000 2.305 98 K HA 0.039 4.359 4.320 0.000 0.000 0.199 98 K C 0.325 176.983 176.600 0.097 0.000 1.047 98 K CA 0.483 56.829 56.287 0.099 0.000 0.976 98 K CB 0.411 32.954 32.500 0.073 0.000 0.765 98 K HN 0.093 nan 8.250 nan 0.000 0.474 99 N N 1.345 120.123 118.700 0.129 0.000 2.723 99 N HA 0.073 4.813 4.740 0.000 0.000 0.290 99 N C 0.424 176.072 175.510 0.229 0.000 1.882 99 N CA 0.022 53.160 53.050 0.147 0.000 0.851 99 N CB 0.965 39.523 38.487 0.118 0.000 1.234 99 N HN 0.087 nan 8.380 nan 0.000 0.491 100 I N 0.284 120.971 120.570 0.195 0.000 2.248 100 I HA -0.277 3.893 4.170 0.000 0.000 0.248 100 I C 0.972 177.223 176.117 0.224 0.000 1.107 100 I CA 1.710 63.126 61.300 0.194 0.000 1.373 100 I CB 0.352 38.430 38.000 0.130 0.000 1.055 100 I HN 0.097 nan 8.210 nan 0.000 0.418 101 D N 1.054 121.583 120.400 0.216 0.000 2.263 101 D HA -0.164 4.476 4.640 0.000 0.000 0.208 101 D C 1.981 178.388 176.300 0.179 0.000 0.971 101 D CA 0.758 54.884 54.000 0.209 0.000 0.867 101 D CB -0.108 40.846 40.800 0.257 0.000 0.929 101 D HN 0.357 nan 8.370 nan 0.000 0.492 102 K N 0.118 120.664 120.400 0.243 0.000 2.283 102 K HA -0.078 4.242 4.320 0.000 0.000 0.202 102 K C 1.774 178.501 176.600 0.211 0.000 1.048 102 K CA 0.021 56.464 56.287 0.259 0.000 0.948 102 K CB -0.475 32.246 32.500 0.369 0.000 0.742 102 K HN 0.206 nan 8.250 nan 0.000 0.458 103 F N 1.491 121.442 119.950 0.002 0.000 2.333 103 F HA -0.155 4.372 4.527 0.000 0.000 0.300 103 F C 1.810 177.496 175.800 -0.191 0.000 1.083 103 F CA 0.500 58.318 58.000 -0.303 0.000 1.395 103 F CB -0.053 38.753 39.000 -0.323 0.000 1.056 103 F HN -0.294 nan 8.300 nan 0.000 0.529 104 V N 0.321 120.174 119.914 -0.101 0.000 2.469 104 V HA -0.359 3.761 4.120 0.000 0.000 0.251 104 V C 1.833 177.762 176.094 -0.276 0.000 1.064 104 V CA 2.362 64.549 62.300 -0.188 0.000 1.066 104 V CB -0.943 30.783 31.823 -0.161 0.000 0.667 104 V HN 0.381 nan 8.190 nan 0.000 0.461 105 N N -0.334 118.228 118.700 -0.229 0.000 2.188 105 N HA -0.116 4.624 4.740 0.000 0.000 0.184 105 N C 1.699 177.035 175.510 -0.289 0.000 1.018 105 N CA 1.131 54.063 53.050 -0.197 0.000 0.858 105 N CB -0.191 38.245 38.487 -0.084 0.000 0.989 105 N HN 0.297 nan 8.380 nan 0.000 0.426 106 V N 1.359 120.979 119.914 -0.490 0.000 2.295 106 V HA -0.232 3.888 4.120 0.000 0.000 0.246 106 V C 2.047 177.805 176.094 -0.560 0.000 1.049 106 V CA 1.485 63.427 62.300 -0.597 0.000 1.024 106 V CB -0.512 30.642 31.823 -1.114 0.000 0.648 106 V HN 0.291 nan 8.190 nan 0.000 0.447 107 I N -0.302 119.844 120.570 -0.708 0.000 2.091 107 I HA -0.375 3.795 4.170 0.000 0.000 0.239 107 I C 2.728 178.594 176.117 -0.418 0.000 1.061 107 I CA 1.945 62.880 61.300 -0.608 0.000 1.317 107 I CB -0.503 37.184 38.000 -0.521 0.000 1.031 107 I HN 0.358 nan 8.210 nan 0.000 0.401 108 Q N 0.309 119.921 119.800 -0.312 0.000 2.135 108 Q HA -0.176 4.164 4.340 0.000 0.000 0.204 108 Q C 2.288 178.191 176.000 -0.161 0.000 0.981 108 Q CA 1.589 57.266 55.803 -0.211 0.000 0.856 108 Q CB -0.485 28.146 28.738 -0.179 0.000 0.902 108 Q HN 0.682 nan 8.270 nan 0.000 0.425 109 G N 1.081 109.783 108.800 -0.164 0.000 2.509 109 G HA2 -0.224 3.736 3.960 0.000 0.000 0.218 109 G HA3 -0.224 3.736 3.960 0.000 0.000 0.218 109 G C 0.948 175.804 174.900 -0.074 0.000 1.124 109 G CA 0.666 45.705 45.100 -0.103 0.000 0.776 109 G HN 0.484 nan 8.290 nan 0.000 0.547 110 Q N -0.699 119.042 119.800 -0.099 0.000 2.115 110 Q HA 0.454 4.794 4.340 0.000 0.000 0.249 110 Q C -0.409 175.577 176.000 -0.023 0.000 0.830 110 Q CA -0.294 55.488 55.803 -0.034 0.000 1.104 110 Q CB 0.181 28.923 28.738 0.006 0.000 1.207 110 Q HN 0.231 nan 8.270 nan 0.000 0.464 111 L N 2.187 123.374 121.223 -0.060 0.000 2.319 111 L HA 0.546 4.886 4.340 0.000 0.000 0.281 111 L C -0.773 176.097 176.870 -0.001 0.000 1.005 111 L CA -0.778 54.046 54.840 -0.027 0.000 0.828 111 L CB 1.608 43.618 42.059 -0.083 0.000 1.227 111 L HN 0.260 nan 8.230 nan 0.000 0.415 112 M N 2.167 121.793 119.600 0.043 0.000 2.149 112 M HA 0.327 4.807 4.480 0.000 0.000 0.342 112 M C 0.058 176.392 176.300 0.056 0.000 1.068 112 M CA -0.497 54.833 55.300 0.051 0.000 0.991 112 M CB 1.211 33.865 32.600 0.089 0.000 1.596 112 M HN 0.340 nan 8.290 nan 0.000 0.439 113 S N 1.878 117.598 115.700 0.033 0.000 2.552 113 S HA 0.138 4.608 4.470 0.000 0.000 0.289 113 S C 1.663 176.295 174.600 0.053 0.000 1.304 113 S CA -0.514 57.706 58.200 0.034 0.000 1.063 113 S CB 0.862 64.070 63.200 0.012 0.000 0.848 113 S HN 0.539 nan 8.310 nan 0.000 0.499 114 V N 2.423 122.382 119.914 0.075 0.000 2.323 114 V HA 0.003 4.123 4.120 0.000 0.000 0.244 114 V C 1.199 177.294 176.094 0.000 0.000 1.041 114 V CA 1.448 63.784 62.300 0.060 0.000 1.025 114 V CB 0.035 31.932 31.823 0.122 0.000 0.656 114 V HN 0.796 nan 8.190 nan 0.000 0.451 115 S N -0.537 115.184 115.700 0.035 0.000 2.776 115 S HA 0.530 5.000 4.470 0.000 0.000 0.284 115 S C -1.138 173.462 174.600 -0.001 0.000 1.160 115 S CA -0.475 57.708 58.200 -0.029 0.000 1.051 115 S CB 1.488 64.635 63.200 -0.088 0.000 1.037 115 S HN 0.004 nan 8.310 nan 0.000 0.485 116 V N 7.756 127.656 119.914 -0.022 0.000 2.384 116 V HA 0.554 4.674 4.120 0.000 0.000 0.287 116 V C -1.988 174.086 176.094 -0.034 0.000 1.020 116 V CA -1.801 60.485 62.300 -0.023 0.000 0.850 116 V CB 1.432 33.241 31.823 -0.023 0.000 0.987 116 V HN 0.701 nan 8.190 nan 0.000 0.436 117 P HA 0.195 nan 4.420 nan 0.000 0.274 117 P C -0.210 177.062 177.300 -0.046 0.000 1.256 117 P CA -0.217 62.860 63.100 -0.038 0.000 0.795 117 P CB 0.803 32.482 31.700 -0.036 0.000 1.038 118 V N 2.036 121.926 119.914 -0.040 0.000 2.599 118 V HA -0.020 4.100 4.120 0.000 0.000 0.300 118 V C 1.226 177.266 176.094 -0.089 0.000 1.034 118 V CA 0.127 62.400 62.300 -0.046 0.000 1.115 118 V CB -0.607 31.211 31.823 -0.008 0.000 0.934 118 V HN 0.603 nan 8.190 nan 0.000 0.485 119 N N 3.510 122.149 118.700 -0.100 0.000 2.470 119 N HA 0.088 4.828 4.740 0.000 0.000 0.268 119 N C 0.578 175.916 175.510 -0.287 0.000 1.136 119 N CA 0.341 53.305 53.050 -0.143 0.000 0.961 119 N CB 1.528 39.960 38.487 -0.092 0.000 1.067 119 N HN 0.868 nan 8.380 nan 0.000 0.468 120 T N 1.064 115.335 114.554 -0.473 0.000 3.266 120 T HA 0.281 4.631 4.350 0.000 0.000 0.278 120 T C 0.766 175.023 174.700 -0.738 0.000 1.010 120 T CA -0.452 60.971 62.100 -1.129 0.000 0.909 120 T CB -0.461 67.861 68.868 -0.910 0.000 1.122 120 T HN 0.275 nan 8.240 nan 0.000 0.536 121 L N 2.008 123.057 121.223 -0.291 0.000 2.416 121 L HA 0.379 4.719 4.340 0.000 0.000 0.272 121 L C 0.047 176.971 176.870 0.091 0.000 1.161 121 L CA -0.778 54.010 54.840 -0.086 0.000 0.845 121 L CB 1.080 43.117 42.059 -0.036 0.000 1.119 121 L HN 0.096 nan 8.230 nan 0.000 0.464 122 V N 4.890 124.874 119.914 0.116 0.000 2.408 122 V HA 0.133 4.253 4.120 0.000 0.000 0.267 122 V C 0.196 176.356 176.094 0.110 0.000 1.047 122 V CA -0.451 61.963 62.300 0.190 0.000 0.937 122 V CB 1.363 33.282 31.823 0.159 0.000 0.999 122 V HN 0.399 nan 8.190 nan 0.000 0.472 123 V N 5.537 125.517 119.914 0.110 0.000 2.294 123 V HA 0.310 4.430 4.120 0.000 0.000 0.272 123 V C 0.305 176.429 176.094 0.050 0.000 1.027 123 V CA -0.424 61.917 62.300 0.068 0.000 0.823 123 V CB 1.226 33.090 31.823 0.069 0.000 1.030 123 V HN 1.062 nan 8.190 nan 0.000 0.457 124 D N 2.045 122.467 120.400 0.037 0.000 2.501 124 D HA 0.010 4.650 4.640 0.000 0.000 0.226 124 D C 1.111 177.420 176.300 0.016 0.000 1.198 124 D CA 0.172 54.186 54.000 0.022 0.000 0.830 124 D CB 0.388 41.200 40.800 0.020 0.000 1.014 124 D HN 0.546 nan 8.370 nan 0.000 0.496 125 T N -1.848 112.719 114.554 0.020 0.000 3.228 125 T HA 0.337 4.687 4.350 0.000 0.000 0.278 125 T C 0.668 175.380 174.700 0.020 0.000 1.014 125 T CA -0.566 61.544 62.100 0.017 0.000 0.904 125 T CB -0.276 68.602 68.868 0.017 0.000 1.110 125 T HN 0.015 nan 8.240 nan 0.000 0.541 126 L N 1.732 122.968 121.223 0.023 0.000 2.473 126 L HA 0.341 4.681 4.340 0.000 0.000 0.268 126 L C 1.141 178.022 176.870 0.020 0.000 1.215 126 L CA -0.600 54.256 54.840 0.028 0.000 0.823 126 L CB 0.390 42.470 42.059 0.036 0.000 1.099 126 L HN 0.229 nan 8.230 nan 0.000 0.483 127 S N 1.328 117.042 115.700 0.024 0.000 2.560 127 S HA 0.107 4.577 4.470 0.000 0.000 0.284 127 S C -1.455 173.153 174.600 0.013 0.000 1.327 127 S CA -1.058 57.153 58.200 0.019 0.000 1.055 127 S CB 0.805 64.020 63.200 0.024 0.000 0.868 127 S HN 0.389 nan 8.310 nan 0.000 0.506 128 P HA -0.086 nan 4.420 nan 0.000 0.220 128 P C 1.329 178.630 177.300 0.001 0.000 1.144 128 P CA 1.298 64.395 63.100 -0.006 0.000 0.800 128 P CB -0.188 31.508 31.700 -0.007 0.000 0.772 129 T N -5.680 108.883 114.554 0.015 0.000 3.055 129 T HA 0.084 4.434 4.350 0.000 0.000 0.265 129 T C 1.009 175.741 174.700 0.052 0.000 1.111 129 T CA 0.124 62.241 62.100 0.028 0.000 1.118 129 T CB -0.549 68.337 68.868 0.030 0.000 0.909 129 T HN -0.097 nan 8.240 nan 0.000 0.501 130 S N 1.229 116.963 115.700 0.058 0.000 2.565 130 S HA 0.318 4.788 4.470 0.000 0.000 0.276 130 S C -0.620 174.064 174.600 0.140 0.000 1.326 130 S CA -1.011 57.253 58.200 0.106 0.000 1.045 130 S CB 0.228 63.486 63.200 0.097 0.000 0.918 130 S HN 0.598 nan 8.310 nan 0.000 0.505 131 W N 3.346 124.653 121.300 0.012 0.000 2.322 131 W HA 0.148 4.808 4.660 0.000 0.000 0.328 131 W C 0.307 176.840 176.519 0.023 0.000 1.395 131 W CA 0.399 57.751 57.345 0.012 0.000 1.267 131 W CB 0.265 29.732 29.460 0.012 0.000 1.259 131 W HN 0.462 nan 8.180 nan 0.000 0.560 132 Q N 4.665 124.177 119.800 -0.479 0.000 2.347 132 Q HA 0.544 4.884 4.340 0.000 0.000 0.271 132 Q C -0.773 174.766 176.000 -0.769 0.000 1.064 132 Q CA -0.805 54.779 55.803 -0.365 0.000 0.800 132 Q CB 2.036 30.637 28.738 -0.228 0.000 1.304 132 Q HN 0.601 nan 8.270 nan 0.000 0.438 133 A N 1.985 124.584 122.820 -0.368 0.000 2.462 133 A HA 0.233 4.553 4.320 0.000 0.000 0.243 133 A C 0.627 178.040 177.584 -0.284 0.000 1.076 133 A CA 0.103 51.995 52.037 -0.243 0.000 0.773 133 A CB 0.472 19.547 19.000 0.126 0.000 1.010 133 A HN 0.836 nan 8.150 nan 0.000 0.493 134 S N -0.048 115.502 115.700 -0.250 0.000 2.503 134 S HA 0.104 4.574 4.470 0.000 0.000 0.217 134 S C 0.875 175.363 174.600 -0.186 0.000 0.999 134 S CA 0.857 58.934 58.200 -0.205 0.000 0.914 134 S CB -0.120 62.980 63.200 -0.167 0.000 0.782 134 S HN 1.101 nan 8.310 nan 0.000 0.520 135 T N -1.370 113.106 114.554 -0.130 0.000 2.865 135 T HA 0.636 4.986 4.350 0.000 0.000 0.294 135 T C -0.945 173.689 174.700 -0.111 0.000 1.119 135 T CA -0.770 61.256 62.100 -0.123 0.000 1.007 135 T CB 0.696 69.597 68.868 0.055 0.000 1.225 135 T HN -0.086 nan 8.240 nan 0.000 0.515 136 F N 2.947 122.976 119.950 0.132 0.000 2.605 136 F HA 0.391 4.918 4.527 0.000 0.000 0.352 136 F C 0.406 176.258 175.800 0.087 0.000 1.236 136 F CA -1.805 56.233 58.000 0.064 0.000 1.267 136 F CB -0.960 38.049 39.000 0.015 0.000 1.632 136 F HN 0.548 nan 8.300 nan 0.000 0.639 137 F N -0.855 119.195 119.950 0.168 0.000 2.399 137 F HA 0.578 5.105 4.527 0.000 0.000 0.313 137 F C -0.020 175.852 175.800 0.121 0.000 1.202 137 F CA -1.692 56.384 58.000 0.127 0.000 1.192 137 F CB -0.187 38.878 39.000 0.109 0.000 1.256 137 F HN -0.168 nan 8.300 nan 0.000 0.558 138 V N 2.701 122.754 119.914 0.232 0.000 2.450 138 V HA 0.270 4.390 4.120 0.000 0.000 0.281 138 V C 0.144 176.254 176.094 0.027 0.000 1.019 138 V CA 0.013 62.364 62.300 0.086 0.000 1.062 138 V CB -0.569 31.327 31.823 0.122 0.000 0.979 138 V HN 0.740 nan 8.190 nan 0.000 0.477 139 R N 3.676 124.095 120.500 -0.135 0.000 2.771 139 R HA 0.463 4.803 4.340 0.000 0.000 0.274 139 R C 0.145 176.398 176.300 -0.078 0.000 0.987 139 R CA -0.951 55.044 56.100 -0.176 0.000 0.908 139 R CB 1.351 31.411 30.300 -0.400 0.000 1.213 139 R HN 0.688 nan 8.270 nan 0.000 0.468 140 N N 0.611 119.288 118.700 -0.039 0.000 2.708 140 N HA -0.202 4.538 4.740 0.000 0.000 0.249 140 N C 0.438 175.935 175.510 -0.022 0.000 1.097 140 N CA 1.621 54.653 53.050 -0.030 0.000 0.710 140 N CB -1.107 37.355 38.487 -0.041 0.000 1.032 140 N HN 1.073 nan 8.380 nan 0.000 0.551 141 G N -1.791 107.002 108.800 -0.012 0.000 2.143 141 G HA2 -0.313 3.647 3.960 0.000 0.000 0.249 141 G HA3 -0.313 3.647 3.960 0.000 0.000 0.249 141 G C 0.270 175.163 174.900 -0.011 0.000 0.981 141 G CA 0.819 45.915 45.100 -0.006 0.000 0.665 141 G HN 1.270 nan 8.290 nan 0.000 0.528 142 S N -0.630 115.058 115.700 -0.020 0.000 2.593 142 S HA 0.518 4.988 4.470 0.000 0.000 0.269 142 S C 0.105 174.694 174.600 -0.018 0.000 1.334 142 S CA -0.008 58.177 58.200 -0.026 0.000 1.015 142 S CB 1.842 65.019 63.200 -0.038 0.000 0.912 142 S HN 0.665 nan 8.310 nan 0.000 0.541 143 N N 1.767 120.448 118.700 -0.031 0.000 2.501 143 N HA 0.387 5.127 4.740 0.000 0.000 0.245 143 N C -1.884 173.609 175.510 -0.028 0.000 0.974 143 N CA -2.533 50.492 53.050 -0.042 0.000 0.941 143 N CB 1.349 39.782 38.487 -0.089 0.000 1.122 143 N HN 0.338 nan 8.380 nan 0.000 0.507 144 P HA -0.016 nan 4.420 nan 0.000 0.233 144 P C 0.347 177.665 177.300 0.031 0.000 1.167 144 P CA 0.770 63.884 63.100 0.024 0.000 0.770 144 P CB 0.576 32.307 31.700 0.051 0.000 0.837 145 E N -0.165 120.039 120.200 0.006 0.000 2.285 145 E HA -0.094 4.256 4.350 0.000 0.000 0.194 145 E C 0.894 177.494 176.600 0.000 0.000 0.997 145 E CA 0.557 56.977 56.400 0.033 0.000 0.845 145 E CB -0.137 29.528 29.700 -0.057 0.000 0.782 145 E HN 0.293 nan 8.360 nan 0.000 0.491 146 Q N 2.312 122.078 119.800 -0.058 0.000 2.296 146 Q HA 0.009 4.349 4.340 0.000 0.000 0.263 146 Q C -0.771 175.231 176.000 0.004 0.000 1.026 146 Q CA -0.098 55.671 55.803 -0.057 0.000 0.912 146 Q CB 0.647 29.338 28.738 -0.077 0.000 1.198 146 Q HN -0.185 nan 8.270 nan 0.000 0.407 147 D N 6.151 126.573 120.400 0.037 0.000 2.358 147 D HA 0.041 4.682 4.640 0.000 0.000 0.258 147 D C -1.693 174.620 176.300 0.022 0.000 1.223 147 D CA -1.816 52.208 54.000 0.040 0.000 0.886 147 D CB 1.249 42.087 40.800 0.063 0.000 1.120 147 D HN 0.439 nan 8.370 nan 0.000 0.482 148 P HA -0.078 nan 4.420 nan 0.000 0.226 148 P C 1.303 178.602 177.300 -0.002 0.000 1.153 148 P CA 0.638 63.733 63.100 -0.008 0.000 0.777 148 P CB 0.342 32.026 31.700 -0.027 0.000 0.794 149 L N -1.165 120.061 121.223 0.006 0.000 2.592 149 L HA 0.155 4.495 4.340 0.000 0.000 0.227 149 L C 1.537 178.417 176.870 0.018 0.000 1.127 149 L CA 0.294 55.138 54.840 0.007 0.000 0.884 149 L CB -0.199 41.861 42.059 0.003 0.000 1.065 149 L HN -0.165 nan 8.230 nan 0.000 0.457 150 R N -0.169 120.351 120.500 0.033 0.000 2.776 150 R HA 0.216 4.556 4.340 0.000 0.000 0.391 150 R C -0.413 175.938 176.300 0.084 0.000 1.116 150 R CA -0.263 55.869 56.100 0.054 0.000 1.056 150 R CB 0.286 30.622 30.300 0.060 0.000 1.369 150 R HN 0.054 nan 8.270 nan 0.000 0.590 151 N N 0.564 119.290 118.700 0.042 0.000 2.483 151 N HA 0.380 5.120 4.740 0.000 0.000 0.285 151 N C -0.764 174.654 175.510 -0.154 0.000 1.210 151 N CA -0.637 52.421 53.050 0.012 0.000 0.931 151 N CB 1.232 39.725 38.487 0.010 0.000 1.220 151 N HN 0.084 nan 8.380 nan 0.000 0.542 152 L N 2.027 123.003 121.223 -0.411 0.000 2.417 152 L HA 0.216 4.556 4.340 0.000 0.000 0.258 152 L C 1.367 178.054 176.870 -0.305 0.000 1.088 152 L CA -0.281 54.199 54.840 -0.600 0.000 0.975 152 L CB 0.548 41.853 42.059 -1.257 0.000 1.341 152 L HN 0.649 nan 8.230 nan 0.000 0.431 153 S N -0.257 115.354 115.700 -0.148 0.000 2.442 153 S HA -0.114 4.356 4.470 0.000 0.000 0.236 153 S C 1.776 176.335 174.600 -0.068 0.000 1.007 153 S CA 0.957 59.115 58.200 -0.070 0.000 0.965 153 S CB -0.158 63.014 63.200 -0.046 0.000 0.773 153 S HN 0.647 nan 8.310 nan 0.000 0.504 154 G N 0.401 109.143 108.800 -0.096 0.000 2.712 154 G HA2 0.073 4.033 3.960 0.000 0.000 0.212 154 G HA3 0.073 4.033 3.960 0.000 0.000 0.212 154 G C 0.586 175.445 174.900 -0.068 0.000 1.142 154 G CA -0.256 44.799 45.100 -0.075 0.000 0.789 154 G HN 0.374 nan 8.290 nan 0.000 0.535 155 Q N 0.630 120.370 119.800 -0.098 0.000 2.311 155 Q HA 0.510 4.850 4.340 0.000 0.000 0.272 155 Q C -0.170 175.852 176.000 0.037 0.000 1.012 155 Q CA 0.245 56.019 55.803 -0.048 0.000 0.891 155 Q CB 1.394 30.082 28.738 -0.084 0.000 1.201 155 Q HN 0.279 nan 8.270 nan 0.000 0.391 156 A N 2.113 124.963 122.820 0.049 0.000 2.587 156 A HA 0.730 5.050 4.320 0.000 0.000 0.293 156 A C -0.995 176.641 177.584 0.088 0.000 1.087 156 A CA -0.595 51.479 52.037 0.061 0.000 0.692 156 A CB 1.371 20.389 19.000 0.031 0.000 1.291 156 A HN 0.462 nan 8.150 nan 0.000 0.407 157 V N -1.846 118.133 119.914 0.107 0.000 3.001 157 V HA 0.949 5.069 4.120 0.000 0.000 0.314 157 V C -0.389 175.794 176.094 0.148 0.000 1.099 157 V CA -0.520 61.867 62.300 0.144 0.000 0.989 157 V CB 1.599 33.552 31.823 0.215 0.000 1.040 157 V HN 0.879 nan 8.190 nan 0.000 0.434 158 T N 2.864 117.510 114.554 0.155 0.000 2.824 158 T HA 0.607 4.958 4.350 0.000 0.000 0.282 158 T C -0.410 174.348 174.700 0.096 0.000 0.993 158 T CA -0.516 61.665 62.100 0.134 0.000 0.967 158 T CB 1.257 70.232 68.868 0.179 0.000 0.960 158 T HN 0.775 nan 8.240 nan 0.000 0.441 159 R N 2.437 122.979 120.500 0.070 0.000 2.363 159 R HA 0.629 4.969 4.340 0.000 0.000 0.297 159 R C -0.956 175.364 176.300 0.032 0.000 1.208 159 R CA -0.640 55.472 56.100 0.020 0.000 1.121 159 R CB 1.020 31.303 30.300 -0.029 0.000 1.124 159 R HN 0.527 nan 8.270 nan 0.000 0.561 160 V N -1.549 118.384 119.914 0.031 0.000 3.077 160 V HA 0.393 4.513 4.120 0.000 0.000 0.299 160 V C -0.148 175.964 176.094 0.030 0.000 1.276 160 V CA -1.169 61.155 62.300 0.039 0.000 0.993 160 V CB 1.799 33.654 31.823 0.054 0.000 1.076 160 V HN 0.167 nan 8.190 nan 0.000 0.434 161 V N 3.458 123.393 119.914 0.034 0.000 2.673 161 V HA 0.502 4.622 4.120 0.000 0.000 0.303 161 V C 1.792 177.903 176.094 0.028 0.000 1.046 161 V CA 2.003 64.323 62.300 0.032 0.000 1.126 161 V CB 0.277 32.122 31.823 0.036 0.000 0.934 161 V HN 2.190 nan 8.190 nan 0.000 0.487 162 G N 3.150 111.962 108.800 0.019 0.000 2.217 162 G HA2 -0.040 3.920 3.960 0.000 0.000 0.246 162 G HA3 -0.040 3.920 3.960 0.000 0.000 0.246 162 G C 1.066 175.938 174.900 -0.046 0.000 0.990 162 G CA 0.377 45.476 45.100 -0.003 0.000 0.627 162 G HN 2.187 nan 8.290 nan 0.000 0.522 163 G N 0.091 108.876 108.800 -0.026 0.000 2.582 163 G HA2 -0.272 