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 3m1c_1_A DATA FIRST_RESID 49 DATA SEQUENCE RLWLPNTPDA SDPQRGRLAP PGELNLTTAS VPMLRWYAER FCFVLVTTAE DATA SEQUENCE FPRDPGQLLY IPKTYLLXXX XXXXXXXXXX XXXXXXXXAE VTQLKGLSHN DATA SEQUENCE PGASALLRSR AWVTFAAAPD REGLTFPRGD DGATERHPDG RRNAPPPGPP DATA SEQUENCE AGTPRHPTTN LSIAHLHNAS VTWLAARGLL RTPGRYVYLS PSASTWPVGV DATA SEQUENCE WTTGGLAFGc DAALVRARYG KGFMGLVISM RDSPPAEIIV VPADKTLARV DATA SEQUENCE GNPTDENAPA VLPGPPAGPR YRVFVLGAPX XXXNGSALDA LRRVAGYPEE DATA SEQUENCE STNYAQYMSR AYAEFLGEDP GSGTDARPSL FWRLAGLLAS SGFAFVNAAH DATA SEQUENCE AHDAIRLSDL LGFLAHSRVL AGLAARGAAG cAADSVFLNV SVLDPAARLR DATA SEQUENCE LEARLGHLVA AILEREQSLV AHALGYQLAF VLDSPAAYGA VAPSAARLID DATA SEQUENCE ALYAEFLGGR ALTAPMVRRA LFYATAVLRA PFLAGAPSAE QRERARRGLL DATA SEQUENCE ITTALcTSDV AAATHADLRA ALARTDHQKN LFWLPDHFSP cAASLRFDLA DATA SEQUENCE EGGFILDALA MATRSDIPAD VMAQQTRGVA SVLTRWAHYN ALIRAFVPEA DATA SEQUENCE THQcSGPSHN AEPRILVPIT HNASYVVTHT PLPRGIGYKL TGVDVRRPLF DATA SEQUENCE ITYLTATcEG HAREIEPKRL VXXXXXRDLG LVGAVFLRYT PAGEVMSVLL DATA SEQUENCE VDTDATQQQL AQGPVAGTPN VFSSDVPSVA LLLFPNGTVI HLLAFDTLP 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 49 R HA 0.000 nan 4.340 nan 0.000 0.208 49 R C 0.000 176.335 176.300 0.059 0.000 0.893 49 R CA 0.000 56.121 56.100 0.035 0.000 0.921 49 R CB 0.000 30.297 30.300 -0.005 0.000 0.687 50 L N 0.907 122.084 121.223 -0.076 0.000 2.372 50 L HA 0.527 4.867 4.340 -0.000 0.000 0.274 50 L C -1.724 175.101 176.870 -0.074 0.000 0.988 50 L CA -0.150 54.687 54.840 -0.005 0.000 0.833 50 L CB 1.161 43.206 42.059 -0.024 0.000 1.236 50 L HN 0.492 nan 8.230 nan 0.000 0.410 51 W N 6.633 128.013 121.300 0.134 0.000 2.329 51 W HA 0.584 5.244 4.660 -0.000 0.000 0.312 51 W C -0.492 176.171 176.519 0.239 0.000 1.054 51 W CA -0.478 57.006 57.345 0.232 0.000 1.245 51 W CB 1.599 31.231 29.460 0.287 0.000 1.255 51 W HN 0.309 nan 8.180 nan 0.000 0.436 52 L N 7.559 128.998 121.223 0.361 0.000 2.625 52 L HA 0.427 4.767 4.340 -0.000 0.000 0.255 52 L C -2.282 174.703 176.870 0.191 0.000 1.493 52 L CA -2.117 52.872 54.840 0.248 0.000 0.796 52 L CB -0.085 42.052 42.059 0.130 0.000 1.064 52 L HN 0.069 nan 8.230 nan 0.000 0.516 53 P HA 0.059 nan 4.420 nan 0.000 0.272 53 P C -0.516 176.799 177.300 0.025 0.000 1.223 53 P CA -0.077 63.095 63.100 0.120 0.000 0.784 53 P CB 0.757 32.480 31.700 0.038 0.000 0.923 54 N N 1.617 120.327 118.700 0.018 0.000 2.663 54 N HA 0.053 4.793 4.740 -0.000 0.000 0.250 54 N C -0.045 175.450 175.510 -0.025 0.000 1.129 54 N CA -0.142 52.908 53.050 0.001 0.000 0.995 54 N CB 0.178 38.673 38.487 0.014 0.000 1.324 54 N HN 0.422 nan 8.380 nan 0.000 0.512 55 T N 1.476 116.000 114.554 -0.051 0.000 2.932 55 T HA 0.248 4.598 4.350 -0.000 0.000 0.312 55 T C -2.257 172.427 174.700 -0.025 0.000 1.071 55 T CA -0.980 61.091 62.100 -0.048 0.000 1.128 55 T CB 1.077 69.900 68.868 -0.074 0.000 0.984 55 T HN 0.295 nan 8.240 nan 0.000 0.549 56 P HA 0.490 nan 4.420 nan 0.000 0.312 56 P C -0.990 176.299 177.300 -0.018 0.000 1.308 56 P CA -0.375 62.721 63.100 -0.006 0.000 0.743 56 P CB 0.439 32.144 31.700 0.009 0.000 1.364 57 D N -2.450 117.943 120.400 -0.012 0.000 2.896 57 D HA 0.393 5.033 4.640 -0.000 0.000 0.241 57 D C 0.688 176.982 176.300 -0.010 0.000 1.188 57 D CA -0.741 53.248 54.000 -0.018 0.000 0.879 57 D CB 1.714 42.505 40.800 -0.015 0.000 1.553 57 D HN 0.265 nan 8.370 nan 0.000 0.515 58 A N 2.536 125.347 122.820 -0.015 0.000 2.117 58 A HA -0.221 4.099 4.320 -0.000 0.000 0.224 58 A C 1.865 179.451 177.584 0.003 0.000 1.167 58 A CA 2.404 54.439 52.037 -0.004 0.000 0.664 58 A CB -0.357 18.637 19.000 -0.010 0.000 0.811 58 A HN 0.525 nan 8.150 nan 0.000 0.470 59 S N -0.548 115.152 115.700 -0.000 0.000 2.395 59 S HA -0.023 4.447 4.470 -0.000 0.000 0.225 59 S C 0.562 175.166 174.600 0.006 0.000 1.027 59 S CA 0.295 58.496 58.200 0.002 0.000 0.965 59 S CB -0.425 62.775 63.200 -0.001 0.000 0.812 59 S HN 0.699 nan 8.310 nan 0.000 0.482 60 D N 2.767 123.171 120.400 0.006 0.000 2.877 60 D HA -0.047 4.593 4.640 -0.000 0.000 0.220 60 D C -1.326 174.982 176.300 0.012 0.000 1.089 60 D CA -0.213 53.792 54.000 0.009 0.000 0.811 60 D CB 0.738 41.544 40.800 0.010 0.000 1.162 60 D HN 0.162 nan 8.370 nan 0.000 0.513 61 P HA -0.114 nan 4.420 nan 0.000 0.225 61 P C 0.653 177.962 177.300 0.015 0.000 1.156 61 P CA 1.066 64.173 63.100 0.012 0.000 0.787 61 P CB 0.540 32.246 31.700 0.009 0.000 0.802 62 Q N 0.057 119.867 119.800 0.016 0.000 2.363 62 Q HA 0.099 4.439 4.340 -0.000 0.000 0.192 62 Q C 1.889 177.903 176.000 0.024 0.000 0.994 62 Q CA 0.208 56.021 55.803 0.018 0.000 0.848 62 Q CB 0.076 28.823 28.738 0.015 0.000 0.987 62 Q HN 0.150 nan 8.270 nan 0.000 0.559 63 R N 0.589 121.103 120.500 0.024 0.000 2.404 63 R HA 0.186 4.526 4.340 -0.000 0.000 0.236 63 R C 1.367 177.688 176.300 0.035 0.000 1.044 63 R CA 0.533 56.652 56.100 0.031 0.000 1.133 63 R CB -0.245 30.071 30.300 0.027 0.000 1.142 63 R HN 0.218 nan 8.270 nan 0.000 0.512 64 G N 1.607 110.426 108.800 0.032 0.000 2.418 64 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 64 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 64 G C 1.443 176.369 174.900 0.044 0.000 1.158 64 G CA 0.100 45.218 45.100 0.030 0.000 0.771 64 G HN 0.293 nan 8.290 nan 0.000 0.545 65 R N -0.334 120.202 120.500 0.060 0.000 2.357 65 R HA 0.227 4.567 4.340 -0.000 0.000 0.202 65 R C 1.401 177.764 176.300 0.106 0.000 1.047 65 R CA 0.204 56.356 56.100 0.087 0.000 1.034 65 R CB -0.130 30.234 30.300 0.107 0.000 0.875 65 R HN 0.345 nan 8.270 nan 0.000 0.473 66 L N -0.396 120.881 121.223 0.090 0.000 2.769 66 L HA 0.364 4.704 4.340 -0.000 0.000 0.240 66 L C 0.474 177.408 176.870 0.107 0.000 1.163 66 L CA -0.643 54.266 54.840 0.115 0.000 0.962 66 L CB 0.239 42.355 42.059 0.095 0.000 1.258 66 L HN 0.051 nan 8.230 nan 0.000 0.513 67 A N 0.985 123.834 122.820 0.048 0.000 2.406 67 A HA 0.456 4.776 4.320 -0.000 0.000 0.243 67 A C -2.283 175.226 177.584 -0.125 0.000 1.082 67 A CA -0.795 51.229 52.037 -0.021 0.000 0.786 67 A CB -0.315 18.660 19.000 -0.041 0.000 1.029 67 A HN -0.038 nan 8.150 nan 0.000 0.495 68 P HA 0.288 nan 4.420 nan 0.000 0.278 68 P C -2.516 174.414 177.300 -0.617 0.000 1.238 68 P CA -1.169 61.465 63.100 -0.776 0.000 0.794 68 P CB -0.161 31.063 31.700 -0.792 0.000 0.955 69 P HA -0.060 nan 4.420 nan 0.000 0.260 69 P C 1.366 178.448 177.300 -0.364 0.000 1.172 69 P CA 0.623 63.369 63.100 -0.590 0.000 0.760 69 P CB 0.235 31.427 31.700 -0.846 0.000 0.773 70 G N 3.290 111.962 108.800 -0.214 0.000 2.606 70 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.223 70 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.223 70 G C 1.301 176.116 174.900 -0.141 0.000 1.106 70 G CA 0.886 45.898 45.100 -0.147 0.000 0.745 70 G HN 0.680 nan 8.290 nan 0.000 0.597 71 E N 0.099 120.208 120.200 -0.152 0.000 2.130 71 E HA -0.153 4.197 4.350 -0.000 0.000 0.196 71 E C 2.403 178.938 176.600 -0.108 0.000 0.998 71 E CA 0.886 57.220 56.400 -0.110 0.000 0.806 71 E CB -0.258 29.380 29.700 -0.104 0.000 0.738 71 E HN 0.513 nan 8.360 nan 0.000 0.459 72 L N 0.530 121.657 121.223 -0.161 0.000 2.291 72 L HA -0.095 4.245 4.340 -0.000 0.000 0.214 72 L C 0.265 177.087 176.870 -0.079 0.000 1.120 72 L CA 0.413 55.177 54.840 -0.126 0.000 0.799 72 L CB -0.290 41.652 42.059 -0.196 0.000 0.925 72 L HN 0.153 nan 8.230 nan 0.000 0.446 73 N N 0.470 119.118 118.700 -0.087 0.000 2.727 73 N HA -0.191 4.549 4.740 -0.000 0.000 0.251 73 N C -0.432 175.051 175.510 -0.044 0.000 1.040 73 N CA 0.614 53.630 53.050 -0.057 0.000 0.712 73 N CB -1.554 36.913 38.487 -0.032 0.000 0.912 73 N HN 0.225 nan 8.380 nan 0.000 0.545 74 L N 0.979 122.157 121.223 -0.074 0.000 2.384 74 L HA 0.101 4.441 4.340 -0.000 0.000 0.258 74 L C 1.068 177.918 176.870 -0.034 0.000 1.266 74 L CA 0.001 54.812 54.840 -0.047 0.000 1.162 74 L CB -0.512 41.484 42.059 -0.105 0.000 1.375 74 L HN 0.252 nan 8.230 nan 0.000 0.420 75 T N -3.446 111.102 114.554 -0.009 0.000 2.874 75 T HA 0.016 4.366 4.350 -0.000 0.000 0.281 75 T C 1.336 176.045 174.700 0.015 0.000 0.994 75 T CA -0.276 61.821 62.100 -0.004 0.000 1.015 75 T CB 1.764 70.630 68.868 -0.003 0.000 1.028 75 T HN 0.388 nan 8.240 nan 0.000 0.523 76 T N 0.165 114.726 114.554 0.011 0.000 2.822 76 T HA -0.167 4.183 4.350 -0.000 0.000 0.270 76 T C 1.952 176.674 174.700 0.037 0.000 1.064 76 T CA 1.642 63.756 62.100 0.024 0.000 1.131 76 T CB -0.983 67.894 68.868 0.014 0.000 0.858 76 T HN 0.803 nan 8.240 nan 0.000 0.483 77 A N 0.307 123.144 122.820 0.029 0.000 2.123 77 A HA 0.173 4.493 4.320 -0.000 0.000 0.214 77 A C 2.498 180.109 177.584 0.045 0.000 1.152 77 A CA 1.466 53.522 52.037 0.032 0.000 0.728 77 A CB -0.346 18.666 19.000 0.019 0.000 0.814 77 A HN 0.711 nan 8.150 nan 0.000 0.464 78 S N -1.812 113.921 115.700 0.055 0.000 2.514 78 S HA 0.047 4.517 4.470 -0.000 0.000 0.223 78 S C 1.515 176.189 174.600 0.125 0.000 1.046 78 S CA 0.761 59.001 58.200 0.068 0.000 0.914 78 S CB -0.356 62.873 63.200 0.049 0.000 0.807 78 S HN 0.100 nan 8.310 nan 0.000 0.497 79 V N 3.316 123.323 119.914 0.156 0.000 2.453 79 V HA -0.019 4.101 4.120 -0.000 0.000 0.252 79 V C -1.353 174.981 176.094 0.399 0.000 1.068 79 V CA 1.418 63.892 62.300 0.291 0.000 1.070 79 V CB -1.327 30.613 31.823 0.194 0.000 0.664 79 V HN 0.390 nan 8.190 nan 0.000 0.461 80 P HA -0.013 nan 4.420 nan 0.000 0.310 80 P C 1.021 178.382 177.300 0.101 0.000 1.309 80 P CA 0.123 63.352 63.100 0.215 0.000 0.753 80 P CB 0.108 31.895 31.700 0.145 0.000 1.491 81 M N -3.587 116.026 119.600 0.021 0.000 2.909 81 M HA -0.303 4.177 4.480 -0.000 0.000 0.182 81 M C 0.092 176.281 176.300 -0.185 0.000 0.642 81 M CA 0.779 56.051 55.300 -0.045 0.000 0.695 81 M CB -1.576 31.022 32.600 -0.003 0.000 2.505 81 M HN 0.241 nan 8.290 nan 0.000 0.282 82 L N -2.549 118.461 121.223 -0.354 0.000 6.593 82 L HA -0.420 3.920 4.340 -0.000 0.000 0.053 82 L C 0.657 177.142 176.870 -0.641 0.000 1.816 82 L CA 1.548 55.800 54.840 -0.981 0.000 1.701 82 L CB -1.462 40.062 42.059 -0.891 0.000 2.696 82 L HN 0.559 nan 8.230 nan 0.000 1.037 83 R N -0.985 119.214 120.500 -0.502 0.000 3.223 83 R HA -0.177 4.163 4.340 -0.000 0.000 0.262 83 R C -0.086 176.244 176.300 0.051 0.000 1.052 83 R CA 0.772 56.789 56.100 -0.139 0.000 0.700 83 R CB -1.727 28.544 30.300 -0.048 0.000 1.217 83 R HN 0.570 nan 8.270 nan 0.000 0.408 84 W N -0.855 120.408 121.300 -0.062 0.000 3.177 84 W HA 0.121 4.781 4.660 -0.000 0.000 0.309 84 W C 0.837 177.422 176.519 0.109 0.000 1.224 84 W CA -0.518 56.733 57.345 -0.157 0.000 1.718 84 W CB -0.184 28.826 29.460 -0.750 0.000 1.078 84 W HN 0.211 nan 8.180 nan 0.000 0.618 85 Y N 2.436 122.928 120.300 0.321 0.000 2.544 85 Y HA 0.355 4.905 4.550 -0.000 0.000 0.330 85 Y C -0.081 175.991 175.900 0.287 0.000 1.136 85 Y CA -0.518 57.812 58.100 0.384 0.000 1.417 85 Y CB 0.377 38.985 38.460 0.246 0.000 1.229 85 Y HN -0.046 nan 8.280 nan 0.000 0.532 86 A N 6.546 129.192 122.820 -0.289 0.000 2.385 86 A HA 0.321 4.641 4.320 -0.000 0.000 0.290 86 A C 0.775 178.076 177.584 -0.472 0.000 1.094 86 A CA -0.617 51.187 52.037 -0.388 0.000 0.729 86 A CB 0.666 19.618 19.000 -0.080 0.000 1.194 86 A HN 0.945 nan 8.150 nan 0.000 0.442 87 E N 1.479 121.301 120.200 -0.631 0.000 2.082 87 E HA -0.264 4.086 4.350 -0.000 0.000 0.215 87 E C 1.163 177.739 176.600 -0.041 0.000 1.048 87 E CA 1.862 58.108 56.400 -0.257 0.000 0.869 87 E CB -0.040 29.636 29.700 -0.039 0.000 0.773 87 E HN 0.720 nan 8.360 nan 0.000 0.466 88 R N -0.708 119.800 120.500 0.013 0.000 2.357 88 R HA 0.023 4.363 4.340 -0.000 0.000 0.202 88 R C -0.180 175.988 176.300 -0.219 0.000 1.047 88 R CA 0.227 56.285 56.100 -0.071 0.000 1.034 88 R CB -0.009 30.233 30.300 -0.095 0.000 0.875 88 R HN 0.017 nan 8.270 nan 0.000 0.473 89 F N -2.000 117.924 119.950 -0.042 0.000 2.588 89 F HA 0.322 4.849 4.527 -0.000 0.000 0.314 89 F C -0.306 175.511 175.800 0.029 0.000 1.069 89 F CA -1.064 56.950 58.000 0.024 0.000 0.931 89 F CB 1.557 40.646 39.000 0.149 0.000 1.260 89 F HN -0.208 nan 8.300 nan 0.000 0.465 90 C N 4.601 124.016 119.300 0.192 0.000 2.379 90 C HA 0.804 5.264 4.460 -0.000 0.000 0.323 90 C C -0.782 174.194 174.990 -0.022 0.000 1.262 90 C CA -0.939 58.086 59.018 0.012 0.000 1.581 90 C CB -0.767 26.936 27.740 -0.062 0.000 2.221 90 C HN 0.635 nan 8.230 nan 0.000 0.497 91 F N 4.569 124.411 119.950 -0.180 0.000 2.507 91 F HA 0.857 5.384 4.527 -0.000 0.000 0.327 91 F C -0.895 174.743 175.800 -0.271 0.000 1.068 91 F CA -1.349 56.354 58.000 -0.494 0.000 0.965 91 F CB 0.932 39.356 39.000 -0.960 0.000 1.192 91 F HN 0.275 nan 8.300 nan 0.000 0.476 92 V N 4.283 124.177 119.914 -0.034 0.000 2.376 92 V HA 0.292 4.411 4.120 -0.000 0.000 0.287 92 V C -0.799 175.306 176.094 0.018 0.000 1.015 92 V CA -0.587 61.702 62.300 -0.017 0.000 0.834 92 V CB 1.195 32.993 31.823 -0.042 0.000 1.001 92 V HN 0.816 nan 8.190 nan 0.000 0.428 93 L N 7.801 129.073 121.223 0.083 0.000 2.334 93 L HA 0.482 4.822 4.340 -0.000 0.000 0.286 93 L C -0.116 176.764 176.870 0.017 0.000 1.108 93 L CA 0.367 55.219 54.840 0.019 0.000 0.875 93 L CB 0.823 42.929 42.059 0.079 0.000 1.246 93 L HN 0.471 nan 8.230 nan 0.000 0.439 94 V N 3.546 123.464 119.914 0.008 0.000 2.465 94 V HA 0.673 4.793 4.120 -0.000 0.000 0.279 94 V C 0.496 176.619 176.094 0.048 0.000 1.045 94 V CA -0.208 62.103 62.300 0.019 0.000 0.938 94 V CB 1.105 32.937 31.823 0.014 0.000 0.986 94 V HN 0.850 nan 8.190 nan 0.000 0.467 95 T N 0.237 114.812 114.554 0.035 0.000 2.912 95 T HA 0.721 5.071 4.350 -0.000 0.000 0.299 95 T C -0.211 174.514 174.700 0.042 0.000 1.052 95 T CA -0.240 61.892 62.100 0.054 0.000 0.996 95 T CB 1.955 70.787 68.868 -0.059 0.000 1.070 95 T HN 0.863 nan 8.240 nan 0.000 0.465 96 T N -0.520 114.086 114.554 0.087 0.000 2.864 96 T HA 0.718 5.068 4.350 -0.000 0.000 0.276 96 T C 1.883 176.636 174.700 0.088 0.000 1.006 96 T CA -0.287 61.853 62.100 0.068 0.000 0.970 96 T CB 0.491 69.396 68.868 0.061 0.000 1.420 96 T HN 0.901 nan 8.240 nan 0.000 0.601 97 A N -0.293 122.567 122.820 0.067 0.000 2.019 97 A HA 0.023 4.343 4.320 -0.000 0.000 0.219 97 A C 1.905 179.545 177.584 0.094 0.000 1.164 97 A CA 1.335 53.413 52.037 0.069 0.000 0.644 97 A CB -1.022 18.003 19.000 0.043 0.000 0.805 97 A HN 0.895 nan 8.150 nan 0.000 0.449 98 E N -1.424 118.834 120.200 0.097 0.000 2.445 98 E HA 0.136 4.486 4.350 -0.000 0.000 0.189 98 E C -0.489 176.173 176.600 0.103 0.000 1.069 98 E CA -0.685 55.762 56.400 0.079 0.000 0.871 98 E CB -0.120 29.608 29.700 0.048 0.000 0.991 98 E HN 0.579 nan 8.360 nan 0.000 0.481 99 F N 1.364 121.311 119.950 -0.003 0.000 2.572 99 F HA 0.064 4.591 4.527 -0.000 0.000 0.370 99 F C -1.537 174.236 175.800 -0.046 0.000 1.103 99 F CA -1.644 56.343 58.000 -0.022 0.000 1.286 99 F CB 0.959 39.957 39.000 -0.003 0.000 1.105 99 F HN -0.030 nan 8.300 nan 0.000 0.583 100 P HA 0.094 nan 4.420 nan 0.000 0.245 100 P C 1.230 178.260 177.300 -0.449 0.000 1.199 100 P CA 0.577 63.038 63.100 -1.065 0.000 0.807 100 P CB 0.188 31.302 31.700 -0.977 0.000 1.002 101 R N 0.312 120.667 120.500 -0.241 0.000 2.140 101 R HA -0.146 4.194 4.340 -0.000 0.000 0.250 101 R C 0.557 176.803 176.300 -0.089 0.000 1.150 101 R CA 1.348 57.367 56.100 -0.134 0.000 0.966 101 R CB -0.908 29.345 30.300 -0.079 0.000 0.869 101 R HN 0.247 nan 8.270 nan 0.000 0.445 102 D N 0.094 120.466 120.400 -0.046 0.000 2.443 102 D HA 0.130 4.770 4.640 -0.000 0.000 0.221 102 D C -2.020 174.324 176.300 0.074 0.000 1.097 102 D CA -2.657 51.353 54.000 0.017 0.000 0.865 102 D CB 1.511 42.344 40.800 0.055 0.000 1.034 102 D HN -0.106 nan 8.370 nan 0.000 0.511 103 P HA 0.171 nan 4.420 nan 0.000 0.242 103 P C 0.425 177.924 177.300 0.332 0.000 1.197 103 P CA 0.189 63.363 63.100 0.124 0.000 0.765 103 P CB 0.021 31.755 31.700 0.056 0.000 0.936 104 G N 0.530 109.477 108.800 0.244 0.000 2.819 104 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.682 104 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.682 104 G C -0.835 174.139 174.900 0.123 0.000 1.481 104 G CA -0.653 44.566 45.100 0.198 0.000 0.904 104 G HN 0.450 nan 8.290 nan 0.000 0.563 105 Q N -1.133 118.705 119.800 0.064 0.000 2.297 105 Q HA 0.803 5.143 4.340 -0.000 0.000 0.268 105 Q C -0.682 175.284 176.000 -0.056 0.000 1.045 105 Q CA -1.238 54.569 55.803 0.007 0.000 0.861 105 Q CB 2.539 31.281 28.738 0.007 0.000 1.344 105 Q HN 1.043 nan 8.270 nan 0.000 0.452 106 L N 2.177 123.323 121.223 -0.128 0.000 2.316 106 L HA 0.468 4.808 4.340 -0.000 0.000 0.280 106 L C -1.686 175.101 176.870 -0.137 0.000 1.006 106 L CA -0.418 54.271 54.840 -0.252 0.000 0.836 106 L CB 1.109 42.849 42.059 -0.531 0.000 1.221 106 L HN 0.671 nan 8.230 nan 0.000 0.418 107 L N 5.003 126.152 121.223 -0.124 0.000 2.334 107 L HA 0.495 4.835 4.340 -0.000 0.000 0.272 107 L C -1.234 175.569 176.870 -0.111 0.000 1.020 107 L CA -0.775 54.044 54.840 -0.034 0.000 0.812 107 L CB 1.641 43.695 42.059 -0.007 0.000 1.264 107 L HN 0.495 nan 8.230 nan 0.000 0.439 108 Y N 2.546 122.871 120.300 0.041 0.000 2.338 108 Y HA 0.557 5.107 4.550 -0.000 0.000 0.333 108 Y C -0.389 175.618 175.900 0.179 0.000 0.968 108 Y CA -0.326 57.839 58.100 0.108 0.000 1.123 108 Y CB 2.171 40.619 38.460 -0.020 0.000 1.165 108 Y HN 0.349 nan 8.280 nan 0.000 0.452 109 I N 6.659 127.428 120.570 0.331 0.000 2.582 109 I HA 0.488 4.658 4.170 -0.000 0.000 0.292 109 I C -2.601 173.535 176.117 0.033 0.000 1.066 109 I CA -2.912 58.497 61.300 0.182 0.000 1.053 109 I CB 2.731 40.787 38.000 0.094 0.000 1.241 109 I HN 0.334 nan 8.210 nan 0.000 0.421 110 P HA 0.121 nan 4.420 nan 0.000 0.271 110 P C -0.256 176.773 177.300 -0.451 0.000 1.220 110 P CA -0.118 62.431 63.100 -0.920 0.000 0.768 110 P CB 0.829 31.827 31.700 -1.170 0.000 0.848 111 K N 1.461 121.663 120.400 -0.330 0.000 2.089 111 K HA -0.172 4.148 4.320 -0.000 0.000 0.210 111 K C 1.901 178.453 176.600 -0.079 0.000 1.048 111 K CA 2.496 58.697 56.287 -0.144 0.000 0.926 111 K CB -0.861 31.575 32.500 -0.105 0.000 0.714 111 K HN 0.615 nan 8.250 nan 0.000 0.448 112 T N -1.383 113.114 114.554 -0.095 0.000 2.849 112 T HA -0.194 4.156 4.350 -0.000 0.000 0.270 112 T C 1.702 176.515 174.700 0.188 0.000 1.066 112 T CA 1.118 63.237 62.100 0.032 0.000 1.130 112 T CB -0.569 68.323 68.868 0.040 0.000 0.864 112 T HN 0.349 nan 8.240 nan 0.000 0.481 113 Y N 0.723 120.975 120.300 -0.081 0.000 2.571 113 Y HA 0.264 4.814 4.550 -0.000 0.000 0.294 113 Y C 1.942 177.815 175.900 -0.045 0.000 1.141 113 Y CA -0.141 57.926 58.100 -0.054 0.000 1.308 113 Y CB -0.125 38.308 38.460 -0.046 0.000 1.002 113 Y HN 0.232 nan 8.280 nan 0.000 0.551 114 L N -0.573 120.709 121.223 0.098 0.000 2.590 114 L HA 0.146 4.486 4.340 -0.000 0.000 0.227 114 L C 0.177 177.045 176.870 -0.003 0.000 1.099 114 L CA 0.072 54.928 54.840 0.027 0.000 0.872 114 L CB 0.236 42.294 42.059 -0.003 0.000 1.088 114 L HN 0.079 nan 8.230 nan 0.000 0.479 138 E N -0.564 119.779 120.200 0.238 0.000 2.256 138 E HA 0.367 4.717 4.350 -0.000 0.000 0.198 138 E C -0.738 176.020 176.600 0.263 0.000 0.908 138 E CA 1.129 57.728 56.400 0.332 0.000 