3.688 3.960 0.000 0.000 0.288 163 G HA3 -0.272 3.688 3.960 0.000 0.000 0.288 163 G C 1.156 175.998 174.900 -0.096 0.000 1.247 163 G CA 1.229 46.307 45.100 -0.036 0.000 0.972 163 G HN 1.102 nan 8.290 nan 0.000 0.557 164 M N 1.512 121.018 119.600 -0.156 0.000 2.549 164 M HA -0.008 4.472 4.480 0.000 0.000 0.260 164 M C 2.683 178.631 176.300 -0.586 0.000 1.076 164 M CA 1.744 56.818 55.300 -0.377 0.000 1.090 164 M CB -0.219 32.264 32.600 -0.195 0.000 1.418 164 M HN 0.722 nan 8.290 nan 0.000 0.486 165 S N -0.559 114.846 115.700 -0.492 0.000 2.607 165 S HA -0.055 4.415 4.470 0.000 0.000 0.224 165 S C 1.665 176.104 174.600 -0.268 0.000 0.969 165 S CA 1.061 58.844 58.200 -0.695 0.000 0.927 165 S CB -0.872 61.943 63.200 -0.643 0.000 0.772 165 S HN 0.566 nan 8.310 nan 0.000 0.533 166 T N -0.650 113.767 114.554 -0.229 0.000 3.118 166 T HA 0.018 4.368 4.350 0.000 0.000 0.260 166 T C 1.395 175.932 174.700 -0.271 0.000 1.139 166 T CA 0.901 62.898 62.100 -0.173 0.000 1.085 166 T CB -0.683 68.179 68.868 -0.009 0.000 0.934 166 T HN 0.902 nan 8.240 nan 0.000 0.518 167 H N -1.975 117.022 119.070 -0.122 0.000 3.680 167 H HA 0.197 4.753 4.556 0.000 0.000 0.260 167 H C 0.578 176.119 175.328 0.354 0.000 1.183 167 H CA -1.002 55.123 56.048 0.129 0.000 1.159 167 H CB -0.461 29.384 29.762 0.138 0.000 1.567 167 H HN 0.482 nan 8.280 nan 0.000 0.648 168 W N 2.922 124.157 121.300 -0.109 0.000 2.089 168 W HA 0.246 4.906 4.660 0.000 0.000 0.355 168 W C 0.007 176.621 176.519 0.158 0.000 1.305 168 W CA -0.027 57.365 57.345 0.077 0.000 1.281 168 W CB -0.203 29.236 29.460 -0.035 0.000 1.183 168 W HN -0.172 nan 8.180 nan 0.000 0.604 169 T N 1.124 115.662 114.554 -0.026 0.000 3.085 169 T HA -0.011 4.339 4.350 0.000 0.000 0.263 169 T C 1.027 175.319 174.700 -0.681 0.000 1.127 169 T CA 1.108 63.014 62.100 -0.323 0.000 1.103 169 T CB -0.563 68.275 68.868 -0.050 0.000 0.921 169 T HN 0.672 nan 8.240 nan 0.000 0.510 170 C N 0.991 119.529 119.300 -1.268 0.000 4.552 170 C HA -0.103 4.357 4.460 0.000 0.000 0.268 170 C C 1.103 175.617 174.990 -0.792 0.000 1.288 170 C CA -0.693 57.300 59.018 -1.707 0.000 1.776 170 C CB -2.690 24.523 27.740 -0.879 0.000 1.415 170 C HN 0.770 nan 8.230 nan 0.000 0.729 171 A N 1.024 123.575 122.820 -0.447 0.000 2.354 171 A HA 0.594 4.914 4.320 0.000 0.000 0.281 171 A C 0.741 178.246 177.584 -0.132 0.000 1.174 171 A CA 1.025 52.952 52.037 -0.183 0.000 0.828 171 A CB 0.233 19.196 19.000 -0.061 0.000 1.099 171 A HN 1.392 nan 8.150 nan 0.000 0.516 172 T N 1.470 115.962 114.554 -0.103 0.000 3.504 172 T HA 0.519 4.869 4.350 0.000 0.000 0.286 172 T C -2.750 171.906 174.700 -0.074 0.000 1.530 172 T CA -1.451 60.622 62.100 -0.045 0.000 1.652 172 T CB 0.607 69.479 68.868 0.005 0.000 0.895 172 T HN 0.444 nan 8.240 nan 0.000 0.674 173 P HA 0.402 nan 4.420 nan 0.000 0.281 173 P C -0.156 177.006 177.300 -0.231 0.000 1.249 173 P CA -0.650 62.353 63.100 -0.161 0.000 0.810 173 P CB 1.187 32.760 31.700 -0.211 0.000 1.008 174 R N 0.779 121.060 120.500 -0.366 0.000 2.615 174 R HA 0.398 4.738 4.340 0.000 0.000 0.270 174 R C 0.070 176.254 176.300 -0.193 0.000 1.081 174 R CA -0.343 55.356 56.100 -0.668 0.000 1.154 174 R CB 0.147 29.895 30.300 -0.921 0.000 1.063 174 R HN 0.377 nan 8.270 nan 0.000 0.519 175 F N 1.544 121.271 119.950 -0.371 0.000 2.385 175 F HA 0.090 4.617 4.527 0.000 0.000 0.336 175 F C 0.893 176.514 175.800 -0.298 0.000 1.100 175 F CA -1.667 56.144 58.000 -0.315 0.000 1.116 175 F CB 0.536 39.345 39.000 -0.318 0.000 1.166 175 F HN 0.544 nan 8.300 nan 0.000 0.511 176 D N 2.106 122.438 120.400 -0.113 0.000 2.411 176 D HA 0.156 4.796 4.640 0.000 0.000 0.251 176 D C 1.036 177.251 176.300 -0.141 0.000 1.201 176 D CA -0.438 53.491 54.000 -0.118 0.000 0.996 176 D CB 0.575 41.318 40.800 -0.096 0.000 1.101 176 D HN 0.466 nan 8.370 nan 0.000 0.504 177 R N -0.380 120.060 120.500 -0.100 0.000 2.103 177 R HA -0.220 4.120 4.340 0.000 0.000 0.242 177 R C 2.063 178.306 176.300 -0.094 0.000 1.142 177 R CA 1.979 58.026 56.100 -0.088 0.000 0.960 177 R CB -0.365 29.917 30.300 -0.031 0.000 0.858 177 R HN 0.708 nan 8.270 nan 0.000 0.439 178 E N 0.782 120.924 120.200 -0.096 0.000 2.209 178 E HA -0.224 4.126 4.350 0.000 0.000 0.196 178 E C 1.459 177.957 176.600 -0.170 0.000 0.993 178 E CA 1.293 57.644 56.400 -0.083 0.000 0.819 178 E CB 0.197 29.890 29.700 -0.011 0.000 0.745 178 E HN 0.411 nan 8.360 nan 0.000 0.477 179 Q N -0.633 118.981 119.800 -0.309 0.000 2.281 179 Q HA 0.165 4.505 4.340 0.000 0.000 0.215 179 Q C 0.199 176.101 176.000 -0.164 0.000 0.867 179 Q CA -0.213 55.340 55.803 -0.416 0.000 0.940 179 Q CB 0.767 28.973 28.738 -0.887 0.000 1.111 179 Q HN -0.034 nan 8.270 nan 0.000 0.513 180 R N 1.797 122.233 120.500 -0.107 0.000 2.407 180 R HA 0.317 4.657 4.340 0.000 0.000 0.303 180 R C -2.614 173.648 176.300 -0.065 0.000 0.981 180 R CA -2.070 53.954 56.100 -0.126 0.000 0.905 180 R CB 0.982 31.029 30.300 -0.421 0.000 1.099 180 R HN -0.150 nan 8.270 nan 0.000 0.459 181 P HA 0.007 nan 4.420 nan 0.000 0.268 181 P C -0.704 176.761 177.300 0.276 0.000 1.205 181 P CA -0.024 63.161 63.100 0.142 0.000 0.771 181 P CB 0.521 32.348 31.700 0.213 0.000 0.858 182 L N 3.307 124.652 121.223 0.203 0.000 2.367 182 L HA 0.136 4.476 4.340 0.000 0.000 0.275 182 L C 1.422 178.439 176.870 0.245 0.000 1.129 182 L CA 0.028 55.052 54.840 0.306 0.000 0.839 182 L CB 0.293 42.573 42.059 0.370 0.000 1.133 182 L HN 0.429 nan 8.230 nan 0.000 0.453 183 L N 3.684 125.098 121.223 0.318 0.000 2.575 183 L HA 0.214 4.554 4.340 0.000 0.000 0.228 183 L C -0.294 176.753 176.870 0.296 0.000 1.075 183 L CA 0.133 55.051 54.840 0.129 0.000 0.867 183 L CB 0.822 42.758 42.059 -0.205 0.000 1.097 183 L HN 0.316 nan 8.230 nan 0.000 0.485 184 V N 0.967 121.067 119.914 0.310 0.000 2.531 184 V HA 0.248 4.368 4.120 0.000 0.000 0.301 184 V C -0.457 175.736 176.094 0.165 0.000 1.034 184 V CA -1.029 61.389 62.300 0.197 0.000 0.865 184 V CB 1.760 33.645 31.823 0.104 0.000 0.995 184 V HN 0.157 nan 8.190 nan 0.000 0.424 185 K N 2.537 122.894 120.400 -0.072 0.000 2.174 185 K HA 0.476 4.796 4.320 0.000 0.000 0.275 185 K C -0.484 176.080 176.600 -0.061 0.000 1.015 185 K CA -0.573 55.628 56.287 -0.143 0.000 0.933 185 K CB 0.654 32.879 32.500 -0.459 0.000 1.025 185 K HN 0.632 nan 8.250 nan 0.000 0.463 186 D N 1.193 121.585 120.400 -0.015 0.000 2.723 186 D HA -0.155 4.485 4.640 0.000 0.000 0.236 186 D C -0.846 175.459 176.300 0.009 0.000 1.138 186 D CA 1.367 55.364 54.000 -0.005 0.000 0.676 186 D CB -0.814 39.968 40.800 -0.029 0.000 1.069 186 D HN 0.787 nan 8.370 nan 0.000 0.430 187 D N -1.471 118.948 120.400 0.031 0.000 2.684 187 D HA 0.326 4.967 4.640 0.000 0.000 0.233 187 D C 0.899 177.235 176.300 0.060 0.000 1.374 187 D CA 0.233 54.255 54.000 0.036 0.000 0.906 187 D CB 0.168 40.984 40.800 0.026 0.000 1.526 187 D HN 0.018 nan 8.370 nan 0.000 0.518 188 A N 1.875 124.732 122.820 0.061 0.000 1.972 188 A HA -0.165 4.155 4.320 0.000 0.000 0.219 188 A C 1.657 179.289 177.584 0.079 0.000 1.169 188 A CA 1.465 53.548 52.037 0.076 0.000 0.635 188 A CB 0.007 19.043 19.000 0.061 0.000 0.810 188 A HN 0.416 nan 8.150 nan 0.000 0.446 189 D N 0.038 120.474 120.400 0.061 0.000 2.117 189 D HA -0.013 4.627 4.640 0.000 0.000 0.198 189 D C 2.253 178.591 176.300 0.064 0.000 0.982 189 D CA 1.471 55.506 54.000 0.058 0.000 0.828 189 D CB -0.444 40.381 40.800 0.042 0.000 0.967 189 D HN 0.417 nan 8.370 nan 0.000 0.464 190 A N 0.782 123.637 122.820 0.057 0.000 1.902 190 A HA -0.210 4.110 4.320 0.000 0.000 0.217 190 A C 1.972 179.600 177.584 0.073 0.000 1.181 190 A CA 2.030 54.097 52.037 0.050 0.000 0.623 190 A CB -0.631 18.391 19.000 0.037 0.000 0.818 190 A HN 0.188 nan 8.150 nan 0.000 0.443 191 D N -0.275 120.193 120.400 0.113 0.000 2.084 191 D HA -0.159 4.481 4.640 0.000 0.000 0.194 191 D C 1.325 177.786 176.300 0.267 0.000 0.990 191 D CA 1.550 55.663 54.000 0.189 0.000 0.826 191 D CB -0.163 40.777 40.800 0.233 0.000 0.971 191 D HN 0.327 nan 8.370 nan 0.000 0.453 192 D N -0.123 120.403 120.400 0.211 0.000 2.116 192 D HA -0.181 4.459 4.640 0.000 0.000 0.193 192 D C 1.981 178.391 176.300 0.183 0.000 0.998 192 D CA 1.581 55.704 54.000 0.205 0.000 0.836 192 D CB -0.611 40.265 40.800 0.125 0.000 0.951 192 D HN 0.342 nan 8.370 nan 0.000 0.449 193 A N 0.556 123.445 122.820 0.114 0.000 1.902 193 A HA -0.206 4.114 4.320 0.000 0.000 0.217 193 A C 2.155 179.770 177.584 0.050 0.000 1.181 193 A CA 1.998 54.079 52.037 0.072 0.000 0.623 193 A CB -0.541 18.485 19.000 0.043 0.000 0.818 193 A HN 0.228 nan 8.150 nan 0.000 0.443 194 E N -1.047 119.165 120.200 0.019 0.000 2.072 194 E HA -0.188 4.162 4.350 0.000 0.000 0.191 194 E C 1.684 178.198 176.600 -0.143 0.000 0.985 194 E CA 1.417 57.756 56.400 -0.101 0.000 0.801 194 E CB -0.431 29.158 29.700 -0.185 0.000 0.750 194 E HN 0.722 nan 8.360 nan 0.000 0.452 195 W N 0.767 122.033 121.300 -0.056 0.000 2.363 195 W HA -0.086 4.574 4.660 0.000 0.000 0.296 195 W C 2.116 178.635 176.519 0.000 0.000 1.212 195 W CA 1.151 58.430 57.345 -0.110 0.000 1.260 195 W CB -0.328 29.108 29.460 -0.039 0.000 1.131 195 W HN 0.235 nan 8.180 nan 0.000 0.530 196 D N 0.063 120.632 120.400 0.282 0.000 2.117 196 D HA -0.216 4.424 4.640 0.000 0.000 0.197 196 D C 2.138 178.513 176.300 0.124 0.000 0.987 196 D CA 1.471 55.600 54.000 0.215 0.000 0.829 196 D CB -0.194 40.689 40.800 0.138 0.000 0.961 196 D HN -0.016 nan 8.370 nan 0.000 0.460 197 R N -0.396 120.130 120.500 0.042 0.000 2.075 197 R HA -0.048 4.293 4.340 0.000 0.000 0.232 197 R C 2.487 178.750 176.300 -0.062 0.000 1.126 197 R CA 0.936 57.025 56.100 -0.019 0.000 0.963 197 R CB -0.249 30.020 30.300 -0.052 0.000 0.858 197 R HN 0.251 nan 8.270 nan 0.000 0.435 198 L N -0.512 120.641 121.223 -0.116 0.000 2.027 198 L HA -0.184 4.156 4.340 0.000 0.000 0.206 198 L C 2.321 179.124 176.870 -0.112 0.000 1.074 198 L CA 1.217 55.932 54.840 -0.208 0.000 0.745 198 L CB -0.614 41.210 42.059 -0.393 0.000 0.898 198 L HN 0.206 nan 8.230 nan 0.000 0.433 199 Y N 0.372 120.673 120.300 0.001 0.000 2.224 199 Y HA -0.241 4.309 4.550 0.000 0.000 0.289 199 Y C 2.876 178.754 175.900 -0.037 0.000 1.146 199 Y CA 1.582 59.689 58.100 0.012 0.000 1.182 199 Y CB -1.152 37.347 38.460 0.065 0.000 0.983 199 Y HN 0.147 nan 8.280 nan 0.000 0.524 200 T N -0.370 114.255 114.554 0.118 0.000 2.788 200 T HA -0.206 4.144 4.350 0.000 0.000 0.268 200 T C 1.969 176.637 174.700 -0.054 0.000 1.044 200 T CA 1.655 63.775 62.100 0.033 0.000 1.139 200 T CB -0.145 68.734 68.868 0.019 0.000 0.867 200 T HN 0.247 nan 8.240 nan 0.000 0.454 201 K N 0.856 121.169 120.400 -0.144 0.000 2.057 201 K HA 0.051 4.371 4.320 0.000 0.000 0.206 201 K C 2.528 178.810 176.600 -0.530 0.000 1.050 201 K CA 1.038 57.113 56.287 -0.353 0.000 0.935 201 K CB -0.273 31.978 32.500 -0.415 0.000 0.715 201 K HN 0.258 nan 8.250 nan 0.000 0.439 202 A N 1.350 123.973 122.820 -0.328 0.000 1.902 202 A HA -0.198 4.122 4.320 0.000 0.000 0.217 202 A C 1.820 179.411 177.584 0.011 0.000 1.181 202 A CA 1.734 53.647 52.037 -0.208 0.000 0.623 202 A CB -0.510 18.484 19.000 -0.011 0.000 0.818 202 A HN 0.460 nan 8.150 nan 0.000 0.443 203 E N -0.531 119.713 120.200 0.074 0.000 2.118 203 E HA -0.166 4.184 4.350 0.000 0.000 0.195 203 E C 2.254 178.933 176.600 0.131 0.000 0.992 203 E CA 1.250 57.733 56.400 0.140 0.000 0.804 203 E CB -0.164 29.590 29.700 0.091 0.000 0.741 203 E HN 0.615 nan 8.360 nan 0.000 0.458 204 S N -0.424 115.303 115.700 0.045 0.000 2.368 204 S HA -0.154 4.316 4.470 0.000 0.000 0.224 204 S C 1.823 176.556 174.600 0.221 0.000 1.029 204 S CA 0.848 59.101 58.200 0.088 0.000 0.988 204 S CB -0.197 63.022 63.200 0.031 0.000 0.838 204 S HN 0.265 nan 8.310 nan 0.000 0.462 205 Y N 0.188 120.500 120.300 0.020 0.000 2.224 205 Y HA 0.038 4.588 4.550 0.000 0.000 0.289 205 Y C 1.993 177.918 175.900 0.042 0.000 1.146 205 Y CA 0.356 58.434 58.100 -0.036 0.000 1.182 205 Y CB -1.014 37.340 38.460 -0.177 0.000 0.983 205 Y HN 0.340 nan 8.280 nan 0.000 0.524 206 F N 0.127 120.230 119.950 0.255 0.000 2.776 206 F HA 0.072 4.599 4.527 0.000 0.000 0.300 206 F C 0.778 176.689 175.800 0.186 0.000 1.116 206 F CA 0.036 58.179 58.000 0.239 0.000 1.375 206 F CB -0.229 38.933 39.000 0.270 0.000 1.109 206 F HN -0.024 nan 8.300 nan 0.000 0.585 207 Q N 0.496 120.481 119.800 0.309 0.000 2.468 207 Q HA -0.193 4.147 4.340 0.000 0.000 0.289 207 Q C 0.076 176.164 176.000 0.147 0.000 1.299 207 Q CA 0.777 56.690 55.803 0.183 0.000 0.838 207 Q CB -2.677 26.146 28.738 0.142 0.000 1.195 207 Q HN 0.215 nan 8.270 nan 0.000 0.456 208 T N -0.007 114.648 114.554 0.169 0.000 2.928 208 T HA 0.451 4.801 4.350 0.000 0.000 0.305 208 T C 0.784 175.516 174.700 0.053 0.000 1.035 208 T CA 0.592 62.754 62.100 0.103 0.000 1.145 208 T CB 1.309 70.246 68.868 0.115 0.000 0.963 208 T HN 0.499 nan 8.240 nan 0.000 0.545 209 G N 0.651 109.466 108.800 0.025 0.000 2.684 209 G HA2 0.541 4.501 3.960 0.000 0.000 0.290 209 G HA3 0.541 4.501 3.960 0.000 0.000 0.290 209 G C 0.026 174.934 174.900 0.012 0.000 1.425 209 G CA -0.551 44.555 45.100 0.010 0.000 0.822 209 G HN 0.621 nan 8.290 nan 0.000 0.482 210 T N -2.367 112.194 114.554 0.012 0.000 3.288 210 T HA 0.271 4.621 4.350 0.000 0.000 0.293 210 T C 0.150 174.864 174.700 0.023 0.000 1.008 210 T CA 0.518 62.636 62.100 0.029 0.000 0.929 210 T CB 0.356 69.246 68.868 0.037 0.000 1.152 210 T HN 0.502 nan 8.240 nan 0.000 0.517 211 D N 0.387 120.781 120.400 -0.011 0.000 2.500 211 D HA 0.041 4.682 4.640 0.000 0.000 0.218 211 D C 1.356 177.586 176.300 -0.117 0.000 1.140 211 D CA -0.031 53.941 54.000 -0.048 0.000 0.830 211 D CB -0.049 40.717 40.800 -0.057 0.000 1.055 211 D HN 0.283 nan 8.370 nan 0.000 0.512 212 Q N -0.374 119.350 119.800 -0.127 0.000 2.369 212 Q HA 0.132 4.473 4.340 0.000 0.000 0.206 212 Q C 0.298 175.925 176.000 -0.621 0.000 0.963 212 Q CA 0.887 56.485 55.803 -0.342 0.000 0.894 212 Q CB -0.217 28.299 28.738 -0.369 0.000 0.965 212 Q HN 0.275 nan 8.270 nan 0.000 0.475 213 F N -0.230 119.558 119.950 -0.271 0.000 2.698 213 F HA 0.235 4.762 4.527 0.000 0.000 0.304 213 F C 1.252 176.844 175.800 -0.346 0.000 1.108 213 F CA -0.568 57.227 58.000 -0.342 0.000 1.263 213 F CB 0.316 39.036 39.000 -0.467 0.000 1.013 213 F HN -0.006 nan 8.300 nan 0.000 0.532 214 K N 0.449 120.753 120.400 -0.161 0.000 2.209 214 K HA -0.104 4.216 4.320 0.000 0.000 0.204 214 K C 0.716 177.241 176.600 -0.125 0.000 1.048 214 K CA 1.699 57.941 56.287 -0.075 0.000 0.940 214 K CB -0.180 32.273 32.500 -0.078 0.000 0.729 214 K HN 0.304 nan 8.250 nan 0.000 0.451 215 E N 1.583 121.586 120.200 -0.329 0.000 2.496 215 E HA 0.056 4.406 4.350 0.000 0.000 0.200 215 E C -0.709 175.750 176.600 -0.235 0.000 1.016 215 E CA -0.324 55.661 56.400 -0.692 0.000 0.962 215 E CB 0.928 30.017 29.700 -1.018 0.000 1.071 215 E HN 0.220 nan 8.360 nan 0.000 0.457 216 S N 0.810 116.505 115.700 -0.008 0.000 2.510 216 S HA 0.122 4.592 4.470 0.000 0.000 0.279 216 S C 1.244 175.930 174.600 0.144 0.000 1.284 216 S CA -0.361 57.897 58.200 0.097 0.000 1.059 216 S CB 0.358 63.670 63.200 0.186 0.000 0.901 216 S HN 0.219 nan 8.310 nan 0.000 0.491 217 I N 5.143 125.673 120.570 -0.066 0.000 2.202 217 I HA -0.160 4.010 4.170 0.000 0.000 0.242 217 I C 2.708 178.662 176.117 -0.271 0.000 1.091 217 I CA 1.151 62.163 61.300 -0.479 0.000 1.368 217 I CB -0.233 37.232 38.000 -0.892 0.000 1.058 217 I HN 0.690 nan 8.210 nan 0.000 0.410 218 R N -0.446 119.978 120.500 -0.126 0.000 2.081 218 R HA -0.238 4.102 4.340 0.000 0.000 0.235 218 R C 2.373 178.701 176.300 0.048 0.000 1.131 218 R CA 1.788 57.865 56.100 -0.038 0.000 0.960 218 R CB -0.695 29.592 30.300 -0.021 0.000 0.856 218 R HN 0.420 nan 8.270 nan 0.000 0.436 219 H N 1.144 120.228 119.070 0.024 0.000 2.290 219 H HA -0.080 4.476 4.556 0.000 0.000 0.298 219 H C 1.768 177.161 175.328 0.108 0.000 1.087 219 H CA 2.002 58.086 56.048 0.060 0.000 1.291 219 H CB -0.110 29.716 29.762 0.107 0.000 1.369 219 H HN 0.125 nan 8.280 nan 0.000 0.492 220 N N -0.040 118.749 118.700 0.150 0.000 2.270 220 N HA -0.114 4.626 4.740 0.000 0.000 0.181 220 N C 2.031 177.675 175.510 0.223 0.000 1.016 220 N CA 0.901 54.081 53.050 0.218 0.000 0.870 220 N CB -0.187 38.642 38.487 0.571 0.000 0.979 220 N HN 0.306 nan 8.380 nan 0.000 0.431 221 L N 1.276 122.642 121.223 0.238 0.000 2.012 221 L HA -0.126 4.214 4.340 0.000 0.000 0.210 221 L C 2.099 179.018 176.870 0.083 0.000 1.073 221 L CA 1.382 56.357 54.840 0.225 0.000 0.748 221 L CB -0.516 41.635 42.059 0.152 0.000 0.891 221 L HN -0.125 nan 8.230 nan 0.000 0.431 222 V N -0.868 119.048 119.914 0.003 0.000 2.283 222 V HA -0.235 3.885 4.120 0.000 0.000 0.243 222 V C 2.420 178.438 176.094 -0.126 0.000 1.039 222 V CA 1.541 63.810 62.300 -0.052 0.000 1.016 222 V CB -0.664 31.105 31.823 -0.090 0.000 0.650 222 V HN 0.497 nan 8.190 nan 0.000 0.449 223 L N 1.116 122.226 121.223 -0.189 0.000 1.990 223 L HA -0.216 4.124 4.340 0.000 0.000 0.213 223 L C 2.218 179.020 176.870 -0.114 0.000 1.072 223 L CA 2.202 56.927 54.840 -0.191 0.000 0.755 223 L CB -0.950 40.959 42.059 -0.251 0.000 0.889 223 L HN 0.327 nan 8.230 nan 0.000 0.432 224 N N -0.306 118.376 118.700 -0.031 0.000 2.142 224 N HA -0.193 4.547 4.740 0.000 0.000 0.186 224 N C 1.840 177.333 175.510 -0.028 0.000 1.023 224 N CA 1.263 54.314 53.050 0.002 0.000 0.852 224 N CB -0.328 38.188 38.487 0.048 0.000 0.998 224 N HN 0.281 nan 8.380 nan 0.000 0.424 225 K N 1.465 121.846 120.400 -0.031 0.000 2.026 225 K HA 0.049 4.369 4.320 0.000 0.000 0.208 225 K C 1.948 178.503 176.600 -0.075 0.000 1.048 225 K CA 0.954 57.221 56.287 -0.033 0.000 0.929 225 K CB -0.496 32.002 32.500 -0.003 0.000 0.713 225 K HN 0.127 nan 8.250 nan 0.000 0.439 226 L N 0.010 121.117 121.223 -0.193 0.000 2.093 226 L HA -0.150 4.190 4.340 0.000 0.000 0.208 226 L C 2.241 178.932 176.870 -0.298 0.000 1.085 226 L CA 1.615 56.221 54.840 -0.390 0.000 0.755 226 L CB -0.799 40.633 42.059 -1.045 0.000 0.904 226 L HN 0.240 nan 8.230 nan 0.000 0.435 227 T N -0.764 113.666 114.554 -0.207 0.000 2.684 227 T HA -0.260 4.090 4.350 0.000 0.000 0.267 227 T C 1.783 176.540 174.700 0.095 