0.915 138 E CB 1.075 30.903 29.700 0.213 0.000 0.890 138 E HN 0.233 nan 8.360 nan 0.000 0.484 139 V N 2.212 122.216 119.914 0.150 0.000 2.501 139 V HA 0.205 4.325 4.120 -0.000 0.000 0.277 139 V C -0.740 175.381 176.094 0.045 0.000 1.004 139 V CA -0.528 61.819 62.300 0.079 0.000 0.862 139 V CB 1.390 33.296 31.823 0.138 0.000 1.035 139 V HN 0.320 nan 8.190 nan 0.000 0.448 140 T N 1.396 115.944 114.554 -0.010 0.000 2.829 140 T HA 0.650 5.000 4.350 -0.000 0.000 0.280 140 T C -0.492 174.188 174.700 -0.034 0.000 0.999 140 T CA -0.756 61.334 62.100 -0.017 0.000 0.983 140 T CB 1.834 70.683 68.868 -0.033 0.000 0.968 140 T HN 0.480 nan 8.240 nan 0.000 0.446 141 Q N 2.092 121.878 119.800 -0.023 0.000 2.304 141 Q HA 0.351 4.691 4.340 -0.000 0.000 0.260 141 Q C -0.395 175.534 176.000 -0.118 0.000 0.965 141 Q CA -0.295 55.493 55.803 -0.026 0.000 0.898 141 Q CB 0.780 29.519 28.738 0.002 0.000 1.196 141 Q HN 0.599 nan 8.270 nan 0.000 0.402 142 L N 3.678 124.837 121.223 -0.107 0.000 2.270 142 L HA 0.386 4.726 4.340 -0.000 0.000 0.286 142 L C -0.188 176.457 176.870 -0.375 0.000 1.059 142 L CA -0.336 54.397 54.840 -0.179 0.000 0.839 142 L CB 0.090 42.089 42.059 -0.099 0.000 1.221 142 L HN 0.384 nan 8.230 nan 0.000 0.431 143 K N 2.626 122.651 120.400 -0.626 0.000 2.159 143 K HA 0.795 5.115 4.320 -0.000 0.000 0.266 143 K C 0.373 176.495 176.600 -0.796 0.000 0.975 143 K CA -0.343 55.181 56.287 -1.271 0.000 0.865 143 K CB 2.113 33.934 32.500 -1.132 0.000 1.087 143 K HN 0.753 nan 8.250 nan 0.000 0.446 144 G N 0.888 109.173 108.800 -0.858 0.000 2.483 144 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.521 144 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.521 144 G C 0.025 174.893 174.900 -0.052 0.000 1.278 144 G CA -0.876 44.069 45.100 -0.258 0.000 0.965 144 G HN 0.480 nan 8.290 nan 0.000 0.504 145 L N 0.399 121.609 121.223 -0.022 0.000 2.357 145 L HA 0.325 4.665 4.340 -0.000 0.000 0.211 145 L C 1.652 178.484 176.870 -0.063 0.000 1.075 145 L CA 1.261 56.098 54.840 -0.004 0.000 0.830 145 L CB -0.050 42.008 42.059 -0.002 0.000 0.996 145 L HN 0.862 nan 8.230 nan 0.000 0.467 146 S N -1.985 113.638 115.700 -0.128 0.000 2.536 146 S HA 0.393 4.863 4.470 -0.000 0.000 0.298 146 S C -0.576 173.932 174.600 -0.153 0.000 1.083 146 S CA -0.681 57.378 58.200 -0.236 0.000 0.995 146 S CB 1.328 64.243 63.200 -0.476 0.000 1.058 146 S HN 0.154 nan 8.310 nan 0.000 0.488 147 H N 1.412 120.442 119.070 -0.067 0.000 2.498 147 H HA 0.424 4.980 4.556 -0.000 0.000 0.239 147 H C -0.020 175.270 175.328 -0.064 0.000 1.586 147 H CA -0.536 55.479 56.048 -0.056 0.000 1.164 147 H CB -0.541 29.190 29.762 -0.051 0.000 1.597 147 H HN 0.565 nan 8.280 nan 0.000 0.516 148 N N 2.277 120.987 118.700 0.016 0.000 2.420 148 N HA 0.030 4.770 4.740 -0.000 0.000 0.262 148 N C -1.684 173.820 175.510 -0.009 0.000 1.144 148 N CA -1.893 51.151 53.050 -0.011 0.000 0.952 148 N CB 1.361 39.834 38.487 -0.022 0.000 1.081 148 N HN 0.134 nan 8.380 nan 0.000 0.480 149 P HA 0.019 nan 4.420 nan 0.000 0.220 149 P C 0.994 178.269 177.300 -0.043 0.000 1.148 149 P CA 0.846 63.921 63.100 -0.042 0.000 0.803 149 P CB 0.144 31.799 31.700 -0.075 0.000 0.782 150 G N -0.414 108.365 108.800 -0.034 0.000 2.712 150 G HA2 0.008 3.968 3.960 -0.000 0.000 0.212 150 G HA3 0.008 3.968 3.960 -0.000 0.000 0.212 150 G C 1.542 176.448 174.900 0.011 0.000 1.142 150 G CA 0.566 45.651 45.100 -0.025 0.000 0.789 150 G HN 0.266 nan 8.290 nan 0.000 0.535 151 A N 1.220 124.057 122.820 0.028 0.000 1.869 151 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 151 A C 2.618 180.216 177.584 0.024 0.000 1.203 151 A CA 2.518 54.585 52.037 0.050 0.000 0.638 151 A CB -1.114 17.905 19.000 0.032 0.000 0.831 151 A HN 0.455 nan 8.150 nan 0.000 0.450 152 S N -0.701 115.000 115.700 0.001 0.000 2.402 152 S HA -0.113 4.357 4.470 -0.000 0.000 0.233 152 S C 1.997 176.592 174.600 -0.010 0.000 1.030 152 S CA 1.771 59.966 58.200 -0.008 0.000 1.003 152 S CB -0.458 62.732 63.200 -0.017 0.000 0.813 152 S HN 0.925 nan 8.310 nan 0.000 0.477 153 A N 0.455 123.267 122.820 -0.013 0.000 2.016 153 A HA 0.250 4.570 4.320 -0.000 0.000 0.217 153 A C 2.109 179.686 177.584 -0.012 0.000 1.162 153 A CA 0.714 52.739 52.037 -0.020 0.000 0.662 153 A CB -0.400 18.577 19.000 -0.039 0.000 0.812 153 A HN 0.559 nan 8.150 nan 0.000 0.450 154 L N -0.676 120.547 121.223 0.001 0.000 2.068 154 L HA -0.057 4.283 4.340 -0.000 0.000 0.204 154 L C 2.327 179.198 176.870 0.002 0.000 1.076 154 L CA 0.791 55.633 54.840 0.004 0.000 0.753 154 L CB -0.473 41.602 42.059 0.025 0.000 0.910 154 L HN 0.316 nan 8.230 nan 0.000 0.439 155 L N -0.336 120.891 121.223 0.007 0.000 2.265 155 L HA -0.173 4.167 4.340 -0.000 0.000 0.215 155 L C 2.572 179.437 176.870 -0.008 0.000 1.117 155 L CA 1.038 55.878 54.840 0.001 0.000 0.782 155 L CB -0.436 41.623 42.059 0.000 0.000 0.914 155 L HN 0.291 nan 8.230 nan 0.000 0.441 156 R N -0.446 120.048 120.500 -0.009 0.000 2.246 156 R HA 0.032 4.372 4.340 -0.000 0.000 0.199 156 R C 1.425 177.720 176.300 -0.009 0.000 0.984 156 R CA 0.358 56.452 56.100 -0.010 0.000 1.015 156 R CB 0.055 30.349 30.300 -0.010 0.000 0.930 156 R HN 0.360 nan 8.270 nan 0.000 0.475 157 S N 0.622 116.317 115.700 -0.009 0.000 2.606 157 S HA 0.079 4.549 4.470 -0.000 0.000 0.257 157 S C 0.848 175.419 174.600 -0.048 0.000 1.327 157 S CA -0.340 57.860 58.200 -0.000 0.000 0.984 157 S CB 1.060 64.265 63.200 0.008 0.000 0.941 157 S HN 0.165 nan 8.310 nan 0.000 0.576 158 R N 0.106 120.561 120.500 -0.076 0.000 2.432 158 R HA 0.313 4.653 4.340 -0.000 0.000 0.260 158 R C 0.468 176.335 176.300 -0.721 0.000 0.935 158 R CA 0.153 56.105 56.100 -0.248 0.000 1.080 158 R CB -0.041 30.194 30.300 -0.108 0.000 1.155 158 R HN 0.762 nan 8.270 nan 0.000 0.531 159 A N 0.635 123.012 122.820 -0.739 0.000 2.566 159 A HA -0.067 4.253 4.320 -0.000 0.000 0.245 159 A C -0.199 176.993 177.584 -0.653 0.000 1.056 159 A CA 0.514 51.896 52.037 -1.090 0.000 0.757 159 A CB -0.530 18.119 19.000 -0.584 0.000 0.979 159 A HN 0.718 nan 8.150 nan 0.000 0.508 160 W N -0.345 120.633 121.300 -0.537 0.000 1.839 160 W HA -0.309 4.351 4.660 -0.000 0.000 0.248 160 W C 0.918 177.292 176.519 -0.241 0.000 0.999 160 W CA 0.621 57.798 57.345 -0.280 0.000 0.444 160 W CB -1.775 27.575 29.460 -0.184 0.000 2.008 160 W HN 0.453 nan 8.180 nan 0.000 1.324 161 V N -0.442 119.374 119.914 -0.164 0.000 2.426 161 V HA -0.099 4.021 4.120 -0.000 0.000 0.242 161 V C 2.001 178.025 176.094 -0.117 0.000 1.036 161 V CA 2.605 64.838 62.300 -0.112 0.000 1.044 161 V CB -0.530 31.221 31.823 -0.121 0.000 0.688 161 V HN 0.340 nan 8.190 nan 0.000 0.462 162 T N -1.948 112.475 114.554 -0.218 0.000 2.954 162 T HA 0.317 4.667 4.350 -0.000 0.000 0.252 162 T C 0.131 174.829 174.700 -0.002 0.000 0.983 162 T CA -0.092 61.962 62.100 -0.077 0.000 0.941 162 T CB 0.087 68.958 68.868 0.005 0.000 1.141 162 T HN 0.329 nan 8.240 nan 0.000 0.500 163 F N 0.815 120.716 119.950 -0.081 0.000 2.611 163 F HA 0.925 5.452 4.527 -0.000 0.000 0.324 163 F C -0.605 175.070 175.800 -0.208 0.000 1.061 163 F CA -2.304 55.623 58.000 -0.122 0.000 0.954 163 F CB 1.388 40.298 39.000 -0.150 0.000 1.301 163 F HN 0.029 nan 8.300 nan 0.000 0.482 164 A N 1.052 123.916 122.820 0.072 0.000 2.399 164 A HA 0.702 5.022 4.320 -0.000 0.000 0.327 164 A C 0.456 177.981 177.584 -0.098 0.000 1.367 164 A CA -0.181 51.791 52.037 -0.109 0.000 0.842 164 A CB 0.106 19.195 19.000 0.149 0.000 1.142 164 A HN 1.307 nan 8.150 nan 0.000 0.495 165 A N 1.670 124.340 122.820 -0.250 0.000 2.208 165 A HA 0.501 4.821 4.320 -0.000 0.000 0.209 165 A C 1.161 178.698 177.584 -0.078 0.000 1.161 165 A CA 1.066 53.028 52.037 -0.124 0.000 0.782 165 A CB 0.067 18.992 19.000 -0.126 0.000 0.816 165 A HN 1.796 nan 8.150 nan 0.000 0.477 166 A N 0.503 123.301 122.820 -0.036 0.000 3.370 166 A HA 0.597 4.917 4.320 -0.000 0.000 0.295 166 A C -2.911 174.825 177.584 0.252 0.000 1.030 166 A CA -1.115 51.005 52.037 0.138 0.000 0.883 166 A CB 0.116 19.237 19.000 0.202 0.000 1.191 166 A HN 0.163 nan 8.150 nan 0.000 0.507 167 P HA 0.193 nan 4.420 nan 0.000 0.271 167 P C -0.607 176.791 177.300 0.163 0.000 1.233 167 P CA -0.001 63.214 63.100 0.191 0.000 0.789 167 P CB 0.523 32.304 31.700 0.135 0.000 0.951 168 D N 1.380 121.861 120.400 0.135 0.000 2.412 168 D HA -0.009 4.631 4.640 -0.000 0.000 0.257 168 D C 0.605 176.962 176.300 0.094 0.000 1.217 168 D CA 0.375 54.435 54.000 0.100 0.000 0.897 168 D CB 0.073 40.916 40.800 0.072 0.000 1.132 168 D HN 0.266 nan 8.370 nan 0.000 0.493 169 R N 2.121 122.681 120.500 0.099 0.000 2.296 169 R HA 0.154 4.494 4.340 -0.000 0.000 0.323 169 R C 0.015 176.359 176.300 0.073 0.000 1.067 169 R CA -0.303 55.855 56.100 0.098 0.000 0.946 169 R CB 0.678 31.054 30.300 0.127 0.000 0.991 169 R HN 0.336 nan 8.270 nan 0.000 0.448 170 E N 3.323 123.558 120.200 0.058 0.000 2.026 170 E HA 0.123 4.473 4.350 -0.000 0.000 0.253 170 E C 0.262 176.883 176.600 0.035 0.000 1.056 170 E CA 0.020 56.446 56.400 0.042 0.000 0.927 170 E CB -0.038 29.682 29.700 0.033 0.000 1.172 170 E HN 1.017 nan 8.360 nan 0.000 0.445 171 G N 3.699 112.524 108.800 0.041 0.000 2.187 171 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.261 171 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.261 171 G C 0.186 175.100 174.900 0.024 0.000 1.000 171 G CA 0.433 45.553 45.100 0.033 0.000 0.718 171 G HN 0.515 nan 8.290 nan 0.000 0.519 172 L N 1.890 123.135 121.223 0.037 0.000 2.534 172 L HA 0.557 4.897 4.340 -0.000 0.000 0.271 172 L C 0.366 177.246 176.870 0.016 0.000 1.178 172 L CA 0.706 55.550 54.840 0.005 0.000 0.907 172 L CB 0.419 42.513 42.059 0.059 0.000 1.164 172 L HN 0.135 nan 8.230 nan 0.000 0.482 173 T N 6.189 120.677 114.554 -0.110 0.000 2.841 173 T HA 0.488 4.838 4.350 -0.000 0.000 0.283 173 T C -0.640 173.918 174.700 -0.236 0.000 1.000 173 T CA 0.034 62.104 62.100 -0.051 0.000 0.977 173 T CB 0.709 69.560 68.868 -0.028 0.000 0.979 173 T HN 0.281 nan 8.240 nan 0.000 0.446 174 F N 3.671 123.617 119.950 -0.007 0.000 2.363 174 F HA 0.346 4.873 4.527 -0.000 0.000 0.366 174 F C -2.085 173.702 175.800 -0.022 0.000 1.083 174 F CA -2.212 55.776 58.000 -0.020 0.000 1.176 174 F CB 0.787 39.765 39.000 -0.037 0.000 1.432 174 F HN 0.295 nan 8.300 nan 0.000 0.482 175 P HA 0.029 nan 4.420 nan 0.000 0.268 175 P C 0.145 177.482 177.300 0.062 0.000 1.208 175 P CA -0.298 62.833 63.100 0.051 0.000 0.777 175 P CB 0.686 32.395 31.700 0.014 0.000 0.875 176 R N 0.698 121.226 120.500 0.047 0.000 2.734 176 R HA 0.426 4.766 4.340 -0.000 0.000 0.266 176 R C 0.507 176.828 176.300 0.036 0.000 1.044 176 R CA 0.561 56.685 56.100 0.040 0.000 1.128 176 R CB -0.051 30.269 30.300 0.033 0.000 1.010 176 R HN 0.718 nan 8.270 nan 0.000 0.461 177 G N 1.628 110.450 108.800 0.038 0.000 2.519 177 G HA2 0.262 4.222 3.960 -0.000 0.000 0.307 177 G HA3 0.262 4.222 3.960 -0.000 0.000 0.307 177 G C -1.333 173.588 174.900 0.034 0.000 1.266 177 G CA -0.762 44.360 45.100 0.036 0.000 0.970 177 G HN 0.576 nan 8.290 nan 0.000 0.481 178 D N 0.104 120.520 120.400 0.027 0.000 2.390 178 D HA 0.229 4.869 4.640 -0.000 0.000 0.236 178 D C 0.875 177.190 176.300 0.024 0.000 1.189 178 D CA 0.529 54.539 54.000 0.017 0.000 0.887 178 D CB 0.715 41.522 40.800 0.011 0.000 1.198 178 D HN 0.459 nan 8.370 nan 0.000 0.444 179 D N -1.017 119.385 120.400 0.003 0.000 2.394 179 D HA -0.142 4.498 4.640 -0.000 0.000 0.169 179 D C 0.547 176.870 176.300 0.037 0.000 1.214 179 D CA 1.627 55.632 54.000 0.009 0.000 1.131 179 D CB -1.021 39.799 40.800 0.034 0.000 1.157 179 D HN 0.559 nan 8.370 nan 0.000 0.455 180 G N 0.804 109.633 108.800 0.048 0.000 2.313 180 G HA2 0.424 4.384 3.960 -0.000 0.000 0.250 180 G HA3 0.424 4.384 3.960 -0.000 0.000 0.250 180 G C 0.501 175.437 174.900 0.062 0.000 1.281 180 G CA 0.586 45.726 45.100 0.066 0.000 0.917 180 G HN 0.542 nan 8.290 nan 0.000 0.501 181 A N 3.087 125.958 122.820 0.084 0.000 2.584 181 A HA 0.492 4.812 4.320 -0.000 0.000 0.239 181 A C 1.139 178.768 177.584 0.074 0.000 1.043 181 A CA 0.892 52.981 52.037 0.085 0.000 0.756 181 A CB -0.118 18.939 19.000 0.094 0.000 0.963 181 A HN 1.482 nan 8.150 nan 0.000 0.511 182 T N -0.456 114.154 114.554 0.093 0.000 2.916 182 T HA 0.506 4.856 4.350 -0.000 0.000 0.292 182 T C 0.641 175.390 174.700 0.081 0.000 1.064 182 T CA -0.362 61.791 62.100 0.089 0.000 1.011 182 T CB 1.292 70.224 68.868 0.107 0.000 1.152 182 T HN 0.615 nan 8.240 nan 0.000 0.510 183 E N 0.092 120.325 120.200 0.054 0.000 2.171 183 E HA -0.208 4.142 4.350 -0.000 0.000 0.197 183 E C 2.218 178.826 176.600 0.013 0.000 0.997 183 E CA 1.244 57.660 56.400 0.028 0.000 0.810 183 E CB -0.064 29.648 29.700 0.019 0.000 0.738 183 E HN 0.511 nan 8.360 nan 0.000 0.467 184 R N 0.022 120.543 120.500 0.034 0.000 2.066 184 R HA -0.049 4.291 4.340 -0.000 0.000 0.232 184 R C 0.352 176.522 176.300 -0.216 0.000 1.131 184 R CA 1.022 57.082 56.100 -0.066 0.000 0.955 184 R CB -0.196 30.108 30.300 0.007 0.000 0.851 184 R HN 0.261 nan 8.270 nan 0.000 0.432 185 H N -0.373 118.703 119.070 0.010 0.000 2.736 185 H HA 0.221 4.777 4.556 -0.000 0.000 0.271 185 H C -2.117 173.218 175.328 0.012 0.000 1.184 185 H CA -2.337 53.718 56.048 0.012 0.000 1.378 185 H CB 1.293 31.066 29.762 0.017 0.000 1.428 185 H HN -0.023 nan 8.280 nan 0.000 0.500 186 P HA -0.084 nan 4.420 nan 0.000 0.234 186 P C 0.376 177.705 177.300 0.048 0.000 1.167 186 P CA 0.984 64.107 63.100 0.039 0.000 0.763 186 P CB 0.543 32.239 31.700 -0.006 0.000 0.835 187 D N -1.451 118.998 120.400 0.081 0.000 2.380 187 D HA 0.281 4.921 4.640 -0.000 0.000 0.212 187 D C 1.157 177.517 176.300 0.099 0.000 1.021 187 D CA 0.836 54.886 54.000 0.084 0.000 0.884 187 D CB 0.429 41.272 40.800 0.071 0.000 1.001 187 D HN 0.087 nan 8.370 nan 0.000 0.506 188 G N -0.093 108.770 108.800 0.104 0.000 2.329 188 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.308 188 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.308 188 G C 0.226 175.120 174.900 -0.011 0.000 1.587 188 G CA -0.796 44.340 45.100 0.060 0.000 0.978 188 G HN -0.138 nan 8.290 nan 0.000 0.685 189 R N 0.219 120.647 120.500 -0.119 0.000 2.070 189 R HA -0.002 4.338 4.340 -0.000 0.000 0.233 189 R C 2.083 178.258 176.300 -0.210 0.000 1.137 189 R CA 1.226 57.117 56.100 -0.348 0.000 0.945 189 R CB 0.074 30.221 30.300 -0.256 0.000 0.845 189 R HN 0.428 nan 8.270 nan 0.000 0.430 190 R N 0.977 121.419 120.500 -0.096 0.000 2.388 190 R HA 0.079 4.419 4.340 -0.000 0.000 0.247 190 R C -0.056 176.224 176.300 -0.033 0.000 0.931 190 R CA -0.346 55.722 56.100 -0.053 0.000 1.082 190 R CB -0.087 30.194 30.300 -0.032 0.000 1.135 190 R HN 0.126 nan 8.270 nan 0.000 0.525 191 N N 0.572 119.258 118.700 -0.023 0.000 2.395 191 N HA -0.002 4.738 4.740 -0.000 0.000 0.246 191 N C -1.034 174.480 175.510 0.006 0.000 1.246 191 N CA 0.416 53.460 53.050 -0.011 0.000 0.879 191 N CB 0.757 39.258 38.487 0.023 0.000 1.098 191 N HN 0.130 nan 8.380 nan 0.000 0.444 192 A N 3.304 126.124 122.820 0.001 0.000 2.815 192 A HA 0.412 4.732 4.320 -0.000 0.000 0.318 192 A C -2.547 175.061 177.584 0.041 0.000 1.186 192 A CA -1.299 50.753 52.037 0.024 0.000 0.754 192 A CB 0.489 19.499 19.000 0.016 0.000 1.151 192 A HN 0.590 nan 8.150 nan 0.000 0.452 193 P HA 0.255 nan 4.420 nan 0.000 0.267 193 P C -2.645 174.727 177.300 0.119 0.000 1.200 193 P CA -0.666 62.485 63.100 0.084 0.000 0.772 193 P CB -0.125 31.627 31.700 0.086 0.000 0.855 194 P HA 0.226 nan 4.420 nan 0.000 0.271 194 P C -2.417 175.029 177.300 0.243 0.000 1.226 194 P CA -1.269 61.968 63.100 0.228 0.000 0.765 194 P CB -0.753 31.125 31.700 0.296 0.000 0.835 195 P HA 0.230 nan 4.420 nan 0.000 0.274 195 P C 0.430 177.620 177.300 -0.183 0.000 1.237 195 P CA -0.122 63.011 63.100 0.056 0.000 0.793 195 P CB 0.597 32.355 31.700 0.097 0.000 0.977 196 G N 1.219 109.821 108.800 -0.330 0.000 2.507 196 G HA2 0.432 4.392 3.960 -0.000 0.000 0.271 196 G HA3 0.432 4.392 3.960 -0.000 0.000 0.271 196 G C -2.436 171.990 174.900 -0.789 0.000 1.189 196 G CA -1.346 43.328 45.100 -0.711 0.000 0.859 196 G HN 0.379 nan 8.290 nan 0.000 0.542 197 P HA 0.139 nan 4.420 nan 0.000 0.264 197 P C -2.403 174.467 177.300 -0.717 0.000 1.193 197 P CA -0.755 61.322 63.100 -1.705 0.000 0.763 197 P CB 0.341 30.960 31.700 -1.801 0.000 0.810 198 P HA 0.047 nan 4.420 nan 0.000 0.270 198 P C -0.154 177.033 177.300 -0.188 0.000 1.227 198 P CA -0.092 62.884 63.100 -0.206 0.000 0.788 198 P CB 0.213 31.863 31.700 -0.083 0.000 0.926 199 A N 1.689 124.436 122.820 -0.122 0.000 2.580 199 A HA 0.363 4.683 4.320 -0.000 0.000 0.244 199 A C 1.361 178.894 177.584 -0.086 0.000 1.045 199 A CA 0.653 52.631 52.037 -0.098 0.000 0.761 199 A CB -1.641 17.320 19.000 -0.065 0.000 0.962 199 A HN 0.932 nan 8.150 nan 0.000 0.512 200 G N 2.835 111.580 108.800 -0.091 0.000 2.295 200 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.287 200 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.287 200 G C 0.283 175.142 174.900 -0.067 0.000 1.055 200 G CA 0.744 45.801 45.100 -0.071 0.000 0.922 200 G HN 2.176 nan 8.290 nan 0.000 0.503 201 T N -0.978 113.514 114.554 -0.103 0.000 2.795 201 T HA 0.694 5.044 4.350 -0.000 0.000 0.282 201 T C -1.737 172.910 174.700 -0.088 0.000 0.980 201 T CA -1.629 60.427 62.100 -0.073 0.000 1.012 201 T CB 2.593 71.403 68.868 -0.096 0.000 0.936 201 T HN 0.128 nan 8.240 nan 0.000 0.457 202 P HA 0.389 nan 4.420 nan 0.000 0.272 202 P C -0.531 176.657 177.300 -0.187 0.000 1.240 202 P CA -0.762 62.233 63.100 -0.174 0.000 0.791 202 P CB 0.478 32.012 31.700 -0.278 0.000 0.978 203 R N 0.727 121.089 120.500 -0.230 0.000 2.629 203 R HA 0.250 4.590 4.340 -0.000 0.000 0.275 203 R C -0.342 175.904 176.300 -0.089 0.000 1.719 203 R CA -0.562 55.491 56.100 -0.079 0.000 1.472 203 R CB 0.125 30.416 30.300 -0.016 0.000 1.237 203 R HN 0.658 nan 8.270 nan 0.000 0.589 204 H N 0.526 119.603 119.070 0.013 0.000 2.801 204 H HA 0.157 4.713 4.556 -0.000 0.000 0.377 204 H C -2.067 173.250 175.328 -0.017 0.000 1.304 204 H CA -1.324 54.717 56.048 -0.011 0.000 1.451 204 H CB -0.293 29.427 29.762 -0.069 0.000 1.474 204 H HN 0.231 nan 8.280 nan 0.000 0.620 205 P HA 0.142 nan 4.420 nan 0.000 0.285 205 P C -0.262 177.065 177.300 0.045 0.000 1.269 205 P CA -0.865 62.275 63.100 0.067 0.000 0.844 205 P CB 0.711 32.445 31.700 0.056 0.000 1.094 206 T N -2.498 112.072 114.554 0.027 0.000 4.313 206 T HA 0.259 4.609 4.350 -0.000 0.000 0.272 206 T C 0.644 175.355 174.700 0.020 0.000 1.298 206 T CA 0.401 62.508 62.100 0.012 0.000 1.124 206 T CB -1.500 67.375 68.868 0.013 0.000 1.352 206 T HN 0.620 nan 8.240 nan 0.000 1.013 207 T N -2.182 112.389 114.554 0.028 0.000 3.689 207 T HA 0.152 4.502 4.350 -0.000 0.000 0.293 207 T C 0.741 175.470 174.700 0.050 0.000 0.955 207 T CA -0.410 61.711 62.100 0.035 0.000 1.130 207 T CB -0.314 68.574 68.868 0.033 0.000 1.138 207 T HN 0.356 nan 8.240 nan 0.000 0.477 208 N N 1.965 120.705 118.700 0.066 0.000 3.210 208 N HA 0.277 5.017 4.740 -0.000 0.000 0.314 208 N C -0.923 174.663 175.510 0.125 0.000 1.291 208 N CA 0.093 53.203 53.050 0.100 