0.000 1.036 227 T CA 1.686 63.827 62.100 0.069 0.000 1.148 227 T CB -0.137 68.779 68.868 0.079 0.000 0.863 227 T HN 0.386 nan 8.240 nan 0.000 0.436 228 E N 0.661 120.878 120.200 0.029 0.000 2.031 228 E HA -0.191 4.159 4.350 0.000 0.000 0.193 228 E C 2.238 178.843 176.600 0.009 0.000 0.994 228 E CA 1.057 57.467 56.400 0.016 0.000 0.800 228 E CB 0.015 29.708 29.700 -0.012 0.000 0.752 228 E HN 0.379 nan 8.360 nan 0.000 0.447 229 E N -0.419 119.775 120.200 -0.011 0.000 2.160 229 E HA -0.182 4.168 4.350 0.000 0.000 0.195 229 E C 0.927 177.393 176.600 -0.223 0.000 0.991 229 E CA 1.086 57.413 56.400 -0.121 0.000 0.810 229 E CB -0.063 29.547 29.700 -0.150 0.000 0.742 229 E HN 0.466 nan 8.360 nan 0.000 0.466 230 Y N 0.281 120.623 120.300 0.071 0.000 2.720 230 Y HA 0.218 4.768 4.550 0.000 0.000 0.277 230 Y C 0.282 176.247 175.900 0.109 0.000 1.144 230 Y CA -0.388 57.786 58.100 0.124 0.000 1.221 230 Y CB 0.387 39.009 38.460 0.270 0.000 1.163 230 Y HN -0.318 nan 8.280 nan 0.000 0.537 231 K N 0.604 121.099 120.400 0.157 0.000 2.453 231 K HA 0.144 4.464 4.320 0.000 0.000 0.280 231 K C 1.151 177.813 176.600 0.104 0.000 1.045 231 K CA 1.143 57.504 56.287 0.123 0.000 1.059 231 K CB 0.130 32.669 32.500 0.066 0.000 0.901 231 K HN 0.660 nan 8.250 nan 0.000 0.475 232 G N 2.998 111.862 108.800 0.105 0.000 2.168 232 G HA2 -0.324 3.636 3.960 0.000 0.000 0.263 232 G HA3 -0.324 3.636 3.960 0.000 0.000 0.263 232 G C 0.615 175.570 174.900 0.092 0.000 0.977 232 G CA 0.764 45.913 45.100 0.081 0.000 0.659 232 G HN 0.722 nan 8.290 nan 0.000 0.533 233 Q N -1.334 118.547 119.800 0.136 0.000 2.532 233 Q HA 0.294 4.634 4.340 0.000 0.000 0.247 233 Q C 1.312 177.390 176.000 0.131 0.000 0.872 233 Q CA 0.307 56.197 55.803 0.144 0.000 0.963 233 Q CB 0.798 29.656 28.738 0.199 0.000 1.159 233 Q HN 0.517 nan 8.270 nan 0.000 0.598 234 R N 0.313 120.900 120.500 0.145 0.000 2.808 234 R HA 0.409 4.749 4.340 0.000 0.000 0.272 234 R C -1.562 174.727 176.300 -0.019 0.000 0.995 234 R CA -0.789 55.291 56.100 -0.033 0.000 0.917 234 R CB 1.594 31.663 30.300 -0.385 0.000 1.217 234 R HN -0.059 nan 8.270 nan 0.000 0.471 235 D N 1.057 121.366 120.400 -0.152 0.000 2.192 235 D HA 0.403 5.043 4.640 0.000 0.000 0.246 235 D C -0.867 175.243 176.300 -0.316 0.000 1.042 235 D CA -0.007 53.947 54.000 -0.077 0.000 0.847 235 D CB 1.275 42.054 40.800 -0.035 0.000 1.186 235 D HN 0.140 nan 8.370 nan 0.000 0.461 236 F N 0.828 120.778 119.950 -0.000 0.000 2.538 236 F HA 0.423 4.950 4.527 0.000 0.000 0.325 236 F C 0.608 176.417 175.800 0.016 0.000 1.066 236 F CA -0.647 57.345 58.000 -0.012 0.000 0.946 236 F CB 1.797 40.783 39.000 -0.024 0.000 1.199 236 F HN 0.201 nan 8.300 nan 0.000 0.473 237 Q N 0.069 119.974 119.800 0.175 0.000 2.685 237 Q HA 0.344 4.684 4.340 0.000 0.000 0.301 237 Q C -1.552 174.554 176.000 0.176 0.000 0.924 237 Q CA -1.285 54.606 55.803 0.148 0.000 0.755 237 Q CB 1.756 30.549 28.738 0.091 0.000 1.470 237 Q HN 0.621 nan 8.270 nan 0.000 0.434 238 Q N 0.832 120.758 119.800 0.210 0.000 2.364 238 Q HA 0.222 4.562 4.340 0.000 0.000 0.267 238 Q C -0.536 175.529 176.000 0.109 0.000 0.999 238 Q CA -0.173 55.761 55.803 0.218 0.000 0.886 238 Q CB 0.538 29.371 28.738 0.158 0.000 1.243 238 Q HN 0.590 nan 8.270 nan 0.000 0.415 239 I N 6.453 127.068 120.570 0.075 0.000 2.741 239 I HA -0.041 4.129 4.170 0.000 0.000 0.288 239 I C -1.973 174.161 176.117 0.028 0.000 1.192 239 I CA -1.418 59.903 61.300 0.036 0.000 1.426 239 I CB 0.259 38.251 38.000 -0.014 0.000 1.367 239 I HN 0.454 nan 8.210 nan 0.000 0.563 240 P HA 0.266 nan 4.420 nan 0.000 0.276 240 P C -0.937 176.357 177.300 -0.011 0.000 1.243 240 P CA 0.050 63.153 63.100 0.005 0.000 0.768 240 P CB 0.539 32.230 31.700 -0.015 0.000 0.856 241 L N 2.184 123.410 121.223 0.006 0.000 2.386 241 L HA 0.635 4.975 4.340 0.000 0.000 0.271 241 L C 0.260 177.123 176.870 -0.011 0.000 0.993 241 L CA -1.191 53.650 54.840 0.001 0.000 0.819 241 L CB 2.174 44.304 42.059 0.118 0.000 1.294 241 L HN 0.246 nan 8.230 nan 0.000 0.414 242 A N 3.048 125.822 122.820 -0.077 0.000 2.671 242 A HA 0.757 5.077 4.320 0.000 0.000 0.306 242 A C 0.032 177.639 177.584 0.038 0.000 1.473 242 A CA 0.138 52.171 52.037 -0.006 0.000 1.155 242 A CB -0.393 18.540 19.000 -0.112 0.000 1.123 242 A HN 0.799 nan 8.150 nan 0.000 0.545 243 A N 1.757 124.567 122.820 -0.016 0.000 2.590 243 A HA 0.719 5.039 4.320 0.000 0.000 0.294 243 A C -0.520 176.943 177.584 -0.202 0.000 1.046 243 A CA -0.469 51.455 52.037 -0.188 0.000 0.684 243 A CB 0.691 19.398 19.000 -0.488 0.000 1.279 243 A HN 0.638 nan 8.150 nan 0.000 0.415 244 T N 1.441 115.845 114.554 -0.251 0.000 2.840 244 T HA 0.493 4.843 4.350 0.000 0.000 0.287 244 T C -0.047 174.495 174.700 -0.263 0.000 0.991 244 T CA -0.443 61.544 62.100 -0.189 0.000 0.964 244 T CB 1.236 70.051 68.868 -0.088 0.000 0.954 244 T HN 0.743 nan 8.240 nan 0.000 0.438 245 R N 2.311 122.644 120.500 -0.277 0.000 2.442 245 R HA 0.237 4.577 4.340 0.000 0.000 0.291 245 R C 0.730 176.946 176.300 -0.141 0.000 1.069 245 R CA -0.325 55.608 56.100 -0.279 0.000 1.022 245 R CB 0.388 30.485 30.300 -0.338 0.000 0.976 245 R HN 0.402 nan 8.270 nan 0.000 0.443 246 R N 1.140 121.608 120.500 -0.053 0.000 2.225 246 R HA 0.140 4.480 4.340 0.000 0.000 0.194 246 R C 0.222 176.512 176.300 -0.017 0.000 0.957 246 R CA 0.708 56.809 56.100 0.002 0.000 1.042 246 R CB 0.303 30.659 30.300 0.093 0.000 1.004 246 R HN 0.779 nan 8.270 nan 0.000 0.509 247 S N -1.535 114.159 115.700 -0.011 0.000 2.661 247 S HA 0.358 4.828 4.470 0.000 0.000 0.268 247 S C -2.638 171.931 174.600 -0.052 0.000 1.162 247 S CA -0.989 57.196 58.200 -0.026 0.000 0.817 247 S CB 1.917 65.122 63.200 0.008 0.000 1.141 247 S HN -0.253 nan 8.310 nan 0.000 0.477 248 P HA 0.054 nan 4.420 nan 0.000 0.225 248 P C 0.937 178.210 177.300 -0.044 0.000 1.148 248 P CA 1.616 64.676 63.100 -0.067 0.000 0.779 248 P CB -0.163 31.516 31.700 -0.036 0.000 0.780 249 T N -6.589 107.972 114.554 0.012 0.000 3.091 249 T HA 0.301 4.651 4.350 0.000 0.000 0.277 249 T C -0.224 174.542 174.700 0.110 0.000 0.996 249 T CA -0.336 61.793 62.100 0.049 0.000 0.897 249 T CB -0.530 68.385 68.868 0.077 0.000 1.109 249 T HN -0.125 nan 8.240 nan 0.000 0.534 250 F N 1.504 121.398 119.950 -0.094 0.000 2.573 250 F HA 0.645 5.172 4.527 0.000 0.000 0.316 250 F C -1.603 174.072 175.800 -0.207 0.000 1.148 250 F CA -1.090 56.849 58.000 -0.101 0.000 0.940 250 F CB 1.965 40.924 39.000 -0.069 0.000 1.214 250 F HN -0.116 nan 8.300 nan 0.000 0.448 251 V N 5.053 124.520 119.914 -0.744 0.000 2.448 251 V HA 0.297 4.417 4.120 0.000 0.000 0.295 251 V C -0.412 175.085 176.094 -0.995 0.000 1.025 251 V CA -0.846 60.952 62.300 -0.837 0.000 0.859 251 V CB 1.663 32.806 31.823 -1.135 0.000 0.988 251 V HN 0.729 nan 8.190 nan 0.000 0.431 252 E N 4.430 124.342 120.200 -0.480 0.000 1.996 252 E HA 0.169 4.519 4.350 0.000 0.000 0.280 252 E C -1.073 175.330 176.600 -0.328 0.000 1.092 252 E CA -0.558 55.731 56.400 -0.185 0.000 0.862 252 E CB 0.449 30.194 29.700 0.075 0.000 1.066 252 E HN 0.638 nan 8.360 nan 0.000 0.396 253 W N 2.890 124.088 121.300 -0.169 0.000 2.190 253 W HA 0.120 4.780 4.660 0.000 0.000 0.330 253 W C 0.683 177.225 176.519 0.038 0.000 1.299 253 W CA -0.510 56.710 57.345 -0.209 0.000 1.215 253 W CB 0.934 30.016 29.460 -0.630 0.000 1.147 253 W HN 0.333 nan 8.180 nan 0.000 0.563 254 S N 1.584 117.493 115.700 0.349 0.000 2.624 254 S HA 0.584 5.054 4.470 0.000 0.000 0.263 254 S C 0.169 175.217 174.600 0.746 0.000 1.287 254 S CA -0.495 57.986 58.200 0.467 0.000 0.990 254 S CB 1.112 64.588 63.200 0.460 0.000 0.950 254 S HN 0.523 nan 8.310 nan 0.000 0.561 255 S N -0.384 115.694 115.700 0.630 0.000 2.724 255 S HA 0.675 5.145 4.470 0.000 0.000 0.278 255 S C 0.771 175.574 174.600 0.338 0.000 1.190 255 S CA -0.307 58.200 58.200 0.511 0.000 0.860 255 S CB 0.482 63.901 63.200 0.365 0.000 1.206 255 S HN 0.711 nan 8.310 nan 0.000 0.507 256 A N 1.596 124.507 122.820 0.151 0.000 1.917 256 A HA -0.169 4.151 4.320 0.000 0.000 0.219 256 A C 2.012 179.642 177.584 0.077 0.000 1.182 256 A CA 2.120 54.200 52.037 0.073 0.000 0.633 256 A CB -1.596 17.415 19.000 0.018 0.000 0.819 256 A HN 0.862 nan 8.150 nan 0.000 0.448 257 N N -0.473 118.282 118.700 0.091 0.000 2.137 257 N HA -0.175 4.565 4.740 0.000 0.000 0.190 257 N C 1.562 177.099 175.510 0.045 0.000 1.017 257 N CA 2.134 55.213 53.050 0.049 0.000 0.859 257 N CB -0.239 38.290 38.487 0.071 0.000 1.002 257 N HN 0.483 nan 8.380 nan 0.000 0.428 258 T N 0.608 115.238 114.554 0.126 0.000 2.746 258 T HA -0.071 4.279 4.350 0.000 0.000 0.267 258 T C 2.108 176.843 174.700 0.059 0.000 1.039 258 T CA 1.276 63.455 62.100 0.131 0.000 1.142 258 T CB -0.332 68.691 68.868 0.259 0.000 0.866 258 T HN 0.059 nan 8.240 nan 0.000 0.444 259 V N -0.315 119.618 119.914 0.031 0.000 2.307 259 V HA 0.093 4.213 4.120 0.000 0.000 0.245 259 V C 0.578 176.629 176.094 -0.072 0.000 1.045 259 V CA 1.083 63.320 62.300 -0.105 0.000 1.024 259 V CB -0.426 31.283 31.823 -0.190 0.000 0.651 259 V HN 0.506 nan 8.190 nan 0.000 0.449 260 F N 0.754 120.577 119.950 -0.212 0.000 2.623 260 F HA 0.377 4.904 4.527 0.000 0.000 0.323 260 F C 0.201 175.878 175.800 -0.204 0.000 1.158 260 F CA -1.577 56.267 58.000 -0.261 0.000 1.030 260 F CB 1.345 40.136 39.000 -0.348 0.000 1.280 260 F HN 0.148 nan 8.300 nan 0.000 0.474 261 D N 4.737 124.690 120.400 -0.746 0.000 2.371 261 D HA -0.059 4.581 4.640 0.000 0.000 0.221 261 D C 1.187 177.217 176.300 -0.449 0.000 0.986 261 D CA 1.176 54.894 54.000 -0.471 0.000 0.899 261 D CB -0.045 40.533 40.800 -0.369 0.000 0.902 261 D HN 0.687 nan 8.370 nan 0.000 0.530 262 L N -1.826 118.949 121.223 -0.746 0.000 4.496 262 L HA -0.233 4.107 4.340 0.000 0.000 0.419 262 L C -0.250 176.568 176.870 -0.086 0.000 1.139 262 L CA 0.417 55.078 54.840 -0.298 0.000 0.975 262 L CB -1.337 40.714 42.059 -0.013 0.000 2.099 262 L HN 0.218 nan 8.230 nan 0.000 0.818 263 Q N 0.861 120.518 119.800 -0.238 0.000 2.314 263 Q HA 0.239 4.579 4.340 0.000 0.000 0.258 263 Q C 0.389 176.441 176.000 0.087 0.000 0.954 263 Q CA -0.163 55.592 55.803 -0.080 0.000 0.890 263 Q CB 0.686 29.345 28.738 -0.132 0.000 1.210 263 Q HN 0.130 nan 8.270 nan 0.000 0.410 264 N N 1.992 120.742 118.700 0.083 0.000 2.407 264 N HA 0.052 4.792 4.740 0.000 0.000 0.250 264 N C -0.265 175.296 175.510 0.086 0.000 1.236 264 N CA 0.470 53.571 53.050 0.085 0.000 0.879 264 N CB 0.560 39.005 38.487 -0.070 0.000 1.088 264 N HN 0.259 nan 8.380 nan 0.000 0.450 265 R N 1.319 121.895 120.500 0.126 0.000 2.807 265 R HA 0.501 4.841 4.340 0.000 0.000 0.276 265 R C -2.412 173.917 176.300 0.047 0.000 0.979 265 R CA -1.624 54.533 56.100 0.095 0.000 0.928 265 R CB 1.753 32.139 30.300 0.143 0.000 1.191 265 R HN 0.386 nan 8.270 nan 0.000 0.471 266 P HA 0.080 nan 4.420 nan 0.000 0.271 266 P C -1.325 176.013 177.300 0.064 0.000 1.218 266 P CA -0.192 62.965 63.100 0.095 0.000 0.780 266 P CB 0.618 32.425 31.700 0.178 0.000 0.901 267 N N -1.122 117.610 118.700 0.053 0.000 2.853 267 N HA 0.223 4.963 4.740 0.000 0.000 0.258 267 N C 0.482 176.006 175.510 0.022 0.000 1.444 267 N CA -0.764 52.302 53.050 0.026 0.000 0.837 267 N CB -0.479 38.010 38.487 0.004 0.000 1.489 267 N HN 0.047 nan 8.380 nan 0.000 0.529 268 T N -0.801 113.758 114.554 0.009 0.000 2.803 268 T HA -0.101 4.249 4.350 0.000 0.000 0.269 268 T C 0.315 175.018 174.700 0.004 0.000 1.052 268 T CA 1.604 63.708 62.100 0.007 0.000 1.136 268 T CB -0.385 68.483 68.868 -0.000 0.000 0.864 268 T HN 0.537 nan 8.240 nan 0.000 0.467 269 D N 1.148 121.545 120.400 -0.004 0.000 2.289 269 D HA 0.179 4.819 4.640 0.000 0.000 0.207 269 D C 0.931 177.232 176.300 0.001 0.000 0.966 269 D CA 0.451 54.445 54.000 -0.009 0.000 0.868 269 D CB 0.173 40.956 40.800 -0.027 0.000 0.943 269 D HN 0.405 nan 8.370 nan 0.000 0.514 270 A N 1.533 124.361 122.820 0.013 0.000 3.317 270 A HA 0.317 4.637 4.320 0.000 0.000 0.307 270 A C -1.904 175.722 177.584 0.069 0.000 1.003 270 A CA -0.895 51.163 52.037 0.036 0.000 0.882 270 A CB 0.952 19.970 19.000 0.031 0.000 1.136 270 A HN -0.153 nan 8.150 nan 0.000 0.488 271 P HA -0.083 nan 4.420 nan 0.000 0.226 271 P C 0.379 177.790 177.300 0.184 0.000 1.153 271 P CA 1.136 64.294 63.100 0.097 0.000 0.777 271 P CB 0.500 32.230 31.700 0.051 0.000 0.794 272 E N -0.244 120.069 120.200 0.189 0.000 2.501 272 E HA 0.162 4.512 4.350 0.000 0.000 0.201 272 E C 0.274 177.056 176.600 0.304 0.000 1.016 272 E CA 0.089 56.673 56.400 0.305 0.000 0.920 272 E CB 0.658 30.455 29.700 0.161 0.000 1.023 272 E HN 0.493 nan 8.360 nan 0.000 0.474 273 E N 0.748 121.057 120.200 0.181 0.000 2.232 273 E HA 0.498 4.848 4.350 0.000 0.000 0.264 273 E C -0.289 176.324 176.600 0.022 0.000 0.973 273 E CA -0.602 55.856 56.400 0.096 0.000 0.849 273 E CB 1.588 31.353 29.700 0.108 0.000 1.198 273 E HN -0.177 nan 8.360 nan 0.000 0.407 274 R N 1.714 122.210 120.500 -0.006 0.000 2.500 274 R HA 0.416 4.756 4.340 0.000 0.000 0.299 274 R C -1.632 174.738 176.300 0.118 0.000 1.038 274 R CA -0.527 55.541 56.100 -0.052 0.000 0.903 274 R CB 1.030 31.175 30.300 -0.259 0.000 1.177 274 R HN 0.388 nan 8.270 nan 0.000 0.455 275 F N 2.131 122.055 119.950 -0.043 0.000 2.596 275 F HA 0.464 4.991 4.527 0.000 0.000 0.311 275 F C -1.630 174.097 175.800 -0.121 0.000 1.116 275 F CA -0.681 57.292 58.000 -0.044 0.000 0.957 275 F CB 2.095 41.146 39.000 0.086 0.000 1.250 275 F HN 0.388 nan 8.300 nan 0.000 0.444 276 N N 4.627 122.621 118.700 -1.177 0.000 2.295 276 N HA 0.588 5.328 4.740 0.000 0.000 0.293 276 N C -2.061 172.412 175.510 -1.728 0.000 1.040 276 N CA -0.635 51.674 53.050 -1.234 0.000 0.840 276 N CB 2.342 40.294 38.487 -0.891 0.000 1.468 276 N HN 0.577 nan 8.380 nan 0.000 0.478 277 L N 2.563 122.998 121.223 -1.314 0.000 2.307 277 L HA 0.647 4.988 4.340 0.000 0.000 0.284 277 L C -1.666 174.652 176.870 -0.920 0.000 1.023 277 L CA -0.308 54.010 54.840 -0.870 0.000 0.810 277 L CB 0.224 42.138 42.059 -0.243 0.000 1.231 277 L HN 0.462 nan 8.230 nan 0.000 0.423 278 F N 6.357 126.062 119.950 -0.408 0.000 2.359 278 F HA 0.537 5.064 4.527 0.000 0.000 0.370 278 F C -2.130 173.626 175.800 -0.074 0.000 1.077 278 F CA -2.108 55.751 58.000 -0.234 0.000 1.136 278 F CB 0.616 39.444 39.000 -0.287 0.000 1.387 278 F HN 0.414 nan 8.300 nan 0.000 0.468 279 P HA 0.299 nan 4.420 nan 0.000 0.276 279 P C 0.025 177.384 177.300 0.098 0.000 1.252 279 P CA -0.181 62.964 63.100 0.076 0.000 0.802 279 P CB 1.032 32.755 31.700 0.037 0.000 1.035 280 A N -0.806 122.055 122.820 0.068 0.000 2.791 280 A HA -0.098 4.222 4.320 0.000 0.000 0.292 280 A C -0.071 177.541 177.584 0.048 0.000 1.487 280 A CA 0.683 52.750 52.037 0.051 0.000 0.760 280 A CB -2.414 16.616 19.000 0.050 0.000 1.031 280 A HN 0.260 nan 8.150 nan 0.000 0.503 281 V N -0.164 119.792 119.914 0.070 0.000 2.443 281 V HA 0.663 4.783 4.120 0.000 0.000 0.293 281 V C 0.636 176.727 176.094 -0.006 0.000 1.021 281 V CA -0.338 61.997 62.300 0.058 0.000 0.848 281 V CB 1.511 33.454 31.823 0.200 0.000 0.998 281 V HN 1.499 nan 8.190 nan 0.000 0.424 282 A N 4.232 127.021 122.820 -0.051 0.000 2.404 282 A HA 0.420 4.740 4.320 0.000 0.000 0.273 282 A C 0.151 177.695 177.584 -0.065 0.000 1.144 282 A CA -0.112 51.884 52.037 -0.068 0.000 0.806 282 A CB -0.139 18.869 19.000 0.013 0.000 1.080 282 A HN 0.869 nan 8.150 nan 0.000 0.509 283 C N 3.041 122.282 119.300 -0.098 0.000 2.325 283 C HA 0.341 4.801 4.460 0.000 0.000 0.347 283 C C 1.376 176.333 174.990 -0.055 0.000 1.263 283 C CA -0.273 58.674 59.018 -0.118 0.000 1.806 283 C CB -0.390 27.276 27.740 -0.123 0.000 2.405 283 C HN 1.026 nan 8.230 nan 0.000 0.537 284 E N 1.092 121.294 120.200 0.002 0.000 2.244 284 E HA 0.125 4.475 4.350 0.000 0.000 0.196 284 E C 0.186 176.793 176.600 0.012 0.000 0.939 284 E CA 0.472 56.898 56.400 0.044 0.000 0.884 284 E CB 0.462 30.259 29.700 0.162 0.000 0.850 284 E HN 0.658 nan 8.360 nan 0.000 0.481 285 R N 0.414 120.931 120.500 0.027 0.000 2.663 285 R HA 0.333 4.674 4.340 0.000 0.000 0.267 285 R C -1.032 175.258 176.300 -0.017 0.000 1.038 285 R CA -0.627 55.469 56.100 -0.008 0.000 0.886 285 R CB 1.885 32.171 30.300 -0.024 0.000 1.249 285 R HN -0.095 nan 8.270 nan 0.000 0.463 286 V N -0.896 118.989 119.914 -0.049 0.000 2.532 286 V HA 0.592 4.712 4.120 0.000 0.000 0.295 286 V C 0.111 176.157 176.094 -0.081 0.000 1.041 286 V CA -0.842 61.393 62.300 -0.107 0.000 0.926 286 V CB 1.731 33.449 31.823 -0.175 0.000 0.992 286 V HN 0.444 nan 8.190 nan 0.000 0.457 287 V N 5.336 125.187 119.914 -0.105 0.000 2.383 287 V HA 0.453 4.573 4.120 0.000 0.000 0.275 287 V C 0.598 176.667 176.094 -0.040 0.000 1.036 287 V CA -0.440 61.822 62.300 -0.063 0.000 0.889 287 V CB 0.738 32.537 31.823 -0.039 0.000 0.985 287 V HN 0.928 nan 8.190 nan 0.000 0.459 288 R N 3.833 124.332 120.500 -0.003 0.000 2.410 288 R HA 0.321 4.661 4.340 0.000 0.000 0.288 288 R C 0.312 176.649 176.300 0.063 0.000 1.051 288 R CA -0.622 55.542 56.100 0.106 0.000 1.021 288 R CB 0.762 31.113 30.300 0.085 0.000 1.032 288 R HN 0.871 nan 8.270 nan 0.000 0.481 289 N N 1.684 120.432 118.700 0.079 0.000 2.317 289 N HA -0.016 4.724 4.740 0.000 0.000 0.245 289 N C 0.623 176.128 175.510 -0.008 0.000 1.294 289 N CA 0.163 53.225 53.050 0.020 0.000 0.924 289 N CB 0.363 38.856 38.487 0.011 0.000 1.186 289 N HN 0.560 nan 8.380 nan 0.000 0.495 290 A N 0.171 122.979 122.820 -0.020 0.000 1.933 290 A HA -0.060 4.260 4.320 0.000 0.000 0.218 290 A C 2.217 179.772 177.584 -0.049 0.000 1.175 290 A CA 1.000 53.018 52.037 -0.030 0.000 0.628 290 A CB -0.869 18.116 19.000 -0.025 0.000 0.814 290 A HN 0.638 nan 8.150 nan 0.000 0.444 291 L N -0.714 120.469 121.223 -0.065 0.000 2.552 291 L HA -0.046 4.294 4.340 0.000 0.000 0.227 291 L C 0.054 176.824 176.870 -0.166 0.000 1.146 291 L CA 0.051 54.834 54.840 -0.095 0.000 0.858 291 L CB -0.474 41.530 42.059 -0.091 0.000 0.969 291 L HN 0.410 nan 8.230 nan 0.000 0.451 292 N N 0.125 118.711 118.700 -0.190 0.000 2.725 292 N HA -0.182 4.558 4.740 0.000 0.000 0.251 292 N C 0.874 175.793 175.510 -0.985 0.000 1.031 292 N CA 1.048 53.861 53.050 -0.394 0.000 0.720 292 N CB -1.113 37.282 38.487 -0.152 0.000 0.930 292 N HN 0.536 nan 8.380 nan 0.000 0.543 293 S N -2.105 113.159 115.700 -0.727 0.000 2.632 293 S HA 0.268 4.738 4.470 0.000 0.000 0.237 293 S C 0.269 174.624 174.600 -0.407 0.000 1.037 293 S CA -0.241 57.585 58.200 -0.623 0.000 1.009 293 S CB 1.571 64.613 63.200 -0.262 0.000 0.974 293 S HN 0.383 nan 8.310 nan 0.000 0.544 294 E N 0.360 120.429 120.200 -0.218 0.000 2.363 294 E HA 0.408 4.758 4.350 0.000 0.000 0.281 294 E C -1.695 175.090 176.600 0.308 0.000 0.953 294 E CA -0.802 55.696 56.400 0.163 0.000 0.778 294 E CB 1.359 31.124 29.700 0.108 0.000 1.220 294 E HN 0.088 nan 8.360 nan 0.000 0.431 295 I N 3.418 124.147 120.570 0.264 0.000 2.396 295 I HA 0.136 4.306 4.170 0.000 0.000 0.292 295 I C 0.855 176.928 176.117 -0.074 0.000 0.999 295 I CA 0.111 61.390 61.300 -0.036 0.000 1.310 295 I CB 1.275 39.028 38.000 -0.412 0.000 1.404 295 I HN 0.679 nan 8.210 nan 0.000 0.496 296 E N 3.128 123.276 120.200 -0.087 0.000 2.447 296 E HA 0.109 4.459 4.350 0.000 0.000 0.204 296 E C 0.116 176.751 176.600 0.060 0.000 0.977 296 E CA 0.279 56.698 56.400 0.032 0.000 0.950 296 E CB 0.655 30.378 29.700 0.038 0.000 0.975 296 E HN 0.724 nan 8.360 nan 0.000 0.496 297 S N -0.393 115.256 115.700 -0.085 0.000 2.645 297 S HA 0.446 4.916 4.470 0.000 0.000 0.268 297 S C -1.641 172.923 174.600 -0.059 0.000 1.110 297 S CA -1.064 57.172 58.200 0.060 0.000 0.823 297 S CB 1.126 64.379 63.200 0.087 0.000 1.091 297 S HN 0.007 nan 8.310 nan 0.000 0.466 298 L N 2.036 123.324 121.223 0.108 0.000 2.325 298 L HA 0.657 4.997 4.340 0.000 0.000 0.281 298 L C -0.698 176.174 176.870 0.003 0.000 1.004 298 L CA -0.166 54.696 54.840 0.038 0.000 0.823 298 L CB 1.104 43.220 42.059 0.095 0.000 1.236 298 L HN 1.013 nan 8.230 nan 0.000 0.415 299 H N 5.381 124.410 119.070 -0.069 0.000 2.690 299 H HA 0.599 5.155 4.556 0.000 0.000 0.314 299 H C -0.424 174.849 175.328 -0.093 0.000 1.069 299 H CA -0.003 56.008 56.048 -0.062 0.000 1.436 299 H CB 0.639 30.367 29.762 -0.055 0.000 1.462 299 H HN 0.663 nan 8.280 nan 0.000 0.511 300 I N 1.780 121.987 120.570 -0.604 0.000 2.892 300 I HA 0.425 4.595 4.170 0.000 0.000 0.306 300 I C -1.241 174.727 176.117 -0.248 0.000 1.078 300 I CA -1.003 60.072 61.300 -0.374 0.000 1.032 300 I CB 2.592 40.327 38.000 -0.441 0.000 1.229 300 I HN 0.670 nan 8.210 nan 0.000 0.435 301 H N 3.253 122.226 119.070 -0.161 0.000 2.906 301 H HA 0.227 4.784 4.556 0.000 0.000 0.324 301 H C -1.529 173.810 175.328 0.019 0.000 0.973 301 H CA -0.672 55.342 56.048 -0.058 0.000 1.321 301 H CB 1.507 31.269 29.762 0.000 0.000 1.535 301 H HN 0.775 nan 8.280 nan 0.000 0.518 302 D N 5.653 126.091 120.400 0.062 0.000 2.339 302 D HA 0.004 4.644 4.640 0.000 0.000 0.256 302 D C 1.151 177.329 176.300 -0.203 0.000 1.214 302 D CA -0.097 53.909 54.000 0.009 0.000 0.877 302 D CB 0.972 41.888 40.800 0.193 0.000 1.111 302 D HN 0.676 nan 8.370 nan 0.000 0.478 303 L N 4.114 125.208 121.223 -0.215 0.000 2.465 303 L HA -0.085 4.255 4.340 0.000 0.000 0.224 303 L C 1.773 178.597 176.870 -0.077 0.000 1.145 303 L CA 0.131 54.837 54.840 -0.223 0.000 0.834 303 L CB -0.059 41.949 42.059 -0.085 0.000 0.944 303 L HN 0.505 nan 8.230 nan 0.000 0.451 304 I N -0.698 119.861 120.570 -0.018 0.000 2.556 304 I HA -0.095 4.075 4.170 0.000 0.000 0.251 304 I C 2.606 178.741 176.117 0.030 0.000 1.105 304 I CA 1.431 62.741 61.300 0.017 0.000 1.436 304 I CB -1.001 37.022 38.000 0.038 0.000 1.139 304 I HN 0.248 nan 8.210 nan 0.000 0.438 305 S N 0.244 115.973 115.700 0.049 0.000 2.503 305 S HA 0.186 4.656 4.470 0.000 0.000 0.217 305 S C 1.795 176.434 174.600 0.064 0.000 0.999 305 S CA 0.657 58.897 58.200 0.066 0.000 0.914 305 S CB 0.254 63.517 63.200 0.104 0.000 0.782 305 S HN 0.571 nan 8.310 nan 0.000 0.520 306 G N 1.178 110.017 108.800 0.065 0.000 2.205 306 G HA2 -0.224 3.736 3.960 0.000 0.000 0.261 306 G HA3 -0.224 3.736 3.960 0.000 0.000 0.261 306 G C -0.333 174.667 174.900 0.167 0.000 0.980 306 G CA 0.238 45.428 45.100 0.150 0.000 0.632 306 G HN 0.566 nan 8.290 nan 0.000 0.533 307 D N 0.671 121.111 120.400 0.065 0.000 2.399 307 D HA 0.454 5.094 4.640 0.000 0.000 0.241 307 D C 1.076 177.231 176.300 -0.241 0.000 1.133 307 D CA 0.261 54.162 54.000 -0.166 0.000 0.890 307 D CB 0.583 41.215 40.800 -0.280 0.000 1.201 307 D HN 0.441 nan 8.370 nan 0.000 0.432 308 R N 0.993 121.197 120.500 -0.493 0.000 2.668 308 R HA 0.691 5.031 4.340 0.000 0.000 0.279 308 R C -0.632 175.168 176.300 -0.834 0.000 0.976 308 R CA -0.684 55.142 56.100 -0.455 0.000 0.978 308 R CB 1.280 31.457 30.300 -0.205 0.000 1.133 308 R HN 0.310 nan 8.270 nan 0.000 0.484 309 F N -0.541 119.244 119.950 -0.275 0.000 2.645 309 F HA 0.307 4.834 4.527 0.000 0.000 0.310 309 F C -0.119 175.534 175.800 -0.245 0.000 1.102 309 F CA -1.041 56.842 58.000 -0.194 0.000 0.952 309 F CB 1.874 40.779 39.000 -0.158 0.000 1.326 309 F HN 0.156 nan 8.300 nan 0.000 0.456 310 E N 2.573 122.845 120.200 0.119 0.000 2.133 310 E HA 0.430 4.780 4.350 0.000 0.000 0.274 310 E C -1.029 175.628 176.600 0.095 0.000 0.930 310 E CA -0.488 55.967 56.400 0.091 0.000 0.770 310 E CB 2.213 31.983 29.700 0.117 0.000 1.104 310 E HN 0.290 nan 8.360 nan 0.000 0.403 311 I N 2.862 123.473 120.570 0.069 0.000 2.377 311 I HA 0.259 4.429 4.170 0.000 0.000 0.293 311 I C 0.201 176.440 176.117 0.204 0.000 0.987 311 I CA -0.931 60.438 61.300 0.115 0.000 1.185 311 I CB 1.391 39.427 38.000 0.059 0.000 1.341 311 I HN 0.245 nan 8.210 nan 0.000 0.455 312 K N 4.972 125.490 120.400 0.195 0.000 2.159 312 K HA 0.823 5.143 4.320 0.000 0.000 0.266 312 K C -1.027 175.658 176.600 0.142 0.000 0.975 312 K CA -0.319 56.095 56.287 0.211 0.000 0.865 312 K CB 1.628 34.210 32.500 0.137 0.000 1.087 312 K HN 0.782 nan 8.250 nan 0.000 0.446 313 A N 2.741 125.573 122.820 0.019 0.000 2.569 313 A HA 0.417 4.737 4.320 0.000 0.000 0.290 313 A C -0.384 177.093 177.584 -0.178 0.000 1.136 313 A CA -0.643 51.265 52.037 -0.214 0.000 0.710 313 A CB 0.967 19.631 19.000 -0.559 0.000 1.303 313 A HN 0.756 nan 8.150 nan 0.000 0.413 314 D N -0.551 119.779 120.400 -0.117 0.000 2.149 314 D HA 0.091 4.731 4.640 0.000 0.000 0.201 314 D C 0.291 176.488 176.300 -0.172 0.000 0.972 314 D CA 1.692 55.682 54.000 -0.016 0.000 0.835 314 D CB 0.163 41.017 40.800 0.091 0.000 0.966 314 D HN 0.210 nan 8.370 nan 0.000 0.476 315 V N 0.551 120.213 119.914 -0.421 0.000 2.709 315 V HA 0.284 4.404 4.120 0.000 0.000 0.308 315 V C -1.317 174.497 176.094 -0.467 0.000 1.062 315 V CA -0.893 61.162 62.300 -0.407 0.000 0.901 315 V CB 1.946 33.419 31.823 -0.584 0.000 1.003 315 V HN -0.072 nan 8.190 nan 0.000 0.425 316 Y N 2.729 123.014 120.300 -0.025 0.000 2.350 316 Y HA 0.713 5.263 4.550 0.000 0.000 0.338 316 Y C -0.144 175.721 175.900 -0.057 0.000 0.961 316 Y CA -0.964 57.110 58.100 -0.042 0.000 1.100 316 Y CB 2.162 40.600 38.460 -0.037 0.000 1.179 316 Y HN 0.350 nan 8.280 nan 0.000 0.454 317 V N 5.384 125.267 119.914 -0.052 0.000 2.487 317 V HA 0.410 4.530 4.120 0.000 0.000 0.298 317 V C -0.490 175.477 176.094 -0.213 0.000 1.028 317 V CA -0.917 61.240 62.300 -0.239 0.000 0.860 317 V CB 1.726 33.196 31.823 -0.588 0.000 0.991 317 V HN 0.595 nan 8.190 nan 0.000 0.427 318 L N 5.147 126.239 121.223 -0.218 0.000 2.276 318 L HA 0.537 4.877 4.340 0.000 0.000 0.286 318 L C 0.341 177.108 176.870 -0.172 0.000 1.024 318 L CA -0.195 54.538 54.840 -0.179 0.000 0.826 318 L CB 1.579 43.517 42.059 -0.202 0.000 1.211 318 L HN 0.814 nan 8.230 nan 0.000 0.422 319 T N -1.617 112.868 114.554 -0.114 0.000 3.516 319 T HA 0.365 4.715 4.350 0.000 0.000 0.245 319 T C 0.686 175.388 174.700 0.004 0.000 1.077 319 T CA -0.166 61.907 62.100 -0.045 0.000 1.222 319 T CB 1.006 69.845 68.868 -0.049 0.000 1.045 319 T HN 0.525 nan 8.240 nan 0.000 0.585 320 A N 0.820 123.653 122.820 0.021 0.000 2.337 320 A HA 0.761 5.081 4.320 0.000 0.000 0.227 320 A C 1.394 179.054 177.584 0.126 0.000 1.259 320 A CA 0.065 52.138 52.037 0.060 0.000 0.870 320 A CB -0.814 18.217 19.000 0.052 0.000 0.927 320 A HN 1.702 nan 8.150 nan 0.000 0.497 321 G N -2.466 106.407 108.800 0.121 0.000 2.699 321 G HA2 0.245 4.205 3.960 0.000 0.000 0.686 321 G HA3 0.245 4.205 3.960 0.000 0.000 0.686 321 G C 0.775 175.777 174.900 0.170 0.000 1.301 321 G CA -0.306 44.877 45.100 0.138 0.000 0.816 321 G HN 1.292 nan 8.290 nan 0.000 0.595 322 A N -0.345 122.563 122.820 0.146 0.000 1.933 322 A HA 0.197 4.517 4.320 0.000 0.000 0.218 322 A C 2.673 180.347 177.584 0.149 0.000 1.175 322 A CA 3.215 55.337 52.037 0.141 0.000 0.628 322 A CB -0.389 18.661 19.000 0.082 0.000 0.814 322 A HN 1.594 nan 8.150 nan 0.000 0.444 323 V N -0.890 119.066 119.914 0.070 0.000 2.302 323 V HA -0.206 3.914 4.120 0.000 0.000 0.243 323 V C 2.229 178.330 176.094 0.011 0.000 1.036 323 V CA 2.179 64.484 62.300 0.009 0.000 1.020 323 V CB -1.010 30.706 31.823 -0.179 0.000 0.657 323 V HN 0.742 nan 8.190 nan 0.000 0.453 324 H N -0.298 118.849 119.070 0.129 0.000 2.502 324 H HA -0.024 4.532 4.556 0.000 0.000 0.283 324 H C 2.238 177.567 175.328 0.001 0.000 1.015 324 H CA 0.894 56.972 56.048 0.051 0.000 1.298 324 H CB 0.108 29.880 29.762 0.017 0.000 1.411 324 H HN 0.324 nan 8.280 nan 0.000 0.556 325 N N -0.111 118.667 118.700 0.131 0.000 2.120 325 N HA -0.117 4.623 4.740 0.000 0.000 0.188 325 N C 1.762 177.266 175.510 -0.010 0.000 1.024 325 N CA 1.685 54.744 53.050 0.015 0.000 0.852 325 N CB -0.446 38.029 38.487 -0.021 0.000 1.003 325 N HN 0.324 nan 8.380 nan 0.000 0.424 326 T N 0.835 115.457 114.554 0.114 0.000 2.708 326 T HA -0.187 4.163 4.350 0.000 0.000 0.266 326 T C 1.852 176.440 174.700 -0.187 0.000 1.037 326 T CA 1.205 63.374 62.100 0.115 0.000 1.146 326 T CB -0.253 68.824 68.868 0.349 0.000 0.865 326 T HN 0.357 nan 8.240 nan 0.000 0.435 327 Q N 0.085 119.674 119.800 -0.351 0.000 2.050 327 Q HA -0.121 4.219 4.340 0.000 0.000 0.202 327 Q C 2.309 178.058 176.000 -0.419 0.000 0.980 327 Q CA 1.157 56.453 55.803 -0.846 0.000 0.840 327 Q CB -0.242 28.287 28.738 -0.349 0.000 0.898 327 Q HN 0.349 nan 8.270 nan 0.000 0.424 328 L N 0.622 121.729 121.223 -0.192 0.000 2.046 328 L HA -0.145 4.195 4.340 0.000 0.000 0.208 328 L C 2.056 178.854 176.870 -0.120 0.000 1.077 328 L CA 1.564 56.325 54.840 -0.131 0.000 0.747 328 L CB -0.648 41.353 42.059 -0.096 0.000 0.896 328 L HN 0.313 nan 8.230 nan 0.000 0.432 329 L N -1.854 119.284 121.223 -0.141 0.000 2.017 329 L HA -0.222 4.118 4.340 0.000 0.000 0.208 329 L C 2.441 179.356 176.870 0.076 0.000 1.073 329 L CA 1.098 55.892 54.840 -0.078 0.000 0.745 329 L CB -0.701 41.212 42.059 -0.243 0.000 0.894 329 L HN 0.084 nan 8.230 nan 0.000 0.432 330 V N -0.002 119.881 119.914 -0.052 0.000 2.407 330 V HA -0.284 3.836 4.120 0.000 0.000 0.248 330 V C 2.132 178.200 176.094 -0.043 0.000 1.055 330 V CA 2.046 64.328 62.300 -0.030 0.000 1.049 330 V CB -0.714 31.045 31.823 -0.107 0.000 0.662 330 V HN 0.494 nan 8.190 nan 0.000 0.455 331 N N -0.048 118.589 118.700 -0.105 0.000 2.453 331 N HA -0.098 4.642 4.740 0.000 0.000 0.183 331 N C 1.561 177.048 175.510 -0.039 0.000 1.041 331 N CA 1.171 54.177 53.050 -0.073 0.000 0.900 331 N CB -0.038 38.394 38.487 -0.092 0.000 0.961 331 N HN 0.399 nan 8.380 nan 0.000 0.443 332 S N -1.661 114.040 115.700 0.003 0.000 2.540 332 S HA 0.333 4.803 4.470 0.000 0.000 0.218 332 S C 1.085 175.646 174.600 -0.065 0.000 0.977 332 S CA 0.269 58.476 58.200 0.012 0.000 0.918 332 S CB 0.640 63.908 63.200 0.115 0.000 0.806 332 S HN 0.543 nan 8.310 nan 0.000 0.496 333 G N 1.045 109.813 108.800 -0.052 0.000 2.179 333 G HA2 -0.213 3.747 3.960 0.000 0.000 0.220 333 G HA3 -0.213 3.747 3.960 0.000 0.000 0.220 333 G C -0.091 174.686 174.900 -0.205 0.000 0.990 333 G CA -0.611 44.402 45.100 -0.144 0.000 0.646 333 G HN 0.405 nan 8.290 nan 0.000 0.517 334 F N 0.993 120.917 119.950 -0.043 0.000 2.375 334 F HA 0.558 5.085 4.527 0.000 0.000 0.333 334 F C 1.561 177.372 175.800 0.018 0.000 1.104 334 F CA 0.913 58.901 58.000 -0.021 0.000 1.149 334 F CB 1.092 40.053 39.000 -0.066 0.000 1.190 334 F HN 0.797 nan 8.300 nan 0.000 0.533 335 G N 1.991 110.929 108.800 0.231 0.000 2.566 335 G HA2 -0.276 3.684 3.960 0.000 0.000 0.280 335 G HA3 -0.276 3.684 3.960 0.000 0.000 0.280 335 G C -0.782 174.191 174.900 0.121 0.000 1.225 335 G CA 0.033 45.238 45.100 0.175 0.000 0.966 335 G HN 0.839 nan 8.290 nan 0.000 0.560 336 Q N -1.051 118.827 119.800 0.130 0.000 2.271 336 Q HA 0.610 4.951 4.340 0.000 0.000 0.268 336 Q C -0.986 175.094 176.000 0.133 0.000 1.021 336 Q CA -0.966 54.894 55.803 0.094 0.000 0.802 336 Q CB 1.754 30.529 28.738 0.062 0.000 1.282 336 Q HN 0.881 nan 8.270 nan 0.000 0.431 337 L N 3.454 124.743 121.223 0.110 0.000 2.395 337 L HA 0.753 5.093 4.340 0.000 0.000 0.269 337 L C 0.415 177.364 176.870 0.132 0.000 1.133 337 L CA 1.937 56.869 54.840 0.153 0.000 0.812 337 L CB 0.999 43.123 42.059 0.108 0.000 1.125 337 L HN 0.850 nan 8.230 nan 0.000 0.452 338 G N 3.473 112.404 108.800 0.220 0.000 2.760 338 G HA2 -0.241 3.719 3.960 0.000 0.000 0.246 338 G HA3 -0.241 3.719 3.960 0.000 0.000 0.246 338 G C -0.446 174.329 174.900 -0.209 0.000 1.359 338 G CA -0.113 45.070 45.100 0.138 0.000 0.861 338 G HN 0.949 nan 8.290 nan 0.000 0.541 339 R N 0.711 120.861 120.500 -0.584 0.000 2.522 339 R HA 0.365 4.705 4.340 0.000 0.000 0.284 339 R C -1.911 173.935 176.300 -0.757 0.000 1.032 339 R CA -0.559 54.749 56.100 -1.320 0.000 1.049 339 R CB 0.009 29.838 30.300 -0.785 0.000 0.956 339 R HN 0.355 nan 8.270 nan 0.000 0.422 340 P HA 0.031 nan 4.420 nan 0.000 0.269 340 P C -1.328 175.817 177.300 -0.258 0.000 1.209 340 P CA 0.080 62.948 63.100 -0.387 0.000 0.776 340 P CB 0.482 31.991 31.700 -0.318 0.000 0.876 341 N N 2.124 120.731 118.700 -0.156 0.000 2.653 341 N HA 0.199 4.939 4.740 0.000 0.000 0.261 341 N C -2.077 173.392 175.510 -0.068 0.000 1.216 341 N CA -1.530 51.454 53.050 -0.109 0.000 0.784 341 N CB 1.138 39.568 38.487 -0.096 0.000 1.327 341 N HN 0.158 nan 8.380 nan 0.000 0.539 342 P HA 0.059 nan 4.420 nan 0.000 0.236 342 P C 0.917 178.202 177.300 -0.025 0.000 1.177 342 P CA 0.331 63.409 63.100 -0.036 0.000 0.773 342 P CB 0.312 31.990 31.700 -0.036 0.000 0.878 343 A N -0.306 122.496 122.820 -0.030 0.000 2.121 343 A HA -0.086 4.235 4.320 0.000 0.000 0.218 343 A C 1.399 178.973 177.584 -0.018 0.000 1.154 343 A CA 0.995 53.019 52.037 -0.022 0.000 0.679 343 A CB -0.834 18.152 19.000 -0.024 0.000 0.795 343 A HN 0.122 nan 8.150 nan 0.000 0.458 344 N N 0.046 118.733 118.700 -0.022 0.000 2.791 344 N HA 0.284 5.024 4.740 0.000 0.000 0.265 344 N C -3.335 172.169 175.510 -0.010 0.000 1.580 344 N CA -1.534 51.507 53.050 -0.016 0.000 0.809 344 N CB 0.952 39.426 38.487 -0.022 0.000 1.178 344 N HN 0.037 nan 8.380 nan 0.000 0.499 345 P HA 0.331 nan 4.420 nan 0.000 0.275 345 P C -2.446 174.866 177.300 0.020 0.000 1.228 345 P CA -0.898 62.209 63.100 0.012 0.000 0.786 345 P CB 0.159 31.870 31.700 0.018 0.000 0.927 346 P HA 0.123 nan 4.420 nan 0.000 0.274 346 P C 0.678 178.002 177.300 0.041 0.000 1.246 346 P CA -0.153 62.971 63.100 0.040 0.000 0.795 346 P CB 1.208 32.947 31.700 0.065 0.000 1.006 347 E N 0.074 120.292 120.200 0.030 0.000 2.072 347 E HA -0.036 4.314 4.350 0.000 0.000 0.191 347 E C 0.115 176.749 176.600 0.056 0.000 0.985 347 E CA 0.795 57.212 56.400 0.028 0.000 0.801 347 E CB 0.059 29.762 29.700 0.005 0.000 0.750 347 E HN 0.389 nan 8.360 nan 0.000 0.452 348 L N 0.998 122.266 121.223 0.075 0.000 2.346 348 L HA 0.288 4.628 4.340 0.000 0.000 0.276 348 L C 0.008 177.006 176.870 0.213 0.000 1.006 348 L CA -0.721 54.208 54.840 0.148 0.000 0.817 348 L CB 1.883 44.008 42.059 0.109 0.000 1.272 348 L HN 0.124 nan 8.230 nan 0.000 0.421 349 L N 3.389 124.757 121.223 0.241 0.000 3.746 349 L HA -0.178 4.162 4.340 0.000 0.000 0.542 349 L C -1.485 175.498 176.870 0.187 0.000 1.268 349 L CA -0.509 54.472 54.840 0.235 0.000 0.818 349 L CB -0.866 41.359 42.059 0.276 0.000 1.472 349 L HN 0.587 nan 8.230 nan 0.000 0.843 350 P HA -0.116 nan 4.420 nan 0.000 0.225 350 P C 1.200 178.597 177.300 0.161 0.000 1.148 350 P CA 1.103 64.281 63.100 0.131 0.000 0.779 350 P CB 0.305 32.064 31.700 0.099 0.000 0.780 351 S N -0.773 115.042 115.700 0.192 0.000 2.575 351 S HA 0.081 4.551 4.470 0.000 0.000 0.215 351 S C 0.777 175.535 174.600 0.263 0.000 0.966 351 S CA -0.427 57.933 58.200 0.267 0.000 0.911 351 S CB -0.605 62.747 63.200 0.253 0.000 0.780 351 S HN 0.066 nan 8.310 nan 0.000 0.514 352 L N 2.446 123.802 121.223 0.221 0.000 2.499 352 L HA 0.425 4.765 4.340 0.000 0.000 0.273 352 L C 1.164 178.174 176.870 0.233 0.000 1.195 352 L CA 1.115 56.088 54.840 0.222 0.000 0.882 352 L CB -0.341 41.838 42.059 0.200 0.000 1.133 352 L HN 0.347 nan 8.230 nan 0.000 0.483 353 G N 2.451 111.398 108.800 0.245 0.000 2.168 353 G HA2 -0.269 3.691 3.960 0.000 0.000 0.263 353 G HA3 -0.269 3.691 3.960 0.000 0.000 0.263 353 G C 0.414 175.436 174.900 0.204 0.000 0.977 353 G CA 0.397 45.639 45.100 0.237 0.000 0.659 353 G HN 0.826 nan 8.290 nan 0.000 0.533 354 S N -1.687 114.140 115.700 0.210 0.000 2.704 354 S HA 0.666 5.136 4.470 0.000 0.000 0.305 354 S C 0.349 175.098 174.600 0.248 0.000 1.107 354 S CA 0.072 58.338 58.200 0.109 0.000 0.993 354 S CB 0.972 64.163 63.200 -0.015 0.000 1.110 354 S HN 0.916 nan 8.310 nan 0.000 0.534 355 Y N -0.891 119.478 120.300 0.114 0.000 4.272 355 Y HA -0.196 4.354 4.550 0.000 0.000 0.232 355 Y C 0.500 176.481 175.900 0.135 0.000 1.149 355 Y CA 0.198 58.362 58.100 0.107 0.000 1.961 355 Y CB -2.127 36.391 38.460 0.097 0.000 1.611 355 Y HN 0.618 nan 8.280 nan 0.000 0.682 356 I N 0.097 120.813 120.570 0.243 0.000 2.692 356 I HA 0.456 4.626 4.170 0.000 0.000 0.284 356 I C 0.657 176.944 176.117 0.282 0.000 1.159 356 I CA 0.475 61.924 61.300 0.248 0.000 1.423 356 I CB 1.255 39.403 38.000 0.246 0.000 1.380 356 I HN 0.209 nan 8.210 nan 0.000 0.580 357 T N 1.965 116.649 114.554 0.217 0.000 2.863 357 T HA 0.685 5.035 4.350 0.000 0.000 0.285 357 T C -0.660 174.084 174.700 0.073 0.000 1.009 357 T CA -0.691 61.527 62.100 0.197 0.000 0.989 357 T CB 2.136 71.067 68.868 0.105 0.000 1.004 357 T HN 0.820 nan 8.240 nan 0.000 0.455 358 E N 1.116 121.352 120.200 0.060 0.000 2.331 358 E HA 