0.000 1.202 208 N CB -0.058 38.508 38.487 0.133 0.000 1.475 208 N HN 0.495 nan 8.380 nan 0.000 0.554 209 L N 1.514 122.794 121.223 0.095 0.000 2.277 209 L HA 0.176 4.516 4.340 -0.000 0.000 0.284 209 L C 0.575 177.526 176.870 0.135 0.000 1.028 209 L CA -0.379 54.523 54.840 0.103 0.000 0.835 209 L CB 0.934 43.001 42.059 0.013 0.000 1.215 209 L HN 0.177 nan 8.230 nan 0.000 0.425 210 S N 3.135 118.956 115.700 0.201 0.000 2.713 210 S HA 0.362 4.832 4.470 -0.000 0.000 0.283 210 S C 1.247 175.864 174.600 0.027 0.000 1.161 210 S CA -0.855 57.376 58.200 0.052 0.000 0.999 210 S CB 1.404 64.566 63.200 -0.064 0.000 1.039 210 S HN 0.649 nan 8.310 nan 0.000 0.548 211 I N -1.119 119.440 120.570 -0.019 0.000 2.614 211 I HA 0.074 4.244 4.170 -0.000 0.000 0.258 211 I C 2.024 178.130 176.117 -0.019 0.000 1.189 211 I CA 1.305 62.587 61.300 -0.029 0.000 1.462 211 I CB -0.718 37.243 38.000 -0.065 0.000 1.092 211 I HN 0.670 nan 8.210 nan 0.000 0.442 212 A N 1.141 123.931 122.820 -0.050 0.000 1.873 212 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 212 A C 2.077 179.660 177.584 -0.003 0.000 1.186 212 A CA 1.780 53.786 52.037 -0.052 0.000 0.616 212 A CB -1.338 17.589 19.000 -0.121 0.000 0.823 212 A HN 0.625 nan 8.150 nan 0.000 0.442 213 H N -1.281 117.763 119.070 -0.044 0.000 2.319 213 H HA -0.170 4.386 4.556 -0.000 0.000 0.297 213 H C 1.956 177.247 175.328 -0.061 0.000 1.097 213 H CA 1.494 57.492 56.048 -0.083 0.000 1.285 213 H CB -0.080 29.593 29.762 -0.148 0.000 1.368 213 H HN 0.353 nan 8.280 nan 0.000 0.495 214 L N -0.111 121.170 121.223 0.097 0.000 2.127 214 L HA -0.219 4.121 4.340 -0.000 0.000 0.211 214 L C 2.308 179.208 176.870 0.051 0.000 1.089 214 L CA 1.679 56.541 54.840 0.036 0.000 0.757 214 L CB -0.641 41.429 42.059 0.017 0.000 0.899 214 L HN 0.453 nan 8.230 nan 0.000 0.434 215 H N -0.762 118.286 119.070 -0.037 0.000 2.343 215 H HA 0.017 4.573 4.556 -0.000 0.000 0.303 215 H C 0.708 176.013 175.328 -0.038 0.000 1.068 215 H CA 1.025 57.045 56.048 -0.046 0.000 1.359 215 H CB 0.439 30.172 29.762 -0.049 0.000 1.402 215 H HN 0.308 nan 8.280 nan 0.000 0.515 216 N N 1.225 119.943 118.700 0.030 0.000 2.482 216 N HA 0.014 4.754 4.740 -0.000 0.000 0.220 216 N C 0.971 176.457 175.510 -0.039 0.000 1.255 216 N CA 0.327 53.368 53.050 -0.015 0.000 0.850 216 N CB 0.286 38.797 38.487 0.040 0.000 1.127 216 N HN 0.324 nan 8.380 nan 0.000 0.475 217 A N 0.221 122.996 122.820 -0.076 0.000 2.119 217 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 217 A C 2.046 179.533 177.584 -0.162 0.000 1.153 217 A CA 0.934 52.908 52.037 -0.106 0.000 0.692 217 A CB -0.236 18.705 19.000 -0.098 0.000 0.799 217 A HN 0.362 nan 8.150 nan 0.000 0.458 218 S N -1.257 114.356 115.700 -0.146 0.000 2.650 218 S HA 0.199 4.669 4.470 -0.000 0.000 0.219 218 S C 0.517 175.011 174.600 -0.176 0.000 0.960 218 S CA 0.783 58.888 58.200 -0.158 0.000 0.925 218 S CB 0.026 63.159 63.200 -0.113 0.000 0.775 218 S HN 0.428 nan 8.310 nan 0.000 0.525 219 V N 0.140 119.955 119.914 -0.165 0.000 3.486 219 V HA 0.258 4.378 4.120 -0.000 0.000 0.335 219 V C -0.263 175.809 176.094 -0.037 0.000 1.506 219 V CA -0.319 61.937 62.300 -0.072 0.000 1.206 219 V CB 0.122 31.975 31.823 0.050 0.000 1.049 219 V HN 0.381 nan 8.190 nan 0.000 0.502 220 T N 1.257 115.698 114.554 -0.188 0.000 2.770 220 T HA 0.502 4.852 4.350 -0.000 0.000 0.283 220 T C -0.967 173.615 174.700 -0.197 0.000 0.988 220 T CA -0.103 61.963 62.100 -0.057 0.000 0.957 220 T CB 0.985 69.793 68.868 -0.100 0.000 0.930 220 T HN 0.327 nan 8.240 nan 0.000 0.443 221 W N 3.256 124.608 121.300 0.087 0.000 2.520 221 W HA 0.649 5.309 4.660 -0.000 0.000 0.323 221 W C -0.730 175.836 176.519 0.079 0.000 1.062 221 W CA -0.989 56.385 57.345 0.048 0.000 1.215 221 W CB 0.750 30.217 29.460 0.012 0.000 1.340 221 W HN 0.404 nan 8.180 nan 0.000 0.516 222 L N 3.285 124.647 121.223 0.231 0.000 2.317 222 L HA 0.744 5.084 4.340 -0.000 0.000 0.281 222 L C 0.481 177.430 176.870 0.133 0.000 1.024 222 L CA -1.150 53.780 54.840 0.150 0.000 0.810 222 L CB 1.049 43.145 42.059 0.062 0.000 1.240 222 L HN 0.496 nan 8.230 nan 0.000 0.427 223 A N 1.626 124.494 122.820 0.081 0.000 2.440 223 A HA 0.574 4.894 4.320 -0.000 0.000 0.251 223 A C 1.105 178.693 177.584 0.007 0.000 1.089 223 A CA 0.286 52.346 52.037 0.038 0.000 0.779 223 A CB 0.696 19.702 19.000 0.010 0.000 1.022 223 A HN 0.969 nan 8.150 nan 0.000 0.492 224 A N 2.726 125.529 122.820 -0.029 0.000 1.970 224 A HA 0.036 4.356 4.320 -0.000 0.000 0.216 224 A C 1.422 178.953 177.584 -0.088 0.000 1.170 224 A CA 0.472 52.455 52.037 -0.090 0.000 0.645 224 A CB -0.156 18.729 19.000 -0.191 0.000 0.816 224 A HN 0.782 nan 8.150 nan 0.000 0.447 225 R N -0.383 120.081 120.500 -0.060 0.000 2.399 225 R HA 0.301 4.641 4.340 -0.000 0.000 0.324 225 R C 1.095 177.387 176.300 -0.013 0.000 1.030 225 R CA 0.816 56.894 56.100 -0.036 0.000 0.984 225 R CB -0.173 30.115 30.300 -0.021 0.000 0.961 225 R HN 0.689 nan 8.270 nan 0.000 0.433 226 G N 2.351 111.149 108.800 -0.003 0.000 2.194 226 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.236 226 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.236 226 G C 0.268 175.177 174.900 0.015 0.000 0.987 226 G CA 0.188 45.295 45.100 0.012 0.000 0.635 226 G HN 0.537 nan 8.290 nan 0.000 0.520 227 L N -0.294 120.932 121.223 0.005 0.000 2.347 227 L HA 0.689 5.029 4.340 -0.000 0.000 0.196 227 L C 1.169 178.050 176.870 0.019 0.000 1.072 227 L CA 0.415 55.264 54.840 0.015 0.000 0.817 227 L CB -0.402 41.664 42.059 0.012 0.000 1.029 227 L HN 0.166 nan 8.230 nan 0.000 0.478 228 L N 1.410 122.623 121.223 -0.018 0.000 2.483 228 L HA 0.085 4.425 4.340 -0.000 0.000 0.276 228 L C 0.678 177.572 176.870 0.040 0.000 1.213 228 L CA 0.685 55.515 54.840 -0.018 0.000 0.843 228 L CB -0.113 41.842 42.059 -0.172 0.000 1.107 228 L HN 0.285 nan 8.230 nan 0.000 0.487 229 R N 1.025 121.579 120.500 0.090 0.000 2.585 229 R HA 0.069 4.409 4.340 -0.000 0.000 0.275 229 R C -0.408 175.975 176.300 0.138 0.000 1.018 229 R CA 0.171 56.340 56.100 0.114 0.000 1.072 229 R CB 0.238 30.620 30.300 0.137 0.000 0.953 229 R HN 0.807 nan 8.270 nan 0.000 0.419 230 T N 3.595 118.222 114.554 0.121 0.000 2.794 230 T HA 0.333 4.683 4.350 -0.000 0.000 0.296 230 T C -2.192 172.605 174.700 0.162 0.000 0.949 230 T CA -1.734 60.446 62.100 0.132 0.000 1.101 230 T CB 1.177 70.102 68.868 0.095 0.000 0.905 230 T HN 0.413 nan 8.240 nan 0.000 0.516 231 P HA 0.460 nan 4.420 nan 0.000 0.266 231 P C 0.144 177.634 177.300 0.317 0.000 1.195 231 P CA -0.013 63.223 63.100 0.226 0.000 0.768 231 P CB 0.476 32.264 31.700 0.147 0.000 0.838 232 G N 1.105 110.136 108.800 0.386 0.000 2.696 232 G HA2 0.471 4.431 3.960 -0.000 0.000 0.295 232 G HA3 0.471 4.431 3.960 -0.000 0.000 0.295 232 G C -1.183 173.867 174.900 0.251 0.000 1.398 232 G CA -0.843 44.499 45.100 0.403 0.000 0.920 232 G HN 0.414 nan 8.290 nan 0.000 0.492 233 R N -0.501 119.970 120.500 -0.048 0.000 2.756 233 R HA 0.367 4.707 4.340 -0.000 0.000 0.264 233 R C -1.238 175.016 176.300 -0.076 0.000 1.026 233 R CA 0.152 55.999 56.100 -0.421 0.000 1.121 233 R CB 0.395 30.274 30.300 -0.703 0.000 0.999 233 R HN 0.628 nan 8.270 nan 0.000 0.449 234 Y N 1.457 121.604 120.300 -0.254 0.000 2.480 234 Y HA 0.282 4.832 4.550 -0.000 0.000 0.329 234 Y C -1.637 174.177 175.900 -0.143 0.000 1.127 234 Y CA -0.828 57.194 58.100 -0.129 0.000 1.037 234 Y CB 1.404 39.836 38.460 -0.047 0.000 1.320 234 Y HN 0.253 nan 8.280 nan 0.000 0.446 235 V N 6.623 126.132 119.914 -0.674 0.000 2.370 235 V HA 0.233 4.353 4.120 -0.000 0.000 0.283 235 V C -1.097 174.727 176.094 -0.450 0.000 1.023 235 V CA -0.649 61.394 62.300 -0.428 0.000 0.857 235 V CB 1.144 32.782 31.823 -0.307 0.000 0.985 235 V HN 0.673 nan 8.190 nan 0.000 0.443 236 Y N 6.315 126.501 120.300 -0.190 0.000 2.341 236 Y HA 0.602 5.152 4.550 -0.000 0.000 0.340 236 Y C -0.396 175.508 175.900 0.006 0.000 0.997 236 Y CA -0.692 57.423 58.100 0.026 0.000 1.149 236 Y CB 0.985 39.539 38.460 0.156 0.000 1.171 236 Y HN 0.516 nan 8.280 nan 0.000 0.494 237 L N 6.422 127.346 121.223 -0.499 0.000 2.265 237 L HA 0.321 4.661 4.340 -0.000 0.000 0.289 237 L C 0.453 176.935 176.870 -0.647 0.000 1.033 237 L CA -0.737 53.860 54.840 -0.405 0.000 0.814 237 L CB 1.232 43.146 42.059 -0.242 0.000 1.203 237 L HN 0.626 nan 8.230 nan 0.000 0.423 238 S N 4.112 119.562 115.700 -0.417 0.000 2.552 238 S HA 0.134 4.604 4.470 -0.000 0.000 0.289 238 S C -1.392 173.089 174.600 -0.199 0.000 1.304 238 S CA -0.866 57.179 58.200 -0.259 0.000 1.063 238 S CB 0.818 63.998 63.200 -0.034 0.000 0.848 238 S HN 0.426 nan 8.310 nan 0.000 0.499 239 P HA -0.034 nan 4.420 nan 0.000 0.228 239 P C 1.242 178.460 177.300 -0.137 0.000 1.151 239 P CA 0.814 63.828 63.100 -0.143 0.000 0.770 239 P CB -0.071 31.546 31.700 -0.138 0.000 0.786 240 S N -0.600 115.029 115.700 -0.117 0.000 2.470 240 S HA 0.184 4.654 4.470 -0.000 0.000 0.225 240 S C 1.554 176.163 174.600 0.016 0.000 1.006 240 S CA 0.469 58.611 58.200 -0.097 0.000 0.934 240 S CB -1.047 62.096 63.200 -0.095 0.000 0.778 240 S HN 0.184 nan 8.310 nan 0.000 0.517 241 A N 0.298 123.102 122.820 -0.026 0.000 2.790 241 A HA -0.178 4.142 4.320 -0.000 0.000 0.277 241 A C 1.207 178.760 177.584 -0.052 0.000 1.435 241 A CA 1.118 53.139 52.037 -0.026 0.000 0.877 241 A CB -2.465 16.539 19.000 0.008 0.000 1.007 241 A HN 0.713 nan 8.150 nan 0.000 0.613 242 S N -0.845 114.819 115.700 -0.059 0.000 2.664 242 S HA 0.423 4.893 4.470 -0.000 0.000 0.245 242 S C 0.240 174.820 174.600 -0.033 0.000 1.019 242 S CA 0.611 58.799 58.200 -0.019 0.000 0.996 242 S CB 0.553 63.693 63.200 -0.100 0.000 0.878 242 S HN 0.714 nan 8.310 nan 0.000 0.493 243 T N 0.716 115.216 114.554 -0.090 0.000 2.923 243 T HA 0.356 4.706 4.350 -0.000 0.000 0.311 243 T C -1.380 173.281 174.700 -0.065 0.000 1.183 243 T CA -0.688 61.347 62.100 -0.108 0.000 1.020 243 T CB 0.819 69.682 68.868 -0.008 0.000 1.165 243 T HN 0.340 nan 8.240 nan 0.000 0.482 244 W N 3.386 124.696 121.300 0.016 0.000 2.223 244 W HA 0.257 4.917 4.660 -0.000 0.000 0.334 244 W C -2.005 174.513 176.519 -0.002 0.000 1.334 244 W CA -1.509 55.837 57.345 0.001 0.000 1.246 244 W CB -0.085 29.369 29.460 -0.009 0.000 1.184 244 W HN 0.416 nan 8.180 nan 0.000 0.563 245 P HA -0.060 nan 4.420 nan 0.000 0.264 245 P C -0.607 176.756 177.300 0.105 0.000 1.183 245 P CA 0.187 63.358 63.100 0.118 0.000 0.763 245 P CB 0.309 32.043 31.700 0.056 0.000 0.807 246 V N 3.546 123.514 119.914 0.090 0.000 2.398 246 V HA 0.536 4.656 4.120 -0.000 0.000 0.286 246 V C 0.940 176.978 176.094 -0.094 0.000 1.026 246 V CA -0.445 61.865 62.300 0.017 0.000 0.868 246 V CB 1.420 33.258 31.823 0.024 0.000 0.982 246 V HN 0.690 nan 8.190 nan 0.000 0.443 247 G N 3.553 112.277 108.800 -0.128 0.000 2.325 247 G HA2 0.604 4.564 3.960 -0.000 0.000 0.298 247 G HA3 0.604 4.564 3.960 -0.000 0.000 0.298 247 G C -0.479 174.272 174.900 -0.248 0.000 1.134 247 G CA -0.146 44.838 45.100 -0.192 0.000 0.876 247 G HN 1.038 nan 8.290 nan 0.000 0.452 248 V N -0.256 119.484 119.914 -0.290 0.000 3.182 248 V HA 0.799 4.919 4.120 -0.000 0.000 0.308 248 V C -1.549 174.354 176.094 -0.319 0.000 1.240 248 V CA -2.093 60.045 62.300 -0.270 0.000 1.063 248 V CB 1.710 33.333 31.823 -0.333 0.000 1.076 248 V HN 0.649 nan 8.190 nan 0.000 0.446 249 W N 0.839 122.154 121.300 0.024 0.000 2.288 249 W HA 0.652 5.312 4.660 -0.000 0.000 0.325 249 W C 0.677 177.232 176.519 0.060 0.000 1.019 249 W CA -0.193 57.182 57.345 0.049 0.000 1.403 249 W CB 1.383 30.860 29.460 0.028 0.000 1.226 249 W HN 0.816 nan 8.180 nan 0.000 0.391 250 T N 1.379 116.068 114.554 0.226 0.000 2.907 250 T HA 0.202 4.552 4.350 -0.000 0.000 0.298 250 T C 1.111 175.918 174.700 0.178 0.000 1.017 250 T CA 0.098 62.276 62.100 0.130 0.000 1.118 250 T CB 0.766 69.563 68.868 -0.119 0.000 0.948 250 T HN 0.497 nan 8.240 nan 0.000 0.531 251 T N 1.035 115.713 114.554 0.207 0.000 3.215 251 T HA 0.586 4.936 4.350 -0.000 0.000 0.271 251 T C 0.998 175.853 174.700 0.259 0.000 1.012 251 T CA 0.077 62.318 62.100 0.235 0.000 0.899 251 T CB -0.426 68.580 68.868 0.231 0.000 1.089 251 T HN 1.301 nan 8.240 nan 0.000 0.552 252 G N -0.261 108.651 108.800 0.186 0.000 2.548 252 G HA2 0.391 4.351 3.960 -0.000 0.000 0.208 252 G HA3 0.391 4.351 3.960 -0.000 0.000 0.208 252 G C -0.204 174.794 174.900 0.163 0.000 1.308 252 G CA -0.359 44.843 45.100 0.170 0.000 0.924 252 G HN 1.385 nan 8.290 nan 0.000 0.540 253 G N -1.689 107.207 108.800 0.160 0.000 2.608 253 G HA2 0.744 4.704 3.960 -0.000 0.000 0.291 253 G HA3 0.744 4.704 3.960 -0.000 0.000 0.291 253 G C -1.700 173.272 174.900 0.120 0.000 1.425 253 G CA 0.135 45.201 45.100 -0.056 0.000 0.787 253 G HN 1.734 nan 8.290 nan 0.000 0.484 254 L N 0.101 121.334 121.223 0.017 0.000 2.409 254 L HA 0.872 5.212 4.340 -0.000 0.000 0.272 254 L C -0.322 176.627 176.870 0.132 0.000 0.980 254 L CA -0.762 54.186 54.840 0.180 0.000 0.826 254 L CB 1.736 43.993 42.059 0.331 0.000 1.268 254 L HN 1.057 nan 8.230 nan 0.000 0.407 255 A N 4.383 127.319 122.820 0.193 0.000 2.449 255 A HA 0.883 5.203 4.320 -0.000 0.000 0.302 255 A C -1.396 176.376 177.584 0.314 0.000 1.048 255 A CA -0.436 51.729 52.037 0.213 0.000 0.708 255 A CB 1.399 20.512 19.000 0.189 0.000 1.274 255 A HN 0.806 nan 8.150 nan 0.000 0.410 256 F N -0.362 119.563 119.950 -0.043 0.000 2.693 256 F HA 0.900 5.427 4.527 -0.000 0.000 0.309 256 F C -0.070 175.384 175.800 -0.577 0.000 1.129 256 F CA -0.050 57.728 58.000 -0.370 0.000 0.948 256 F CB 1.162 40.024 39.000 -0.229 0.000 1.315 256 F HN 1.365 nan 8.300 nan 0.000 0.447 257 G N -0.447 107.619 108.800 -1.223 0.000 2.428 257 G HA2 0.572 4.532 3.960 -0.000 0.000 0.304 257 G HA3 0.572 4.532 3.960 -0.000 0.000 0.304 257 G C -1.543 173.049 174.900 -0.514 0.000 1.303 257 G CA -0.245 44.400 45.100 -0.759 0.000 0.825 257 G HN 1.709 nan 8.290 nan 0.000 0.484 258 c N -2.280 116.247 118.600 -0.122 0.000 3.274 258 c HA 0.780 5.350 4.570 -0.000 0.000 0.371 258 c C 0.825 174.969 174.090 0.090 0.000 2.432 258 c CA 0.268 56.626 56.329 0.048 0.000 1.291 258 c CB 1.137 43.663 42.510 0.026 0.000 2.851 258 c HN 0.798 nan 8.230 nan 0.000 0.456 259 D N 0.801 121.245 120.400 0.073 0.000 2.358 259 D HA 0.282 4.922 4.640 -0.000 0.000 0.241 259 D C 0.822 177.128 176.300 0.009 0.000 1.094 259 D CA 1.050 55.082 54.000 0.053 0.000 0.907 259 D CB -0.305 40.524 40.800 0.047 0.000 0.893 259 D HN 1.056 nan 8.370 nan 0.000 0.528 260 A N -0.953 121.852 122.820 -0.025 0.000 2.554 260 A HA 0.670 4.990 4.320 -0.000 0.000 0.266 260 A C 0.107 177.613 177.584 -0.130 0.000 0.938 260 A CA 0.068 52.065 52.037 -0.068 0.000 1.045 260 A CB 0.308 19.261 19.000 -0.079 0.000 1.198 260 A HN 0.535 nan 8.150 nan 0.000 0.528 261 A N -0.469 122.279 122.820 -0.120 0.000 2.590 261 A HA 0.632 4.952 4.320 -0.000 0.000 0.296 261 A C -2.085 175.433 177.584 -0.110 0.000 1.050 261 A CA -0.309 51.634 52.037 -0.157 0.000 0.697 261 A CB 0.710 19.463 19.000 -0.412 0.000 1.277 261 A HN 1.351 nan 8.150 nan 0.000 0.411 262 L N 2.138 123.314 121.223 -0.078 0.000 2.482 262 L HA 0.768 5.108 4.340 -0.000 0.000 0.269 262 L C -0.989 175.786 176.870 -0.160 0.000 0.967 262 L CA -0.488 54.283 54.840 -0.114 0.000 0.851 262 L CB 1.905 43.966 42.059 0.004 0.000 1.242 262 L HN 1.539 nan 8.230 nan 0.000 0.404 263 V N 4.812 124.501 119.914 -0.374 0.000 2.555 263 V HA 0.767 4.887 4.120 -0.000 0.000 0.302 263 V C -1.003 174.975 176.094 -0.193 0.000 1.038 263 V CA -0.426 61.679 62.300 -0.326 0.000 0.887 263 V CB 1.784 33.325 31.823 -0.469 0.000 0.991 263 V HN 0.964 nan 8.190 nan 0.000 0.434 264 R N 4.539 124.983 120.500 -0.094 0.000 2.510 264 R HA 0.784 5.124 4.340 -0.000 0.000 0.294 264 R C -0.908 175.355 176.300 -0.062 0.000 1.056 264 R CA -0.036 56.046 56.100 -0.031 0.000 0.918 264 R CB 1.757 32.065 30.300 0.013 0.000 1.187 264 R HN 1.124 nan 8.270 nan 0.000 0.437 265 A N 3.594 126.344 122.820 -0.117 0.000 2.317 265 A HA 0.651 4.971 4.320 -0.000 0.000 0.327 265 A C -0.896 176.424 177.584 -0.440 0.000 1.178 265 A CA -0.702 51.160 52.037 -0.291 0.000 0.817 265 A CB 1.243 20.042 19.000 -0.334 0.000 1.189 265 A HN 0.661 nan 8.150 nan 0.000 0.489 266 R N 1.885 122.128 120.500 -0.428 0.000 2.439 266 R HA 0.574 4.914 4.340 -0.000 0.000 0.310 266 R C -2.084 174.035 176.300 -0.300 0.000 0.955 266 R CA -0.534 55.371 56.100 -0.325 0.000 0.853 266 R CB 0.181 30.476 30.300 -0.009 0.000 1.171 266 R HN 0.587 nan 8.270 nan 0.000 0.449 267 Y N 1.748 122.102 120.300 0.091 0.000 2.334 267 Y HA 0.769 5.319 4.550 -0.000 0.000 0.328 267 Y C 1.054 177.109 175.900 0.258 0.000 1.130 267 Y CA -0.478 57.736 58.100 0.191 0.000 1.163 267 Y CB 2.217 40.825 38.460 0.247 0.000 1.207 267 Y HN 0.784 nan 8.280 nan 0.000 0.471 268 G N 1.214 110.354 108.800 0.566 0.000 2.672 268 G HA2 0.508 4.468 3.960 -0.000 0.000 0.292 268 G HA3 0.508 4.468 3.960 -0.000 0.000 0.292 268 G C -1.622 173.521 174.900 0.405 0.000 1.375 268 G CA -1.430 43.930 45.100 0.434 0.000 0.890 268 G HN 0.449 nan 8.290 nan 0.000 0.476 269 K N 0.333 120.907 120.400 0.289 0.000 2.412 269 K HA 0.415 4.735 4.320 -0.000 0.000 0.284 269 K C 1.184 177.973 176.600 0.316 0.000 1.046 269 K CA 0.984 57.393 56.287 0.203 0.000 0.999 269 K CB 1.007 33.560 32.500 0.088 0.000 0.941 269 K HN 1.292 nan 8.250 nan 0.000 0.474 270 G N 2.537 111.565 108.800 0.380 0.000 2.184 270 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.264 270 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.264 270 G C -0.381 174.829 174.900 0.518 0.000 0.975 270 G CA 0.362 45.757 45.100 0.491 0.000 0.642 270 G HN 0.596 nan 8.290 nan 0.000 0.536 271 F N -0.177 119.928 119.950 0.258 0.000 2.619 271 F HA 0.807 5.334 4.527 -0.000 0.000 0.308 271 F C -0.839 174.908 175.800 -0.089 0.000 1.097 271 F CA -1.568 56.459 58.000 0.046 0.000 0.953 271 F CB 1.606 40.634 39.000 0.047 0.000 1.287 271 F HN 0.225 nan 8.300 nan 0.000 0.446 272 M N 4.435 123.220 119.600 -1.358 0.000 2.327 272 M HA 0.728 5.208 4.480 -0.000 0.000 0.298 272 M C -1.382 173.907 176.300 -1.685 0.000 1.065 272 M CA -0.402 54.104 55.300 -1.323 0.000 0.916 272 M CB 2.130 34.058 32.600 -1.121 0.000 1.630 272 M HN 0.938 nan 8.290 nan 0.000 0.442 273 G N 4.627 112.653 108.800 -1.290 0.000 2.437 273 G HA2 0.614 4.574 3.960 -0.000 0.000 0.315 273 G HA3 0.614 4.574 3.960 -0.000 0.000 0.315 273 G C -2.202 172.438 174.900 -0.434 0.000 1.210 273 G CA -0.465 44.046 45.100 -0.981 0.000 0.943 273 G HN 0.707 nan 8.290 nan 0.000 0.471 274 L N 3.583 124.637 121.223 -0.282 0.000 2.406 274 L HA 0.712 5.052 4.340 -0.000 0.000 0.272 274 L C -0.985 175.809 176.870 -0.126 0.000 0.980 274 L CA -0.681 54.044 54.840 -0.193 0.000 0.831 274 L CB 2.257 44.175 42.059 -0.235 0.000 1.253 274 L HN 0.287 nan 8.230 nan 0.000 0.406 275 V N 6.247 126.107 119.914 -0.090 0.000 2.409 275 V HA 0.499 4.619 4.120 -0.000 0.000 0.291 275 V C 0.074 176.076 176.094 -0.153 0.000 1.020 275 V CA -0.469 61.764 62.300 -0.111 0.000 0.848 275 V CB 1.414 33.202 31.823 -0.057 0.000 0.990 275 V HN 0.606 nan 8.190 nan 0.000 0.430 276 I N 4.749 125.184 