0.341 4.691 4.350 0.000 0.000 0.275 358 E C -1.110 175.633 176.600 0.237 0.000 0.895 358 E CA -0.533 55.864 56.400 -0.005 0.000 0.753 358 E CB 2.059 31.556 29.700 -0.338 0.000 1.216 358 E HN 0.711 nan 8.360 nan 0.000 0.434 359 Q N 1.174 121.109 119.800 0.224 0.000 2.327 359 Q HA 0.426 4.767 4.340 0.000 0.000 0.254 359 Q C -0.413 175.781 176.000 0.323 0.000 0.952 359 Q CA -0.269 55.708 55.803 0.290 0.000 0.884 359 Q CB 1.181 30.128 28.738 0.349 0.000 1.224 359 Q HN 0.475 nan 8.270 nan 0.000 0.422 360 S N 1.498 117.298 115.700 0.168 0.000 2.580 360 S HA 0.369 4.839 4.470 0.000 0.000 0.274 360 S C -0.733 173.910 174.600 0.072 0.000 1.329 360 S CA -0.507 57.666 58.200 -0.045 0.000 1.036 360 S CB 0.462 63.535 63.200 -0.211 0.000 0.919 360 S HN 0.380 nan 8.310 nan 0.000 0.515 361 L N 4.190 125.428 121.223 0.025 0.000 2.438 361 L HA 0.698 5.038 4.340 0.000 0.000 0.270 361 L C -0.861 175.867 176.870 -0.238 0.000 0.972 361 L CA -0.676 54.075 54.840 -0.150 0.000 0.831 361 L CB 1.596 43.556 42.059 -0.164 0.000 1.273 361 L HN 0.473 nan 8.230 nan 0.000 0.405 362 V N 2.053 121.742 119.914 -0.375 0.000 2.667 362 V HA 0.761 4.881 4.120 0.000 0.000 0.308 362 V C -0.949 174.999 176.094 -0.243 0.000 1.048 362 V CA -0.670 61.329 62.300 -0.502 0.000 0.928 362 V CB 1.644 32.986 31.823 -0.803 0.000 1.004 362 V HN 0.815 nan 8.190 nan 0.000 0.444 363 F N 4.655 124.391 119.950 -0.356 0.000 2.591 363 F HA 0.871 5.398 4.527 0.000 0.000 0.309 363 F C -0.384 175.286 175.800 -0.217 0.000 1.098 363 F CA -0.223 57.651 58.000 -0.210 0.000 0.937 363 F CB 1.529 40.447 39.000 -0.137 0.000 1.250 363 F HN 1.210 nan 8.300 nan 0.000 0.447 364 C N 2.817 121.456 119.300 -1.101 0.000 3.320 364 C HA 0.803 5.263 4.460 0.000 0.000 0.335 364 C C -1.744 172.651 174.990 -0.991 0.000 1.430 364 C CA -0.681 57.657 59.018 -1.134 0.000 1.271 364 C CB 1.702 29.058 27.740 -0.641 0.000 1.609 364 C HN 0.967 nan 8.230 nan 0.000 0.457 365 Q N 0.560 120.026 119.800 -0.556 0.000 2.413 365 Q HA 0.757 5.097 4.340 0.000 0.000 0.276 365 Q C -0.611 175.407 176.000 0.031 0.000 1.099 365 Q CA -0.242 55.470 55.803 -0.152 0.000 0.814 365 Q CB 2.701 31.330 28.738 -0.181 0.000 1.379 365 Q HN 0.936 nan 8.270 nan 0.000 0.436 366 T N -2.511 112.144 114.554 0.167 0.000 2.924 366 T HA 0.682 5.033 4.350 0.000 0.000 0.291 366 T C -0.496 174.256 174.700 0.087 0.000 1.045 366 T CA -0.725 61.443 62.100 0.113 0.000 1.015 366 T CB 1.259 70.207 68.868 0.133 0.000 1.103 366 T HN 0.259 nan 8.240 nan 0.000 0.496 367 V N 2.927 122.860 119.914 0.031 0.000 2.370 367 V HA 0.381 4.501 4.120 0.000 0.000 0.283 367 V C 0.384 176.484 176.094 0.010 0.000 1.023 367 V CA -0.907 61.404 62.300 0.018 0.000 0.857 367 V CB 1.053 32.877 31.823 0.003 0.000 0.985 367 V HN 1.013 nan 8.190 nan 0.000 0.443 368 M N 4.835 124.449 119.600 0.023 0.000 2.248 368 M HA 0.059 4.539 4.480 0.000 0.000 0.343 368 M C 0.899 177.201 176.300 0.003 0.000 1.243 368 M CA 0.747 56.062 55.300 0.024 0.000 1.025 368 M CB 0.556 33.168 32.600 0.021 0.000 1.759 368 M HN 0.931 nan 8.290 nan 0.000 0.452 369 S N 2.464 118.164 115.700 -0.000 0.000 2.573 369 S HA 0.077 4.547 4.470 0.000 0.000 0.277 369 S C 1.009 175.607 174.600 -0.003 0.000 1.346 369 S CA -0.121 58.071 58.200 -0.013 0.000 1.034 369 S CB 0.541 63.728 63.200 -0.021 0.000 0.879 369 S HN 0.799 nan 8.310 nan 0.000 0.528 370 T N 1.535 116.084 114.554 -0.008 0.000 2.720 370 T HA -0.162 4.188 4.350 0.000 0.000 0.268 370 T C 1.626 176.331 174.700 0.007 0.000 1.037 370 T CA 1.837 63.936 62.100 -0.000 0.000 1.144 370 T CB -0.565 68.300 68.868 -0.005 0.000 0.864 370 T HN 0.857 nan 8.240 nan 0.000 0.444 371 E N 0.518 120.719 120.200 0.002 0.000 2.058 371 E HA -0.114 4.236 4.350 0.000 0.000 0.194 371 E C 2.144 178.759 176.600 0.024 0.000 0.997 371 E CA 0.944 57.349 56.400 0.007 0.000 0.801 371 E CB -0.222 29.476 29.700 -0.004 0.000 0.746 371 E HN 0.428 nan 8.360 nan 0.000 0.450 372 L N 0.576 121.815 121.223 0.028 0.000 2.046 372 L HA -0.195 4.146 4.340 0.000 0.000 0.208 372 L C 2.435 179.342 176.870 0.061 0.000 1.077 372 L CA 0.492 55.363 54.840 0.051 0.000 0.747 372 L CB -0.328 41.760 42.059 0.049 0.000 0.896 372 L HN 0.296 nan 8.230 nan 0.000 0.432 373 I N -0.072 120.521 120.570 0.039 0.000 2.226 373 I HA -0.278 3.892 4.170 0.000 0.000 0.245 373 I C 2.123 178.269 176.117 0.049 0.000 1.100 373 I CA 1.498 62.818 61.300 0.033 0.000 1.374 373 I CB -1.090 36.919 38.000 0.015 0.000 1.057 373 I HN 0.285 nan 8.210 nan 0.000 0.413 374 D N 0.718 121.146 120.400 0.046 0.000 2.178 374 D HA -0.131 4.509 4.640 0.000 0.000 0.201 374 D C 2.334 178.681 176.300 0.078 0.000 0.980 374 D CA 1.603 55.634 54.000 0.053 0.000 0.842 374 D CB -0.062 40.760 40.800 0.036 0.000 0.948 374 D HN 0.376 nan 8.370 nan 0.000 0.472 375 S N -0.238 115.519 115.700 0.094 0.000 2.474 375 S HA -0.077 4.393 4.470 0.000 0.000 0.235 375 S C 2.105 176.853 174.600 0.246 0.000 0.997 375 S CA 0.441 58.726 58.200 0.142 0.000 0.949 375 S CB -0.354 62.925 63.200 0.131 0.000 0.766 375 S HN 0.064 nan 8.310 nan 0.000 0.517 376 V N 2.805 122.839 119.914 0.201 0.000 2.490 376 V HA -0.136 3.984 4.120 0.000 0.000 0.250 376 V C 2.188 178.420 176.094 0.230 0.000 1.061 376 V CA 2.046 64.496 62.300 0.250 0.000 1.064 376 V CB -0.739 31.147 31.823 0.104 0.000 0.670 376 V HN 0.802 nan 8.190 nan 0.000 0.461 377 K N 0.359 120.853 120.400 0.156 0.000 2.440 377 K HA 0.172 4.492 4.320 0.000 0.000 0.206 377 K C 1.641 178.306 176.600 0.108 0.000 1.025 377 K CA 0.673 57.034 56.287 0.124 0.000 1.135 377 K CB 0.151 32.707 32.500 0.093 0.000 0.856 377 K HN 0.413 nan 8.250 nan 0.000 0.502 378 S N 1.095 116.875 115.700 0.132 0.000 2.400 378 S HA -0.183 4.287 4.470 0.000 0.000 0.232 378 S C 1.074 175.691 174.600 0.028 0.000 1.025 378 S CA 1.354 59.592 58.200 0.063 0.000 0.993 378 S CB -0.287 62.927 63.200 0.024 0.000 0.808 378 S HN 0.321 nan 8.310 nan 0.000 0.478 379 D N 0.868 121.293 120.400 0.042 0.000 2.340 379 D HA 0.202 4.842 4.640 0.000 0.000 0.220 379 D C 0.245 176.583 176.300 0.063 0.000 1.039 379 D CA 0.294 54.303 54.000 0.016 0.000 0.866 379 D CB -0.082 40.702 40.800 -0.027 0.000 0.913 379 D HN 0.377 nan 8.370 nan 0.000 0.523 380 M N 0.485 120.126 119.600 0.068 0.000 2.235 380 M HA 0.195 4.675 4.480 0.000 0.000 0.351 380 M C 0.347 176.676 176.300 0.048 0.000 1.178 380 M CA 0.160 55.509 55.300 0.081 0.000 1.143 380 M CB 0.921 33.563 32.600 0.070 0.000 1.530 380 M HN -0.327 nan 8.290 nan 0.000 0.461 381 T N 4.219 118.793 114.554 0.033 0.000 2.771 381 T HA 0.693 5.043 4.350 0.000 0.000 0.281 381 T C -0.012 174.666 174.700 -0.037 0.000 0.982 381 T CA -0.386 61.715 62.100 0.001 0.000 0.978 381 T CB 0.714 69.579 68.868 -0.006 0.000 0.930 381 T HN 0.433 nan 8.240 nan 0.000 0.447 382 I N 3.850 124.397 120.570 -0.039 0.000 2.406 382 I HA 0.524 4.694 4.170 0.000 0.000 0.290 382 I C 0.229 176.308 176.117 -0.063 0.000 0.999 382 I CA -0.774 60.471 61.300 -0.091 0.000 1.124 382 I CB 1.506 39.494 38.000 -0.020 0.000 1.289 382 I HN 0.341 nan 8.210 nan 0.000 0.441 383 R N 3.530 123.957 120.500 -0.122 0.000 2.795 383 R HA 0.810 5.151 4.340 0.000 0.000 0.275 383 R C -0.019 176.283 176.300 0.003 0.000 0.981 383 R CA -0.647 55.427 56.100 -0.042 0.000 0.917 383 R CB 2.141 32.412 30.300 -0.048 0.000 1.202 383 R HN 0.854 nan 8.270 nan 0.000 0.469 384 G N 0.495 109.341 108.800 0.077 0.000 2.681 384 G HA2 -0.235 3.725 3.960 0.000 0.000 0.220 384 G HA3 -0.235 3.725 3.960 0.000 0.000 0.220 384 G C -0.963 174.085 174.900 0.246 0.000 1.353 384 G CA -0.580 44.607 45.100 0.145 0.000 0.872 384 G HN 0.530 nan 8.290 nan 0.000 0.557 385 T N 3.166 117.852 114.554 0.221 0.000 2.812 385 T HA 0.631 4.981 4.350 0.000 0.000 0.282 385 T C -2.553 172.101 174.700 -0.077 0.000 0.990 385 T CA -0.688 61.470 62.100 0.097 0.000 0.960 385 T CB 2.125 71.012 68.868 0.032 0.000 0.948 385 T HN 0.514 nan 8.240 nan 0.000 0.438 386 P HA 0.211 nan 4.420 nan 0.000 0.264 386 P C 1.095 178.178 177.300 -0.362 0.000 1.183 386 P CA 0.951 63.537 63.100 -0.856 0.000 0.763 386 P CB 0.302 31.586 31.700 -0.693 0.000 0.807 387 G N 0.772 109.395 108.800 -0.295 0.000 2.176 387 G HA2 -0.178 3.782 3.960 0.000 0.000 0.253 387 G HA3 -0.178 3.782 3.960 0.000 0.000 0.253 387 G C 0.012 174.874 174.900 -0.064 0.000 0.979 387 G CA -0.192 44.829 45.100 -0.132 0.000 0.641 387 G HN 0.539 nan 8.290 nan 0.000 0.530 388 E N -0.647 119.528 120.200 -0.042 0.000 2.281 388 E HA 0.570 4.920 4.350 0.000 0.000 0.262 388 E C 1.439 178.071 176.600 0.052 0.000 0.933 388 E CA -0.928 55.477 56.400 0.009 0.000 0.809 388 E CB 0.975 30.684 29.700 0.016 0.000 1.242 388 E HN 0.074 nan 8.360 nan 0.000 0.418 389 L N 0.477 121.725 121.223 0.042 0.000 2.265 389 L HA -0.156 4.184 4.340 0.000 0.000 0.215 389 L C 2.161 179.067 176.870 0.060 0.000 1.117 389 L CA 1.688 56.554 54.840 0.045 0.000 0.782 389 L CB -0.711 41.364 42.059 0.027 0.000 0.914 389 L HN 0.601 nan 8.230 nan 0.000 0.441 390 T N -4.208 110.389 114.554 0.072 0.000 3.055 390 T HA -0.153 4.197 4.350 0.000 0.000 0.265 390 T C 0.674 175.441 174.700 0.112 0.000 1.111 390 T CA -0.090 62.054 62.100 0.073 0.000 1.118 390 T CB -0.380 68.526 68.868 0.064 0.000 0.909 390 T HN 0.113 nan 8.240 nan 0.000 0.501 391 Y N 2.709 123.007 120.300 -0.004 0.000 2.526 391 Y HA 0.431 4.981 4.550 0.000 0.000 0.330 391 Y C 0.176 176.073 175.900 -0.003 0.000 1.156 391 Y CA -0.670 57.428 58.100 -0.003 0.000 1.419 391 Y CB 0.452 38.908 38.460 -0.006 0.000 1.250 391 Y HN 0.199 nan 8.280 nan 0.000 0.540 392 S N 5.280 120.695 115.700 -0.473 0.000 2.614 392 S HA 0.671 5.141 4.470 0.000 0.000 0.275 392 S C -2.082 172.224 174.600 -0.490 0.000 1.161 392 S CA -0.714 57.272 58.200 -0.357 0.000 0.969 392 S CB 0.610 63.710 63.200 -0.167 0.000 1.059 392 S HN 0.460 nan 8.310 nan 0.000 0.482 393 V N 4.789 124.487 119.914 -0.361 0.000 2.444 393 V HA 0.760 4.880 4.120 0.000 0.000 0.294 393 V C 0.172 176.224 176.094 -0.070 0.000 1.022 393 V CA -0.377 61.791 62.300 -0.220 0.000 0.850 393 V CB 1.307 33.033 31.823 -0.161 0.000 0.992 393 V HN 1.023 nan 8.190 nan 0.000 0.426 394 T N 1.873 116.412 114.554 -0.024 0.000 2.883 394 T HA 0.876 5.226 4.350 0.000 0.000 0.296 394 T C -1.022 173.748 174.700 0.117 0.000 1.117 394 T CA -0.736 61.367 62.100 0.005 0.000 1.006 394 T CB 2.360 71.188 68.868 -0.066 0.000 1.191 394 T HN 0.811 nan 8.240 nan 0.000 0.508 395 Y N -1.808 118.480 120.300 -0.019 0.000 2.644 395 Y HA 0.767 5.317 4.550 0.000 0.000 0.338 395 Y C -0.827 175.063 175.900 -0.015 0.000 1.119 395 Y CA -1.298 56.794 58.100 -0.014 0.000 1.060 395 Y CB 0.870 39.330 38.460 -0.001 0.000 1.294 395 Y HN 0.623 nan 8.280 nan 0.000 0.472 396 T N 4.123 118.716 114.554 0.065 0.000 2.762 396 T HA 0.387 4.737 4.350 0.000 0.000 0.303 396 T C -2.758 171.978 174.700 0.060 0.000 0.977 396 T CA -1.262 60.819 62.100 -0.031 0.000 0.961 396 T CB 0.459 69.333 68.868 0.009 0.000 0.944 396 T HN 0.340 nan 8.240 nan 0.000 0.481 397 P HA 0.253 nan 4.420 nan 0.000 0.268 397 P C 1.119 178.469 177.300 0.084 0.000 1.204 397 P CA 0.596 63.764 63.100 0.113 0.000 0.768 397 P CB 0.444 32.149 31.700 0.008 0.000 0.842 398 G N 1.847 110.707 108.800 0.099 0.000 2.184 398 G HA2 -0.236 3.724 3.960 0.000 0.000 0.264 398 G HA3 -0.236 3.724 3.960 0.000 0.000 0.264 398 G C 0.472 175.386 174.900 0.023 0.000 0.975 398 G CA 0.042 45.171 45.100 0.049 0.000 0.642 398 G HN 0.863 nan 8.290 nan 0.000 0.536 399 A N 0.473 123.308 122.820 0.025 0.000 2.511 399 A HA 0.638 4.958 4.320 0.000 0.000 0.242 399 A C 1.599 179.170 177.584 -0.021 0.000 1.069 399 A CA 1.154 53.192 52.037 0.002 0.000 0.763 399 A CB 0.325 19.329 19.000 0.007 0.000 1.001 399 A HN 1.151 nan 8.150 nan 0.000 0.498 400 S N 1.499 117.184 115.700 -0.026 0.000 2.453 400 S HA -0.133 4.337 4.470 0.000 0.000 0.231 400 S C 1.761 176.326 174.600 -0.059 0.000 1.005 400 S CA 1.503 59.679 58.200 -0.040 0.000 0.949 400 S CB -0.505 62.676 63.200 -0.031 0.000 0.774 400 S HN 1.002 nan 8.310 nan 0.000 0.510 401 T N 0.467 114.987 114.554 -0.055 0.000 3.072 401 T HA 0.033 4.383 4.350 0.000 0.000 0.266 401 T C 0.574 175.211 174.700 -0.105 0.000 1.127 401 T CA 0.106 62.163 62.100 -0.071 0.000 1.107 401 T CB -0.523 68.313 68.868 -0.052 0.000 0.910 401 T HN 0.147 nan 8.240 nan 0.000 0.513 402 N N 2.177 120.812 118.700 -0.108 0.000 2.458 402 N HA 0.139 4.879 4.740 0.000 0.000 0.258 402 N C 0.999 176.339 175.510 -0.284 0.000 1.219 402 N CA -0.216 52.735 53.050 -0.166 0.000 0.902 402 N CB 0.821 39.231 38.487 -0.129 0.000 1.076 402 N HN 0.110 nan 8.380 nan 0.000 0.455 403 K N 1.140 121.269 120.400 -0.452 0.000 2.296 403 K HA 0.021 4.341 4.320 0.000 0.000 0.200 403 K C 0.066 176.078 176.600 -0.979 0.000 1.048 403 K CA 1.055 56.916 56.287 -0.711 0.000 0.966 403 K CB -0.001 31.957 32.500 -0.903 0.000 0.754 403 K HN 0.570 nan 8.250 nan 0.000 0.466 404 H N -0.352 118.397 119.070 -0.536 0.000 2.747 404 H HA 0.341 4.897 4.556 0.000 0.000 0.371 404 H C -2.354 172.621 175.328 -0.588 0.000 1.161 404 H CA -2.504 53.051 56.048 -0.822 0.000 1.167 404 H CB 1.650 30.518 29.762 -1.491 0.000 1.732 404 H HN -0.151 nan 8.280 nan 0.000 0.544 405 P HA 0.045 nan 4.420 nan 0.000 0.274 405 P C 0.321 177.383 177.300 -0.396 0.000 1.246 405 P CA -0.298 62.573 63.100 -0.383 0.000 0.795 405 P CB 1.381 32.848 31.700 -0.389 0.000 1.006 406 D N 0.324 120.634 120.400 -0.150 0.000 2.116 406 D HA -0.163 4.477 4.640 0.000 0.000 0.193 406 D C 1.957 178.257 176.300 -0.001 0.000 0.998 406 D CA 1.435 55.424 54.000 -0.019 0.000 0.836 406 D CB -0.625 40.270 40.800 0.157 0.000 0.951 406 D HN 0.613 nan 8.370 nan 0.000 0.449 407 W N 0.480 121.847 121.300 0.112 0.000 2.342 407 W HA -0.182 4.479 4.660 0.000 0.000 0.297 407 W C 1.996 178.595 176.519 0.133 0.000 1.213 407 W CA 0.320 57.732 57.345 0.111 0.000 1.251 407 W CB -1.405 28.115 29.460 0.100 0.000 1.136 407 W HN 0.088 nan 8.180 nan 0.000 0.526 408 W N 3.391 124.220 121.300 -0.786 0.000 2.380 408 W HA -0.185 4.475 4.660 0.000 0.000 0.317 408 W C 1.938 178.210 176.519 -0.412 0.000 1.196 408 W CA 1.843 58.755 57.345 -0.721 0.000 1.307 408 W CB -1.102 27.663 29.460 -1.157 0.000 1.157 408 W HN -0.115 nan 8.180 nan 0.000 0.483 409 N N 0.949 119.579 118.700 -0.116 0.000 2.223 409 N HA -0.202 4.538 4.740 0.000 0.000 0.185 409 N C 1.517 176.797 175.510 -0.384 0.000 1.016 409 N CA 1.921 54.711 53.050 -0.432 0.000 0.863 409 N CB -0.630 37.200 38.487 -1.096 0.000 0.983 409 N HN 0.238 nan 8.380 nan 0.000 0.429 410 E N 1.250 121.367 120.200 -0.138 0.000 2.072 410 E HA -0.062 4.288 4.350 0.000 0.000 0.191 410 E C 1.583 178.253 176.600 0.117 0.000 0.985 410 E CA 1.293 57.783 56.400 0.150 0.000 0.801 410 E CB 0.081 29.916 29.700 0.225 0.000 0.750 410 E HN 0.276 nan 8.360 nan 0.000 0.452 411 K N -0.507 119.941 120.400 0.081 0.000 2.057 411 K HA -0.063 4.257 4.320 0.000 0.000 0.206 411 K C 2.110 178.731 176.600 0.035 0.000 1.050 411 K CA 1.288 57.612 56.287 0.061 0.000 0.935 411 K CB -0.075 32.445 32.500 0.034 0.000 0.715 411 K HN 0.024 nan 8.250 nan 0.000 0.439 412 V N 2.269 122.172 119.914 -0.019 0.000 2.295 412 V HA -0.261 3.859 4.120 0.000 0.000 0.246 412 V C 2.425 178.573 176.094 0.090 0.000 1.049 412 V CA 1.649 63.955 62.300 0.010 0.000 1.024 412 V CB -0.459 31.356 31.823 -0.014 0.000 0.648 412 V HN 0.345 nan 8.190 nan 0.000 0.447 413 K N 0.375 120.830 120.400 0.093 0.000 2.032 413 K HA -0.245 4.075 4.320 0.000 0.000 0.209 413 K C 1.972 178.636 176.600 0.107 0.000 1.048 413 K CA 2.070 58.435 56.287 0.131 0.000 0.927 413 K CB -0.268 32.379 32.500 0.246 0.000 0.712 413 K HN 0.428 nan 8.250 nan 0.000 0.441 414 N N 0.276 119.046 118.700 0.116 0.000 2.216 414 N HA -0.152 4.588 4.740 0.000 0.000 0.183 414 N C 1.749 177.312 175.510 0.088 0.000 1.017 414 N CA 1.137 54.243 53.050 0.092 0.000 0.861 414 N CB -0.563 37.986 38.487 0.103 0.000 0.986 414 N HN 0.431 nan 8.380 nan 0.000 0.428 415 H N 0.844 119.946 119.070 0.052 0.000 2.319 415 H HA 0.066 4.622 4.556 0.000 0.000 0.299 415 H C 2.027 177.402 175.328 0.079 0.000 1.092 415 H CA 1.832 57.919 56.048 0.065 0.000 1.302 415 H CB -0.102 29.618 29.762 -0.070 0.000 1.373 415 H HN 0.089 nan 8.280 nan 0.000 0.497 416 M N -0.874 118.694 119.600 -0.053 0.000 2.175 416 M HA -0.143 4.337 4.480 0.000 0.000 0.264 416 M C 2.059 178.397 176.300 0.063 0.000 1.063 416 M CA 1.176 56.460 55.300 -0.026 0.000 1.119 416 M CB -0.005 32.664 32.600 0.115 0.000 1.377 416 M HN 0.354 nan 8.290 nan 0.000 0.415 417 M N -0.276 119.350 119.600 0.044 0.000 2.236 417 M HA -0.126 4.354 4.480 0.000 0.000 0.266 417 M C 1.885 178.172 176.300 -0.021 0.000 1.070 417 M CA 1.699 57.039 55.300 0.066 0.000 1.137 417 M CB -0.714 31.901 32.600 0.023 0.000 1.378 417 M HN 0.334 nan 8.290 nan 0.000 0.426 418 Q N -1.032 118.682 119.800 -0.143 0.000 2.331 418 Q HA -0.060 4.280 4.340 0.000 0.000 0.203 418 Q C -0.015 175.616 176.000 -0.614 0.000 0.944 418 Q CA 0.734 56.323 55.803 -0.356 0.000 0.892 418 Q CB 0.378 28.877 28.738 -0.398 0.000 0.983 418 Q HN 0.500 nan 8.270 nan 0.000 0.482 419 H N -0.039 118.962 119.070 -0.116 0.000 2.379 419 H HA 0.189 4.745 4.556 0.000 0.000 0.229 419 H C -0.029 175.217 175.328 -0.137 0.000 1.423 419 H CA -0.073 55.910 56.048 -0.108 0.000 1.375 419 H CB 0.523 30.176 29.762 -0.181 0.000 1.592 419 H HN 0.253 nan 8.280 nan 0.000 0.507 420 Q N 0.549 120.327 119.800 -0.036 0.000 2.435 420 Q HA -0.092 4.248 4.340 0.000 0.000 0.207 420 Q C 1.664 177.596 176.000 -0.114 0.000 0.956 420 Q CA 0.711 56.442 55.803 -0.121 0.000 0.917 420 Q CB 0.485 29.089 28.738 -0.223 0.000 0.997 420 Q HN 0.454 nan 8.270 nan 0.000 0.497 421 E N 1.238 121.425 120.200 -0.022 0.000 2.481 421 E HA -0.090 4.260 4.350 0.000 0.000 0.195 421 E C -0.402 176.226 176.600 0.047 0.000 1.047 421 E CA 0.469 56.873 56.400 0.006 0.000 0.867 421 E CB -0.025 29.697 29.700 0.038 0.000 0.858 421 E HN 0.171 nan 8.360 nan 0.000 0.513 422 D N 1.848 122.291 120.400 0.072 0.000 2.232 422 D HA 0.150 4.790 4.640 0.000 0.000 0.242 422 D C -1.626 174.726 176.300 0.086 0.000 1.093 422 D CA -2.131 51.943 54.000 0.124 0.000 0.845 422 D CB 1.617 42.529 40.800 0.187 0.000 1.124 422 D HN -0.179 nan 8.370 nan 0.000 0.467 423 P HA 0.110 nan 4.420 nan 0.000 0.249 423 P C -0.255 177.085 177.300 0.066 0.000 1.229 423 P CA 0.173 63.308 63.100 0.059 0.000 0.788 423 P CB 0.385 32.112 31.700 0.044 0.000 1.072 424 L N 1.487 122.760 121.223 0.083 0.000 2.330 424 L HA 0.392 4.732 4.340 0.000 0.000 0.271 424 L C -1.495 175.413 176.870 0.063 0.000 1.013 424 L CA -2.296 52.568 54.840 0.040 0.000 0.816 424 L CB 2.587 44.635 42.059 -0.019 0.000 1.287 424 L HN -0.319 nan 8.230 nan 0.000 0.435 425 P HA 0.115 nan 4.420 nan 0.000 0.251 425 P C 0.221 177.414 177.300 -0.180 0.000 1.223 425 P CA 0.466 63.584 63.100 0.030 0.000 0.796 425 P CB 0.509 32.224 31.700 0.026 0.000 1.068 426 I N 2.437 122.790 120.570 -0.362 0.000 2.371 426 I HA 0.204 4.374 4.170 0.000 0.000 0.290 426 I C -2.134 173.465 176.117 -0.864 0.000 1.028 426 I CA -2.683 58.332 61.300 -0.476 0.000 1.345 426 I CB 0.678 38.492 38.000 -0.310 0.000 1.407 426 I HN -0.235 nan 8.210 nan 0.000 0.501 427 P HA -0.001 nan 4.420 nan 0.000 0.267 427 P C 0.279 177.340 177.300 -0.398 0.000 1.200 427 P CA 0.023 62.761 63.100 -0.603 0.000 0.772 427 P CB 0.354 31.933 31.700 -0.200 0.000 0.855 428 F N 0.740 120.580 119.950 -0.185 0.000 2.171 428 F HA -0.112 4.415 4.527 0.000 0.000 0.300 428 F C 1.757 177.516 175.800 -0.068 0.000 1.090 428 F CA 1.538 59.468 58.000 -0.118 0.000 1.293 428 F CB -0.810 38.136 39.000 -0.091 0.000 1.013 428 F HN 0.399 nan 8.300 nan 0.000 0.486 429 E N -0.146 120.136 120.200 0.137 0.000 2.419 429 E HA -0.016 4.334 4.350 0.000 0.000 0.190 429 E C -0.275 176.345 176.600 0.034 0.000 1.040 429 E CA -0.208 56.243 56.400 0.086 0.000 0.900 429 E CB -0.256 29.498 29.700 0.090 0.000 1.054 429 E HN 0.189 nan 8.360 nan 0.000 0.462 430 D N 2.327 122.724 120.400 -0.007 0.000 2.417 430 D HA 0.049 4.689 4.640 0.000 0.000 0.250 430 D C -2.336 173.978 176.300 0.022 0.000 1.166 430 D CA -1.771 52.212 54.000 -0.029 0.000 0.881 430 D CB 0.857 41.599 40.800 -0.098 0.000 1.164 430 D HN -0.127 nan 8.370 nan 0.000 0.467 431 P HA 0.067 nan 4.420 nan 0.000 0.270 431 P C -0.300 177.107 177.300 0.178 0.000 1.223 431 P CA -0.359 62.832 63.100 0.151 0.000 0.785 431 P CB 0.358 32.158 31.700 0.168 0.000 0.923 432 E N 2.124 122.442 120.200 0.198 0.000 2.392 432 E HA 0.170 4.520 4.350 0.000 0.000 0.256 432 E C -2.457 174.176 176.600 0.055 0.000 1.145 432 E CA -1.815 54.633 56.400 0.081 0.000 0.929 432 E CB -1.019 28.690 29.700 0.015 0.000 0.998 432 E HN 0.221 nan 8.360 nan 0.000 0.442 433 P HA 0.089 nan 4.420 nan 0.000 0.272 433 P C -0.516 176.791 177.300 0.012 0.000 1.223 433 P CA -0.015 63.154 63.100 0.116 0.000 0.784 433 P CB 0.410 32.125 31.700 0.026 0.000 0.923 434 Q N 0.858 120.763 119.800 0.174 0.000 3.394 434 Q HA 0.297 4.637 4.340 0.000 0.000 0.285 434 Q C -1.051 175.037 176.000 0.147 0.000 0.866 434 Q CA -0.286 55.496 55.803 -0.035 0.000 0.844 434 Q CB 1.068 29.547 28.738 -0.432 0.000 1.472 434 Q HN 0.177 nan 8.270 nan 0.000 0.401 435 V N 0.570 120.525 119.914 0.069 0.000 2.547 435 V HA 0.724 4.844 4.120 0.000 0.000 0.299 435 V C 0.185 176.284 176.094 0.009 0.000 1.040 435 V CA -0.359 61.977 62.300 0.060 0.000 0.913 435 V CB 2.032 33.830 31.823 -0.041 0.000 0.992 435 V HN 0.418 nan 8.190 nan 0.000 0.449 436 T N 1.788 116.380 114.554 0.063 0.000 2.916 436 T HA 0.465 4.815 4.350 0.000 0.000 0.305 436 T C -0.909 173.746 174.700 -0.075 0.000 1.119 436 T CA -0.321 61.768 62.100 -0.018 0.000 1.008 436 T CB 1.833 70.682 68.868 -0.031 0.000 1.129 436 T HN 0.814 nan 8.240 nan 0.000 0.480 437 T N 4.770 119.151 114.554 -0.288 0.000 2.772 437 T HA 0.598 4.949 4.350 0.000 0.000 0.288 437 T C -0.006 174.573 174.700 -0.202 0.000 0.994 437 T CA -0.594 61.188 62.100 -0.530 0.000 0.951 437 T CB -0.161 67.987 68.868 -1.200 0.000 0.933 437 T HN 0.513 nan 8.240 nan 0.000 0.447 438 L N 4.253 125.428 121.223 -0.080 0.000 2.464 438 L HA 0.385 4.725 4.340 0.000 0.000 0.264 438 L C 0.755 177.637 176.870 0.020 0.000 1.199 438 L CA -0.898 53.973 54.840 0.051 0.000 0.818 438 L CB 0.213 42.291 42.059 0.030 0.000 1.102 438 L HN 0.620 nan 8.230 nan 0.000 0.473 439 F N 2.585 122.468 119.950 -0.112 0.000 2.604 439 F HA -0.080 4.447 4.527 0.000 0.000 0.390 439 F C 0.298 175.830 175.800 -0.447 0.000 1.053 439 F CA 0.570 58.401 58.000 -0.281 0.000 1.256 439 F CB 0.092 38.983 39.000 -0.182 0.000 0.996 439 F HN 0.372 nan 8.300 nan 0.000 0.564 440 Q N 6.742 126.040 119.800 -0.837 0.000 2.495 440 Q HA 0.275 4.615 4.340 0.000 0.000 0.287 440 Q C -1.958 173.620 176.000 -0.704 0.000 1.078 440 Q CA -1.792 53.620 55.803 -0.652 0.000 0.793 440 Q CB 1.405 29.642 28.738 -0.835 0.000 1.459 440 Q HN 0.234 nan 8.270 nan 0.000 0.422 441 P HA -0.196 nan 4.420 nan 0.000 0.216 441 P C 1.145 178.239 177.300 -0.343 0.000 1.154 441 P CA 2.054 64.994 63.100 -0.267 0.000 0.865 441 P CB 0.190 31.814 31.700 -0.125 0.000 0.789 442 S N -1.603 113.903 115.700 -0.323 0.000 2.603 442 S HA -0.090 4.380 4.470 0.000 0.000 0.220 442 S C 0.453 174.873 174.600 -0.300 0.000 0.967 442 S CA 0.089 58.163 58.200 -0.210 0.000 0.920 442 S CB -1.306 61.869 63.200 -0.042 0.000 0.773 442 S HN 0.440 nan 8.310 nan 0.000 0.529 443 H N -1.478 117.148 119.070 -0.740 0.000 2.643 443 H HA 0.444 5.000 4.556 0.000 0.000 0.229 443 H C -3.238 170.926 175.328 -1.941 0.000 1.410 443 H CA -1.637 53.596 56.048 -1.358 0.000 1.458 443 H CB 0.310 29.565 29.762 -0.846 0.000 1.792 443 H HN 0.070 nan 8.280 nan 0.000 0.563 444 P HA 0.087 nan 4.420 nan 0.000 0.226 444 P C -1.269 175.357 177.300 -1.123 0.000 1.783 444 P CA 0.220 62.202 63.100 -1.863 0.000 0.980 444 P CB -1.057 30.133 31.700 -0.850 0.000 1.967 445 W N -0.214 120.700 121.300 -0.642 0.000 3.296 445 W HA 0.476 5.136 4.660 0.000 0.000 0.314 445 W C -0.898 175.696 176.519 0.126 0.000 1.238 445 W CA -1.225 56.118 57.345 -0.004 0.000 1.193 445 W CB 0.039 29.532 29.460 0.055 0.000 1.383 445 W HN 0.006 nan 8.180 nan 0.000 0.545 446 H N 1.336 120.672 119.070 0.444 0.000 2.551 446 H HA 0.683 5.239 4.556 0.000 0.000 0.358 446 H C -0.117 175.368 175.328 0.261 0.000 1.151 446 H CA 0.611 56.826 56.048 0.280 0.000 1.374 446 H CB 1.416 31.305 29.762 0.212 0.000 1.473 446 H HN 0.571 nan 8.280 nan 0.000 0.574 447 T N 2.130 116.328 114.554 -0.593 0.000 2.893 447 T HA 0.504 4.854 4.350 0.000 0.000 0.293 447 T C -0.816 173.580 174.700 -0.506 0.000 1.027 447 T CA -1.117 60.665 62.100 -0.531 0.000 0.988 447 T CB 1.612 70.056 68.868 -0.706 0.000 1.043 447 T HN 0.671 nan 8.240 nan 0.000 0.461 448 Q N 1.923 121.617 119.800 -0.176 0.000 2.292 448 Q HA 0.560 4.900 4.340 0.000 0.000 0.270 448 Q C -1.188 174.673 176.000 -0.231 0.000 1.024 448 Q CA -0.613 54.994 55.803 -0.327 0.000 0.768 448 Q CB 2.598 30.995 28.738 -0.569 0.000 1.250 448 Q HN 0.714 nan 8.270 nan 0.000 0.447 449 I N 3.855 124.264 120.570 -0.268 0.000 2.464 449 I HA 0.369 4.539 4.170 0.000 0.000 0.277 449 I C -0.369 175.640 176.117 -0.180 0.000 1.040 449 I CA -0.248 60.792 61.300 -0.433 0.000 1.153 449 I CB 0.348 37.975 38.000 -0.622 0.000 1.274 449 I HN 0.757 nan 8.210 nan 0.000 0.469 450 H N 3.866 122.754 119.070 -0.303 0.000 3.001 450 H HA 0.655 5.211 4.556 0.000 0.000 0.266 450 H C -1.211 174.041 175.328 -0.126 0.000 1.532 450 H CA -1.356 54.584 56.048 -0.180 0.000 1.187 450 H CB 1.406 31.086 29.762 -0.137 0.000 1.881 450 H HN 0.115 nan 8.280 nan 0.000 0.643 451 R N 1.331 121.664 120.500 -0.278 0.000 2.575 451 R HA 0.269 4.610 4.340 0.000 0.000 0.293 451 R C -1.696 174.364 176.300 -0.400 0.000 0.983 451 R CA -0.656 55.255 56.100 -0.316 0.000 0.887 451 R CB 1.902 32.144 30.300 -0.097 0.000 1.184 451 R HN 0.901 nan 8.270 nan 0.000 0.445 452 D N 0.490 120.655 120.400 -0.390 0.000 2.527 452 D HA 0.407 5.047 4.640 0.000 0.000 0.233 452 D C -0.411 175.878 176.300 -0.018 0.000 1.063 452 D CA -0.787 53.093 54.000 -0.199 0.000 0.880 452 D CB 1.381 42.066 40.800 -0.192 0.000 1.457 452 D HN 0.455 nan 8.370 nan 0.000 0.475 453 A N 0.872 123.707 122.820 0.025 0.000 2.608 453 A HA 0.294 4.614 4.320 0.000 0.000 0.246 453 A C -0.673 176.987 177.584 0.126 0.000 0.998 453 A CA 0.412 52.514 52.037 0.109 0.000 0.796 453 A CB -0.770 18.320 19.000 0.150 0.000 0.895 453 A HN 0.532 nan 8.150 nan 0.000 0.508 454 F N 1.919 121.822 119.950 -0.077 0.000 2.601 454 F HA 0.526 5.053 4.527 0.000 0.000 0.309 454 F C 0.192 175.808 175.800 -0.306 0.000 1.089 454 F CA -0.338 57.501 58.000 -0.270 0.000 0.940 454 F CB 2.005 40.721 39.000 -0.474 0.000 1.273 454 F HN 0.430 nan 8.300 nan 0.000 0.450 455 S N 4.403 119.508 115.700 -0.991 0.000 2.409 455 S HA 0.389 4.859 4.470 0.000 0.000 0.308 455 S C -1.248 172.979 174.600 -0.622 0.000 1.080 455 S CA -0.232 57.596 58.200 -0.620 0.000 1.081 455 S CB -0.513 62.390 63.200 -0.495 0.000 1.009 455 S HN 0.445 nan 8.310 nan 0.000 0.502 456 Y N 2.991 123.317 120.300 0.044 0.000 2.393 456 Y HA 0.415 4.966 4.550 0.000 0.000 0.338 456 Y C 1.411 177.355 175.900 0.073 0.000 1.029 456 Y CA -0.106 58.107 58.100 0.188 0.000 1.239 456 Y CB 0.565 39.161 38.460 0.227 0.000 1.170 456 Y HN 0.712 nan 8.280 nan 0.000 0.515 457 G N 1.181 110.098 108.800 0.194 0.000 2.716 457 G HA2 0.260 4.220 3.960 0.000 0.000 0.251 457 G HA3 0.260 4.220 3.960 0.000 0.000 0.251 457 G C 0.888 175.875 174.900 0.145 0.000 1.224 457 G CA -0.039 45.136 45.100 0.124 0.000 0.891 457 G HN 0.858 nan 8.290 nan 0.000 0.561 458 A N -0.202 122.673 122.820 0.092 0.000 1.969 458 A HA 0.044 4.364 4.320 0.000 0.000 0.218 458 A C 2.485 180.113 177.584 0.073 0.000 1.169 458 A CA 1.709 53.792 52.037 0.076 0.000 0.635 458 A CB -0.568 18.462 19.000 0.050 0.000 0.810 458 A HN 0.644 nan 8.150 nan 0.000 0.445 459 V N 0.006 119.967 119.914 0.077 0.000 2.307 459 V HA -0.278 3.842 4.120 0.000 0.000 0.245 459 V C 2.552 178.694 176.094 0.081 0.000 1.045 459 V CA 2.422 64.763 62.300 0.067 0.000 1.024 459 V CB -0.571 31.289 31.823 0.063 0.000 0.651 459 V HN 0.696 nan 8.190 nan 0.000 0.449 460 Q N -0.846 119.032 119.800 0.131 0.000 2.124 460 Q HA -0.267 4.073 4.340 0.000 0.000 0.202 460 Q C 2.120 178.164 176.000 0.072 0.000 0.977 460 Q CA 1.649 57.548 55.803 0.161 0.000 0.850 460 Q CB -0.210 28.735 28.738 0.346 0.000 0.901 460 Q HN 0.695 nan 8.270 nan 0.000 0.429 461 Q N -0.151 119.699 119.800 0.083 0.000 2.508 461 Q HA -0.101 4.239 4.340 0.000 0.000 0.214 461 Q C 1.859 177.855 176.000 -0.008 0.000 0.979 461 Q CA 0.673 56.481 55.803 0.009 0.000 0.911 461 Q CB -0.052 28.719 28.738 0.055 0.000 0.969 461 Q HN 0.154 nan 8.270 nan 0.000 0.504 462 S N -0.153 115.553 115.700 0.011 0.000 2.461 462 S HA 0.003 4.473 4.470 0.000 0.000 0.228 462 S C 0.768 175.362 174.600 -0.009 0.000 1.005 462 S CA 0.077 58.281 58.200 0.007 0.000 0.942 462 S CB 0.309 63.521 63.200 0.020 0.000 0.776 462 S HN 0.138 nan 8.310 nan 0.000 0.514 463 I N 2.968 123.522 120.570 -0.027 0.000 2.342 463 I HA 0.253 4.423 4.170 0.000 0.000 0.291 463 I C 0.370 176.442 176.117 -0.075 0.000 1.010 463 I CA -0.951 60.325 61.300 -0.039 0.000 1.308 463 I CB 0.724 38.703 38.000 -0.035 0.000 1.400 463 I HN 0.178 nan 8.210 nan 0.000 0.488 464 D N 4.223 124.597 120.400 -0.042 0.000 2.533 464 D HA -0.078 4.562 4.640 0.000 0.000 0.236 464 D C 1.243 177.499 176.300 -0.073 0.000 1.137 464 D CA 0.242 54.219 54.000 -0.038 0.000 0.867 464 D CB 1.154 41.955 40.800 0.002 0.000 1.170 464 D HN 0.670 nan 8.370 nan 0.000 0.474 465 S N 4.355 119.999 115.700 -0.093 0.000 2.419 465 S HA -0.185 4.285 4.470 0.000 0.000 0.233 465 S C 1.693 176.259 174.600 -0.057 0.000 1.016 465 S CA 0.586 58.714 58.200 -0.121 0.000 0.974 465 S CB -0.047 63.088 63.200 -0.108 0.000 0.786 465 S HN 0.556 nan 8.310 nan 0.000 0.492 466 R N 0.774 121.257 120.500 -0.029 0.000 2.200 466 R HA 0.115 4.455 4.340 0.000 0.000 0.234 466 R C 1.912 178.192 176.300 -0.034 0.000 1.127 466 R CA 1.324 57.405 56.100 -0.033 0.000 0.989 466 R CB -0.587 29.684 30.300 -0.049 0.000 0.869 466 R HN 0.460 nan 8.270 nan 0.000 0.459 467 L N 0.329 121.534 121.223 -0.031 0.000 2.418 467 L HA 0.093 4.433 4.340 0.000 0.000 0.218 467 L C 0.778 177.648 176.870 -0.000 0.000 1.125 467 L CA 0.251 55.081 54.840 -0.016 0.000 0.835 467 L CB 0.067 42.117 42.059 -0.015 0.000 0.953 467 L HN 0.062 nan 8.230 nan 0.000 0.454 468 I N 0.249 120.813 120.570 -0.011 0.000 2.365 468 I HA 0.224 4.394 4.170 0.000 0.000 0.291 468 I C -0.566 175.565 176.117 0.022 0.000 1.004 468 I CA -0.337 60.970 61.300 0.011 0.000 1.311 468 I CB 1.642 39.632 38.000 -0.017 0.000 1.401 468 I HN -0.283 nan 8.210 nan 0.000 0.491 469 V N 4.928 124.876 119.914 0.057 0.000 2.656 469 V HA 0.342 4.462 4.120 0.000 0.000 0.307 469 V C -0.811 175.280 176.094 -0.004 0.000 1.051 469 V CA -0.841 61.455 62.300 -0.006 0.000 0.893 469 V CB 2.210 34.023 31.823 -0.016 0.000 0.999 469 V HN 0.584 nan 8.190 nan 0.000 0.426 470 D N 2.320 122.647 120.400 -0.123 0.000 2.175 470 D HA 0.487 5.127 4.640 0.000 0.000 0.248 470 D C -1.067 175.151 176.300 -0.136 0.000 1.047 470 D CA 0.055 54.019 54.000 -0.059 0.000 0.883 470 D CB 1.408 42.195 40.800 -0.023 0.000 1.180 470 D HN 0.441 nan 8.370 nan 0.000 0.438 471 W N 1.462 122.732 121.300 -0.051 0.000 2.475 471 W HA 0.445 5.105 4.660 0.000 0.000 0.320 471 W C 0.177 176.729 176.519 0.055 0.000 1.022 471 W CA -0.842 56.513 57.345 0.016 0.000 1.240 471 W CB 1.221 30.579 29.460 -0.170 0.000 1.328 471 W HN -0.072 nan 8.180 nan 0.000 0.439 472 R N 3.126 123.853 120.500 0.379 0.000 2.483 472 R HA 0.512 4.852 4.340 0.000 0.000 0.303 472 R C -1.512 174.957 176.300 0.282 0.000 0.987 472 R CA -0.849 55.371 56.100 0.200 0.000 0.881 472 R CB 1.590 31.987 30.300 0.161 0.000 1.177 472 R HN 0.158 nan 8.270 nan 0.000 0.451 473 F N 2.991 122.792 119.950 -0.248 0.000 2.495 473 F HA 0.507 5.034 4.527 0.000 0.000 0.327 473 F C -0.308 175.362 175.800 -0.217 0.000 1.103 473 F CA -1.639 56.305 58.000 -0.093 0.000 0.949 473 F CB 1.113 40.024 39.000 -0.148 0.000 1.142 473 F HN 0.292 nan 8.300 nan 0.000 0.457 474 F N 1.216 121.357 119.950 0.318 0.000 2.449 474 F HA 0.671 5.198 4.527 0.000 0.000 0.342 474 F C 0.651 176.662 175.800 0.352 0.000 1.127 474 F CA -1.093 57.093 58.000 0.311 0.000 0.975 474 F CB 1.478 40.711 39.000 0.389 0.000 1.146 474 F HN 0.520 nan 8.300 nan 0.000 0.444 475 G N 1.980 111.028 108.800 0.412 0.000 2.488 475 G HA2 0.648 4.608 3.960 0.000 0.000 0.318 475 G HA3 0.648 4.608 3.960 0.000 0.000 0.318 475 G C -0.932 174.160 174.900 0.320 0.000 1.188 475 G CA -1.095 44.234 45.100 0.381 0.000 0.944 475 G HN 0.704 nan 8.290 nan 0.000 0.495 476 R N -0.857 119.825 120.500 0.304 0.000 2.407 476 R HA 0.641 4.981 4.340 0.000 0.000 0.303 476 R C -1.012 175.384 176.300 0.161 0.000 0.981 476 R CA -0.547 55.657 56.100 0.174 0.000 0.905 476 R CB 1.323 31.746 30.300 0.204 0.000 1.099 476 R HN 0.260 nan 8.270 nan 0.000 0.459 477 T N 2.183 116.799 114.554 0.103 0.000 2.779 477 T HA 0.110 4.460 4.350 0.000 0.000 0.280 477 T C -0.676 174.101 174.700 0.129 0.000 0.987 477 T CA -0.642 61.568 62.100 0.183 0.000 0.966 477 T CB 1.312 70.363 68.868 0.306 0.000 0.933 477 T HN 0.681 nan 8.240 nan 0.000 0.442 478 E N 4.897 125.176 120.200 0.133 0.000 2.376 478 E HA 0.101 4.451 4.350 0.000 0.000 0.266 478 E C -2.144 174.531 176.600 0.125 0.000 1.009 478 E CA -1.651 54.817 56.400 0.113 0.000 0.902 478 E CB 0.489 30.248 29.700 0.098 0.000 0.972 478 E HN 0.184 nan 8.360 nan 0.000 0.439 479 P HA 0.058 nan 4.420 nan 0.000 0.271 479 P C -1.230 176.220 177.300 0.250 0.000 1.233 479 P CA 0.223 63.459 63.100 0.227 0.000 0.764 479 P CB 0.524 32.375 31.700 0.252 0.000 0.825 480 K N 2.752 123.244 120.400 0.154 0.000 2.378 480 K HA 0.187 4.507 4.320 0.000 0.000 0.252 480 K C 0.995 177.424 176.600 -0.285 0.000 0.931 480 K CA -0.756 55.543 56.287 0.019 0.000 0.794 480 K CB 2.233 34.702 32.500 -0.052 0.000 1.181 480 K HN 0.425 nan 8.250 nan 0.000 0.425 481 E N 2.005 121.869 120.200 -0.559 0.000 2.160 481 E HA -0.211 4.139 4.350 0.000 0.000 0.195 481 E C 1.006 177.346 176.600 -0.435 0.000 0.991 481 E CA 1.402 57.220 56.400 -0.970 0.000 0.810 481 E CB 0.493 29.856 29.700 -0.562 0.000 0.742 481 E HN 0.540 nan 8.360 nan 0.000 0.466 482 E N 0.377 120.430 120.200 -0.245 0.000 2.347 482 E HA -0.110 4.241 4.350 0.000 0.000 0.196 482 E C 0.040 176.578 176.600 -0.103 0.000 1.008 482 E CA 0.331 56.644 56.400 -0.145 0.000 0.852 482 E CB -0.270 29.363 29.700 -0.113 0.000 0.783 482 E HN 0.067 nan 8.360 nan 0.000 0.505 483 N N 1.962 120.590 118.700 -0.121 0.000 2.411 483 N HA 0.186 4.926 4.740 0.000 0.000 0.259 483 N C -0.707 174.861 175.510 0.097 0.000 1.103 483 N CA 0.142 53.176 53.050 -0.026 0.000 0.954 483 N CB 1.137 39.574 38.487 -0.083 0.000 1.085 483 N HN 0.110 nan 8.380 nan 0.000 0.485 484 K N 1.204 121.719 120.400 0.192 0.000 2.469 484 K HA 0.439 4.759 4.320 0.000 0.000 0.254 484 K C -1.228 175.532 176.600 0.266 0.000 0.939 484 K CA -0.906 55.512 56.287 0.218 0.000 0.812 484 K CB 2.415 35.048 32.500 0.222 0.000 1.301 484 K HN 0.167 nan 8.250 nan 0.000 0.433 485 L N 4.120 125.447 121.223 0.174 0.000 2.298 485 L HA 0.552 4.892 4.340 0.000 0.000 0.284 485 L C -1.234 175.569 176.870 -0.112 0.000 1.013 485 L CA -0.115 54.661 54.840 -0.105 0.000 0.824 485 L CB 0.450 42.458 42.059 -0.086 0.000 1.221 485 L HN 0.679 nan 8.230 nan 0.000 0.418 486 W N 3.643 124.662 121.300 -0.468 0.000 2.967 486 W HA 0.654 5.314 4.660 0.000 0.000 0.342 486 W C -2.040 174.010 176.519 -0.783 0.000 1.162 486 W CA -1.243 55.862 57.345 -0.400 0.000 1.085 486 W CB 0.845 30.231 29.460 -0.122 0.000 1.460 486 W HN 0.311 nan 8.180 nan 0.000 0.584 487 F N 1.438 121.588 119.950 0.333 0.000 2.529 487 F HA 0.335 4.862 4.527 0.000 0.000 0.320 487 F C 0.776 176.748 175.800 0.287 0.000 1.118 487 F CA -0.970 57.110 58.000 0.135 0.000 0.915 487 F CB 2.063 41.114 39.000 0.086 0.000 1.161 487 F HN 0.254 nan 8.300 nan 0.000 0.445 488 S N 1.111 116.968 115.700 0.261 0.000 2.562 488 S HA 0.040 4.510 4.470 0.000 0.000 0.281 488 S C 0.793 175.543 174.600 0.250 0.000 1.333 488 S CA -0.507 57.870 58.200 0.295 0.000 1.052 488 S CB 0.365 63.644 63.200 0.131 0.000 0.884 488 S HN 0.702 nan 8.310 nan 0.000 0.506 489 D N 2.989 123.523 120.400 0.223 0.000 2.340 489 D HA 