120.570 -0.226 0.000 2.339 276 I HA 0.538 4.708 4.170 -0.000 0.000 0.290 276 I C 0.257 176.316 176.117 -0.097 0.000 0.994 276 I CA 0.036 61.216 61.300 -0.200 0.000 1.191 276 I CB 1.692 39.469 38.000 -0.371 0.000 1.343 276 I HN 0.761 nan 8.210 nan 0.000 0.458 277 S N 6.830 122.537 115.700 0.011 0.000 2.542 277 S HA 0.831 5.301 4.470 -0.000 0.000 0.293 277 S C -0.709 173.946 174.600 0.092 0.000 1.089 277 S CA -0.959 57.270 58.200 0.047 0.000 0.961 277 S CB 2.373 65.566 63.200 -0.013 0.000 1.062 277 S HN 0.513 nan 8.310 nan 0.000 0.483 278 M N 1.623 121.275 119.600 0.087 0.000 2.619 278 M HA 0.497 4.977 4.480 -0.000 0.000 0.297 278 M C 1.151 177.442 176.300 -0.015 0.000 1.229 278 M CA -0.932 54.372 55.300 0.006 0.000 0.860 278 M CB 2.456 35.082 32.600 0.044 0.000 1.741 278 M HN 0.901 nan 8.290 nan 0.000 0.462 279 R N 0.755 121.223 120.500 -0.053 0.000 2.080 279 R HA -0.133 4.207 4.340 -0.000 0.000 0.236 279 R C 0.094 176.380 176.300 -0.024 0.000 1.137 279 R CA 2.157 58.235 56.100 -0.037 0.000 0.943 279 R CB 0.166 30.439 30.300 -0.046 0.000 0.846 279 R HN 0.654 nan 8.270 nan 0.000 0.431 280 D N -0.265 120.118 120.400 -0.029 0.000 2.525 280 D HA 0.220 4.860 4.640 -0.000 0.000 0.229 280 D C -0.943 175.350 176.300 -0.012 0.000 1.202 280 D CA 0.129 54.115 54.000 -0.023 0.000 0.828 280 D CB 1.142 41.922 40.800 -0.033 0.000 1.008 280 D HN 0.016 nan 8.370 nan 0.000 0.493 281 S N 0.312 116.020 115.700 0.014 0.000 2.556 281 S HA 0.585 5.055 4.470 -0.000 0.000 0.271 281 S C -2.609 172.045 174.600 0.090 0.000 1.135 281 S CA -1.173 57.053 58.200 0.043 0.000 0.858 281 S CB 2.309 65.544 63.200 0.057 0.000 1.114 281 S HN -0.121 nan 8.310 nan 0.000 0.468 282 P HA 0.427 nan 4.420 nan 0.000 0.274 282 P C -2.535 174.888 177.300 0.205 0.000 1.237 282 P CA -1.078 62.091 63.100 0.114 0.000 0.793 282 P CB -0.368 31.396 31.700 0.107 0.000 0.977 283 P HA 0.438 nan 4.420 nan 0.000 0.279 283 P C -1.223 176.028 177.300 -0.081 0.000 1.282 283 P CA -0.351 62.752 63.100 0.005 0.000 0.788 283 P CB 0.516 32.164 31.700 -0.087 0.000 1.139 284 A N -0.219 122.404 122.820 -0.328 0.000 2.422 284 A HA 0.604 4.924 4.320 -0.000 0.000 0.302 284 A C -1.146 176.220 177.584 -0.364 0.000 1.041 284 A CA -0.400 51.312 52.037 -0.541 0.000 0.708 284 A CB 1.166 19.343 19.000 -1.371 0.000 1.257 284 A HN 0.525 nan 8.150 nan 0.000 0.414 285 E N 1.765 121.813 120.200 -0.252 0.000 2.256 285 E HA 0.574 4.924 4.350 -0.000 0.000 0.268 285 E C -1.647 174.859 176.600 -0.158 0.000 0.877 285 E CA -0.610 55.686 56.400 -0.173 0.000 0.757 285 E CB 1.323 30.968 29.700 -0.092 0.000 1.183 285 E HN 0.487 nan 8.360 nan 0.000 0.418 286 I N 5.132 125.600 120.570 -0.170 0.000 2.465 286 I HA 0.418 4.588 4.170 -0.000 0.000 0.291 286 I C -0.372 175.636 176.117 -0.181 0.000 1.014 286 I CA -0.827 60.364 61.300 -0.181 0.000 1.093 286 I CB 1.478 39.339 38.000 -0.232 0.000 1.267 286 I HN 0.573 nan 8.210 nan 0.000 0.431 287 I N 6.484 126.982 120.570 -0.120 0.000 2.410 287 I HA 0.373 4.543 4.170 -0.000 0.000 0.286 287 I C -0.461 175.571 176.117 -0.142 0.000 1.009 287 I CA -0.813 60.394 61.300 -0.156 0.000 1.111 287 I CB 1.904 39.934 38.000 0.050 0.000 1.262 287 I HN 0.090 nan 8.210 nan 0.000 0.443 288 V N 7.141 126.813 119.914 -0.402 0.000 2.427 288 V HA 0.603 4.723 4.120 -0.000 0.000 0.286 288 V C 0.114 176.115 176.094 -0.155 0.000 1.034 288 V CA -0.560 61.541 62.300 -0.331 0.000 0.893 288 V CB 1.555 33.002 31.823 -0.627 0.000 0.982 288 V HN 0.566 nan 8.190 nan 0.000 0.452 289 V N 2.748 122.733 119.914 0.119 0.000 3.159 289 V HA 0.740 4.860 4.120 -0.000 0.000 0.308 289 V C -2.977 173.334 176.094 0.362 0.000 1.190 289 V CA -3.013 59.463 62.300 0.294 0.000 1.037 289 V CB 2.098 34.121 31.823 0.334 0.000 1.060 289 V HN 0.593 nan 8.190 nan 0.000 0.437 290 P HA 0.135 nan 4.420 nan 0.000 0.266 290 P C 0.821 178.253 177.300 0.221 0.000 1.186 290 P CA 0.950 64.219 63.100 0.283 0.000 0.767 290 P CB 0.619 32.445 31.700 0.210 0.000 0.820 291 A N 3.397 126.307 122.820 0.150 0.000 2.076 291 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 291 A C 1.436 179.094 177.584 0.123 0.000 1.160 291 A CA 1.918 54.027 52.037 0.119 0.000 0.653 291 A CB -0.979 18.058 19.000 0.061 0.000 0.801 291 A HN 0.655 nan 8.150 nan 0.000 0.455 292 D N -1.077 119.393 120.400 0.118 0.000 2.339 292 D HA 0.041 4.681 4.640 -0.000 0.000 0.217 292 D C 0.155 176.531 176.300 0.127 0.000 1.050 292 D CA 0.136 54.200 54.000 0.106 0.000 0.856 292 D CB 0.047 40.894 40.800 0.078 0.000 0.922 292 D HN 0.081 nan 8.370 nan 0.000 0.518 293 K N 0.460 120.961 120.400 0.168 0.000 2.087 293 K HA 0.522 4.842 4.320 -0.000 0.000 0.255 293 K C -0.066 176.658 176.600 0.208 0.000 0.988 293 K CA -0.285 56.101 56.287 0.164 0.000 0.915 293 K CB 1.399 34.001 32.500 0.171 0.000 1.043 293 K HN -0.048 nan 8.250 nan 0.000 0.457 294 T N 1.202 115.814 114.554 0.097 0.000 3.109 294 T HA 0.411 4.761 4.350 -0.000 0.000 0.311 294 T C -0.362 174.222 174.700 -0.194 0.000 1.011 294 T CA -0.733 61.376 62.100 0.015 0.000 1.026 294 T CB 0.864 69.789 68.868 0.094 0.000 1.047 294 T HN 0.237 nan 8.240 nan 0.000 0.448 295 L N 2.560 123.408 121.223 -0.625 0.000 2.287 295 L HA 0.778 5.118 4.340 -0.000 0.000 0.287 295 L C 0.505 177.196 176.870 -0.298 0.000 1.022 295 L CA -1.073 53.491 54.840 -0.461 0.000 0.814 295 L CB 1.349 43.015 42.059 -0.655 0.000 1.217 295 L HN 0.780 nan 8.230 nan 0.000 0.420 296 A N 3.558 126.330 122.820 -0.079 0.000 2.279 296 A HA 0.683 5.003 4.320 -0.000 0.000 0.303 296 A C -0.101 177.445 177.584 -0.064 0.000 1.108 296 A CA -0.658 51.358 52.037 -0.035 0.000 0.830 296 A CB 0.683 19.706 19.000 0.038 0.000 1.106 296 A HN 0.852 nan 8.150 nan 0.000 0.493 297 R N 0.527 121.012 120.500 -0.024 0.000 2.298 297 R HA 0.521 4.861 4.340 -0.000 0.000 0.310 297 R C -1.255 175.008 176.300 -0.063 0.000 1.068 297 R CA -0.208 55.900 56.100 0.013 0.000 0.957 297 R CB 0.419 30.794 30.300 0.125 0.000 1.003 297 R HN 0.193 nan 8.270 nan 0.000 0.454 298 V N 3.843 123.684 119.914 -0.122 0.000 2.435 298 V HA 0.612 4.732 4.120 -0.000 0.000 0.290 298 V C 1.152 177.184 176.094 -0.103 0.000 1.030 298 V CA 0.475 62.571 62.300 -0.341 0.000 0.881 298 V CB 1.251 32.533 31.823 -0.902 0.000 0.983 298 V HN 1.055 nan 8.190 nan 0.000 0.445 299 G N 4.050 112.700 108.800 -0.250 0.000 2.179 299 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.220 299 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.220 299 G C 0.276 174.692 174.900 -0.808 0.000 0.990 299 G CA 0.043 44.963 45.100 -0.300 0.000 0.646 299 G HN 0.655 nan 8.290 nan 0.000 0.517 300 N N 1.365 119.511 118.700 -0.923 0.000 2.411 300 N HA 0.383 5.123 4.740 -0.000 0.000 0.259 300 N C -0.999 174.192 175.510 -0.533 0.000 1.103 300 N CA -1.459 50.937 53.050 -1.091 0.000 0.954 300 N CB 1.623 39.489 38.487 -1.035 0.000 1.085 300 N HN 0.026 nan 8.380 nan 0.000 0.485 301 P HA -0.073 nan 4.420 nan 0.000 0.222 301 P C 1.131 178.324 177.300 -0.179 0.000 1.147 301 P CA 1.165 64.120 63.100 -0.241 0.000 0.790 301 P CB 0.096 31.682 31.700 -0.189 0.000 0.780 302 T N -4.271 110.166 114.554 -0.194 0.000 3.113 302 T HA -0.056 4.294 4.350 -0.000 0.000 0.263 302 T C 0.493 175.133 174.700 -0.101 0.000 1.143 302 T CA 0.590 62.615 62.100 -0.125 0.000 1.090 302 T CB -0.714 68.088 68.868 -0.110 0.000 0.922 302 T HN 0.005 nan 8.240 nan 0.000 0.521 303 D N 1.378 121.703 120.400 -0.124 0.000 3.139 303 D HA 0.254 4.894 4.640 -0.000 0.000 0.268 303 D C 0.752 177.013 176.300 -0.066 0.000 1.322 303 D CA -0.190 53.761 54.000 -0.083 0.000 0.940 303 D CB 0.617 41.364 40.800 -0.087 0.000 1.050 303 D HN 0.516 nan 8.370 nan 0.000 0.503 304 E N 0.324 120.491 120.200 -0.056 0.000 2.107 304 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 304 E C 1.717 178.307 176.600 -0.017 0.000 0.982 304 E CA 0.554 56.931 56.400 -0.039 0.000 0.809 304 E CB 0.244 29.922 29.700 -0.037 0.000 0.756 304 E HN 0.203 nan 8.360 nan 0.000 0.459 305 N N 0.086 118.778 118.700 -0.013 0.000 2.028 305 N HA -0.105 4.635 4.740 -0.000 0.000 0.194 305 N C -0.346 175.168 175.510 0.007 0.000 1.050 305 N CA 1.478 54.527 53.050 -0.001 0.000 0.848 305 N CB 0.131 38.618 38.487 -0.000 0.000 1.038 305 N HN 0.081 nan 8.380 nan 0.000 0.423 306 A N -0.533 122.292 122.820 0.007 0.000 2.422 306 A HA 0.605 4.925 4.320 -0.000 0.000 0.302 306 A C -2.719 174.873 177.584 0.014 0.000 1.041 306 A CA -1.299 50.749 52.037 0.018 0.000 0.708 306 A CB 1.258 20.273 19.000 0.024 0.000 1.257 306 A HN 0.213 nan 8.150 nan 0.000 0.414 307 P HA 0.415 nan 4.420 nan 0.000 0.275 307 P C -0.260 177.050 177.300 0.017 0.000 1.228 307 P CA -0.106 63.002 63.100 0.012 0.000 0.786 307 P CB 0.954 32.679 31.700 0.043 0.000 0.927 308 A N 3.430 126.252 122.820 0.005 0.000 2.539 308 A HA 0.252 4.572 4.320 -0.000 0.000 0.306 308 A C 0.399 178.011 177.584 0.047 0.000 1.392 308 A CA -0.510 51.544 52.037 0.029 0.000 1.060 308 A CB -0.745 18.271 19.000 0.026 0.000 1.134 308 A HN 0.523 nan 8.150 nan 0.000 0.542 309 V N 5.092 125.044 119.914 0.062 0.000 2.814 309 V HA 0.051 4.171 4.120 -0.000 0.000 0.307 309 V C 0.544 176.711 176.094 0.121 0.000 1.089 309 V CA 0.190 62.536 62.300 0.078 0.000 1.212 309 V CB -0.132 31.766 31.823 0.126 0.000 0.912 309 V HN 0.659 nan 8.190 nan 0.000 0.497 310 L N 7.931 129.226 121.223 0.119 0.000 2.467 310 L HA 0.292 4.632 4.340 -0.000 0.000 0.270 310 L C -1.843 175.187 176.870 0.266 0.000 1.205 310 L CA -1.393 53.558 54.840 0.185 0.000 0.828 310 L CB -0.067 42.089 42.059 0.162 0.000 1.101 310 L HN 0.560 nan 8.230 nan 0.000 0.479 311 P HA 0.365 nan 4.420 nan 0.000 0.273 311 P C -0.268 176.951 177.300 -0.134 0.000 1.250 311 P CA -0.171 62.992 63.100 0.103 0.000 0.793 311 P CB 0.768 32.582 31.700 0.190 0.000 1.011 312 G N -0.811 107.776 108.800 -0.355 0.000 2.339 312 G HA2 0.296 4.256 3.960 -0.000 0.000 0.302 312 G HA3 0.296 4.256 3.960 -0.000 0.000 0.302 312 G C -3.400 171.260 174.900 -0.399 0.000 1.425 312 G CA -0.860 43.782 45.100 -0.762 0.000 0.899 312 G HN 0.234 nan 8.290 nan 0.000 0.619 313 P HA 0.311 nan 4.420 nan 0.000 0.269 313 P C -2.315 174.908 177.300 -0.128 0.000 1.217 313 P CA -0.658 62.391 63.100 -0.085 0.000 0.783 313 P CB -0.082 31.565 31.700 -0.088 0.000 0.898 314 P HA 0.170 nan 4.420 nan 0.000 0.272 314 P C -0.720 176.547 177.300 -0.055 0.000 1.223 314 P CA -0.230 62.846 63.100 -0.041 0.000 0.784 314 P CB 0.310 32.012 31.700 0.005 0.000 0.923 315 A N 2.298 125.091 122.820 -0.045 0.000 2.492 315 A HA 0.495 4.815 4.320 -0.000 0.000 0.254 315 A C 1.063 178.652 177.584 0.008 0.000 1.091 315 A CA 0.380 52.402 52.037 -0.026 0.000 0.768 315 A CB -0.631 18.372 19.000 0.005 0.000 1.028 315 A HN 0.620 nan 8.150 nan 0.000 0.498 316 G N 2.019 110.833 108.800 0.023 0.000 2.489 316 G HA2 0.413 4.373 3.960 -0.000 0.000 0.271 316 G HA3 0.413 4.373 3.960 -0.000 0.000 0.271 316 G C -1.464 173.450 174.900 0.023 0.000 1.427 316 G CA -0.444 44.677 45.100 0.035 0.000 1.057 316 G HN 0.459 nan 8.290 nan 0.000 0.532 317 P HA 0.027 nan 4.420 nan 0.000 0.215 317 P C 1.697 178.957 177.300 -0.066 0.000 1.157 317 P CA 1.338 64.429 63.100 -0.015 0.000 0.859 317 P CB 0.153 31.848 31.700 -0.007 0.000 0.786 318 R N -3.381 117.028 120.500 -0.150 0.000 2.287 318 R HA 0.221 4.561 4.340 -0.000 0.000 0.197 318 R C 0.236 176.332 176.300 -0.340 0.000 0.900 318 R CA 0.151 56.053 56.100 -0.331 0.000 1.052 318 R CB 0.071 30.027 30.300 -0.572 0.000 1.117 318 R HN 0.196 nan 8.270 nan 0.000 0.568 319 Y N 1.247 121.596 120.300 0.081 0.000 2.446 319 Y HA 0.485 5.035 4.550 -0.000 0.000 0.345 319 Y C -0.321 175.593 175.900 0.024 0.000 0.984 319 Y CA -1.403 56.743 58.100 0.076 0.000 1.058 319 Y CB 2.268 40.783 38.460 0.091 0.000 1.220 319 Y HN -0.174 nan 8.280 nan 0.000 0.455 320 R N 1.872 122.488 120.500 0.193 0.000 2.494 320 R HA 0.724 5.064 4.340 -0.000 0.000 0.305 320 R C -2.049 174.175 176.300 -0.127 0.000 0.959 320 R CA -0.600 55.498 56.100 -0.003 0.000 0.864 320 R CB 1.374 31.680 30.300 0.010 0.000 1.159 320 R HN 0.570 nan 8.270 nan 0.000 0.446 321 V N 5.711 125.427 119.914 -0.329 0.000 2.435 321 V HA 0.484 4.604 4.120 -0.000 0.000 0.290 321 V C -0.753 174.967 176.094 -0.622 0.000 1.030 321 V CA -0.416 61.679 62.300 -0.342 0.000 0.881 321 V CB 1.287 32.960 31.823 -0.249 0.000 0.983 321 V HN 0.607 nan 8.190 nan 0.000 0.445 322 F N 3.817 123.671 119.950 -0.160 0.000 2.507 322 F HA 0.782 5.309 4.527 -0.000 0.000 0.327 322 F C 0.100 175.771 175.800 -0.215 0.000 1.068 322 F CA -0.786 57.111 58.000 -0.172 0.000 0.965 322 F CB 2.132 41.085 39.000 -0.078 0.000 1.192 322 F HN 0.378 nan 8.300 nan 0.000 0.476 323 V N 2.354 122.224 119.914 -0.073 0.000 2.876 323 V HA 0.824 4.944 4.120 -0.000 0.000 0.312 323 V C -1.672 174.407 176.094 -0.024 0.000 1.085 323 V CA -0.832 61.397 62.300 -0.119 0.000 0.945 323 V CB 1.914 33.582 31.823 -0.259 0.000 1.017 323 V HN 0.637 nan 8.190 nan 0.000 0.428 324 L N 4.237 125.444 121.223 -0.025 0.000 2.354 324 L HA 0.944 5.284 4.340 -0.000 0.000 0.269 324 L C 0.943 177.811 176.870 -0.003 0.000 1.005 324 L CA 0.383 55.223 54.840 0.000 0.000 0.819 324 L CB 1.872 43.920 42.059 -0.017 0.000 1.311 324 L HN 1.323 nan 8.230 nan 0.000 0.423 325 G N 1.457 110.279 108.800 0.036 0.000 2.289 325 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.280 325 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.280 325 G C 0.142 175.119 174.900 0.128 0.000 1.089 325 G CA 0.001 45.134 45.100 0.055 0.000 0.939 325 G HN 0.940 nan 8.290 nan 0.000 0.499 326 A N 0.010 122.930 122.820 0.166 0.000 2.351 326 A HA 0.833 5.153 4.320 -0.000 0.000 0.257 326 A C -0.592 177.086 177.584 0.156 0.000 1.087 326 A CA -0.623 51.542 52.037 0.214 0.000 0.798 326 A CB 0.337 19.502 19.000 0.275 0.000 1.033 326 A HN 0.360 nan 8.150 nan 0.000 0.488 333 G N 1.124 109.893 108.800 -0.051 0.000 2.552 333 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 333 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 333 G C 1.369 176.232 174.900 -0.061 0.000 1.240 333 G CA 1.704 46.773 45.100 -0.051 0.000 0.796 333 G HN 0.574 nan 8.290 nan 0.000 0.568 334 S N 1.205 116.859 115.700 -0.076 0.000 2.428 334 S HA 0.228 4.698 4.470 -0.000 0.000 0.230 334 S C 2.591 177.121 174.600 -0.117 0.000 1.014 334 S CA 1.324 59.474 58.200 -0.084 0.000 0.957 334 S CB -0.387 62.761 63.200 -0.087 0.000 0.784 334 S HN 0.649 nan 8.310 nan 0.000 0.499 335 A N 2.343 125.057 122.820 -0.176 0.000 1.892 335 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 335 A C 2.221 179.780 177.584 -0.042 0.000 1.188 335 A CA 1.872 53.739 52.037 -0.283 0.000 0.631 335 A CB -1.005 17.826 19.000 -0.280 0.000 0.822 335 A HN 0.525 nan 8.150 nan 0.000 0.447 336 L N 0.234 121.456 121.223 -0.001 0.000 2.017 336 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 336 L C 2.048 178.930 176.870 0.020 0.000 1.073 336 L CA 2.871 57.731 54.840 0.033 0.000 0.745 336 L CB -0.800 41.236 42.059 -0.040 0.000 0.894 336 L HN 0.499 nan 8.230 nan 0.000 0.432 337 D N -0.321 120.069 120.400 -0.017 0.000 2.127 337 D HA -0.268 4.372 4.640 -0.000 0.000 0.190 337 D C 2.101 178.422 176.300 0.035 0.000 1.000 337 D CA 1.959 55.951 54.000 -0.012 0.000 0.839 337 D CB -0.265 40.521 40.800 -0.023 0.000 0.955 337 D HN 0.457 nan 8.370 nan 0.000 0.446 338 A N -0.057 122.803 122.820 0.067 0.000 1.892 338 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 338 A C 2.320 180.019 177.584 0.191 0.000 1.188 338 A CA 1.791 53.910 52.037 0.138 0.000 0.631 338 A CB -1.089 18.020 19.000 0.183 0.000 0.822 338 A HN 0.414 nan 8.150 nan 0.000 0.447 339 L N -0.617 120.796 121.223 0.317 0.000 2.191 339 L HA -0.085 4.255 4.340 -0.000 0.000 0.212 339 L C 2.419 179.399 176.870 0.183 0.000 1.103 339 L CA 1.692 56.702 54.840 0.283 0.000 0.769 339 L CB -0.405 41.900 42.059 0.410 0.000 0.908 339 L HN 0.342 nan 8.230 nan 0.000 0.438 340 R N -1.340 119.247 120.500 0.146 0.000 2.075 340 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 340 R C 2.294 178.579 176.300 -0.025 0.000 1.126 340 R CA 0.845 57.025 56.100 0.135 0.000 0.963 340 R CB -0.197 30.115 30.300 0.021 0.000 0.858 340 R HN 0.207 nan 8.270 nan 0.000 0.435 341 R N 0.284 120.717 120.500 -0.112 0.000 2.091 341 R HA -0.096 4.244 4.340 -0.000 0.000 0.238 341 R C 2.208 177.985 176.300 -0.872 0.000 1.136 341 R CA 1.117 57.022 56.100 -0.325 0.000 0.959 341 R CB -0.784 29.408 30.300 -0.180 0.000 0.856 341 R HN 0.148 nan 8.270 nan 0.000 0.437 342 V N 0.978 120.512 119.914 -0.633 0.000 2.307 342 V HA -0.162 3.958 4.120 -0.000 0.000 0.245 342 V C 2.425 178.279 176.094 -0.401 0.000 1.045 342 V CA 1.777 63.689 62.300 -0.647 0.000 1.024 342 V CB -0.870 30.815 31.823 -0.231 0.000 0.651 342 V HN 0.309 nan 8.190 nan 0.000 0.449 343 A N 0.334 123.012 122.820 -0.236 0.000 2.178 343 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 343 A C 2.225 179.722 177.584 -0.145 0.000 1.157 343 A CA 1.625 53.549 52.037 -0.188 0.000 0.689 343 A CB -0.800 18.088 19.000 -0.186 0.000 0.787 343 A HN 0.562 nan 8.150 nan 0.000 0.465 344 G N -2.126 106.572 108.800 -0.169 0.000 2.539 344 G HA2 0.030 3.990 3.960 -0.000 0.000 0.215 344 G HA3 0.030 3.990 3.960 -0.000 0.000 0.215 344 G C 1.289 176.239 174.900 0.084 0.000 1.141 344 G CA 0.563 45.632 45.100 -0.053 0.000 0.806 344 G HN 0.452 nan 8.290 nan 0.000 0.533 345 Y N 1.700 122.023 120.300 0.037 0.000 2.181 345 Y HA 0.000 4.550 4.550 -0.000 0.000 0.288 345 Y C 0.265 176.237 175.900 0.121 0.000 1.146 345 Y CA 0.460 58.606 58.100 0.078 0.000 1.164 345 Y CB -1.518 36.919 38.460 -0.039 0.000 0.982 345 Y HN 0.240 nan 8.280 nan 0.000 0.515 346 P HA -0.102 nan 4.420 nan 0.000 0.221 346 P C 0.948 178.442 177.300 0.323 0.000 1.150 346 P CA 1.607 64.800 63.100 0.156 0.000 0.800 346 P CB 0.047 31.674 31.700 -0.121 0.000 0.787 347 E N -0.665 119.704 120.200 0.282 0.000 2.489 347 E HA -0.040 4.310 4.350 -0.000 0.000 0.193 347 E C 1.350 178.102 176.600 0.254 0.000 1.057 347 E CA 0.282 56.866 56.400 0.306 0.000 0.866 347 E CB 0.002 29.834 29.700 0.221 0.000 0.916 347 E HN 0.433 nan 8.360 nan 0.000 0.500 348 E N 0.298 120.668 120.200 0.283 0.000 2.230 348 E HA 0.013 4.363 4.350 -0.000 0.000 0.192 348 E C 0.639 177.303 176.600 0.106 0.000 0.987 348 E CA 0.223 56.741 56.400 0.198 0.000 0.841 348 E CB 0.555 30.396 29.700 0.235 0.000 0.783 348 E HN -0.092 nan 8.360 nan 0.000 0.481 349 S N -1.870 113.912 115.700 0.136 0.000 2.615 349 S HA 0.227 4.697 4.470 -0.000 0.000 0.269 349 S C -0.085 174.578 174.600 0.105 0.000 1.161 349 S CA -0.348 57.842 58.200 -0.018 0.000 0.817 349 S CB 1.402 64.383 63.200 -0.365 0.000 1.131 349 S HN 0.038 nan 8.310 nan 0.000 0.467 350 T N -0.227 114.361 114.554 0.057 0.000 3.040 350 T HA 0.325 4.675 4.350 -0.000 0.000 0.266 350 T C 0.006 174.766 174.700 0.101 0.000 1.005 350 T CA -0.269 61.890 62.100 0.099 0.000 0.906 350 T CB -0.374 68.533 68.868 0.064 0.000 1.082 350 T HN 0.402 nan 8.240 nan 0.000 0.531 351 N N 1.597 120.321 118.700 0.040 0.000 2.469 351 N HA 0.193 4.933 4.740 -0.000 0.000 0.253 351 N C 0.725 176.276 175.510 0.069 0.000 0.970 351 N CA -1.241 51.848 53.050 0.064 0.000 0.940 351 N CB 0.912 39.390 38.487 -0.016 0.000 1.128 351 N HN 0.378 nan 8.380 nan 0.000 0.503 352 Y N 3.352 123.786 120.300 0.224 0.000 2.384 352 Y HA -0.047 4.503 4.550 -0.000 0.000 0.289 352 Y C 1.564 177.648 175.900 0.308 0.000 1.152 352 Y CA 1.421 59.736 58.100 0.359 0.000 1.258 352 Y CB -0.478 38.240 38.460 0.431 0.000 0.979 352 Y HN 0.467 nan 8.280 nan 0.000 0.549 353 A N 1.021 123.427 122.820 -0.690 0.000 1.872 353 A HA -0.168 4.152 4.320 -0.000 0.000 0.214 353 A C 2.191 179.563 177.584 -0.353 0.000 1.187 353 A CA 1.436 53.122 52.037 -0.585 0.000 0.614 353 A CB -0.758 18.037 19.000 -0.343 0.000 0.826 353 A HN 0.621 nan 8.150 nan 0.000 0.442 354 Q N -1.500 118.113 119.800 -0.312 0.000 2.248 354 Q HA -0.237 4.103 4.340 -0.000 0.000 0.208 354 Q C 1.795 177.575 176.000 -0.367 0.000 0.984 354 Q CA 1.827 57.432 55.803 -0.330 0.000 0.875 354 Q CB -0.344 28.182 28.738 -0.353 0.000 0.910 354 Q HN 0.839 nan 8.270 nan 0.000 0.433 355 Y N -0.092 120.111 120.300 -0.162 0.000 2.153 355 Y HA -0.127 4.423 4.550 -0.000 0.000 0.289 355 Y C 2.374 178.127 175.900 -0.246 0.000 1.119 355 Y CA 0.758 58.739 58.100 -0.199 0.000 1.116 355 Y CB -0.473 37.928 38.460 -0.099 0.000 1.004 355 Y HN 0.058 nan 8.280 nan 0.000 0.501 356 M N -0.518 119.062 119.600 -0.032 0.000 2.103 356 M HA -0.324 4.156 4.480 -0.000 0.000 0.255 356 M C 2.438 178.560 176.300 -0.296 0.000 1.074 356 M CA 2.120 57.302 55.300 -0.196 0.000 1.090 356 M CB -1.508 31.011 32.600 -0.135 0.000 1.325 356 M HN 0.321 nan 8.290 nan 0.000 0.403 357 S N -0.302 115.182 115.700 -0.361 0.000 2.356 357 S HA -0.152 4.318 4.470 -0.000 0.000 0.223 357 S C 2.094 176.682 174.600 -0.020 0.000 1.032 357 S CA 1.351 59.417 58.200 -0.222 0.000 1.005 357 S CB -0.173 62.913 63.200 -0.191 0.000 0.867 357 S HN 0.439 nan 8.310 nan 0.000 0.449 358 R N 0.171 120.490 120.500 -0.302 0.000 2.115 358 R HA 0.027 4.367 4.340 -0.000 0.000 0.230 358 R C 2.438 178.619 176.300 -0.199 0.000 1.111 358 R CA 1.032 56.813 56.100 -0.531 0.000 0.976 358 R CB -0.520 29.384 30.300 -0.661 0.000 0.870 358 R HN 0.509 nan 8.270 nan 0.000 0.445 359 A N 0.059 122.773 122.820 -0.178 0.000 1.877 359 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 359 A C 1.746 179.311 177.584 -0.032 0.000 1.186 359 A CA 1.238 53.179 52.037 -0.160 0.000 0.620 359 A CB -0.764 18.066 19.000 -0.284 0.000 0.822 359 A HN 0.385 nan 8.150 nan 0.000 0.443 360 Y N -0.187 120.138 120.300 0.042 0.000 2.352 360 Y HA 0.008 4.558 4.550 -0.000 0.000 0.292 360 Y C 2.797 178.906 175.900 0.349 0.000 1.136 360 Y CA 0.446 58.650 58.100 0.173 0.000 1.227 360 Y CB -0.494 38.047 38.460 0.135 0.000 0.991 360 Y HN 0.348 nan 8.280 nan 0.000 0.545 361 A N -0.133 122.913 122.820 0.377 0.000 1.874 361 A HA -0.106 4.214 4.320 -0.000 0.000 0.214 361 A C 2.113 179.743 177.584 0.078 0.000 1.189 361 A CA 1.249 53.355 52.037 0.114 0.000 0.615 361 A CB -0.393 18.659 19.000 0.087 0.000 0.830 361 A HN 0.367 nan 8.150 nan 0.000 0.443 362 E N -1.033 119.214 120.200 0.078 0.000 2.153 362 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 362 E C 1.678 178.333 176.600 0.092 0.000 0.988 362 E CA 1.227 57.661 56.400 0.057 0.000 0.811 362 E CB -0.275 29.449 29.700 0.041 0.000 0.746 362 E HN 0.738 nan 8.360 nan 0.000 0.466 363 F N 1.104 121.056 119.950 0.003 0.000 2.234 363 F HA -0.080 4.447 4.527 -0.000 0.000 0.299 363 F C 1.881 177.670 175.800 -0.018 0.000 1.087 363 F CA 0.860 58.852 58.000 -0.014 0.000 1.340 363 F CB -0.028 38.950 39.000 -0.036 0.000 1.031 363 F HN -0.112 nan 8.300 nan 0.000 0.500 364 L N -0.199 120.945 121.223 -0.133 0.000 2.478 364 L HA 0.059 4.399 4.340 -0.000 0.000 0.223 364 L C 2.235 178.992 176.870 -0.188 0.000 1.140 364 L CA 0.826 55.531 54.840 -0.226 0.000 0.842 364 L CB -0.790 41.255 42.059 -0.023 0.000 0.953 364 L HN 0.331 nan 8.230 nan 0.000 0.452 365 G N -0.084 108.637 108.800 -0.132 0.000 3.141 365 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.218 365 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.218 365 G C 0.425 175.269 174.900 -0.092 0.000 1.170 365 G CA -0.328 44.718 45.100 -0.091 0.000 0.769 365 G HN 0.481 nan 8.290 nan 0.000 0.546 366 E N 0.790 120.903 120.200 -0.146 0.000 2.360 366 E HA 0.155 4.505 4.350 -0.000 0.000 0.269 366 E C -0.953 175.595 176.600 -0.086 0.000 1.022 366 E CA -0.695 55.639 56.400 -0.109 0.000 0.887 366 E CB 0.966 30.586 29.700 -0.133 0.000 0.990 366 E HN 0.024 nan 8.360 nan 0.000 0.426 367 D N 3.477 123.844 120.400 -0.055 0.000 2.424 367 D HA 0.030 4.670 4.640 -0.000 0.000 0.244 367 D C -1.578 174.697 176.300 -0.042 0.000 1.134 367 D CA -1.689 52.286 54.000 -0.042 0.000 0.881 367 D CB 1.158 41.938 40.800 -0.033 0.000 1.191 367 D HN 0.276 nan 8.370 nan 0.000 0.445 368 P HA 0.079 nan 4.420 nan 0.000 0.225 368 P C 1.302 178.587 177.300 -0.025 0.000 1.156 368 P CA 0.389 63.474 63.100 -0.026 0.000 0.787 368 P CB 0.210 31.904 31.700 -0.011 0.000 0.802 369 G N -0.050 108.735 108.800 -0.024 0.000 2.440 369 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 369 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 369 G C 1.741 176.625 174.900 -0.028 0.000 1.154 369 G CA 0.749 45.834 45.100 -0.023 0.000 0.767 369 G HN 0.218 nan 8.290 nan 0.000 0.552 370 S N -0.016 115.665 115.700 -0.032 0.000 2.507 370 S HA 0.214 4.684 4.470 -0.000 0.000 0.235 370 S C 1.947 176.525 174.600 -0.037 0.000 0.988 370 S CA 1.284 59.463 58.200 -0.035 0.000 0.944 370 S CB -0.411 62.768 63.200 -0.036 0.000 0.762 370 S HN 1.140 nan 8.310 nan 0.000 0.526 371 G N 1.098 109.875 108.800 -0.038 0.000 2.601 371 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.306 371 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.306 371 G C 0.753 175.622 174.900 -0.052 0.000 1.172 371 G CA 0.980 46.052 45.100 -0.047 0.000 0.966 371 G HN 0.775 nan 8.290 nan 0.000 0.542 372 T N -0.612 113.907 114.554 -0.059 0.000 3.085 372 T HA 0.448 4.798 4.350 -0.000 0.000 0.264 372 T C 0.207 174.882 174.700 -0.042 0.000 1.019 372 T CA 0.701 62.769 62.100 -0.054 0.000 0.910 372 T CB 0.481 69.305 68.868 -0.073 0.000 1.059 372 T HN 0.485 nan 8.240 nan 0.000 0.542 373 D N 2.343 122.717 120.400 -0.043 0.000 2.360 373 D HA 0.534 5.174 4.640 -0.000 0.000 0.242 373 D C 0.507 176.780 176.300 -0.045 0.000 1.184 373 D CA -0.269 53.705 54.000 -0.044 0.000 0.930 373 D CB 0.730 41.504 40.800 -0.043 0.000 1.161 373 D HN 0.409 nan 8.370 nan 0.000 0.447 374 A N 1.042 123.827 122.820 -0.058 0.000 2.445 374 A HA 0.291 4.611 4.320 -0.000 0.000 0.242 374 A C 0.116 177.668 177.584 -0.053 0.000 1.075 374 A CA -0.048 51.947 52.037 -0.070 0.000 0.777 374 A CB 0.228 19.168 19.000 -0.101 0.000 1.013 374 A HN 0.468 nan 8.150 nan 0.000 0.493 375 R N 2.548 123.030 120.500 -0.031 0.000 2.443 375 R HA 0.251 4.591 4.340 -0.000 0.000 0.287 375 R C -2.385 173.906 176.300 -0.015 0.000 1.425 375 R CA -1.474 54.612 56.100 -0.023 0.000 1.300 375 R CB 1.200 31.505 30.300 0.009 0.000 1.129 375 R HN 0.453 nan 8.270 nan 0.000 0.577 376 P HA -0.177 nan 4.420 nan 0.000 0.216 376 P C 0.917 178.019 177.300 -0.330 0.000 1.153 376 P CA 1.378 64.350 63.100 -0.213 0.000 0.858 376 P CB 0.389 31.884 31.700 -0.342 0.000 0.789 377 S N -0.411 115.123 115.700 -0.277 0.000 2.359 377 S HA -0.187 4.283 4.470 -0.000 0.000 0.223 377 S C 1.817 176.412 174.600 -0.007 0.000 1.039 377 S CA 1.293 59.370 58.200 -0.205 0.000 1.042 377 S CB -1.305 61.816 63.200 -0.132 0.000 0.915 377 S HN 0.058 nan 8.310 nan 0.000 0.439 378 L N 0.870 122.121 121.223 0.046 0.000 2.017 378 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 378 L C 1.997 178.995 176.870 0.213 0.000 1.073 378 L CA 1.690 56.603 54.840 0.121 0.000 0.745 378 L CB -0.810 41.314 42.059 0.108 0.000 0.894 378 L HN 0.340 nan 8.230 nan 0.000 0.432 379 F N -1.536 118.485 119.950 0.118 0.000 2.161 379 F HA -0.284 4.243 4.527 -0.000 0.000 0.300 379 F C 1.837 177.832 175.800 0.325 0.000 1.089 379 F CA 1.469 59.588 58.000 0.198 0.000 1.282 379 F CB -0.227 38.879 39.000 0.176 0.000 1.010 379 F HN 0.165 nan 8.300 nan 0.000 0.485 380 W N 1.102 122.439 121.300 0.061 0.000 2.335 380 W HA -0.110 4.550 4.660 -0.000 0.000 0.311 380 W C 2.631 179.138 176.519 -0.019 0.000 1.213 380 W CA 1.336 58.667 57.345 -0.023 0.000 1.274 380 W CB -1.218 28.267 29.460 0.042 0.000 1.148 380 W HN -0.025 nan 8.180 nan 0.000 0.498 381 R N -0.311 120.362 120.500 0.289 0.000 2.073 381 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 381 R C 2.270 178.678 176.300 0.180 0.000 1.134 381 R CA 1.509 57.785 56.100 0.293 0.000 0.952 381 R CB -1.039 29.409 30.300 0.246 0.000 0.850 381 R HN 0.207 nan 8.270 nan 0.000 0.433 382 L N 0.067 121.328 121.223 0.062 0.000 2.017 382 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 382 L C 2.647 179.453 176.870 -0.106 0.000 1.073 382 L CA 1.361 56.179 54.840 -0.037 0.000 0.745 382 L CB -0.612 41.441 42.059 -0.010 0.000 0.894 382 L HN 0.276 nan 8.230 nan 0.000 0.432 383 A N -0.019 122.682 122.820 -0.199 0.000 2.015 383 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 383 A C 2.318 179.881 177.584 -0.035 0.000 1.163 383 A CA 1.547 53.504 52.037 -0.132 0.000 0.646 383 A CB -0.921 17.812 19.000 -0.444 0.000 0.806 383 A HN 0.467 nan 8.150 nan 0.000 0.448 384 G N -0.503 108.300 108.800 0.005 0.000 2.430 384 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.216 384 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.216 384 G C 1.514 176.433 174.900 0.032 0.000 1.146 384 G CA 0.728 45.883 45.100 0.093 0.000 0.793 384 G HN 0.407 nan 8.290 nan 0.000 0.537 385 L N -0.376 120.771 121.223 -0.127 0.000 2.046 385 L HA -0.013 4.327 4.340 -0.000 0.000 0.208 385 L C 2.668 179.394 176.870 -0.239 0.000 1.077 385 L CA 0.627 55.241 54.840 -0.377 0.000 0.747 385 L CB -0.256 41.580 42.059 -0.372 0.000 0.896 385 L HN 0.248 nan 8.230 nan 0.000 0.432 386 L N -0.273 120.866 121.223 -0.141 0.000 2.072 386 L HA -0.066 4.274 4.340 -0.000 0.000 0.205 386 L C 2.588 179.478 176.870 0.032 0.000 1.079 386 L CA 1.860 56.650 54.840 -0.084 0.000 0.752 386 L CB -0.611 41.331 42.059 -0.195 0.000 0.906 386 L HN 0.122 nan 8.230 nan 0.000 0.436 387 A N -1.463 121.389 122.820 0.053 0.000 1.902 387 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 387 A C 2.422 180.102 177.584 0.160 0.000 1.181 387 A CA 2.009 54.141 52.037 0.159 0.000 0.623 387 A CB -1.001 18.044 19.000 0.075 0.000 0.818 387 A HN 0.487 nan 8.150 nan 0.000 0.443 388 S N -0.200 115.453 115.700 -0.077 0.000 2.423 388 S HA -0.128 4.342 4.470 -0.000 0.000 0.231 388 S C 2.341 176.748 174.600 -0.322 0.000 1.014 388 S CA 1.522 59.554 58.200 -0.279 0.000 0.965 388 S CB -0.321 62.493 63.200 -0.642 0.000 0.785 388 S HN 0.887 nan 8.310 nan 0.000 0.495 389 S N 1.211 116.829 115.700 -0.137 0.000 2.395 389 S HA 0.031 4.501 4.470 -0.000 0.000 0.225 389 S C 2.077 176.897 174.600 0.367 0.000 1.027 389 S CA 1.138 59.523 58.200 0.308 0.000 0.965 389 S CB -0.741 62.737 63.200 0.464 0.000 0.812 389 S HN 0.463 nan 8.310 nan 0.000 0.482 390 G N 0.205 109.202 108.800 0.328 0.000 2.422 390 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.218 390 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.218 390 G C 1.175 175.892 174.900 -0.306 0.000 1.140 390 G CA 0.693 45.897 45.100 0.174 0.000 0.775 390 G HN 0.529 nan 8.290 nan 0.000 0.545 391 F N 2.314 121.995 119.950 -0.447 0.000 2.146 391 F HA 0.186 4.713 4.527 -0.000 0.000 0.298 391 F C 2.674 178.375 175.800 -0.166 0.000 1.096 391 F CA 0.966 58.661 58.000 -0.508 0.000 1.275 391 F CB -0.250 38.615 39.000 -0.224 0.000 1.008 391 F HN 0.203 nan 8.300 nan 0.000 0.480 392 A N -0.444 122.385 122.820 0.015 0.000 1.968 392 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 392 A C 2.123 179.716 177.584 0.014 0.000 1.169 392 A CA 1.289 53.367 52.037 0.067 0.000 0.638 392 A CB -1.441 17.803 19.000 0.406 0.000 0.812 392 A HN 0.500 nan 8.150 nan 0.000 0.446 393 F N 0.005 119.872 119.950 -0.140 0.000 2.060 393 F HA -0.111 4.415 4.527 -0.000 0.000 0.295 393 F C 2.270 177.884 175.800 -0.310 0.000 1.120 393 F CA 2.038 59.859 58.000 -0.298 0.000 1.205 393 F CB -0.432 38.080 39.000 -0.813 0.000 0.986 393 F HN 0.050 nan 8.300 nan 0.000 0.470 394 V N 0.974 120.773 119.914 -0.192 0.000 2.568 394 V HA -0.275 3.845 4.120 -0.000 0.000 0.253 394 V C 1.999 178.000 176.094 -0.154 0.000 1.072 394 V CA 2.436 64.627 62.300 -0.180 0.000 1.084 394 V CB -0.727 31.067 31.823 -0.048 0.000 0.676 394 V HN 0.426 nan 8.190 nan 0.000 0.469 395 N N 0.793 119.327 118.700 -0.277 0.000 2.109 395 N HA 0.009 4.749 4.740 -0.000 0.000 0.188 395 N C 1.930 177.316 175.510 -0.207 0.000 1.034 395 N CA 1.764 54.657 53.050 -0.262 0.000 0.846 395 N CB -0.743 37.480 38.487 -0.441 0.000 1.010 395 N HN 0.524 nan 8.380 nan 0.000 0.425 396 A N 1.004 123.689 122.820 -0.225 0.000 1.948 396 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 396 A C 2.281 179.694 177.584 -0.285 0.000 1.177 396 A CA 2.208 54.108 52.037 -0.229 0.000 0.636 396 A CB -1.002 17.953 19.000 -0.075 0.000 0.815 396 A HN 0.358 nan 8.150 nan 0.000 0.449 397 A N -0.541 122.090 122.820 -0.316 0.000 1.829 397 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 397 A C 1.846 179.304 177.584 -0.210 0.000 1.207 397 A CA 1.980 53.839 52.037 -0.296 0.000 0.622 397 A CB -1.315 17.392 19.000 -0.488 0.000 0.846 397 A HN 0.659 nan 8.150 nan 0.000 0.447 398 H N -0.117 118.844 119.070 -0.182 0.000 2.330 398 H HA -0.167 4.389 4.556 -0.000 0.000 0.290 398 H C 2.374 177.604 175.328 -0.163 0.000 1.111 398 H CA 2.181 58.146 56.048 -0.138 0.000 1.226 398 H CB -0.409 29.279 29.762 -0.122 0.000 1.355 398 H HN 0.580 nan 8.280 nan 0.000 0.485 399 A N 1.159 123.899 122.820 -0.133 0.000 1.877 399 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 399 A C 1.632 179.075 177.584 -0.236 0.000 1.301 399 A CA 2.415 54.291 52.037 -0.268 0.000 0.699 399 A CB -1.053 17.647 19.000 -0.500 0.000 0.844 399 A HN 0.786 nan 8.150 nan 0.000 0.464 400 H N -1.557 117.481 119.070 -0.053 0.000 2.537 400 H HA 0.394 4.950 4.556 -0.000 0.000 0.295 400 H C 0.087 175.359 175.328 -0.093 0.000 1.054 400 H CA -0.280 55.719 56.048 -0.082 0.000 1.156 400 H CB -0.509 29.186 29.762 -0.112 0.000 1.468 400 H HN 0.479 nan 8.280 nan 0.000 0.551 401 D N 0.849 121.267 120.400 0.030 0.000 2.802 401 D HA -0.170 4.470 4.640 -0.000 0.000 0.229 401 D C -0.602 175.710 176.300 0.020 0.000 1.203 401 D CA 1.129 55.123 54.000 -0.010 0.000 0.712 401 D CB -1.294 39.492 40.800 -0.024 0.000 0.973 401 D HN 0.846 nan 8.370 nan 0.000 0.407 402 A N 1.088 123.958 122.820 0.084 0.000 2.586 402 A HA 0.612 4.932 4.320 -0.000 0.000 0.296 402 A C -0.896 176.839 177.584 0.253 0.000 1.040 402 A CA -0.657 51.481 52.037 0.167 0.000 0.701 402 A CB 1.135 20.227 19.000 0.153 0.000 1.277 402 A HN 0.218 nan 8.150 nan 0.000 0.413 403 I N 1.529 122.236 120.570 0.229 0.000 2.447 403 I HA 0.442 4.612 4.170 -0.000 0.000 0.287 403 I C 0.501 176.618 176.117 0.001 0.000 1.023 403 I CA -0.614 60.745 61.300 0.098 0.000 1.083 403 I CB 1.867 39.845 38.000 -0.036 0.000 1.245 403 I HN 0.758 nan 8.210 nan 0.000 0.434 404 R N 3.825 124.101 120.500 -0.373 0.000 2.484 404 R HA 0.034 4.374 4.340 -0.000 0.000 0.293 404 R C 1.104 177.187 176.300 -0.361 0.000 1.023 404 R CA -0.231 55.339 56.100 -0.884 0.000 1.037 404 R CB 0.656 30.276 30.300 -1.132 0.000 0.951 404 R HN 0.636 nan 8.270 nan 0.000 0.418 405 L N 4.272 125.303 121.223 -0.319 0.000 2.127 405 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 405 L C 2.086 178.880 176.870 -0.127 0.000 1.089 405 L CA 2.400 57.139 54.840 -0.168 0.000 0.757 405 L CB -0.382 41.575 42.059 -0.171 0.000 0.899 405 L HN 0.825 nan 8.230 nan 0.000 0.434 406 S N -2.042 113.557 115.700 -0.168 0.000 2.402 406 S HA -0.135 4.335 4.470 -0.000 0.000 0.229 406 S C 1.682 176.277 174.600 -0.007 0.000 1.021 406 S CA 0.941 59.080 58.200 -0.101 0.000 0.974 406 S CB -0.597 62.528 63.200 -0.126 0.000 0.800 406 S HN 0.491 nan 8.310 nan 0.000 0.484 407 D N 1.570 121.981 120.400 0.018 0.000 2.103 407 D HA 0.033 4.673 4.640 -0.000 0.000 0.199 407 D C 1.929 178.310 176.300 0.135 0.000 0.978 407 D CA 0.704 54.809 54.000 0.175 0.000 0.829 407 D CB -0.580 40.359 40.800 0.231 0.000 0.981 407 D HN 0.301 nan 8.370 nan 0.000 0.464 408 L N 1.046 122.349 121.223 0.134 0.000 1.997 408 L HA -0.190 4.150 4.340 -0.000 0.000 0.216 408 L C 2.269 179.166 176.870 0.046 0.000 1.074 408 L CA 1.578 56.498 54.840 0.133 0.000 0.763 408 L CB -0.647 41.476 42.059 0.107 0.000 0.890 408 L HN 0.029 nan 8.230 nan 0.000 0.434 409 L N -1.228 120.003 121.223 0.014 0.000 2.093 409 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 409 L C 2.478 179.339 176.870 -0.015 0.000 1.085 409 L CA 1.214 56.042 54.840 -0.020 0.000 0.755 409 L CB -1.315 40.711 42.059 -0.055 0.000 0.904 409 L HN 0.490 nan 8.230 nan 0.000 0.435 410 G N -0.457 108.371 108.800 0.048 0.000 2.394 410 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.215 410 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.215 410 G C 1.473 176.539 174.900 0.276 0.000 1.165 410 G CA 0.358 45.546 45.100 0.146 0.000 0.784 410 G HN 0.263 nan 8.290 nan 0.000 0.535 411 F N 1.445 121.377 119.950 -0.031 0.000 2.095 411 F HA -0.030 4.497 4.527 -0.000 0.000 0.298 411 F C 2.433 178.148 175.800 -0.143 0.000 1.104 411 F CA 1.318 59.169 58.000 -0.249 0.000 1.232 411 F CB -0.219 38.170 39.000 -1.017 0.000 0.987 411 F HN 0.033 nan 8.300 nan 0.000 0.475 412 L N -0.337 120.782 121.223 -0.173 0.000 2.083 412 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 412 L C 2.741 179.546 176.870 -0.109 0.000 1.083 412 L CA 1.081 55.805 54.840 -0.193 0.000 0.752 412 L CB -1.270 40.748 42.059 -0.068 0.000 0.899 412 L HN 0.277 nan 8.230 nan 0.000 0.433 413 A N -0.684 122.121 122.820 -0.025 0.000 1.854 413 A HA -0.179 4.140 4.320 -0.000 0.000 0.214 413 A C 2.124 179.814 177.584 0.177 0.000 1.192 413 A CA 1.119 53.240 52.037 0.140 0.000 0.611 413 A CB -0.732 18.265 19.000 -0.006 0.000 0.832 413 A HN 0.387 nan 8.150 nan 0.000 0.442 414 H N 0.025 119.235 119.070 0.234 0.000 2.423 414 H HA -0.022 4.534 4.556 -0.000 0.000 0.297 414 H C 2.508 177.839 175.328 0.005 0.000 1.075 414 H CA 1.310 57.504 56.048 0.244 0.000 1.342 414 H CB -0.339 29.666 29.762 0.406 0.000 1.395 414 H HN 0.439 nan 8.280 nan 0.000 0.530 415 S N 0.585 116.213 115.700 -0.120 0.000 2.351 415 S HA -0.197 4.273 4.470 -0.000 0.000 0.220 415 S C 2.221 176.716 174.600 -0.175 0.000 1.035 415 S CA 1.410 59.418 58.200 -0.321 0.000 1.031 415 S CB -0.088 62.743 63.200 -0.615 0.000 0.928 415 S HN 0.419 nan 8.310 nan 0.000 0.433 416 R N 0.656 121.120 120.500 -0.061 0.000 2.105 416 R HA -0.089 4.251 4.340 -0.000 0.000 0.239 416 R C 2.005 178.418 176.300 0.188 0.000 1.135 416 R CA 1.395 57.499 56.100 0.007 0.000 0.967 416 R CB -0.368 29.870 30.300 -0.103 0.000 0.861 416 R HN 0.264 nan 8.270 nan 0.000 0.442 417 V N 0.803 120.930 119.914 0.356 0.000 2.283 417 V HA -0.195 3.925 4.120 -0.000 0.000 0.243 417 V C 2.298 178.459 176.094 0.113 0.000 1.039 417 V CA 1.621 64.165 62.300 0.406 