0.088 4.728 4.640 0.000 0.000 0.220 489 D C 1.002 177.364 176.300 0.103 0.000 1.039 489 D CA 0.515 54.599 54.000 0.142 0.000 0.866 489 D CB 0.138 41.004 40.800 0.109 0.000 0.913 489 D HN 0.550 nan 8.370 nan 0.000 0.523 490 K N -0.483 119.982 120.400 0.108 0.000 2.412 490 K HA 0.143 4.463 4.320 0.000 0.000 0.201 490 K C 0.109 176.752 176.600 0.071 0.000 1.275 490 K CA -0.280 56.054 56.287 0.079 0.000 0.910 490 K CB 0.799 33.345 32.500 0.077 0.000 1.346 490 K HN -0.073 nan 8.250 nan 0.000 0.490 491 I N 3.406 124.021 120.570 0.075 0.000 2.474 491 I HA 0.082 4.252 4.170 0.000 0.000 0.287 491 I C 0.494 176.647 176.117 0.060 0.000 1.048 491 I CA 0.166 61.499 61.300 0.055 0.000 1.383 491 I CB 0.960 38.981 38.000 0.036 0.000 1.412 491 I HN 0.276 nan 8.210 nan 0.000 0.531 492 T N 1.506 116.092 114.554 0.053 0.000 2.924 492 T HA 0.606 4.956 4.350 0.000 0.000 0.291 492 T C -0.348 174.388 174.700 0.060 0.000 1.045 492 T CA -0.922 61.216 62.100 0.064 0.000 1.015 492 T CB 2.388 71.290 68.868 0.057 0.000 1.103 492 T HN 0.545 nan 8.240 nan 0.000 0.496 493 D N 0.762 121.214 120.400 0.087 0.000 2.507 493 D HA 0.492 5.132 4.640 0.000 0.000 0.280 493 D C 1.556 177.900 176.300 0.072 0.000 1.219 493 D CA -0.503 53.554 54.000 0.095 0.000 1.085 493 D CB -0.015 40.879 40.800 0.155 0.000 1.134 493 D HN 0.637 nan 8.370 nan 0.000 0.583 494 A N -1.520 121.339 122.820 0.066 0.000 2.121 494 A HA -0.073 4.247 4.320 0.000 0.000 0.218 494 A C 1.077 178.502 177.584 -0.265 0.000 1.154 494 A CA 0.761 52.740 52.037 -0.097 0.000 0.679 494 A CB -0.914 18.001 19.000 -0.142 0.000 0.795 494 A HN 0.532 nan 8.150 nan 0.000 0.458 495 Y N -1.061 119.257 120.300 0.031 0.000 2.658 495 Y HA 0.230 4.780 4.550 0.000 0.000 0.276 495 Y C 0.694 176.621 175.900 0.044 0.000 1.167 495 Y CA -0.254 57.865 58.100 0.032 0.000 1.230 495 Y CB -0.388 38.075 38.460 0.005 0.000 1.144 495 Y HN 0.446 nan 8.280 nan 0.000 0.529 496 N N -0.340 118.427 118.700 0.111 0.000 2.741 496 N HA -0.177 4.563 4.740 0.000 0.000 0.250 496 N C -0.566 174.998 175.510 0.090 0.000 1.115 496 N CA 0.601 53.701 53.050 0.083 0.000 0.724 496 N CB -0.474 38.052 38.487 0.066 0.000 1.090 496 N HN 0.145 nan 8.380 nan 0.000 0.558 497 M N -0.432 119.237 119.600 0.115 0.000 2.654 497 M HA 0.446 4.926 4.480 0.000 0.000 0.310 497 M C -2.118 174.246 176.300 0.106 0.000 1.211 497 M CA -2.055 53.300 55.300 0.092 0.000 0.947 497 M CB 0.481 33.137 32.600 0.093 0.000 1.647 497 M HN -0.283 nan 8.290 nan 0.000 0.481 498 P HA 0.015 nan 4.420 nan 0.000 0.264 498 P C -0.706 176.749 177.300 0.258 0.000 1.193 498 P CA 0.051 63.249 63.100 0.164 0.000 0.763 498 P CB 0.260 32.059 31.700 0.165 0.000 0.810 499 Q N 6.892 126.790 119.800 0.164 0.000 2.297 499 Q HA 0.182 4.522 4.340 0.000 0.000 0.267 499 Q C -2.266 173.699 176.000 -0.059 0.000 1.006 499 Q CA -2.016 53.830 55.803 0.072 0.000 0.896 499 Q CB -0.133 28.598 28.738 -0.012 0.000 1.186 499 Q HN 0.289 nan 8.270 nan 0.000 0.392 500 P HA 0.119 nan 4.420 nan 0.000 0.271 500 P C -1.070 175.749 177.300 -0.802 0.000 1.216 500 P CA -0.154 62.538 63.100 -0.681 0.000 0.776 500 P CB 1.022 32.392 31.700 -0.550 0.000 0.881 501 T N 2.579 116.423 114.554 -1.184 0.000 2.971 501 T HA 0.509 4.859 4.350 0.000 0.000 0.304 501 T C -0.669 173.338 174.700 -1.154 0.000 1.038 501 T CA -0.115 61.268 62.100 -1.195 0.000 1.007 501 T CB 0.519 68.352 68.868 -1.725 0.000 1.055 501 T HN 0.061 nan 8.240 nan 0.000 0.451 502 F N 1.893 121.561 119.950 -0.470 0.000 2.425 502 F HA 0.562 5.089 4.527 0.000 0.000 0.331 502 F C 0.540 176.290 175.800 -0.083 0.000 1.085 502 F CA -0.976 56.881 58.000 -0.239 0.000 1.028 502 F CB 1.282 40.187 39.000 -0.158 0.000 1.177 502 F HN 0.415 nan 8.300 nan 0.000 0.487 503 D N 3.229 123.805 120.400 0.293 0.000 2.375 503 D HA 0.220 4.860 4.640 0.000 0.000 0.259 503 D C -1.808 174.628 176.300 0.226 0.000 1.235 503 D CA -0.090 54.061 54.000 0.253 0.000 0.924 503 D CB 0.313 41.292 40.800 0.299 0.000 1.143 503 D HN 0.290 nan 8.370 nan 0.000 0.529 504 F N 3.209 123.151 119.950 -0.013 0.000 2.569 504 F HA 0.591 5.118 4.527 0.000 0.000 0.312 504 F C -1.145 174.544 175.800 -0.185 0.000 1.109 504 F CA -0.603 57.322 58.000 -0.125 0.000 0.919 504 F CB 1.381 40.241 39.000 -0.233 0.000 1.211 504 F HN 0.013 nan 8.300 nan 0.000 0.446 505 R N 4.539 124.543 120.500 -0.827 0.000 2.725 505 R HA 0.345 4.685 4.340 0.000 0.000 0.277 505 R C -1.603 174.080 176.300 -1.029 0.000 0.987 505 R CA -0.955 54.762 56.100 -0.639 0.000 0.901 505 R CB 1.731 31.864 30.300 -0.277 0.000 1.207 505 R HN 0.574 nan 8.270 nan 0.000 0.463 506 F N 2.947 122.695 119.950 -0.337 0.000 2.578 506 F HA 0.142 4.669 4.527 0.000 0.000 0.381 506 F C -1.294 174.384 175.800 -0.203 0.000 1.069 506 F CA -1.019 56.856 58.000 -0.209 0.000 1.231 506 F CB -0.248 38.748 39.000 -0.008 0.000 1.086 506 F HN 0.142 nan 8.300 nan 0.000 0.564 507 P HA 0.107 nan 4.420 nan 0.000 0.266 507 P C -0.526 176.786 177.300 0.021 0.000 1.195 507 P CA -0.131 62.948 63.100 -0.036 0.000 0.768 507 P CB 0.540 32.232 31.700 -0.013 0.000 0.838 508 A N 2.517 125.337 122.820 -0.001 0.000 2.366 508 A HA 0.585 4.905 4.320 0.000 0.000 0.250 508 A C 1.058 178.658 177.584 0.025 0.000 1.099 508 A CA 0.742 52.786 52.037 0.011 0.000 0.794 508 A CB -0.883 18.116 19.000 -0.002 0.000 1.056 508 A HN 0.828 nan 8.150 nan 0.000 0.499 509 G N -0.126 108.691 108.800 0.029 0.000 2.481 509 G HA2 -0.233 3.727 3.960 0.000 0.000 0.230 509 G HA3 -0.233 3.727 3.960 0.000 0.000 0.230 509 G C 0.989 175.921 174.900 0.053 0.000 1.210 509 G CA 0.688 45.811 45.100 0.037 0.000 0.936 509 G HN 1.028 nan 8.290 nan 0.000 0.583 510 R N -0.152 120.385 120.500 0.063 0.000 2.091 510 R HA -0.088 4.252 4.340 0.000 0.000 0.238 510 R C 2.778 179.136 176.300 0.097 0.000 1.136 510 R CA 2.723 58.870 56.100 0.079 0.000 0.959 510 R CB -0.929 29.420 30.300 0.081 0.000 0.856 510 R HN 0.630 nan 8.270 nan 0.000 0.437 511 T N 0.115 114.730 114.554 0.101 0.000 2.665 511 T HA -0.127 4.223 4.350 0.000 0.000 0.268 511 T C 1.917 176.674 174.700 0.095 0.000 1.035 511 T CA 1.896 64.070 62.100 0.124 0.000 1.151 511 T CB -0.182 68.779 68.868 0.155 0.000 0.862 511 T HN 0.288 nan 8.240 nan 0.000 0.438 512 S N 0.521 116.262 115.700 0.067 0.000 2.371 512 S HA -0.020 4.450 4.470 0.000 0.000 0.224 512 S C 2.016 176.632 174.600 0.026 0.000 1.029 512 S CA 0.981 59.195 58.200 0.022 0.000 0.978 512 S CB -0.170 63.037 63.200 0.012 0.000 0.833 512 S HN 0.519 nan 8.310 nan 0.000 0.466 513 K N 1.469 121.900 120.400 0.052 0.000 2.026 513 K HA -0.136 4.184 4.320 0.000 0.000 0.208 513 K C 1.940 178.599 176.600 0.098 0.000 1.048 513 K CA 1.517 57.842 56.287 0.064 0.000 0.929 513 K CB -0.140 32.402 32.500 0.070 0.000 0.713 513 K HN 0.337 nan 8.250 nan 0.000 0.439 514 E N 0.023 120.307 120.200 0.141 0.000 2.085 514 E HA -0.215 4.135 4.350 0.000 0.000 0.194 514 E C 2.022 178.717 176.600 0.158 0.000 0.994 514 E CA 1.107 57.648 56.400 0.236 0.000 0.801 514 E CB -0.176 29.695 29.700 0.285 0.000 0.743 514 E HN 0.477 nan 8.360 nan 0.000 0.453 515 A N 1.397 124.278 122.820 0.102 0.000 1.883 515 A HA -0.266 4.054 4.320 0.000 0.000 0.217 515 A C 2.097 179.747 177.584 0.110 0.000 1.186 515 A CA 1.899 53.989 52.037 0.088 0.000 0.624 515 A CB -0.431 18.581 19.000 0.020 0.000 0.822 515 A HN 0.165 nan 8.150 nan 0.000 0.444 516 E N 0.374 120.626 120.200 0.087 0.000 2.107 516 E HA -0.149 4.201 4.350 0.000 0.000 0.191 516 E C 1.327 177.908 176.600 -0.030 0.000 0.982 516 E CA 1.483 57.931 56.400 0.081 0.000 0.809 516 E CB -0.285 29.441 29.700 0.042 0.000 0.756 516 E HN 0.516 nan 8.360 nan 0.000 0.459 517 D N -0.096 120.285 120.400 -0.032 0.000 2.144 517 D HA -0.177 4.463 4.640 0.000 0.000 0.199 517 D C 1.890 177.937 176.300 -0.422 0.000 0.984 517 D CA 1.116 55.083 54.000 -0.056 0.000 0.834 517 D CB -0.300 40.604 40.800 0.175 0.000 0.955 517 D HN 0.323 nan 8.370 nan 0.000 0.465 518 M N -0.260 118.872 119.600 -0.779 0.000 2.086 518 M HA -0.209 4.271 4.480 0.000 0.000 0.261 518 M C 2.073 177.940 176.300 -0.723 0.000 1.067 518 M CA 1.229 55.727 55.300 -1.337 0.000 1.116 518 M CB -0.006 32.028 32.600 -0.944 0.000 1.348 518 M HN -0.041 nan 8.290 nan 0.000 0.407 519 M N 0.396 119.705 119.600 -0.485 0.000 2.073 519 M HA -0.187 4.293 4.480 0.000 0.000 0.258 519 M C 1.809 177.895 176.300 -0.356 0.000 1.070 519 M CA 2.525 57.550 55.300 -0.458 0.000 1.103 519 M CB -0.989 31.415 32.600 -0.327 0.000 1.321 519 M HN 0.287 nan 8.290 nan 0.000 0.405 520 T N -0.151 114.261 114.554 -0.237 0.000 2.746 520 T HA -0.162 4.188 4.350 0.000 0.000 0.267 520 T C 1.496 176.119 174.700 -0.128 0.000 1.039 520 T CA 1.744 63.759 62.100 -0.142 0.000 1.142 520 T CB -0.618 68.211 68.868 -0.065 0.000 0.866 520 T HN 0.530 nan 8.240 nan 0.000 0.444 521 D N 0.619 120.939 120.400 -0.135 0.000 2.123 521 D HA -0.084 4.556 4.640 0.000 0.000 0.196 521 D C 2.067 178.357 176.300 -0.017 0.000 0.992 521 D CA 0.930 54.964 54.000 0.057 0.000 0.833 521 D CB -0.237 40.719 40.800 0.261 0.000 0.954 521 D HN 0.274 nan 8.370 nan 0.000 0.455 522 M N -0.458 118.892 119.600 -0.416 0.000 2.108 522 M HA -0.195 4.285 4.480 0.000 0.000 0.261 522 M C 1.991 177.997 176.300 -0.490 0.000 1.066 522 M CA 1.397 56.198 55.300 -0.832 0.000 1.107 522 M CB -0.168 31.673 32.600 -1.265 0.000 1.356 522 M HN 0.216 nan 8.290 nan 0.000 0.406 523 C N -0.465 118.647 119.300 -0.314 0.000 2.429 523 C HA -0.116 4.344 4.460 0.000 0.000 0.277 523 C C 2.662 177.552 174.990 -0.167 0.000 1.262 523 C CA 0.872 59.810 59.018 -0.133 0.000 1.733 523 C CB -1.023 26.691 27.740 -0.042 0.000 2.010 523 C HN 0.498 nan 8.230 nan 0.000 0.483 524 V N 0.456 120.302 119.914 -0.113 0.000 2.323 524 V HA -0.266 3.854 4.120 0.000 0.000 0.244 524 V C 2.405 178.470 176.094 -0.047 0.000 1.041 524 V CA 2.209 64.475 62.300 -0.056 0.000 1.025 524 V CB -0.651 31.189 31.823 0.029 0.000 0.656 524 V HN 0.575 nan 8.190 nan 0.000 0.451 525 M N 0.733 120.346 119.600 0.022 0.000 2.132 525 M HA -0.160 4.320 4.480 0.000 0.000 0.263 525 M C 2.431 178.614 176.300 -0.195 0.000 1.065 525 M CA 2.289 57.672 55.300 0.138 0.000 1.122 525 M CB -0.187 32.654 32.600 0.401 0.000 1.365 525 M HN 0.551 nan 8.290 nan 0.000 0.411 526 S N 0.352 115.621 115.700 -0.718 0.000 2.423 526 S HA -0.024 4.446 4.470 0.000 0.000 0.231 526 S C 1.942 176.139 174.600 -0.671 0.000 1.014 526 S CA 0.874 58.226 58.200 -1.413 0.000 0.965 526 S CB -0.746 61.326 63.200 -1.879 0.000 0.785 526 S HN 0.557 nan 8.310 nan 0.000 0.495 527 A N 1.847 124.385 122.820 -0.470 0.000 2.125 527 A HA 0.024 4.344 4.320 0.000 0.000 0.219 527 A C 2.152 179.607 177.584 -0.216 0.000 1.156 527 A CA 1.230 53.047 52.037 -0.366 0.000 0.671 527 A CB -0.503 18.307 19.000 -0.317 0.000 0.794 527 A HN 0.630 nan 8.150 nan 0.000 0.459 528 K N -0.693 119.622 120.400 -0.142 0.000 2.365 528 K HA 0.059 4.379 4.320 0.000 0.000 0.199 528 K C 1.120 177.712 176.600 -0.013 0.000 1.045 528 K CA 0.643 56.897 56.287 -0.054 0.000 0.962 528 K CB 0.030 32.536 32.500 0.010 0.000 0.759 528 K HN 0.397 nan 8.250 nan 0.000 0.469 529 I N -0.678 119.897 120.570 0.009 0.000 3.172 529 I HA 0.150 4.320 4.170 0.000 0.000 0.278 529 I C 1.125 177.256 176.117 0.024 0.000 1.174 529 I CA 0.600 61.956 61.300 0.094 0.000 1.445 529 I CB 0.035 38.233 38.000 0.331 0.000 1.175 529 I HN 0.095 nan 8.210 nan 0.000 0.447 530 G N -0.659 108.101 108.800 -0.067 0.000 2.349 530 G HA2 0.453 4.413 3.960 0.000 0.000 0.294 530 G HA3 0.453 4.413 3.960 0.000 0.000 0.294 530 G C -0.673 174.086 174.900 -0.236 0.000 1.380 530 G CA -0.168 44.870 45.100 -0.103 0.000 0.811 530 G HN 0.282 nan 8.290 nan 0.000 0.519 531 G N -1.124 107.534 108.800 -0.236 0.000 2.537 531 G HA2 0.558 4.518 3.960 0.000 0.000 0.273 531 G HA3 0.558 4.518 3.960 0.000 0.000 0.273 531 G C -0.212 174.510 174.900 -0.295 0.000 1.189 531 G CA -0.521 44.355 45.100 -0.374 0.000 0.881 531 G HN 0.462 nan 8.290 nan 0.000 0.535 532 F N -0.740 119.118 119.950 -0.153 0.000 2.553 532 F HA 0.197 4.724 4.527 0.000 0.000 0.356 532 F C 0.716 176.460 175.800 -0.094 0.000 1.142 532 F CA -0.703 57.203 58.000 -0.158 0.000 1.322 532 F CB 0.555 39.451 39.000 -0.172 0.000 1.126 532 F HN 0.190 nan 8.300 nan 0.000 0.599 533 L N 5.627 126.922 121.223 0.119 0.000 2.313 533 L HA 0.436 4.776 4.340 0.000 0.000 0.282 533 L C -2.463 174.455 176.870 0.080 0.000 1.092 533 L CA -1.908 52.978 54.840 0.077 0.000 0.831 533 L CB 0.190 42.289 42.059 0.067 0.000 1.159 533 L HN 0.267 nan 8.230 nan 0.000 0.442 534 P HA 0.216 nan 4.420 nan 0.000 0.265 534 P C 0.597 177.949 177.300 0.086 0.000 1.193 534 P CA 0.962 64.103 63.100 0.068 0.000 0.765 534 P CB 0.740 32.475 31.700 0.058 0.000 0.823 535 G N 1.918 110.763 108.800 0.075 0.000 2.195 535 G HA2 -0.228 3.732 3.960 0.000 0.000 0.246 535 G HA3 -0.228 3.732 3.960 0.000 0.000 0.246 535 G C 0.406 175.393 174.900 0.145 0.000 0.984 535 G CA 0.189 45.353 45.100 0.106 0.000 0.633 535 G HN 0.519 nan 8.290 nan 0.000 0.525 536 S N 0.873 116.634 115.700 0.101 0.000 2.474 536 S HA 0.534 5.004 4.470 0.000 0.000 0.224 536 S C 0.445 174.969 174.600 -0.127 0.000 1.209 536 S CA -0.554 57.694 58.200 0.079 0.000 1.212 536 S CB 0.337 63.556 63.200 0.032 0.000 1.137 536 S HN 0.466 nan 8.310 nan 0.000 0.446 537 L N 2.462 123.602 121.223 -0.138 0.000 2.453 537 L HA 0.364 4.705 4.340 0.000 0.000 0.261 537 L C -2.034 174.552 176.870 -0.475 0.000 1.179 537 L CA -2.278 52.339 54.840 -0.371 0.000 0.813 537 L CB -0.050 41.854 42.059 -0.259 0.000 1.110 537 L HN 0.078 nan 8.230 nan 0.000 0.466 538 P HA -0.007 nan 4.420 nan 0.000 0.264 538 P C -1.393 175.682 177.300 -0.374 0.000 1.193 538 P CA 0.180 62.898 63.100 -0.637 0.000 0.763 538 P CB 0.455 31.686 31.700 -0.781 0.000 0.810 539 Q N 1.642 121.266 119.800 -0.294 0.000 2.527 539 Q HA 0.462 4.802 4.340 0.000 0.000 0.280 539 Q C -1.432 174.435 176.000 -0.222 0.000 0.977 539 Q CA -0.884 54.824 55.803 -0.159 0.000 0.837 539 Q CB 0.607 29.330 28.738 -0.026 0.000 1.454 539 Q HN 0.101 nan 8.270 nan 0.000 0.387 540 F N 1.470 121.369 119.950 -0.085 0.000 2.443 540 F HA 0.310 4.837 4.527 0.000 0.000 0.353 540 F C 0.661 176.432 175.800 -0.049 0.000 1.101 540 F CA -0.278 57.673 58.000 -0.081 0.000 1.226 540 F CB 0.902 39.844 39.000 -0.097 0.000 1.140 540 F HN 0.371 nan 8.300 nan 0.000 0.557 541 M N 2.282 121.940 119.600 0.097 0.000 2.291 541 M HA 0.217 4.697 4.480 0.000 0.000 0.324 541 M C 0.092 176.436 176.300 0.073 0.000 1.148 541 M CA -0.702 54.620 55.300 0.038 0.000 1.104 541 M CB 0.977 33.555 32.600 -0.037 0.000 1.483 541 M HN 0.490 nan 8.290 nan 0.000 0.467 542 K N 1.640 122.056 120.400 0.027 0.000 2.527 542 K HA 0.027 4.347 4.320 0.000 0.000 0.278 542 K C -2.267 174.356 176.600 0.038 0.000 0.981 542 K CA -0.850 55.453 56.287 0.026 0.000 1.009 542 K CB -0.353 32.136 32.500 -0.018 0.000 0.895 542 K HN 0.292 nan 8.250 nan 0.000 0.493 543 P HA -0.020 nan 4.420 nan 0.000 0.267 543 P C 0.442 177.670 177.300 -0.119 0.000 1.209 543 P CA 0.699 63.830 63.100 0.052 0.000 0.763 543 P CB 0.792 32.496 31.700 0.007 0.000 0.816 544 G N 2.548 111.282 108.800 -0.110 0.000 2.217 544 G HA2 -0.322 3.638 3.960 0.000 0.000 0.246 544 G HA3 -0.322 3.638 3.960 0.000 0.000 0.246 544 G C 0.773 175.624 174.900 -0.081 0.000 0.990 544 G CA 0.203 45.201 45.100 -0.171 0.000 0.627 544 G HN 0.521 nan 8.290 nan 0.000 0.522 545 L N 1.104 122.297 121.223 -0.050 0.000 2.131 545 L HA 0.128 4.468 4.340 0.000 0.000 0.210 545 L C 2.887 179.740 176.870 -0.028 0.000 1.092 545 L CA 2.549 57.363 54.840 -0.043 0.000 0.759 545 L CB -0.484 41.544 42.059 -0.053 0.000 0.903 545 L HN 0.580 nan 8.230 nan 0.000 0.435 546 V N 0.140 120.042 119.914 -0.019 0.000 2.453 546 V HA -0.244 3.876 4.120 0.000 0.000 0.252 546 V C 1.546 177.562 176.094 -0.130 0.000 1.068 546 V CA 1.628 63.900 62.300 -0.047 0.000 1.070 546 V CB -0.334 31.503 31.823 0.024 0.000 0.664 546 V HN 0.512 nan 8.190 nan 0.000 0.461 547 L N -0.143 121.070 121.223 -0.017 0.000 3.597 547 L HA -0.239 4.101 4.340 0.000 0.000 0.440 547 L C 0.335 177.352 176.870 0.244 0.000 1.277 547 L CA 0.945 55.836 54.840 0.085 0.000 0.852 547 L CB -2.610 39.526 42.059 0.127 0.000 1.708 547 L HN 0.591 nan 8.230 nan 0.000 0.885 548 H N -0.693 118.481 119.070 0.174 0.000 2.467 548 H HA 0.278 4.834 4.556 0.000 0.000 0.275 548 H C 0.545 176.010 175.328 0.228 0.000 1.131 548 H CA -1.105 55.086 56.048 0.239 0.000 0.989 548 H CB 0.714 30.658 29.762 0.303 0.000 1.696 548 H HN 0.207 nan 8.280 nan 0.000 0.574 549 L N 2.077 123.443 121.223 0.238 0.000 2.601 549 L HA 0.122 4.462 4.340 0.000 0.000 0.277 549 L C 0.666 177.665 176.870 0.215 0.000 1.219 549 L CA 0.812 55.743 54.840 0.152 0.000 0.915 549 L CB 0.224 42.337 42.059 0.090 0.000 1.160 549 L HN 0.296 nan 8.230 nan 0.000 0.494 550 G N 2.026 110.962 108.800 0.227 0.000 2.730 550 G HA2 0.535 4.495 3.960 0.000 0.000 0.289 550 G HA3 0.535 4.495 3.960 0.000 0.000 0.289 550 G C 0.364 175.366 174.900 0.170 0.000 1.341 550 G CA -0.304 44.951 45.100 0.259 0.000 0.932 550 G HN 1.289 nan 8.290 nan 0.000 0.481 551 G N -1.189 107.682 108.800 0.119 0.000 2.168 551 G HA2 -0.256 3.704 3.960 0.000 0.000 0.263 551 G HA3 -0.256 3.704 3.960 0.000 0.000 0.263 551 G C 1.326 176.286 174.900 0.100 0.000 0.977 551 G CA 1.684 46.855 45.100 0.118 0.000 0.659 551 G HN 1.845 nan 8.290 nan 0.000 0.533 552 T N -2.153 112.412 114.554 0.018 0.000 2.995 552 T HA 0.126 4.476 4.350 0.000 0.000 0.269 552 T C 1.094 175.875 174.700 0.135 0.000 1.091 552 T CA 1.861 64.014 62.100 0.089 0.000 1.128 552 T CB -0.243 68.685 68.868 0.099 0.000 0.891 552 T HN 1.540 nan 8.240 nan 0.000 0.492 553 H N -0.217 118.928 119.070 0.125 0.000 2.823 553 H HA 0.442 4.998 4.556 0.000 0.000 0.222 553 H C -0.158 175.213 175.328 0.071 0.000 1.414 553 H CA -1.400 54.697 56.048 0.081 0.000 1.289 553 H CB -0.457 29.320 29.762 0.024 0.000 1.970 553 H HN 0.366 nan 8.280 nan 0.000 0.517 554 R N 0.707 121.292 120.500 0.142 0.000 2.594 554 R HA 0.296 4.636 4.340 0.000 0.000 0.272 554 R C -0.305 176.056 176.300 0.101 0.000 1.074 554 R CA -0.707 55.449 56.100 0.093 0.000 1.105 554 R CB 0.980 31.327 30.300 0.078 0.000 1.008 554 R HN 0.464 