0.000 1.016 417 V CB -0.349 31.784 31.823 0.518 0.000 0.650 417 V HN 0.305 nan 8.190 nan 0.000 0.449 418 L N 0.273 121.452 121.223 -0.074 0.000 2.046 418 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 418 L C 2.703 179.387 176.870 -0.310 0.000 1.077 418 L CA 1.656 56.315 54.840 -0.302 0.000 0.747 418 L CB -0.789 41.014 42.059 -0.426 0.000 0.896 418 L HN 0.349 nan 8.230 nan 0.000 0.432 419 A N 0.047 122.641 122.820 -0.376 0.000 1.978 419 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 419 A C 2.359 179.849 177.584 -0.158 0.000 1.170 419 A CA 1.868 53.561 52.037 -0.573 0.000 0.636 419 A CB -1.137 17.501 19.000 -0.604 0.000 0.810 419 A HN 0.475 nan 8.150 nan 0.000 0.448 420 G N -0.528 108.246 108.800 -0.044 0.000 2.396 420 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.214 420 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.214 420 G C 1.492 176.412 174.900 0.034 0.000 1.166 420 G CA 0.736 45.876 45.100 0.067 0.000 0.793 420 G HN 0.413 nan 8.290 nan 0.000 0.533 421 L N 0.703 121.868 121.223 -0.097 0.000 2.201 421 L HA 0.002 4.342 4.340 -0.000 0.000 0.212 421 L C 3.293 180.124 176.870 -0.066 0.000 1.105 421 L CA 0.840 55.512 54.840 -0.279 0.000 0.775 421 L CB -0.307 41.219 42.059 -0.889 0.000 0.913 421 L HN 0.318 nan 8.230 nan 0.000 0.440 422 A N 0.098 122.926 122.820 0.013 0.000 1.872 422 A HA -0.033 4.287 4.320 -0.000 0.000 0.214 422 A C 2.527 180.360 177.584 0.415 0.000 1.187 422 A CA 1.397 53.578 52.037 0.241 0.000 0.614 422 A CB -0.537 18.584 19.000 0.202 0.000 0.826 422 A HN 0.347 nan 8.150 nan 0.000 0.442 423 A N -0.359 122.671 122.820 0.350 0.000 1.930 423 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 423 A C 2.265 179.918 177.584 0.114 0.000 1.175 423 A CA 1.386 53.576 52.037 0.256 0.000 0.627 423 A CB -0.338 18.800 19.000 0.231 0.000 0.815 423 A HN 0.525 nan 8.150 nan 0.000 0.443 424 R N -1.288 119.283 120.500 0.118 0.000 2.066 424 R HA 0.007 4.346 4.340 -0.000 0.000 0.224 424 R C 2.293 178.648 176.300 0.091 0.000 1.122 424 R CA 0.992 57.142 56.100 0.083 0.000 0.974 424 R CB -0.370 29.973 30.300 0.072 0.000 0.871 424 R HN 0.486 nan 8.270 nan 0.000 0.435 425 G N -0.479 108.414 108.800 0.155 0.000 2.603 425 G HA2 0.019 3.979 3.960 -0.000 0.000 0.214 425 G HA3 0.019 3.979 3.960 -0.000 0.000 0.214 425 G C 1.080 176.065 174.900 0.142 0.000 1.140 425 G CA 0.594 45.801 45.100 0.178 0.000 0.800 425 G HN 0.370 nan 8.290 nan 0.000 0.533 426 A N -0.391 122.535 122.820 0.176 0.000 2.141 426 A HA 0.712 5.032 4.320 -0.000 0.000 0.201 426 A C 2.026 179.620 177.584 0.016 0.000 1.344 426 A CA 1.185 53.333 52.037 0.185 0.000 0.971 426 A CB 0.172 19.407 19.000 0.392 0.000 1.035 426 A HN 0.509 nan 8.150 nan 0.000 0.480 427 A N -1.280 121.461 122.820 -0.131 0.000 2.308 427 A HA 0.459 4.779 4.320 -0.000 0.000 0.217 427 A C 1.676 179.141 177.584 -0.198 0.000 1.216 427 A CA 1.102 52.890 52.037 -0.414 0.000 0.864 427 A CB -0.514 18.034 19.000 -0.755 0.000 0.902 427 A HN 1.800 nan 8.150 nan 0.000 0.499 428 G N -1.469 107.278 108.800 -0.088 0.000 2.159 428 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.256 428 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.256 428 G C 0.422 175.302 174.900 -0.034 0.000 0.977 428 G CA 0.247 45.315 45.100 -0.054 0.000 0.652 428 G HN 0.571 nan 8.290 nan 0.000 0.531 429 c N 0.431 119.014 118.600 -0.028 0.000 2.480 429 c HA 0.808 5.378 4.570 -0.000 0.000 0.344 429 c C 1.219 175.328 174.090 0.032 0.000 1.380 429 c CA 0.386 56.715 56.329 0.000 0.000 2.386 429 c CB 0.996 43.508 42.510 0.003 0.000 2.210 429 c HN 1.249 nan 8.230 nan 0.000 0.640 430 A N 0.406 123.257 122.820 0.051 0.000 2.303 430 A HA 0.611 4.931 4.320 -0.000 0.000 0.320 430 A C 0.796 178.445 177.584 0.108 0.000 1.192 430 A CA 0.240 52.322 52.037 0.075 0.000 0.821 430 A CB 0.686 19.729 19.000 0.072 0.000 1.188 430 A HN 1.268 nan 8.150 nan 0.000 0.492 431 A N 1.925 124.831 122.820 0.143 0.000 1.997 431 A HA -0.205 4.115 4.320 -0.000 0.000 0.221 431 A C 1.405 179.099 177.584 0.183 0.000 1.172 431 A CA 2.040 54.198 52.037 0.202 0.000 0.645 431 A CB -0.582 18.631 19.000 0.354 0.000 0.813 431 A HN 0.856 nan 8.150 nan 0.000 0.454 432 D N 0.135 120.632 120.400 0.162 0.000 2.392 432 D HA -0.095 4.545 4.640 -0.000 0.000 0.228 432 D C 1.497 177.869 176.300 0.121 0.000 1.003 432 D CA 1.264 55.343 54.000 0.133 0.000 0.917 432 D CB -0.325 40.541 40.800 0.110 0.000 0.890 432 D HN 0.636 nan 8.370 nan 0.000 0.532 433 S N -0.602 115.175 115.700 0.129 0.000 2.603 433 S HA 0.161 4.631 4.470 -0.000 0.000 0.232 433 S C 0.668 175.381 174.600 0.189 0.000 1.016 433 S CA -0.532 57.755 58.200 0.144 0.000 0.976 433 S CB 0.252 63.522 63.200 0.117 0.000 0.921 433 S HN -0.017 nan 8.310 nan 0.000 0.516 434 V N 3.883 123.895 119.914 0.164 0.000 2.740 434 V HA 0.446 4.566 4.120 -0.000 0.000 0.303 434 V C -0.099 176.123 176.094 0.213 0.000 1.054 434 V CA -0.129 62.256 62.300 0.141 0.000 1.106 434 V CB -0.193 31.706 31.823 0.127 0.000 0.957 434 V HN 0.580 nan 8.190 nan 0.000 0.486 435 F N 4.328 124.364 119.950 0.142 0.000 2.629 435 F HA 0.902 5.429 4.527 -0.000 0.000 0.316 435 F C -1.225 174.673 175.800 0.163 0.000 1.081 435 F CA -1.810 56.261 58.000 0.117 0.000 0.954 435 F CB 1.880 40.932 39.000 0.087 0.000 1.337 435 F HN 0.373 nan 8.300 nan 0.000 0.474 436 L N 3.211 124.647 121.223 0.354 0.000 2.580 436 L HA 0.548 4.888 4.340 -0.000 0.000 0.266 436 L C -2.211 174.811 176.870 0.253 0.000 0.955 436 L CA -0.364 54.621 54.840 0.241 0.000 0.886 436 L CB 1.879 43.975 42.059 0.063 0.000 1.263 436 L HN 0.687 nan 8.230 nan 0.000 0.406 437 N N 4.595 123.471 118.700 0.293 0.000 2.621 437 N HA 0.409 5.149 4.740 -0.000 0.000 0.237 437 N C -0.911 174.699 175.510 0.167 0.000 0.997 437 N CA -0.257 52.913 53.050 0.201 0.000 0.918 437 N CB 2.130 40.732 38.487 0.192 0.000 1.122 437 N HN 0.365 nan 8.380 nan 0.000 0.510 438 V N 1.483 121.474 119.914 0.128 0.000 2.498 438 V HA 0.373 4.493 4.120 -0.000 0.000 0.279 438 V C 0.660 176.845 176.094 0.151 0.000 1.048 438 V CA -0.284 62.108 62.300 0.153 0.000 0.967 438 V CB 1.263 33.164 31.823 0.130 0.000 0.988 438 V HN 0.757 nan 8.190 nan 0.000 0.473 439 S N 1.964 117.773 115.700 0.181 0.000 2.598 439 S HA 0.127 4.597 4.470 -0.000 0.000 0.209 439 S C 0.357 175.071 174.600 0.190 0.000 1.029 439 S CA 0.105 58.398 58.200 0.155 0.000 1.172 439 S CB 0.679 63.950 63.200 0.118 0.000 1.427 439 S HN 0.699 nan 8.310 nan 0.000 0.418 440 V N -0.973 119.078 119.914 0.228 0.000 2.951 440 V HA 0.381 4.501 4.120 -0.000 0.000 0.255 440 V C 0.742 176.943 176.094 0.180 0.000 1.088 440 V CA 0.361 62.803 62.300 0.237 0.000 1.109 440 V CB -0.761 31.217 31.823 0.258 0.000 0.724 440 V HN 0.625 nan 8.190 nan 0.000 0.471 441 L N 1.291 122.605 121.223 0.152 0.000 2.421 441 L HA 0.450 4.790 4.340 -0.000 0.000 0.263 441 L C 0.142 177.069 176.870 0.096 0.000 1.122 441 L CA -0.419 54.489 54.840 0.114 0.000 0.804 441 L CB 0.502 42.621 42.059 0.101 0.000 1.150 441 L HN 0.107 nan 8.230 nan 0.000 0.457 442 D N 1.625 122.071 120.400 0.077 0.000 2.424 442 D HA 0.068 4.708 4.640 -0.000 0.000 0.244 442 D C -1.699 174.638 176.300 0.061 0.000 1.134 442 D CA -1.286 52.755 54.000 0.069 0.000 0.881 442 D CB 1.345 42.178 40.800 0.056 0.000 1.191 442 D HN 0.170 nan 8.370 nan 0.000 0.445 443 P HA -0.083 nan 4.420 nan 0.000 0.217 443 P C 0.699 178.023 177.300 0.041 0.000 1.150 443 P CA 1.413 64.544 63.100 0.051 0.000 0.832 443 P CB 0.129 31.859 31.700 0.050 0.000 0.787 444 A N 0.037 122.880 122.820 0.039 0.000 1.897 444 A HA 0.015 4.335 4.320 -0.000 0.000 0.215 444 A C 2.322 179.924 177.584 0.029 0.000 1.181 444 A CA 1.764 53.819 52.037 0.031 0.000 0.620 444 A CB -1.551 17.467 19.000 0.030 0.000 0.821 444 A HN 0.173 nan 8.150 nan 0.000 0.443 445 A N -0.152 122.688 122.820 0.033 0.000 1.972 445 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 445 A C 2.187 179.790 177.584 0.031 0.000 1.169 445 A CA 1.769 53.825 52.037 0.031 0.000 0.635 445 A CB -0.451 18.569 19.000 0.034 0.000 0.810 445 A HN 0.570 nan 8.150 nan 0.000 0.446 446 R N -0.178 120.344 120.500 0.036 0.000 2.066 446 R HA -0.029 4.311 4.340 -0.000 0.000 0.232 446 R C 1.937 178.251 176.300 0.023 0.000 1.131 446 R CA 1.500 57.620 56.100 0.034 0.000 0.955 446 R CB -0.430 29.895 30.300 0.042 0.000 0.851 446 R HN 0.483 nan 8.270 nan 0.000 0.432 447 L N 0.322 121.558 121.223 0.021 0.000 2.042 447 L HA -0.198 4.141 4.340 -0.000 0.000 0.210 447 L C 2.743 179.620 176.870 0.011 0.000 1.076 447 L CA 1.595 56.443 54.840 0.014 0.000 0.749 447 L CB -0.531 41.537 42.059 0.015 0.000 0.893 447 L HN 0.309 nan 8.230 nan 0.000 0.432 448 R N -0.287 120.221 120.500 0.014 0.000 2.070 448 R HA -0.190 4.150 4.340 -0.000 0.000 0.233 448 R C 2.244 178.552 176.300 0.013 0.000 1.137 448 R CA 1.270 57.378 56.100 0.013 0.000 0.945 448 R CB -0.611 29.698 30.300 0.016 0.000 0.845 448 R HN 0.164 nan 8.270 nan 0.000 0.430 449 L N 1.814 123.046 121.223 0.015 0.000 2.013 449 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 449 L C 1.883 178.756 176.870 0.006 0.000 1.073 449 L CA 1.865 56.712 54.840 0.012 0.000 0.753 449 L CB -0.336 41.731 42.059 0.015 0.000 0.890 449 L HN 0.165 nan 8.230 nan 0.000 0.432 450 E N -1.011 119.190 120.200 0.002 0.000 2.153 450 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 450 E C 2.122 178.719 176.600 -0.004 0.000 0.988 450 E CA 0.964 57.359 56.400 -0.008 0.000 0.811 450 E CB -0.248 29.444 29.700 -0.012 0.000 0.746 450 E HN 0.664 nan 8.360 nan 0.000 0.466 451 A N 1.204 124.027 122.820 0.005 0.000 1.897 451 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 451 A C 2.091 179.695 177.584 0.033 0.000 1.181 451 A CA 1.406 53.450 52.037 0.011 0.000 0.620 451 A CB -0.283 18.720 19.000 0.005 0.000 0.821 451 A HN 0.028 nan 8.150 nan 0.000 0.443 452 R N 0.050 120.570 120.500 0.034 0.000 2.073 452 R HA 0.010 4.350 4.340 -0.000 0.000 0.234 452 R C 1.925 178.263 176.300 0.063 0.000 1.134 452 R CA 1.576 57.714 56.100 0.063 0.000 0.952 452 R CB -0.753 29.574 30.300 0.044 0.000 0.850 452 R HN 0.476 nan 8.270 nan 0.000 0.433 453 L N -0.332 120.904 121.223 0.022 0.000 2.042 453 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 453 L C 2.418 179.284 176.870 -0.008 0.000 1.076 453 L CA 1.558 56.395 54.840 -0.005 0.000 0.749 453 L CB -0.981 41.063 42.059 -0.025 0.000 0.893 453 L HN 0.552 nan 8.230 nan 0.000 0.432 454 G N -1.364 107.439 108.800 0.005 0.000 2.476 454 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.218 454 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.218 454 G C 1.507 176.431 174.900 0.040 0.000 1.164 454 G CA 1.008 46.112 45.100 0.007 0.000 0.768 454 G HN 0.481 nan 8.290 nan 0.000 0.560 455 H N 0.594 119.651 119.070 -0.023 0.000 2.357 455 H HA 0.049 4.605 4.556 -0.000 0.000 0.301 455 H C 2.587 177.905 175.328 -0.018 0.000 1.082 455 H CA 1.133 57.171 56.048 -0.017 0.000 1.342 455 H CB -0.018 29.737 29.762 -0.011 0.000 1.389 455 H HN 0.313 nan 8.280 nan 0.000 0.511 456 L N 0.306 121.460 121.223 -0.116 0.000 2.141 456 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 456 L C 2.778 179.567 176.870 -0.135 0.000 1.094 456 L CA 0.530 55.276 54.840 -0.158 0.000 0.763 456 L CB -0.435 41.584 42.059 -0.067 0.000 0.908 456 L HN 0.104 nan 8.230 nan 0.000 0.437 457 V N 0.546 120.404 119.914 -0.094 0.000 2.407 457 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 457 V C 2.817 178.860 176.094 -0.085 0.000 1.055 457 V CA 1.871 64.124 62.300 -0.079 0.000 1.049 457 V CB -0.839 30.949 31.823 -0.059 0.000 0.662 457 V HN 0.486 nan 8.190 nan 0.000 0.455 458 A N -0.018 122.740 122.820 -0.104 0.000 1.855 458 A HA -0.048 4.272 4.320 -0.000 0.000 0.215 458 A C 2.464 179.968 177.584 -0.134 0.000 1.191 458 A CA 1.962 53.940 52.037 -0.098 0.000 0.613 458 A CB -0.973 17.984 19.000 -0.071 0.000 0.829 458 A HN 0.539 nan 8.150 nan 0.000 0.442 459 A N 0.306 122.983 122.820 -0.240 0.000 1.849 459 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 459 A C 2.110 179.627 177.584 -0.112 0.000 1.202 459 A CA 1.815 53.729 52.037 -0.206 0.000 0.629 459 A CB -0.957 17.874 19.000 -0.281 0.000 0.834 459 A HN 0.519 nan 8.150 nan 0.000 0.447 460 I N -0.275 120.234 120.570 -0.102 0.000 2.143 460 I HA -0.343 3.827 4.170 -0.000 0.000 0.245 460 I C 2.319 178.437 176.117 0.002 0.000 1.068 460 I CA 1.702 62.970 61.300 -0.053 0.000 1.326 460 I CB -0.463 37.504 38.000 -0.054 0.000 1.028 460 I HN 0.330 nan 8.210 nan 0.000 0.412 461 L N 0.034 121.241 121.223 -0.027 0.000 2.362 461 L HA -0.182 4.158 4.340 -0.000 0.000 0.219 461 L C 2.497 179.379 176.870 0.021 0.000 1.134 461 L CA 1.046 55.872 54.840 -0.024 0.000 0.807 461 L CB -0.473 41.538 42.059 -0.080 0.000 0.927 461 L HN 0.452 nan 8.230 nan 0.000 0.447 462 E N 0.388 120.586 120.200 -0.002 0.000 2.083 462 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 462 E C 2.212 178.811 176.600 -0.001 0.000 0.950 462 E CA -0.094 56.307 56.400 0.000 0.000 0.849 462 E CB 0.112 29.802 29.700 -0.018 0.000 0.827 462 E HN 0.299 nan 8.360 nan 0.000 0.465 463 R N 0.610 121.095 120.500 -0.025 0.000 2.070 463 R HA 0.010 4.350 4.340 -0.000 0.000 0.232 463 R C 0.833 177.105 176.300 -0.047 0.000 1.138 463 R CA 0.934 57.011 56.100 -0.039 0.000 0.936 463 R CB -0.167 30.099 30.300 -0.057 0.000 0.839 463 R HN 0.199 nan 8.270 nan 0.000 0.429 464 E N 0.711 120.879 120.200 -0.054 0.000 2.349 464 E HA 0.032 4.382 4.350 -0.000 0.000 0.265 464 E C 0.682 177.211 176.600 -0.118 0.000 1.064 464 E CA 0.093 56.432 56.400 -0.101 0.000 0.886 464 E CB 1.346 30.963 29.700 -0.138 0.000 1.036 464 E HN 0.217 nan 8.360 nan 0.000 0.413 465 Q N 0.180 119.869 119.800 -0.186 0.000 2.316 465 Q HA 0.082 4.422 4.340 -0.000 0.000 0.235 465 Q C 0.633 176.419 176.000 -0.357 0.000 0.863 465 Q CA -0.032 55.632 55.803 -0.231 0.000 0.939 465 Q CB 0.724 29.386 28.738 -0.127 0.000 1.108 465 Q HN 0.311 nan 8.270 nan 0.000 0.522 466 S N 1.191 116.711 115.700 -0.300 0.000 2.563 466 S HA 0.012 4.482 4.470 -0.000 0.000 0.284 466 S C 1.177 175.599 174.600 -0.295 0.000 1.331 466 S CA -0.295 57.765 58.200 -0.233 0.000 1.047 466 S CB 0.529 63.634 63.200 -0.159 0.000 0.859 466 S HN 0.287 nan 8.310 nan 0.000 0.514 467 L N 6.450 127.578 121.223 -0.158 0.000 2.156 467 L HA 0.040 4.380 4.340 -0.000 0.000 0.208 467 L C 1.989 178.827 176.870 -0.053 0.000 1.095 467 L CA 1.660 56.447 54.840 -0.088 0.000 0.770 467 L CB -0.621 41.430 42.059 -0.014 0.000 0.914 467 L HN 0.629 nan 8.230 nan 0.000 0.439 468 V N 0.300 120.196 119.914 -0.029 0.000 2.407 468 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 468 V C 2.790 178.882 176.094 -0.004 0.000 1.055 468 V CA 1.599 63.906 62.300 0.013 0.000 1.049 468 V CB -1.690 30.194 31.823 0.100 0.000 0.662 468 V HN 0.601 nan 8.190 nan 0.000 0.455 469 A N -0.919 121.873 122.820 -0.048 0.000 1.874 469 A HA -0.167 4.152 4.320 -0.000 0.000 0.214 469 A C 2.058 179.595 177.584 -0.079 0.000 1.189 469 A CA 1.476 53.475 52.037 -0.063 0.000 0.615 469 A CB -0.859 18.065 19.000 -0.128 0.000 0.830 469 A HN 0.663 nan 8.150 nan 0.000 0.443 470 H N -0.773 118.145 119.070 -0.254 0.000 2.457 470 H HA -0.046 4.510 4.556 -0.000 0.000 0.297 470 H C 2.287 177.040 175.328 -0.958 0.000 1.092 470 H CA 0.604 56.349 56.048 -0.505 0.000 1.309 470 H CB 0.109 29.659 29.762 -0.352 0.000 1.382 470 H HN 0.568 nan 8.280 nan 0.000 0.535 471 A N 0.689 123.277 122.820 -0.386 0.000 2.072 471 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 471 A C 2.140 179.596 177.584 -0.212 0.000 1.156 471 A CA 0.416 52.292 52.037 -0.267 0.000 0.701 471 A CB -0.174 18.841 19.000 0.025 0.000 0.816 471 A HN 0.275 nan 8.150 nan 0.000 0.458 472 L N -0.142 120.963 121.223 -0.197 0.000 2.179 472 L HA 0.130 4.470 4.340 -0.000 0.000 0.208 472 L C 2.237 178.996 176.870 -0.185 0.000 1.096 472 L CA 1.975 56.714 54.840 -0.168 0.000 0.779 472 L CB -0.870 41.133 42.059 -0.095 0.000 0.922 472 L HN 0.258 nan 8.230 nan 0.000 0.443 473 G N -1.437 107.227 108.800 -0.226 0.000 2.408 473 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 473 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 473 G C 1.236 176.095 174.900 -0.068 0.000 1.150 473 G CA 0.922 45.917 45.100 -0.174 0.000 0.776 473 G HN 0.425 nan 8.290 nan 0.000 0.542 474 Y N 0.380 120.653 120.300 -0.045 0.000 2.163 474 Y HA -0.061 4.489 4.550 -0.000 0.000 0.288 474 Y C 2.856 178.695 175.900 -0.101 0.000 1.136 474 Y CA 0.825 58.915 58.100 -0.016 0.000 1.147 474 Y CB -1.122 37.363 38.460 0.042 0.000 0.987 474 Y HN 0.297 nan 8.280 nan 0.000 0.509 475 Q N 0.159 119.835 119.800 -0.205 0.000 2.291 475 Q HA -0.138 4.202 4.340 -0.000 0.000 0.206 475 Q C 1.919 177.782 176.000 -0.228 0.000 0.976 475 Q CA 0.945 56.363 55.803 -0.642 0.000 0.875 475 Q CB -0.157 27.945 28.738 -1.060 0.000 0.927 475 Q HN 0.523 nan 8.270 nan 0.000 0.450 476 L N -0.259 120.880 121.223 -0.140 0.000 2.131 476 L HA -0.053 4.287 4.340 -0.000 0.000 0.206 476 L C 2.470 179.284 176.870 -0.094 0.000 1.087 476 L CA 0.826 55.607 54.840 -0.100 0.000 0.767 476 L CB -0.519 41.483 42.059 -0.094 0.000 0.917 476 L HN 0.284 nan 8.230 nan 0.000 0.441 477 A N -0.119 122.654 122.820 -0.078 0.000 1.902 477 A HA -0.276 4.043 4.320 -0.000 0.000 0.217 477 A C 2.123 179.510 177.584 -0.329 0.000 1.181 477 A CA 1.349 53.249 52.037 -0.228 0.000 0.623 477 A CB -0.793 18.130 19.000 -0.128 0.000 0.818 477 A HN 0.387 nan 8.150 nan 0.000 0.443 478 F N 0.650 120.522 119.950 -0.131 0.000 2.126 478 F HA -0.176 4.351 4.527 -0.000 0.000 0.299 478 F C 2.233 178.018 175.800 -0.026 0.000 1.096 478 F CA 2.035 60.064 58.000 0.048 0.000 1.255 478 F CB -0.231 38.867 39.000 0.163 0.000 0.997 478 F HN 0.033 nan 8.300 nan 0.000 0.479 479 V N 0.595 120.505 119.914 -0.006 0.000 2.427 479 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 479 V C 2.379 178.378 176.094 -0.159 0.000 1.051 479 V CA 1.835 64.079 62.300 -0.092 0.000 1.048 479 V CB -0.580 31.218 31.823 -0.042 0.000 0.666 479 V HN 0.372 nan 8.190 nan 0.000 0.456 480 L N -0.506 120.604 121.223 -0.187 0.000 2.156 480 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 480 L C 1.408 178.143 176.870 -0.226 0.000 1.095 480 L CA 1.207 55.934 54.840 -0.188 0.000 0.770 480 L CB -0.527 41.415 42.059 -0.194 0.000 0.914 480 L HN 0.422 nan 8.230 nan 0.000 0.439 481 D N 0.509 120.693 120.400 -0.359 0.000 2.751 481 D HA -0.179 4.461 4.640 -0.000 0.000 0.233 481 D C 0.182 176.418 176.300 -0.107 0.000 1.149 481 D CA 0.803 54.675 54.000 -0.214 0.000 0.682 481 D CB -0.554 40.188 40.800 -0.096 0.000 1.068 481 D HN 0.402 nan 8.370 nan 0.000 0.429 482 S N -1.732 113.800 115.700 -0.279 0.000 2.532 482 S HA 0.767 5.237 4.470 -0.000 0.000 0.301 482 S C -1.799 172.796 174.600 -0.008 0.000 1.083 482 S CA -1.150 56.998 58.200 -0.088 0.000 1.025 482 S CB 2.670 65.813 63.200 -0.094 0.000 1.056 482 S HN -0.185 nan 8.310 nan 0.000 0.494 483 P HA -0.029 nan 4.420 nan 0.000 0.215 483 P C 1.644 178.993 177.300 0.081 0.000 1.153 483 P CA 1.994 65.176 63.100 0.137 0.000 0.853 483 P CB -0.162 31.586 31.700 0.079 0.000 0.788 484 A N 0.263 123.098 122.820 0.026 0.000 1.859 484 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 484 A C 2.363 179.946 177.584 -0.001 0.000 1.198 484 A CA 2.688 54.731 52.037 0.011 0.000 0.629 484 A CB -1.722 17.277 19.000 -0.002 0.000 0.830 484 A HN 0.199 nan 8.150 nan 0.000 0.446 485 A N -1.364 121.418 122.820 -0.063 0.000 1.859 485 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 485 A C 2.063 179.613 177.584 -0.056 0.000 1.198 485 A CA 1.850 53.817 52.037 -0.118 0.000 0.629 485 A CB -1.064 17.778 19.000 -0.263 0.000 0.830 485 A HN 0.607 nan 8.150 nan 0.000 0.446 486 Y N 0.513 120.825 120.300 0.020 0.000 2.483 486 Y HA -0.049 4.501 4.550 -0.000 0.000 0.291 486 Y C 2.613 178.522 175.900 0.016 0.000 1.143 486 Y CA 0.364 58.478 58.100 0.024 0.000 1.289 486 Y CB -1.031 37.440 38.460 0.019 0.000 0.983 486 Y HN 0.328 nan 8.280 nan 0.000 0.556 487 G N -0.619 108.265 108.800 0.140 0.000 2.404 487 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.214 487 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.214 487 G C 1.986 176.921 174.900 0.059 0.000 1.189 487 G CA 0.849 46.000 45.100 0.084 0.000 0.789 487 G HN 0.430 nan 8.290 nan 0.000 0.533 488 A N 0.495 123.340 122.820 0.043 0.000 1.892 488 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 488 A C 2.567 180.173 177.584 0.037 0.000 1.188 488 A CA 2.892 54.944 52.037 0.026 0.000 0.631 488 A CB -0.836 18.168 19.000 0.007 0.000 0.822 488 A HN 0.971 nan 8.150 nan 0.000 0.447 489 V N -3.472 116.487 119.914 0.075 0.000 3.541 489 V HA 0.388 4.508 4.120 -0.000 0.000 0.267 489 V C 2.227 178.381 176.094 0.099 0.000 1.213 489 V CA 0.927 63.303 62.300 0.126 0.000 1.149 489 V CB -0.953 31.015 31.823 0.242 0.000 0.822 489 V HN 0.497 nan 8.190 nan 0.000 0.462 490 A N 1.414 124.273 122.820 0.065 0.000 1.873 490 A HA 0.059 4.379 4.320 -0.000 0.000 0.215 490 A C 0.702 178.283 177.584 -0.006 0.000 1.186 490 A CA 1.927 53.975 52.037 0.019 0.000 0.616 490 A CB -1.782 17.239 19.000 0.035 0.000 0.823 490 A HN 0.587 nan 8.150 nan 0.000 0.442 491 P HA -0.164 nan 4.420 nan 0.000 0.215 491 P C 1.950 179.252 177.300 0.003 0.000 1.157 491 P CA 1.889 64.991 63.100 0.004 0.000 0.868 491 P CB -0.137 31.568 31.700 0.008 0.000 0.788 492 S N -0.959 114.748 115.700 0.011 0.000 2.359 492 S HA -0.224 4.246 4.470 -0.000 0.000 0.224 492 S C 1.966 176.612 174.600 0.076 0.000 1.035 492 S CA 1.615 59.831 58.200 0.026 0.000 1.018 492 S CB -1.060 62.113 63.200 -0.044 0.000 0.876 492 S HN 0.083 nan 8.310 nan 0.000 0.448 493 A N 1.222 124.003 122.820 -0.066 0.000 1.902 493 A HA 0.218 4.538 4.320 -0.000 0.000 0.217 493 A C 2.466 179.954 177.584 -0.159 0.000 1.181 493 A CA 1.842 53.664 52.037 -0.359 0.000 0.623 493 A CB -1.366 17.253 19.000 -0.634 0.000 0.818 493 A HN 0.754 nan 8.150 nan 0.000 0.443 494 A N -0.289 122.476 122.820 -0.093 0.000 1.877 494 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 494 A C 2.267 179.843 177.584 -0.014 0.000 1.186 494 A CA 1.802 53.806 52.037 -0.054 0.000 0.620 494 A CB -0.511 18.469 19.000 -0.033 0.000 0.822 494 A HN 0.544 nan 8.150 nan 0.000 0.443 495 R N -0.831 119.677 120.500 0.014 0.000 2.096 495 R HA -0.110 4.229 4.340 -0.000 0.000 0.235 495 R C 2.069 178.411 176.300 0.071 0.000 1.127 495 R CA 1.546 57.674 56.100 0.046 0.000 0.968 495 R CB -0.373 29.961 30.300 0.057 0.000 0.861 495 R HN 0.482 nan 8.270 nan 0.000 0.440 496 L N 0.969 122.246 121.223 0.089 0.000 2.027 496 L HA -0.116 4.224 4.340 -0.000 0.000 0.206 496 L C 2.023 178.939 176.870 0.076 0.000 1.074 496 L CA 1.653 56.564 54.840 0.117 0.000 0.745 496 L CB -0.319 41.854 42.059 0.190 0.000 0.898 496 L HN 0.197 nan 8.230 nan 0.000 0.433 497 I N -0.124 120.462 120.570 0.026 0.000 2.151 497 I HA -0.355 3.815 4.170 -0.000 0.000 0.243 497 I C 2.178 178.323 176.117 0.046 0.000 1.080 497 I CA 1.678 62.983 61.300 0.008 0.000 1.339 497 I CB -0.672 37.296 38.000 -0.053 0.000 1.039 497 I HN 0.382 nan 8.210 nan 0.000 0.409 498 D N 0.823 121.253 120.400 0.051 0.000 2.123 498 D HA -0.162 4.478 4.640 -0.000 0.000 0.196 498 D C 2.207 178.582 176.300 0.125 0.000 0.992 498 D CA 1.662 55.717 54.000 0.092 0.000 0.833 498 D CB 0.021 40.862 40.800 0.069 0.000 0.954 498 D HN 0.387 nan 8.370 nan 0.000 0.455 499 A N 0.495 123.374 122.820 0.099 0.000 1.969 499 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 499 A C 2.414 180.060 177.584 0.103 0.000 1.169 499 A CA 0.661 52.754 52.037 0.093 0.000 0.635 499 A CB -0.521 18.530 19.000 0.086 0.000 0.810 499 A HN 0.217 nan 8.150 nan 0.000 0.445 500 L N -2.197 119.095 121.223 0.114 0.000 2.156 500 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 500 L C 2.546 179.525 176.870 0.181 0.000 1.095 500 L CA 1.294 56.206 54.840 0.121 0.000 0.770 500 L CB -0.674 41.443 42.059 0.096 0.000 0.914 500 L HN 0.533 nan 8.230 nan 0.000 0.439 501 Y N 1.282 121.610 120.300 0.047 0.000 2.274 501 Y HA -0.185 4.365 4.550 -0.000 0.000 0.290 501 Y C 2.438 178.421 175.900 0.138 0.000 1.145 501 Y CA 0.853 59.000 58.100 0.079 0.000 1.203 501 Y CB -0.214 38.262 38.460 0.027 0.000 0.984 501 Y HN 0.087 nan 8.280 nan 0.000 0.533 502 A N -0.309 122.537 122.820 0.044 0.000 2.016 502 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 502 A C 2.043 179.604 177.584 -0.038 0.000 1.162 502 A CA 1.308 53.314 52.037 -0.052 0.000 0.662 502 A CB -0.338 18.668 19.000 0.009 0.000 0.812 502 A HN 0.395 nan 8.150 nan 0.000 0.450 503 E N -0.899 119.319 120.200 0.030 0.000 2.152 503 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 503 E C 1.618 178.237 176.600 0.030 0.000 0.983 503 E CA 0.938 57.357 56.400 0.032 0.000 0.818 503 E CB -0.366 29.372 29.700 0.065 0.000 0.758 503 E HN 0.755 nan 8.360 nan 0.000 0.467 504 F N 0.605 120.497 119.950 -0.096 0.000 2.270 504 F HA -0.054 4.473 4.527 -0.000 0.000 0.295 504 F C 1.900 177.584 175.800 -0.193 0.000 1.087 504 F CA 0.456 58.391 58.000 -0.109 0.000 1.365 504 F CB -0.026 38.944 39.000 -0.052 0.000 1.056 504 F HN -0.080 nan 8.300 nan 0.000 0.506 505 L N 0.948 121.953 121.223 -0.364 0.000 2.201 505 L HA 0.053 4.393 4.340 -0.000 0.000 0.212 505 L C 2.589 179.266 176.870 -0.321 0.000 1.105 505 L CA 1.751 56.307 54.840 -0.473 0.000 0.775 505 L CB -1.543 40.248 42.059 -0.448 0.000 0.913 505 L HN 0.325 nan 8.230 nan 0.000 0.440 506 G N -1.931 106.737 108.800 -0.220 0.000 2.448 506 G HA2 0.204 4.164 3.960 -0.000 0.000 0.218 506 G HA3 0.204 4.164 3.960 -0.000 0.000 0.218 506 G C 1.267 176.073 174.900 -0.156 0.000 1.135 506 G CA 0.726 45.739 45.100 -0.144 0.000 0.784 506 G HN 0.585 nan 8.290 nan 0.000 0.543 507 G N -1.048 107.621 108.800 -0.220 0.000 2.296 507 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.188 507 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.188 507 G C 0.601 175.418 174.900 -0.138 0.000 1.000 507 G CA -0.110 44.865 45.100 -0.209 0.000 0.672 507 G HN 0.553 nan 8.290 nan 0.000 0.483 508 R N 0.525 120.976 120.500 -0.082 0.000 2.652 508 R HA 0.685 5.025 4.340 -0.000 0.000 0.271 508 R C 0.321 176.644 176.300 0.038 0.000 1.129 508 R CA 0.364 56.455 56.100 -0.015 0.000 1.200 508 R CB 0.677 30.980 30.300 0.006 0.000 1.146 508 R HN 0.500 nan 8.270 nan 0.000 0.581 509 A N 1.033 123.888 122.820 0.058 0.000 2.350 509 A HA 0.440 4.760 4.320 -0.000 0.000 0.324 509 A C -0.739 176.896 177.584 0.085 0.000 1.118 509 A CA -0.652 51.441 52.037 0.093 0.000 0.783 509 A CB 0.937 19.978 19.000 0.068 0.000 1.236 509 A HN 0.387 nan 8.150 nan 0.000 0.457 510 L N 2.905 124.184 121.223 0.092 0.000 2.719 510 L HA 0.234 4.574 4.340 -0.000 0.000 0.236 510 L C 1.585 178.486 176.870 0.051 0.000 1.285 510 L CA 0.873 55.754 54.840 0.069 0.000 1.222 510 L CB -0.362 41.732 42.059 0.059 0.000 1.493 510 L HN 0.918 nan 8.230 nan 0.000 0.415 511 T N -3.902 110.680 114.554 0.047 0.000 2.990 511 T HA 0.328 4.678 4.350 -0.000 0.000 0.249 511 T C 0.971 175.685 174.700 0.024 0.000 1.039 511 T CA 0.261 62.384 62.100 0.039 0.000 1.036 511 T CB 0.253 69.148 68.868 0.044 0.000 0.994 511 T HN 0.266 nan 8.240 nan 0.000 0.489 512 A N 3.323 126.157 122.820 0.024 0.000 2.546 512 A HA 0.414 4.734 4.320 -0.000 0.000 0.243 512 A C -0.944 176.637 177.584 -0.005 0.000 1.063 512 A CA -1.007 51.036 52.037 0.010 0.000 0.757 512 A CB 0.039 19.049 19.000 0.016 0.000 0.991 512 A HN 0.189 nan 8.150 nan 0.000 0.503 513 P HA -0.220 nan 4.420 nan 0.000 0.216 513 P C 1.683 178.960 177.300 -0.038 0.000 1.153 513 P CA 1.590 64.643 63.100 -0.077 0.000 0.858 513 P CB -0.025 31.611 31.700 -0.106 0.000 0.789 514 M N -1.045 118.545 119.600 -0.016 0.000 2.159 514 M HA -0.144 4.336 4.480 -0.000 0.000 0.263 514 M C 1.670 177.994 176.300 0.040 0.000 1.063 514 M CA 1.702 57.006 55.300 0.006 0.000 1.110 514 M CB -0.365 32.237 32.600 0.003 0.000 1.374 514 M HN -0.214 nan 8.290 nan 0.000 0.411 515 V N 0.757 120.697 119.914 0.042 0.000 2.307 515 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 515 V C 2.251 178.400 176.094 0.092 0.000 1.045 515 V CA 1.959 64.301 62.300 0.069 0.000 1.024 515 V CB -0.777 31.083 31.823 0.061 0.000 0.651 515 V HN 0.515 nan 8.190 nan 0.000 0.449 516 R N 0.284 120.830 120.500 0.076 0.000 2.081 516 R HA -0.186 4.154 4.340 -0.000 0.000 0.235 516 R C 2.448 178.823 176.300 0.124 0.000 1.131 516 R CA 1.753 57.930 56.100 0.127 0.000 0.960 516 R CB -0.583 29.774 30.300 0.094 0.000 0.856 516 R HN 0.428 nan 8.270 nan 0.000 0.436 517 R N 1.334 121.867 120.500 0.054 0.000 2.105 517 R HA -0.130 4.210 4.340 -0.000 0.000 0.239 517 R C 2.220 178.625 176.300 0.176 0.000 1.135 517 R CA 1.599 57.730 56.100 0.052 0.000 0.967 517 R CB -0.270 30.062 30.300 0.054 0.000 0.861 517 R HN 0.275 nan 8.270 nan 0.000 0.442 518 A N 0.970 123.902 122.820 0.187 0.000 1.898 518 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 518 A C 2.036 179.743 177.584 0.206 0.000 1.181 518 A CA 1.146 53.347 52.037 0.273 0.000 0.620 518 A CB -0.532 18.615 19.000 0.245 0.000 0.819 518 A HN 0.400 nan 8.150 nan 0.000 0.442 519 L N -1.424 119.884 121.223 0.141 0.000 2.093 519 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 519 L C 2.109 178.939 176.870 -0.067 0.000 1.085 519 L CA 1.939 56.841 54.840 0.103 0.000 0.755 519 L CB -0.740 41.447 42.059 0.212 0.000 0.904 519 L HN 0.438 nan 8.230 nan 0.000 0.435 520 F N -0.278 119.410 119.950 -0.436 0.000 2.026 520 F HA -0.312 4.215 4.527 -0.000 0.000 0.296 520 F C 2.082 177.436 175.800 -0.743 0.000 1.133 520 F CA 2.043 59.346 58.000 -1.161 0.000 1.188 520 F CB -0.820 37.442 39.000 -1.230 0.000 0.968 520 F HN 0.137 nan 8.300 nan 0.000 0.476 521 Y N 0.286 120.278 120.300 -0.513 0.000 2.352 521 Y HA 0.017 4.567 4.550 -0.000 0.000 0.292 521 Y C 2.521 178.196 175.900 -0.376 0.000 1.136 521 Y CA 0.911 58.698 58.100 -0.521 0.000 1.227 521 Y CB -1.283 37.091 38.460 -0.143 0.000 0.991 521 Y HN 0.216 nan 8.280 nan 0.000 0.545 522 A N -0.140 122.542 122.820 -0.230 0.000 1.929 522 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 522 A C 2.345 179.729 177.584 -0.333 0.000 1.176 522 A CA 2.012 53.773 52.037 -0.460 0.000 0.628 522 A CB -1.229 17.461 19.000 -0.517 0.000 0.816 522 A HN 0.478 nan 8.150 nan 0.000 0.444 523 T N -2.339 112.035 114.554 -0.300 0.000 2.904 523 T HA 0.130 4.479 4.350 -0.000 0.000 0.267 523 T C 1.886 176.402 174.700 -0.306 0.000 1.059 523 T CA 1.418 63.361 62.100 -0.262 0.000 1.137 523 T CB -0.449 68.313 68.868 -0.177 0.000 0.879 523 T HN 0.500 nan 8.240 nan 0.000 0.467 524 A N 1.019 123.602 122.820 -0.395 0.000 1.933 524 A HA 0.099 4.419 4.320 -0.000 0.000 0.218 524 A C 2.575 180.059 177.584 -0.166 0.000 1.175 524 A CA 1.483 53.340 52.037 -0.300 0.000 0.628 524 A CB -0.966 17.792 19.000 -0.404 0.000 0.814 524 A HN 0.427 nan 8.150 nan 0.000 0.444 525 V N -0.191 119.639 119.914 -0.140 0.000 2.379 525 V HA -0.145 3.975 4.120 -0.000 0.000 0.245 525 V C 2.359 178.333 176.094 -0.200 0.000 1.044 525 V CA 1.571 63.805 62.300 -0.110 0.000 1.036 525 V CB -0.539 31.279 31.823 -0.007 0.000 0.664 525 V HN 0.558 nan 8.190 nan 0.000 0.453 526 L N -0.173 120.943 121.223 -0.177 0.000 2.478 526 L HA -0.020 4.320 4.340 -0.000 0.000 0.223 526 L C 2.513 179.325 176.870 -0.097 0.000 1.140 526 L CA 0.983 55.751 54.840 -0.120 0.000 0.842 526 L CB -0.357 41.625 42.059 -0.129 0.000 0.953 526 L HN 0.294 nan 8.230 nan 0.000 0.452 527 R N 0.199 120.588 120.500 -0.185 0.000 2.206 527 R HA 0.041 4.381 4.340 -0.000 0.000 0.198 527 R C 2.311 178.554 176.300 -0.095 0.000 0.986 527 R CA 0.863 56.839 56.100 -0.207 0.000 1.029 527 R CB 0.014 30.089 30.300 -0.375 0.000 0.966 527 R HN 0.195 nan 8.270 nan 0.000 0.487 528 A N 2.161 124.832 122.820 -0.248 0.000 1.917 528 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 528 A C -0.542 176.943 177.584 -0.166 0.000 1.182 528 A CA 1.174 52.999 52.037 -0.354 0.000 0.633 528 A CB -1.330 17.026 19.000 -1.074 0.000 0.819 528 A HN 0.354 nan 8.150 nan 0.000 0.448 529 P HA -0.094 nan 4.420 nan 0.000 0.220 529 P C 0.978 178.216 177.300 -0.103 0.000 1.148 529 P CA 0.894 63.941 63.100 -0.087 0.000 0.803 529 P CB -0.166 31.468 31.700 -0.110 0.000 0.782 530 F N -1.528 118.362 119.950 -0.101 0.000 2.206 530 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 530 F C 1.933 177.703 175.800 -0.049 0.000 1.090 530 F CA 0.627 58.580 58.000 -0.077 0.000 1.323 530 F CB -0.936 38.014 39.000 -0.082 0.000 1.028 530 F HN -0.197 nan 8.300 nan 0.000 0.492 531 L N -0.255 121.047 121.223 0.131 0.000 2.275 531 L HA -0.063 4.277 4.340 -0.000 0.000 0.215 531 L C 2.290 179.194 176.870 0.058 0.000 1.119 531 L CA 1.331 56.228 54.840 0.094 0.000 0.790 531 L CB -1.486 40.623 42.059 0.083 0.000 0.919 531 L HN 0.091 nan 8.230 nan 0.000 0.443 532 A N -1.323 121.509 122.820 0.020 0.000 2.275 532 A HA 0.520 4.840 4.320 -0.000 0.000 0.212 532 A C 1.146 178.721 177.584 -0.014 0.000 1.201 532 A CA 0.519 52.562 52.037 0.011 0.000 0.843 532 A CB -0.519 18.485 19.000 0.006 0.000 0.873 532 A HN 0.433 nan 8.150 nan 0.000 0.492 533 G N -1.791 106.988 108.800 -0.035 0.000 2.767 533 G HA2 0.413 4.373 3.960 -0.000 0.000 0.686 533 G HA3 0.413 4.373 3.960 -0.000 0.000 0.686 533 G C 0.453 175.282 174.900 -0.120 0.000 1.213 533 G CA 0.071 45.133 45.100 -0.063 0.000 0.803 533 G HN 2.199 nan 8.290 nan 0.000 0.603 534 A N 0.540 123.263 122.820 -0.162 0.000 2.514 534 A HA 0.150 4.470 4.320 -0.000 0.000 0.290 534 A C -1.046 176.406 177.584 -0.221 0.000 1.435 534 A CA 1.269 53.204 52.037 -0.170 0.000 0.728 534 A CB -1.611 17.328 19.000 -0.102 0.000 1.128 534 A HN 1.793 nan 8.150 nan 0.000 0.394 535 P HA 0.545 nan 4.420 nan 0.000 0.279 535 P C 0.527 177.688 177.300 -0.232 0.000 1.252 535 P CA 0.073 62.942 63.100 -0.385 0.000 0.811 535 P CB 1.054 32.272 31.700 -0.803 0.000 1.035 536 S N 0.205 115.814 115.700 -0.152 0.000 2.614 536 S HA 0.378 4.848 4.470 -0.000 0.000 0.265 536 S C 1.405 175.970 174.600 -0.058 0.000 1.303 536 S CA -0.048 58.102 58.200 -0.084 0.000 1.000 536 S CB 0.566 63.736 63.200 -0.050 0.000 0.935 536 S HN 0.500 nan 8.310 nan 0.000 0.551 537 A N 0.493 123.296 122.820 -0.028 0.000 1.986 537 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 537 A C 2.118 179.711 177.584 0.016 0.000 1.171 537 A CA 1.919 53.957 52.037 0.002 0.000 0.640 537 A CB -1.079 17.920 19.000 -0.002 0.000 0.811 537 A HN 1.000 nan 8.150 nan 0.000 0.451 538 E N -0.739 119.464 120.200 0.005 0.000 2.112 538 E HA -0.160 4.190 4.350 -0.000 0.000 0.190 538 E C 2.159 178.781 176.600 0.036 0.000 0.979 538 E CA 0.849 57.258 56.400 0.016 0.000 0.814 538 E CB -0.098 29.606 29.700 0.006 0.000 0.762 538 E HN 0.764 nan 8.360 nan 0.000 0.460 539 Q N -0.110 119.703 119.800 0.021 0.000 2.119 539 Q HA -0.086 4.254 4.340 -0.000 0.000 0.201 539 Q C 2.263 178.357 176.000 0.156 0.000 0.972 539 Q CA 0.881 56.710 55.803 0.044 0.000 0.847 539 Q CB 0.066 28.782 28.738 -0.036 0.000 0.903 539 Q HN 0.163 nan 8.270 nan 0.000 0.433 540 R N 0.408 120.993 120.500 0.143 0.000 2.066 540 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 540 R C 2.175 178.701 176.300 0.377 0.000 1.131 540 R CA 1.338 57.662 56.100 0.373 0.000 0.955 540 R CB -0.159 30.276 30.300 0.225 0.000 0.851 540 R HN 0.164 nan 8.270 nan 0.000 0.432 541 E N 1.030 121.356 120.200 0.209 0.000 2.085 541 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 541 E C 1.969 178.626 176.600 0.094 0.000 0.994 541 E CA 1.452 57.937 56.400 0.141 0.000 0.801 541 E CB -0.067 29.674 29.700 0.069 0.000 0.743 541 E HN 0.099 nan 8.360 nan 0.000 0.453 542 R N -0.828 119.726 120.500 0.090 0.000 2.120 542 R HA -0.057 4.283 4.340 -0.000 0.000 0.234 542 R C 1.989 178.302 176.300 0.021 0.000 1.123 542 R CA 1.255 57.382 56.100 0.044 0.000 0.975 542 R CB -0.184 30.139 30.300 0.038 0.000 0.866 542 R HN 0.266 nan 8.270 nan 0.000 0.446 543 A N 0.133 123.005 122.820 0.087 0.000 1.984 543 A HA -0.035 4.285 4.320 -0.000 0.000 0.214 543 A C 2.029 179.516 177.584 -0.162 0.000 1.173 543 A CA 0.473 52.506 52.037 -0.008 0.000 0.673 543 A CB -0.267 18.779 19.000 0.076 0.000 0.830 543 A HN 0.261 nan 8.150 nan 0.000 0.453 544 R N -0.301 120.114 120.500 -0.142 0.000 2.091 544 R HA -0.098 4.242 4.340 -0.000 0.000 0.238 544 R C 2.366 178.483 176.300 -0.304 0.000 1.136 544 R CA 1.637 57.459 56.100 -0.464 0.000 0.959 544 R CB -0.237 29.902 30.300 -0.269 0.000 0.856 544 R HN 0.469 nan 8.270 nan 0.000 0.437 545 R N -0.672 119.730 120.500 -0.164 0.000 2.090 545 R HA -0.048 4.292 4.340 -0.000 0.000 0.228 545 R C 2.100 178.290 176.300 -0.184 0.000 1.110 545 R CA 1.335 57.349 56.100 -0.144 0.000 0.973 545 R CB -0.291 29.963 30.300 -0.078 0.000 0.869 545 R HN 0.399 nan 8.270 nan 0.000 0.440 546 G N 0.552 109.247 108.800 -0.176 0.000 2.443 546 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.219 546 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.219 546 G C 1.370 176.131 174.900 -0.231 0.000 1.131 546 G CA 0.267 45.256 45.100 -0.185 0.000 0.775 546 G HN 0.195 nan 8.290 nan 0.000 0.547 547 L N -0.352 120.705 121.223 -0.276 0.000 2.131 547 L HA 0.168 4.508 4.340 -0.000 0.000 0.206 547 L C 2.769 179.466 176.870 -0.288 0.000 1.087 547 L CA 0.213 54.875 54.840 -0.296 0.000 0.767 547 L CB -0.271 41.563 42.059 -0.375 0.000 0.917 547 L HN 0.136 nan 8.230 nan 0.000 0.441 548 L N -0.410 120.641 121.223 -0.287 0.000 2.083 548 L HA -0.248 4.092 4.340 -0.000 0.000 0.209 548 L C 2.432 179.100 176.870 -0.338 0.000 1.083 548 L CA 1.353 56.036 54.840 -0.261 0.000 0.752 548 L CB -0.273 41.659 42.059 -0.212 0.000 0.899 548 L HN 0.240 nan 8.230 nan 0.000 0.433 549 I N -0.554 119.784 120.570 -0.386 0.000 2.162 549 I HA -0.261 3.909 4.170 -0.000 0.000 0.238 549 I C 2.726 178.599 176.117 -0.408 0.000 1.076 549 I CA 1.922 62.902 61.300 -0.534 0.000 1.353 549 I CB -0.591 37.156 38.000 -0.421 0.000 1.063 549 I HN 0.418 nan 8.210 nan 0.000 0.408 550 T N -2.199 112.176 114.554 -0.298 0.000 2.788 550 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 550 T C 1.773 176.306 174.700 -0.278 0.000 1.044 550 T CA 1.860 63.802 62.100 -0.265 0.000 1.139 550 T CB -0.911 67.829 68.868 -0.214 0.000 0.867 550 T HN 0.216 nan 8.240 nan 0.000 0.454 551 