nan 8.270 nan 0.000 0.472 555 M N 1.679 121.314 119.600 0.058 0.000 2.250 555 M HA 0.399 4.879 4.480 0.000 0.000 0.344 555 M C -0.383 175.912 176.300 -0.007 0.000 1.150 555 M CA 0.476 55.786 55.300 0.017 0.000 1.147 555 M CB 1.318 33.903 32.600 -0.025 0.000 1.498 555 M HN 0.968 nan 8.290 nan 0.000 0.461 556 G N 2.141 110.944 108.800 0.005 0.000 2.506 556 G HA2 0.383 4.343 3.960 0.000 0.000 0.292 556 G HA3 0.383 4.343 3.960 0.000 0.000 0.292 556 G C -0.867 174.033 174.900 -0.000 0.000 1.425 556 G CA -0.737 44.312 45.100 -0.085 0.000 0.788 556 G HN 0.677 nan 8.290 nan 0.000 0.490 557 F N 0.006 120.053 119.950 0.161 0.000 2.163 557 F HA 0.227 4.754 4.527 0.000 0.000 0.297 557 F C 1.188 177.114 175.800 0.210 0.000 1.094 557 F CA 1.217 59.317 58.000 0.166 0.000 1.290 557 F CB 0.310 39.367 39.000 0.095 0.000 1.017 557 F HN 0.400 nan 8.300 nan 0.000 0.483 558 D N -0.909 119.649 120.400 0.264 0.000 2.629 558 D HA 0.132 4.772 4.640 0.000 0.000 0.250 558 D C 0.759 176.893 176.300 -0.277 0.000 1.126 558 D CA -0.265 53.734 54.000 -0.000 0.000 0.852 558 D CB 1.316 42.135 40.800 0.031 0.000 1.335 558 D HN 0.091 nan 8.370 nan 0.000 0.518 559 E N 3.145 122.827 120.200 -0.863 0.000 2.049 559 E HA -0.292 4.058 4.350 0.000 0.000 0.198 559 E C 1.298 177.709 176.600 -0.315 0.000 1.007 559 E CA 1.343 57.206 56.400 -0.895 0.000 0.809 559 E CB 0.268 29.328 29.700 -1.066 0.000 0.749 559 E HN 0.430 nan 8.360 nan 0.000 0.450 560 K N 0.013 120.281 120.400 -0.221 0.000 2.021 560 K HA -0.134 4.186 4.320 0.000 0.000 0.205 560 K C 2.097 178.663 176.600 -0.058 0.000 1.047 560 K CA 1.505 57.733 56.287 -0.098 0.000 0.943 560 K CB 0.043 32.502 32.500 -0.068 0.000 0.725 560 K HN 0.103 nan 8.250 nan 0.000 0.439 561 E N 0.336 120.508 120.200 -0.046 0.000 2.150 561 E HA -0.145 4.205 4.350 0.000 0.000 0.193 561 E C 0.761 177.359 176.600 -0.004 0.000 0.985 561 E CA 1.076 57.471 56.400 -0.008 0.000 0.814 561 E CB 0.139 29.847 29.700 0.014 0.000 0.752 561 E HN 0.325 nan 8.360 nan 0.000 0.466 562 D N 0.064 120.455 120.400 -0.015 0.000 2.363 562 D HA 0.059 4.699 4.640 0.000 0.000 0.214 562 D C -0.649 175.586 176.300 -0.108 0.000 1.093 562 D CA -0.027 53.958 54.000 -0.025 0.000 0.837 562 D CB 0.081 40.902 40.800 0.036 0.000 0.948 562 D HN 0.081 nan 8.370 nan 0.000 0.507 563 N N 0.612 119.245 118.700 -0.112 0.000 2.667 563 N HA -0.189 4.551 4.740 0.000 0.000 0.263 563 N C -0.273 175.157 175.510 -0.133 0.000 1.038 563 N CA 0.558 53.517 53.050 -0.152 0.000 0.749 563 N CB -1.431 36.840 38.487 -0.361 0.000 0.892 563 N HN 0.407 nan 8.380 nan 0.000 0.546 564 C N -3.411 115.887 119.300 -0.002 0.000 3.318 564 C HA 0.781 5.241 4.460 0.000 0.000 0.329 564 C C 1.383 176.535 174.990 0.271 0.000 1.449 564 C CA -0.651 58.437 59.018 0.117 0.000 1.397 564 C CB 1.550 29.385 27.740 0.157 0.000 1.810 564 C HN 0.493 nan 8.230 nan 0.000 0.449 565 C N 0.218 119.714 119.300 0.327 0.000 2.937 565 C HA 0.472 4.932 4.460 0.000 0.000 0.426 565 C C 0.691 175.791 174.990 0.183 0.000 1.321 565 C CA 0.549 59.765 59.018 0.329 0.000 2.082 565 C CB -0.428 27.420 27.740 0.181 0.000 2.834 565 C HN 0.945 nan 8.230 nan 0.000 0.593 566 V N 1.498 121.403 119.914 -0.016 0.000 2.864 566 V HA 0.705 4.825 4.120 0.000 0.000 0.314 566 V C -0.645 175.104 176.094 -0.576 0.000 1.073 566 V CA -0.635 61.417 62.300 -0.414 0.000 0.956 566 V CB 1.451 33.155 31.823 -0.199 0.000 1.023 566 V HN 0.424 nan 8.190 nan 0.000 0.435 567 N N 1.036 119.220 118.700 -0.860 0.000 2.431 567 N HA 0.232 4.972 4.740 0.000 0.000 0.289 567 N C 1.103 176.474 175.510 -0.232 0.000 1.277 567 N CA 0.261 53.031 53.050 -0.467 0.000 0.972 567 N CB -0.135 38.093 38.487 -0.431 0.000 1.143 567 N HN 0.922 nan 8.380 nan 0.000 0.578 568 T N -4.660 109.811 114.554 -0.138 0.000 3.072 568 T HA -0.021 4.329 4.350 0.000 0.000 0.266 568 T C 0.201 174.827 174.700 -0.123 0.000 1.127 568 T CA 0.748 62.769 62.100 -0.130 0.000 1.107 568 T CB -0.407 68.408 68.868 -0.087 0.000 0.910 568 T HN 0.443 nan 8.240 nan 0.000 0.513 569 D N 1.109 121.424 120.400 -0.140 0.000 2.328 569 D HA 0.173 4.813 4.640 0.000 0.000 0.226 569 D C 0.564 176.861 176.300 -0.004 0.000 1.066 569 D CA 0.156 54.089 54.000 -0.111 0.000 0.861 569 D CB 0.025 40.638 40.800 -0.311 0.000 0.912 569 D HN 0.339 nan 8.370 nan 0.000 0.521 570 S N 0.205 115.874 115.700 -0.051 0.000 3.561 570 S HA -0.253 4.217 4.470 0.000 0.000 0.318 570 S C 0.513 175.103 174.600 -0.017 0.000 1.181 570 S CA 0.426 58.632 58.200 0.009 0.000 0.916 570 S CB -1.312 61.967 63.200 0.130 0.000 0.966 570 S HN 0.472 nan 8.310 nan 0.000 0.550 571 R N 1.155 121.518 120.500 -0.227 0.000 2.297 571 R HA 0.478 4.819 4.340 0.000 0.000 0.308 571 R C -0.088 175.900 176.300 -0.521 0.000 1.029 571 R CA -0.447 55.337 56.100 -0.528 0.000 0.929 571 R CB 0.725 30.668 30.300 -0.596 0.000 1.046 571 R HN 0.132 nan 8.270 nan 0.000 0.461 572 V N 6.316 125.957 119.914 -0.454 0.000 2.529 572 V HA 0.003 4.123 4.120 0.000 0.000 0.292 572 V C 0.188 176.220 176.094 -0.102 0.000 1.028 572 V CA 0.210 62.332 62.300 -0.296 0.000 1.074 572 V CB -0.201 31.428 31.823 -0.325 0.000 0.958 572 V HN 0.576 nan 8.190 nan 0.000 0.481 573 F N 4.016 124.000 119.950 0.056 0.000 2.623 573 F HA 0.356 4.883 4.527 0.000 0.000 0.386 573 F C 1.600 177.527 175.800 0.211 0.000 1.068 573 F CA 1.648 59.709 58.000 0.100 0.000 1.265 573 F CB -0.151 38.902 39.000 0.089 0.000 1.026 573 F HN 0.798 nan 8.300 nan 0.000 0.568 574 G N 2.192 111.169 108.800 0.295 0.000 2.268 574 G HA2 -0.302 3.658 3.960 0.000 0.000 0.240 574 G HA3 -0.302 3.658 3.960 0.000 0.000 0.240 574 G C -0.053 174.795 174.900 -0.087 0.000 1.010 574 G CA -0.436 44.733 45.100 0.115 0.000 0.618 574 G HN 0.438 nan 8.290 nan 0.000 0.516 575 F N 1.537 121.511 119.950 0.039 0.000 2.415 575 F HA 0.559 5.086 4.527 0.000 0.000 0.348 575 F C 1.534 177.321 175.800 -0.022 0.000 1.119 575 F CA -0.697 57.311 58.000 0.013 0.000 1.069 575 F CB 1.613 40.614 39.000 0.003 0.000 1.124 575 F HN -0.125 nan 8.300 nan 0.000 0.472 576 K N 1.456 121.952 120.400 0.160 0.000 2.217 576 K HA -0.080 4.240 4.320 0.000 0.000 0.202 576 K C 0.604 177.408 176.600 0.340 0.000 1.051 576 K CA 1.155 57.575 56.287 0.222 0.000 0.952 576 K CB -0.002 32.632 32.500 0.223 0.000 0.736 576 K HN 0.589 nan 8.250 nan 0.000 0.453 577 N N 0.223 119.082 118.700 0.264 0.000 2.466 577 N HA 0.057 4.797 4.740 0.000 0.000 0.272 577 N C -0.946 174.653 175.510 0.148 0.000 1.455 577 N CA -0.326 52.909 53.050 0.308 0.000 0.875 577 N CB 0.095 38.825 38.487 0.405 0.000 1.372 577 N HN -0.045 nan 8.380 nan 0.000 0.492 578 L N 0.533 121.615 121.223 -0.234 0.000 2.409 578 L HA 0.721 5.061 4.340 0.000 0.000 0.272 578 L C -1.919 174.555 176.870 -0.661 0.000 0.980 578 L CA -0.568 54.121 54.840 -0.252 0.000 0.826 578 L CB 1.150 43.061 42.059 -0.247 0.000 1.268 578 L HN -0.008 nan 8.230 nan 0.000 0.407 579 F N 4.813 124.682 119.950 -0.136 0.000 2.576 579 F HA 0.677 5.204 4.527 0.000 0.000 0.313 579 F C -0.663 174.989 175.800 -0.247 0.000 1.078 579 F CA -0.690 57.212 58.000 -0.164 0.000 0.921 579 F CB 1.932 40.869 39.000 -0.105 0.000 1.232 579 F HN 0.182 nan 8.300 nan 0.000 0.459 580 L N 1.868 123.048 121.223 -0.071 0.000 2.346 580 L HA 0.894 5.234 4.340 0.000 0.000 0.276 580 L C 0.017 176.890 176.870 0.004 0.000 1.006 580 L CA -0.817 53.908 54.840 -0.191 0.000 0.817 580 L CB 1.938 43.722 42.059 -0.458 0.000 1.272 580 L HN 0.788 nan 8.230 nan 0.000 0.421 581 G N 0.320 109.135 108.800 0.026 0.000 2.519 581 G HA2 0.802 4.762 3.960 0.000 0.000 0.307 581 G HA3 0.802 4.762 3.960 0.000 0.000 0.307 581 G C -0.511 174.508 174.900 0.198 0.000 1.266 581 G CA -0.287 44.929 45.100 0.194 0.000 0.970 581 G HN 0.969 nan 8.290 nan 0.000 0.481 582 G N -1.297 107.614 108.800 0.185 0.000 2.343 582 G HA2 0.062 4.022 3.960 0.000 0.000 0.465 582 G HA3 0.062 4.022 3.960 0.000 0.000 0.465 582 G C 0.746 175.699 174.900 0.088 0.000 1.282 582 G CA 0.064 45.248 45.100 0.140 0.000 0.996 582 G HN 1.173 nan 8.290 nan 0.000 0.521 583 C N 0.676 120.006 119.300 0.050 0.000 2.419 583 C HA 0.214 4.674 4.460 0.000 0.000 0.283 583 C C 3.021 177.989 174.990 -0.036 0.000 1.373 583 C CA 1.737 60.764 59.018 0.014 0.000 1.781 583 C CB -1.334 26.447 27.740 0.067 0.000 1.886 583 C HN 1.273 nan 8.230 nan 0.000 0.520 584 G N 1.215 109.899 108.800 -0.192 0.000 2.479 584 G HA2 -0.222 3.739 3.960 0.000 0.000 0.220 584 G HA3 -0.222 3.739 3.960 0.000 0.000 0.220 584 G C 1.433 175.975 174.900 -0.597 0.000 1.115 584 G CA 0.775 45.471 45.100 -0.674 0.000 0.757 584 G HN 0.550 nan 8.290 nan 0.000 0.560 585 N N 0.251 118.825 118.700 -0.210 0.000 2.409 585 N HA 0.040 4.780 4.740 0.000 0.000 0.179 585 N C 0.855 176.380 175.510 0.024 0.000 1.032 585 N CA 0.140 53.204 53.050 0.023 0.000 0.898 585 N CB 0.086 38.637 38.487 0.105 0.000 0.971 585 N HN 0.301 nan 8.380 nan 0.000 0.441 586 I N 2.893 123.476 120.570 0.023 0.000 2.452 586 I HA 0.056 4.226 4.170 0.000 0.000 0.287 586 I C -1.357 174.846 176.117 0.144 0.000 1.079 586 I CA -1.061 60.281 61.300 0.070 0.000 1.387 586 I CB 1.395 39.392 38.000 -0.005 0.000 1.404 586 I HN -0.068 nan 8.210 nan 0.000 0.522 587 P HA 0.068 nan 4.420 nan 0.000 0.267 587 P C 0.258 177.644 177.300 0.143 0.000 1.289 587 P CA 0.196 63.364 63.100 0.114 0.000 0.866 587 P CB 0.270 31.997 31.700 0.044 0.000 1.309 588 T N -2.135 112.537 114.554 0.197 0.000 2.897 588 T HA 0.683 5.033 4.350 0.000 0.000 0.278 588 T C 0.191 175.017 174.700 0.210 0.000 0.981 588 T CA -0.846 61.357 62.100 0.173 0.000 0.973 588 T CB 1.126 70.076 68.868 0.137 0.000 1.092 588 T HN 0.055 nan 8.240 nan 0.000 0.543 589 A N 1.716 124.596 122.820 0.099 0.000 2.302 589 A HA 0.612 4.932 4.320 0.000 0.000 0.295 589 A C -0.667 176.882 177.584 -0.057 0.000 1.235 589 A CA -0.872 51.172 52.037 0.011 0.000 0.876 589 A CB -0.827 18.203 19.000 0.049 0.000 1.133 589 A HN 0.880 nan 8.150 nan 0.000 0.533 590 Y N -0.255 119.961 120.300 -0.140 0.000 2.477 590 Y HA 0.714 5.264 4.550 0.000 0.000 0.347 590 Y C 0.717 176.490 175.900 -0.210 0.000 0.981 590 Y CA -0.675 57.158 58.100 -0.445 0.000 1.033 590 Y CB 1.454 39.449 38.460 -0.775 0.000 1.245 590 Y HN 0.399 nan 8.280 nan 0.000 0.455 591 G N 0.698 109.416 108.800 -0.136 0.000 2.673 591 G HA2 0.391 4.351 3.960 0.000 0.000 0.208 591 G HA3 0.391 4.351 3.960 0.000 0.000 0.208 591 G C 0.466 175.462 174.900 0.160 0.000 1.128 591 G CA 0.202 45.420 45.100 0.196 0.000 0.805 591 G HN 0.952 nan 8.290 nan 0.000 0.526 592 A N 0.665 123.401 122.820 -0.141 0.000 2.327 592 A HA 0.495 4.815 4.320 0.000 0.000 0.255 592 A C -0.109 177.371 177.584 -0.174 0.000 1.099 592 A CA -0.471 51.367 52.037 -0.332 0.000 0.801 592 A CB 0.057 18.862 19.000 -0.324 0.000 1.062 592 A HN 0.350 nan 8.150 nan 0.000 0.496 593 N N 1.493 119.971 118.700 -0.370 0.000 2.475 593 N HA 0.268 5.009 4.740 0.000 0.000 0.267 593 N C -2.030 173.374 175.510 -0.176 0.000 1.169 593 N CA -0.985 51.815 53.050 -0.417 0.000 0.947 593 N CB 0.637 38.969 38.487 -0.258 0.000 1.061 593 N HN 0.412 nan 8.380 nan 0.000 0.466 594 P HA -0.017 nan 4.420 nan 0.000 0.240 594 P C 0.447 177.644 177.300 -0.171 0.000 1.190 594 P CA 0.677 63.663 63.100 -0.191 0.000 0.781 594 P CB 0.344 31.900 31.700 -0.240 0.000 0.931 595 T N 0.953 115.483 114.554 -0.040 0.000 2.746 595 T HA -0.123 4.227 4.350 0.000 0.000 0.267 595 T C 1.776 176.561 174.700 0.142 0.000 1.039 595 T CA 0.901 63.037 62.100 0.060 0.000 1.142 595 T CB -0.810 68.121 68.868 0.106 0.000 0.866 595 T HN 0.015 nan 8.240 nan 0.000 0.444 596 L N 1.134 122.465 121.223 0.180 0.000 2.079 596 L HA -0.112 4.228 4.340 0.000 0.000 0.210 596 L C 2.490 179.440 176.870 0.132 0.000 1.081 596 L CA 1.751 56.743 54.840 0.254 0.000 0.752 596 L CB -1.030 41.156 42.059 0.212 0.000 0.896 596 L HN 0.203 nan 8.230 nan 0.000 0.433 597 T N -0.571 113.935 114.554 -0.081 0.000 2.777 597 T HA -0.111 4.240 4.350 0.000 0.000 0.266 597 T C 1.905 176.526 174.700 -0.132 0.000 1.040 597 T CA 1.176 63.139 62.100 -0.228 0.000 1.141 597 T CB -0.453 67.874 68.868 -0.903 0.000 0.868 597 T HN 0.509 nan 8.240 nan 0.000 0.444 598 A N 1.564 124.311 122.820 -0.121 0.000 1.933 598 A HA -0.069 4.251 4.320 0.000 0.000 0.218 598 A C 2.306 179.859 177.584 -0.052 0.000 1.175 598 A CA 1.799 53.801 52.037 -0.058 0.000 0.628 598 A CB -0.728 18.258 19.000 -0.024 0.000 0.814 598 A HN 0.528 nan 8.150 nan 0.000 0.444 599 M N -0.371 119.207 119.600 -0.037 0.000 2.159 599 M HA -0.133 4.347 4.480 0.000 0.000 0.263 599 M C 2.074 178.286 176.300 -0.147 0.000 1.063 599 M CA 2.046 57.295 55.300 -0.086 0.000 1.110 599 M CB -0.137 32.412 32.600 -0.085 0.000 1.374 599 M HN 0.365 nan 8.290 nan 0.000 0.411 600 S N 1.120 116.732 115.700 -0.148 0.000 2.368 600 S HA -0.099 4.371 4.470 0.000 0.000 0.225 600 S C 1.750 176.155 174.600 -0.325 0.000 1.030 600 S CA 1.301 59.348 58.200 -0.255 0.000 0.999 600 S CB -0.467 62.533 63.200 -0.335 0.000 0.844 600 S HN 0.510 nan 8.310 nan 0.000 0.459 601 L N 1.095 122.166 121.223 -0.253 0.000 2.046 601 L HA -0.130 4.210 4.340 0.000 0.000 0.208 601 L C 2.803 179.538 176.870 -0.225 0.000 1.077 601 L CA 1.192 55.889 54.840 -0.239 0.000 0.747 601 L CB -0.729 41.260 42.059 -0.117 0.000 0.896 601 L HN 0.322 nan 8.230 nan 0.000 0.432 602 A N 0.344 123.027 122.820 -0.229 0.000 1.902 602 A HA -0.185 4.135 4.320 0.000 0.000 0.217 602 A C 2.225 179.494 177.584 -0.524 0.000 1.181 602 A CA 1.488 53.277 52.037 -0.413 0.000 0.623 602 A CB -0.659 18.103 19.000 -0.397 0.000 0.818 602 A HN 0.348 nan 8.150 nan 0.000 0.443 603 I N -0.497 119.854 120.570 -0.365 0.000 2.208 603 I HA -0.299 3.871 4.170 0.000 0.000 0.245 603 I C 2.569 178.520 176.117 -0.276 0.000 1.097 603 I CA 1.994 63.113 61.300 -0.302 0.000 1.363 603 I CB -0.235 37.608 38.000 -0.262 0.000 1.051 603 I HN 0.412 nan 8.210 nan 0.000 0.413 604 K N 0.454 120.688 120.400 -0.277 0.000 2.057 604 K HA -0.210 4.110 4.320 0.000 0.000 0.207 604 K C 2.352 178.862 176.600 -0.150 0.000 1.049 604 K CA 1.767 57.921 56.287 -0.223 0.000 0.931 604 K CB -0.119 32.214 32.500 -0.278 0.000 0.714 604 K HN 0.105 nan 8.250 nan 0.000 0.440 605 S N 0.072 115.665 115.700 -0.178 0.000 2.359 605 S HA -0.183 4.287 4.470 0.000 0.000 0.224 605 S C 2.067 176.563 174.600 -0.174 0.000 1.035 605 S CA 1.538 59.671 58.200 -0.112 0.000 1.018 605 S CB -0.522 62.644 63.200 -0.056 0.000 0.876 605 S HN 0.581 nan 8.310 nan 0.000 0.448 606 C N 1.469 120.577 119.300 -0.319 0.000 2.413 606 C HA -0.032 4.428 4.460 0.000 0.000 0.277 606 C C 2.495 177.391 174.990 -0.155 0.000 1.265 606 C CA 0.806 59.653 59.018 -0.285 0.000 1.752 606 C CB -1.549 25.988 27.740 -0.339 0.000 1.998 606 C HN 0.681 nan 8.230 nan 0.000 0.489 607 E N -0.551 119.581 120.200 -0.112 0.000 2.097 607 E HA -0.283 4.067 4.350 0.000 0.000 0.196 607 E C 1.853 178.451 176.600 -0.002 0.000 1.000 607 E CA 1.780 58.148 56.400 -0.052 0.000 0.804 607 E CB -0.338 29.328 29.700 -0.057 0.000 0.740 607 E HN 0.846 nan 8.360 nan 0.000 0.454 608 Y N 1.088 121.346 120.300 -0.069 0.000 2.163 608 Y HA -0.182 4.368 4.550 0.000 0.000 0.288 608 Y C 2.004 177.923 175.900 0.031 0.000 1.136 608 Y CA 1.412 59.513 58.100 0.002 0.000 1.147 608 Y CB -0.092 38.403 38.460 0.059 0.000 0.987 608 Y HN -0.061 nan 8.280 nan 0.000 0.509 609 I N 0.411 121.011 120.570 0.049 0.000 2.208 609 I HA -0.350 3.820 4.170 0.000 0.000 0.245 609 I C 2.277 178.423 176.117 0.048 0.000 1.097 609 I CA 1.721 63.030 61.300 0.015 0.000 1.363 609 I CB -0.389 37.415 38.000 -0.325 0.000 1.051 609 I HN 0.205 nan 8.210 nan 0.000 0.413 610 K N 0.360 120.749 120.400 -0.019 0.000 2.097 610 K HA -0.199 4.121 4.320 0.000 0.000 0.206 610 K C 2.038 178.674 176.600 0.060 0.000 1.049 610 K CA 1.238 57.588 56.287 0.104 0.000 0.933 610 K CB -0.158 32.390 32.500 0.080 0.000 0.717 610 K HN 0.414 nan 8.250 nan 0.000 0.442 611 Q N 0.017 119.776 119.800 -0.069 0.000 2.436 611 Q HA 0.007 4.347 4.340 0.000 0.000 0.209 611 Q C 0.953 176.824 176.000 -0.215 0.000 0.965 611 Q CA 0.686 56.408 55.803 -0.135 0.000 0.910 611 Q CB 0.280 28.910 28.738 -0.180 0.000 0.980 611 Q HN 0.281 nan 8.270 nan 0.000 0.491 612 N N -1.260 117.282 118.700 -0.262 0.000 2.143 612 N HA 0.153 4.893 4.740 0.000 0.000 0.222 612 N C -0.993 174.077 175.510 -0.733 0.000 1.264 612 N CA 0.204 52.959 53.050 -0.492 0.000 0.897 612 N CB 1.070 39.109 38.487 -0.747 0.000 1.092 612 N HN 0.001 nan 8.380 nan 0.000 0.516 613 F N 0.458 120.430 119.950 0.037 0.000 2.578 613 F HA 0.370 4.897 4.527 0.000 0.000 0.311 613 F C 0.056 175.985 175.800 0.215 0.000 1.094 613 F CA -0.693 57.390 58.000 0.138 0.000 0.923 613 F CB 1.859 40.960 39.000 0.168 0.000 1.230 613 F HN -0.374 nan 8.300 nan 0.000 0.450 614 T N 3.374 118.100 114.554 0.287 0.000 2.794 614 T HA 0.451 4.801 4.350 0.000 0.000 0.280 614 T C -2.636 172.077 174.700 0.020 0.000 0.987 614 T CA -1.507 60.654 62.100 0.102 0.000 0.993 614 T CB 1.304 70.192 68.868 0.033 0.000 0.939 614 T HN 0.127 nan 8.240 nan 0.000 0.449 615 P HA 0.177 nan 4.420 nan 0.000 0.269 615 P C -0.032 177.182 177.300 -0.144 0.000 1.209 615 P CA -0.503 62.333 63.100 -0.441 0.000 0.776 615 P CB 0.307 31.549 31.700 -0.764 0.000 0.876 616 S N 2.966 118.630 115.700 -0.060 0.000 2.579 616 S HA 0.332 4.802 4.470 0.000 0.000 0.275 616 S C -2.099 172.497 174.600 -0.006 0.000 1.345 616 S CA -0.977 57.215 58.200 -0.013 0.000 1.031 616 S CB -0.773 62.428 63.200 0.001 0.000 0.892 616 S HN 0.328 nan 8.310 nan 0.000 0.529 617 P HA 0.158 nan 4.420 nan 0.000 0.275 617 P C -0.632 176.762 177.300 0.157 0.000 1.228 617 P CA -0.521 62.614 63.100 0.059 0.000 0.786 617 P CB 0.185 31.910 31.700 0.040 0.000 0.927 618 F N 2.606 122.538 119.950 -0.031 0.000 2.640 618 F HA 0.189 4.716 4.527 0.000 0.000 0.354 618 F C 0.682 176.472 175.800 -0.016 0.000 1.213 618 F CA -0.670 57.319 58.000 -0.020 0.000 1.314 618 F CB -1.251 37.740 39.000 -0.016 0.000 1.679 618 F HN 0.155 nan 8.300 nan 0.000 0.622 619 T N 0.000 114.700 114.554 0.243 0.000 3.816 619 T HA 0.000 4.350 4.350 0.000 0.000 0.228 619 T CA 0.000 62.171 62.100 0.118 0.000 1.349 619 T CB 0.000 68.911 68.868 0.071 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658