T N 2.152 116.545 114.554 -0.269 0.000 2.746 551 T HA 0.079 4.429 4.350 -0.000 0.000 0.267 551 T C 2.469 177.040 174.700 -0.216 0.000 1.039 551 T CA 1.285 63.239 62.100 -0.243 0.000 1.142 551 T CB -0.808 67.924 68.868 -0.227 0.000 0.866 551 T HN 0.627 nan 8.240 nan 0.000 0.444 552 A N 1.232 123.907 122.820 -0.242 0.000 1.933 552 A HA 0.060 4.380 4.320 -0.000 0.000 0.218 552 A C 2.285 179.705 177.584 -0.272 0.000 1.175 552 A CA 1.023 52.957 52.037 -0.170 0.000 0.628 552 A CB -0.794 18.095 19.000 -0.185 0.000 0.814 552 A HN 0.469 nan 8.150 nan 0.000 0.444 553 L N -1.105 119.850 121.223 -0.446 0.000 2.191 553 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 553 L C 1.388 177.965 176.870 -0.489 0.000 1.103 553 L CA 0.488 54.882 54.840 -0.744 0.000 0.769 553 L CB -0.379 41.377 42.059 -0.505 0.000 0.908 553 L HN 0.515 nan 8.230 nan 0.000 0.438 554 c N 1.956 120.383 118.600 -0.289 0.000 2.484 554 c HA 0.241 4.811 4.570 -0.000 0.000 0.494 554 c C 1.436 175.485 174.090 -0.068 0.000 1.052 554 c CA -0.889 55.334 56.329 -0.177 0.000 1.307 554 c CB -1.656 40.736 42.510 -0.196 0.000 1.464 554 c HN 0.379 nan 8.230 nan 0.000 0.564 555 T N 0.407 114.963 114.554 0.003 0.000 2.788 555 T HA 0.209 4.559 4.350 -0.000 0.000 0.287 555 T C 1.463 176.261 174.700 0.164 0.000 1.007 555 T CA 0.263 62.429 62.100 0.110 0.000 1.005 555 T CB 1.050 70.019 68.868 0.169 0.000 1.012 555 T HN 0.749 nan 8.240 nan 0.000 0.530 556 S N 0.277 116.119 115.700 0.236 0.000 2.383 556 S HA -0.202 4.268 4.470 -0.000 0.000 0.229 556 S C 1.439 176.160 174.600 0.202 0.000 1.030 556 S CA 1.496 59.886 58.200 0.316 0.000 1.002 556 S CB -0.837 62.444 63.200 0.136 0.000 0.829 556 S HN 0.757 nan 8.310 nan 0.000 0.467 557 D N 1.302 121.785 120.400 0.138 0.000 2.097 557 D HA -0.014 4.626 4.640 -0.000 0.000 0.197 557 D C 2.201 178.571 176.300 0.116 0.000 0.984 557 D CA 1.217 55.283 54.000 0.110 0.000 0.826 557 D CB -0.468 40.386 40.800 0.089 0.000 0.973 557 D HN 0.351 nan 8.370 nan 0.000 0.460 558 V N 1.686 121.670 119.914 0.117 0.000 2.343 558 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 558 V C 2.558 178.697 176.094 0.075 0.000 1.051 558 V CA 1.730 64.079 62.300 0.082 0.000 1.036 558 V CB -0.782 31.062 31.823 0.035 0.000 0.654 558 V HN 0.157 nan 8.190 nan 0.000 0.451 559 A N 0.322 123.204 122.820 0.104 0.000 1.851 559 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 559 A C 2.473 180.196 177.584 0.232 0.000 1.195 559 A CA 2.422 54.541 52.037 0.137 0.000 0.622 559 A CB -1.068 18.040 19.000 0.181 0.000 0.831 559 A HN 0.602 nan 8.150 nan 0.000 0.444 560 A N -0.445 122.512 122.820 0.229 0.000 1.986 560 A HA 0.089 4.409 4.320 -0.000 0.000 0.220 560 A C 2.458 180.148 177.584 0.177 0.000 1.171 560 A CA 2.358 54.515 52.037 0.200 0.000 0.640 560 A CB -0.933 18.141 19.000 0.124 0.000 0.811 560 A HN 1.132 nan 8.150 nan 0.000 0.451 561 A N -1.856 121.044 122.820 0.134 0.000 1.897 561 A HA -0.052 4.268 4.320 -0.000 0.000 0.215 561 A C 2.332 179.979 177.584 0.104 0.000 1.181 561 A CA 2.149 54.249 52.037 0.105 0.000 0.620 561 A CB -1.154 17.896 19.000 0.084 0.000 0.821 561 A HN 0.429 nan 8.150 nan 0.000 0.443 562 T N -1.622 112.984 114.554 0.087 0.000 2.962 562 T HA -0.135 4.215 4.350 -0.000 0.000 0.270 562 T C 1.670 176.384 174.700 0.024 0.000 1.088 562 T CA 1.811 63.934 62.100 0.037 0.000 1.127 562 T CB -0.390 68.460 68.868 -0.029 0.000 0.883 562 T HN 0.691 nan 8.240 nan 0.000 0.493 563 H N 0.110 119.214 119.070 0.058 0.000 2.363 563 H HA 0.271 4.827 4.556 -0.000 0.000 0.301 563 H C 2.385 177.741 175.328 0.047 0.000 1.074 563 H CA 1.453 57.534 56.048 0.054 0.000 1.354 563 H CB -0.131 29.663 29.762 0.053 0.000 1.397 563 H HN 0.415 nan 8.280 nan 0.000 0.516 564 A N 0.287 123.212 122.820 0.176 0.000 1.898 564 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 564 A C 2.154 179.791 177.584 0.087 0.000 1.181 564 A CA 1.701 53.805 52.037 0.111 0.000 0.620 564 A CB -0.402 18.652 19.000 0.091 0.000 0.819 564 A HN 0.557 nan 8.150 nan 0.000 0.442 565 D N 0.056 120.513 120.400 0.095 0.000 2.097 565 D HA -0.137 4.503 4.640 -0.000 0.000 0.195 565 D C 1.964 178.321 176.300 0.094 0.000 0.989 565 D CA 1.357 55.422 54.000 0.107 0.000 0.827 565 D CB -0.077 40.802 40.800 0.132 0.000 0.966 565 D HN 0.433 nan 8.370 nan 0.000 0.456 566 L N 0.357 121.627 121.223 0.078 0.000 2.046 566 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 566 L C 3.022 179.884 176.870 -0.013 0.000 1.077 566 L CA 0.838 55.705 54.840 0.045 0.000 0.747 566 L CB -0.340 41.752 42.059 0.055 0.000 0.896 566 L HN -0.008 nan 8.230 nan 0.000 0.432 567 R N -0.333 120.176 120.500 0.014 0.000 2.096 567 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 567 R C 2.271 178.558 176.300 -0.022 0.000 1.127 567 R CA 1.406 57.503 56.100 -0.005 0.000 0.968 567 R CB -0.251 30.070 30.300 0.034 0.000 0.861 567 R HN 0.370 nan 8.270 nan 0.000 0.440 568 A N 0.166 122.990 122.820 0.006 0.000 2.016 568 A HA 0.037 4.357 4.320 -0.000 0.000 0.217 568 A C 2.154 179.736 177.584 -0.004 0.000 1.162 568 A CA 1.245 53.288 52.037 0.010 0.000 0.662 568 A CB -0.225 18.799 19.000 0.041 0.000 0.812 568 A HN 0.408 nan 8.150 nan 0.000 0.450 569 A N -0.081 122.725 122.820 -0.023 0.000 1.872 569 A HA 0.062 4.382 4.320 -0.000 0.000 0.214 569 A C 2.104 179.614 177.584 -0.122 0.000 1.187 569 A CA 1.250 53.258 52.037 -0.048 0.000 0.614 569 A CB -0.588 18.278 19.000 -0.225 0.000 0.826 569 A HN 0.420 nan 8.150 nan 0.000 0.442 570 L N -0.496 120.571 121.223 -0.261 0.000 2.042 570 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 570 L C 3.097 179.829 176.870 -0.230 0.000 1.076 570 L CA 1.081 55.689 54.840 -0.386 0.000 0.749 570 L CB -0.489 41.340 42.059 -0.383 0.000 0.893 570 L HN 0.452 nan 8.230 nan 0.000 0.432 571 A N -0.006 122.731 122.820 -0.139 0.000 1.908 571 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 571 A C 2.429 179.964 177.584 -0.082 0.000 1.181 571 A CA 2.015 53.997 52.037 -0.092 0.000 0.627 571 A CB -0.631 18.338 19.000 -0.052 0.000 0.818 571 A HN 0.410 nan 8.150 nan 0.000 0.445 572 R N -0.021 120.440 120.500 -0.065 0.000 2.148 572 R HA -0.065 4.275 4.340 -0.000 0.000 0.223 572 R C 0.918 177.177 176.300 -0.068 0.000 1.088 572 R CA 1.345 57.423 56.100 -0.037 0.000 0.985 572 R CB -0.408 29.899 30.300 0.012 0.000 0.880 572 R HN 0.511 nan 8.270 nan 0.000 0.451 573 T N 0.110 114.582 114.554 -0.136 0.000 2.869 573 T HA 0.075 4.425 4.350 -0.000 0.000 0.295 573 T C 0.039 174.569 174.700 -0.282 0.000 0.987 573 T CA -0.525 61.445 62.100 -0.216 0.000 1.109 573 T CB 1.404 70.084 68.868 -0.313 0.000 0.932 573 T HN 0.351 nan 8.240 nan 0.000 0.518 574 D N 0.998 121.269 120.400 -0.215 0.000 2.431 574 D HA 0.124 4.763 4.640 -0.000 0.000 0.213 574 D C 0.525 176.771 176.300 -0.090 0.000 1.130 574 D CA -0.452 53.459 54.000 -0.148 0.000 0.834 574 D CB -0.413 40.350 40.800 -0.061 0.000 0.985 574 D HN 0.776 nan 8.370 nan 0.000 0.504 575 H N -0.356 118.677 119.070 -0.062 0.000 2.921 575 H HA -0.213 4.343 4.556 -0.000 0.000 0.281 575 H C 0.729 175.999 175.328 -0.097 0.000 1.165 575 H CA 1.695 57.687 56.048 -0.093 0.000 1.151 575 H CB -1.608 28.094 29.762 -0.100 0.000 1.311 575 H HN 0.718 nan 8.280 nan 0.000 0.361 576 Q N -0.514 119.293 119.800 0.012 0.000 2.125 576 Q HA 0.128 4.468 4.340 -0.000 0.000 0.164 576 Q C 1.960 177.964 176.000 0.007 0.000 0.559 576 Q CA -0.288 55.513 55.803 -0.002 0.000 0.782 576 Q CB 0.132 28.868 28.738 -0.003 0.000 1.078 576 Q HN 0.172 nan 8.270 nan 0.000 0.431 577 K N 1.007 121.414 120.400 0.012 0.000 2.057 577 K HA 0.035 4.355 4.320 -0.000 0.000 0.206 577 K C 0.161 176.782 176.600 0.035 0.000 1.050 577 K CA 0.894 57.197 56.287 0.026 0.000 0.935 577 K CB -0.371 32.143 32.500 0.023 0.000 0.715 577 K HN 0.181 nan 8.250 nan 0.000 0.439 578 N N 1.810 120.519 118.700 0.015 0.000 2.707 578 N HA 0.268 5.008 4.740 -0.000 0.000 0.235 578 N C -0.423 175.085 175.510 -0.003 0.000 1.028 578 N CA -0.194 52.870 53.050 0.023 0.000 0.906 578 N CB 1.147 39.639 38.487 0.007 0.000 1.131 578 N HN 0.078 nan 8.380 nan 0.000 0.509 579 L N 0.645 121.885 121.223 0.028 0.000 2.479 579 L HA 0.445 4.785 4.340 -0.000 0.000 0.249 579 L C -0.082 176.754 176.870 -0.057 0.000 1.178 579 L CA -0.562 54.228 54.840 -0.082 0.000 0.811 579 L CB 0.476 42.417 42.059 -0.197 0.000 1.187 579 L HN 0.319 nan 8.230 nan 0.000 0.480 580 F N 0.639 120.351 119.950 -0.397 0.000 2.532 580 F HA 0.366 4.893 4.527 -0.000 0.000 0.365 580 F C -1.396 174.193 175.800 -0.352 0.000 1.112 580 F CA -0.895 56.956 58.000 -0.248 0.000 1.082 580 F CB 0.630 39.531 39.000 -0.165 0.000 1.319 580 F HN 0.206 nan 8.300 nan 0.000 0.457 581 W N 7.739 128.736 121.300 -0.506 0.000 2.291 581 W HA 0.354 5.014 4.660 -0.000 0.000 0.312 581 W C 0.762 176.691 176.519 -0.982 0.000 1.061 581 W CA -0.822 56.130 57.345 -0.655 0.000 1.296 581 W CB 1.202 30.448 29.460 -0.357 0.000 1.223 581 W HN 0.440 nan 8.180 nan 0.000 0.421 582 L N 6.982 127.405 121.223 -1.333 0.000 1.990 582 L HA -0.138 4.202 4.340 -0.000 0.000 0.213 582 L C -0.500 176.076 176.870 -0.490 0.000 1.072 582 L CA 2.185 56.494 54.840 -0.885 0.000 0.755 582 L CB -1.552 40.064 42.059 -0.739 0.000 0.889 582 L HN 0.173 nan 8.230 nan 0.000 0.432 583 P HA -0.162 nan 4.420 nan 0.000 0.217 583 P C 0.857 177.943 177.300 -0.357 0.000 1.151 583 P CA 1.729 64.329 63.100 -0.834 0.000 0.849 583 P CB -0.126 30.971 31.700 -1.004 0.000 0.787 584 D N -2.576 117.671 120.400 -0.254 0.000 2.350 584 D HA -0.110 4.530 4.640 -0.000 0.000 0.216 584 D C 0.997 177.072 176.300 -0.375 0.000 0.968 584 D CA 0.999 54.843 54.000 -0.260 0.000 0.894 584 D CB -0.514 40.123 40.800 -0.271 0.000 0.909 584 D HN 0.429 nan 8.370 nan 0.000 0.520 585 H N -1.013 118.013 119.070 -0.074 0.000 2.512 585 H HA 0.084 4.640 4.556 -0.000 0.000 0.276 585 H C 0.118 175.501 175.328 0.091 0.000 1.126 585 H CA -0.612 55.445 56.048 0.015 0.000 1.060 585 H CB -0.057 29.717 29.762 0.020 0.000 1.646 585 H HN 0.036 nan 8.280 nan 0.000 0.571 586 F N 3.532 123.472 119.950 -0.018 0.000 2.595 586 F HA 0.053 4.580 4.527 -0.000 0.000 0.359 586 F C 0.776 176.556 175.800 -0.034 0.000 1.147 586 F CA -0.276 57.704 58.000 -0.033 0.000 1.341 586 F CB 0.693 39.670 39.000 -0.039 0.000 1.104 586 F HN 0.013 nan 8.300 nan 0.000 0.603 587 S N 4.527 119.763 115.700 -0.775 0.000 2.570 587 S HA 0.533 5.003 4.470 -0.000 0.000 0.286 587 S C -2.338 171.685 174.600 -0.961 0.000 1.099 587 S CA -1.365 56.471 58.200 -0.606 0.000 0.913 587 S CB 2.126 65.121 63.200 -0.341 0.000 1.085 587 S HN 0.332 nan 8.310 nan 0.000 0.480 588 P HA -0.038 nan 4.420 nan 0.000 0.217 588 P C 1.131 178.168 177.300 -0.438 0.000 1.148 588 P CA 1.019 63.857 63.100 -0.436 0.000 0.828 588 P CB -0.321 31.196 31.700 -0.305 0.000 0.783 589 c N -0.600 117.762 118.600 -0.397 0.000 2.403 589 c HA -0.093 4.477 4.570 -0.000 0.000 0.279 589 c C 2.792 176.697 174.090 -0.309 0.000 1.269 589 c CA 1.352 57.500 56.329 -0.302 0.000 1.774 589 c CB -1.931 40.445 42.510 -0.224 0.000 1.993 589 c HN 0.254 nan 8.230 nan 0.000 0.496 590 A N -0.843 121.667 122.820 -0.517 0.000 2.208 590 A HA 0.506 4.826 4.320 -0.000 0.000 0.209 590 A C 1.716 179.069 177.584 -0.384 0.000 1.161 590 A CA 1.204 52.902 52.037 -0.565 0.000 0.782 590 A CB -0.217 18.043 19.000 -1.233 0.000 0.816 590 A HN 0.584 nan 8.150 nan 0.000 0.477 591 A N 0.056 122.697 122.820 -0.298 0.000 2.606 591 A HA 0.526 4.846 4.320 -0.000 0.000 0.290 591 A C 0.885 178.396 177.584 -0.123 0.000 1.174 591 A CA 0.491 52.481 52.037 -0.077 0.000 0.958 591 A CB -0.496 18.544 19.000 0.066 0.000 1.194 591 A HN 0.582 nan 8.150 nan 0.000 0.526 592 S N -0.734 114.864 115.700 -0.169 0.000 2.694 592 S HA 0.663 5.133 4.470 -0.000 0.000 0.278 592 S C 0.243 174.687 174.600 -0.260 0.000 1.152 592 S CA -0.501 57.563 58.200 -0.226 0.000 1.010 592 S CB 0.604 63.639 63.200 -0.274 0.000 1.104 592 S HN 0.245 nan 8.310 nan 0.000 0.547 593 L N 0.430 121.412 121.223 -0.402 0.000 3.094 593 L HA 0.367 4.707 4.340 -0.000 0.000 0.254 593 L C 0.220 176.431 176.870 -1.098 0.000 1.298 593 L CA -0.104 54.335 54.840 -0.668 0.000 1.050 593 L CB -0.128 41.739 42.059 -0.321 0.000 1.420 593 L HN 0.488 nan 8.230 nan 0.000 0.548 594 R N 0.354 120.282 120.500 -0.954 0.000 2.265 594 R HA 0.344 4.684 4.340 -0.000 0.000 0.328 594 R C -0.759 175.174 176.300 -0.612 0.000 0.969 594 R CA -0.379 55.313 56.100 -0.681 0.000 0.832 594 R CB 1.015 31.096 30.300 -0.365 0.000 1.139 594 R HN 0.034 nan 8.270 nan 0.000 0.457 595 F N 1.115 121.047 119.950 -0.030 0.000 2.764 595 F HA 0.128 4.655 4.527 -0.000 0.000 0.310 595 F C 0.876 176.652 175.800 -0.040 0.000 1.124 595 F CA -0.859 57.134 58.000 -0.011 0.000 1.252 595 F CB 0.386 39.420 39.000 0.058 0.000 1.010 595 F HN 0.432 nan 8.300 nan 0.000 0.518 596 D N -0.512 119.879 120.400 -0.014 0.000 2.395 596 D HA 0.060 4.700 4.640 -0.000 0.000 0.213 596 D C 1.516 177.649 176.300 -0.280 0.000 1.110 596 D CA 0.193 54.173 54.000 -0.033 0.000 0.835 596 D CB -0.328 40.495 40.800 0.037 0.000 0.965 596 D HN 0.315 nan 8.370 nan 0.000 0.505 597 L N 0.281 121.283 121.223 -0.368 0.000 2.353 597 L HA 0.025 4.364 4.340 -0.000 0.000 0.220 597 L C 1.967 178.728 176.870 -0.183 0.000 1.133 597 L CA 1.149 55.656 54.840 -0.555 0.000 0.798 597 L CB -0.103 41.786 42.059 -0.282 0.000 0.922 597 L HN 0.117 nan 8.230 nan 0.000 0.445 598 A N -1.157 121.653 122.820 -0.017 0.000 2.430 598 A HA 0.155 4.475 4.320 -0.000 0.000 0.243 598 A C 0.646 178.306 177.584 0.127 0.000 1.254 598 A CA -0.339 51.747 52.037 0.082 0.000 0.914 598 A CB -0.034 19.009 19.000 0.073 0.000 0.998 598 A HN 0.258 nan 8.150 nan 0.000 0.515 599 E N -0.879 119.435 120.200 0.190 0.000 2.392 599 E HA 0.304 4.654 4.350 -0.000 0.000 0.256 599 E C 1.496 178.229 176.600 0.222 0.000 1.145 599 E CA 0.020 56.554 56.400 0.224 0.000 0.929 599 E CB 0.511 30.392 29.700 0.302 0.000 0.998 599 E HN 0.241 nan 8.360 nan 0.000 0.442 600 G N 1.619 110.497 108.800 0.131 0.000 2.599 600 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.219 600 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.219 600 G C 1.395 176.328 174.900 0.056 0.000 1.193 600 G CA 0.983 46.128 45.100 0.075 0.000 0.778 600 G HN 0.673 nan 8.290 nan 0.000 0.589 601 G N -0.096 108.715 108.800 0.018 0.000 2.485 601 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.221 601 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.221 601 G C 1.587 176.376 174.900 -0.185 0.000 1.115 601 G CA 0.878 45.909 45.100 -0.114 0.000 0.751 601 G HN 0.401 nan 8.290 nan 0.000 0.567 602 F N 0.264 120.225 119.950 0.018 0.000 2.416 602 F HA 0.190 4.716 4.527 -0.000 0.000 0.296 602 F C 2.430 178.204 175.800 -0.043 0.000 1.099 602 F CA 0.078 58.084 58.000 0.010 0.000 1.427 602 F CB 0.111 39.137 39.000 0.043 0.000 1.079 602 F HN 0.016 nan 8.300 nan 0.000 0.536 603 I N -0.177 120.458 120.570 0.109 0.000 2.353 603 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 603 I C 2.312 178.405 176.117 -0.041 0.000 1.119 603 I CA 1.260 62.552 61.300 -0.013 0.000 1.417 603 I CB -1.380 36.621 38.000 0.003 0.000 1.078 603 I HN 0.166 nan 8.210 nan 0.000 0.421 604 L N 0.430 121.639 121.223 -0.023 0.000 2.046 604 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 604 L C 2.285 179.133 176.870 -0.038 0.000 1.077 604 L CA 1.355 56.175 54.840 -0.034 0.000 0.747 604 L CB -0.701 41.336 42.059 -0.037 0.000 0.896 604 L HN 0.183 nan 8.230 nan 0.000 0.432 605 D N 0.425 120.801 120.400 -0.040 0.000 2.116 605 D HA -0.202 4.438 4.640 -0.000 0.000 0.193 605 D C 2.204 178.499 176.300 -0.010 0.000 0.998 605 D CA 1.690 55.677 54.000 -0.023 0.000 0.836 605 D CB -0.139 40.657 40.800 -0.007 0.000 0.951 605 D HN 0.329 nan 8.370 nan 0.000 0.449 606 A N -0.035 122.761 122.820 -0.040 0.000 2.015 606 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 606 A C 2.294 179.839 177.584 -0.065 0.000 1.163 606 A CA 0.792 52.775 52.037 -0.090 0.000 0.646 606 A CB -0.468 18.289 19.000 -0.405 0.000 0.806 606 A HN 0.219 nan 8.150 nan 0.000 0.448 607 L N -1.600 119.588 121.223 -0.059 0.000 2.249 607 L HA 0.054 4.394 4.340 -0.000 0.000 0.207 607 L C 2.813 179.673 176.870 -0.017 0.000 1.090 607 L CA 0.763 55.580 54.840 -0.037 0.000 0.802 607 L CB -0.240 41.796 42.059 -0.038 0.000 0.947 607 L HN 0.361 nan 8.230 nan 0.000 0.453 608 A N -0.748 122.063 122.820 -0.015 0.000 2.119 608 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 608 A C 2.062 179.647 177.584 0.002 0.000 1.152 608 A CA 0.837 52.869 52.037 -0.007 0.000 0.708 608 A CB -0.246 18.747 19.000 -0.011 0.000 0.805 608 A HN 0.394 nan 8.150 nan 0.000 0.460 609 M N -0.353 119.252 119.600 0.009 0.000 2.419 609 M HA 0.389 4.869 4.480 -0.000 0.000 0.252 609 M C 0.486 176.803 176.300 0.027 0.000 1.143 609 M CA -0.079 55.234 55.300 0.022 0.000 0.985 609 M CB -0.038 32.582 32.600 0.034 0.000 1.489 609 M HN 0.361 nan 8.290 nan 0.000 0.484 610 A N 0.701 123.532 122.820 0.018 0.000 2.286 610 A HA 0.513 4.833 4.320 -0.000 0.000 0.286 610 A C 0.339 177.933 177.584 0.017 0.000 1.097 610 A CA -0.365 51.685 52.037 0.022 0.000 0.821 610 A CB 0.270 19.277 19.000 0.013 0.000 1.076 610 A HN 0.508 nan 8.150 nan 0.000 0.490 611 T N 0.036 114.602 114.554 0.019 0.000 2.869 611 T HA 0.482 4.832 4.350 -0.000 0.000 0.295 611 T C 0.136 174.840 174.700 0.008 0.000 0.987 611 T CA -0.624 61.484 62.100 0.014 0.000 1.109 611 T CB 0.198 69.075 68.868 0.015 0.000 0.932 611 T HN 0.626 nan 8.240 nan 0.000 0.518 612 R N 2.397 122.900 120.500 0.005 0.000 2.585 612 R HA 0.431 4.771 4.340 -0.000 0.000 0.275 612 R C 0.839 177.139 176.300 0.001 0.000 1.018 612 R CA -0.108 55.993 56.100 0.002 0.000 1.072 612 R CB 0.110 30.411 30.300 0.001 0.000 0.953 612 R HN 0.934 nan 8.270 nan 0.000 0.419 613 S N -0.033 115.666 115.700 -0.001 0.000 2.900 613 S HA 0.361 4.831 4.470 -0.000 0.000 0.320 613 S C -0.409 174.188 174.600 -0.004 0.000 1.130 613 S CA -1.024 57.174 58.200 -0.003 0.000 0.863 613 S CB 1.320 64.518 63.200 -0.004 0.000 1.295 613 S HN 0.538 nan 8.310 nan 0.000 0.596 614 D N 0.628 121.024 120.400 -0.005 0.000 2.525 614 D HA 0.360 5.000 4.640 -0.000 0.000 0.229 614 D C -0.437 175.860 176.300 -0.006 0.000 1.202 614 D CA 0.075 54.071 54.000 -0.005 0.000 0.828 614 D CB 0.102 40.899 40.800 -0.006 0.000 1.008 614 D HN 0.357 nan 8.370 nan 0.000 0.493 615 I N 1.796 122.362 120.570 -0.006 0.000 2.377 615 I HA 0.257 4.427 4.170 -0.000 0.000 0.293 615 I C -2.080 174.034 176.117 -0.006 0.000 0.987 615 I CA -2.285 59.011 61.300 -0.007 0.000 1.185 615 I CB 1.013 39.009 38.000 -0.007 0.000 1.341 615 I HN -0.385 nan 8.210 nan 0.000 0.455 616 P HA -0.006 nan 4.420 nan 0.000 0.264 616 P C 0.745 178.041 177.300 -0.006 0.000 1.179 616 P CA 0.125 63.221 63.100 -0.006 0.000 0.763 616 P CB 0.695 32.392 31.700 -0.006 0.000 0.806 617 A N 4.028 126.844 122.820 -0.006 0.000 1.927 617 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 617 A C 1.772 179.351 177.584 -0.007 0.000 1.185 617 A CA 2.190 54.222 52.037 -0.007 0.000 0.639 617 A CB -1.078 17.917 19.000 -0.007 0.000 0.820 617 A HN 0.708 nan 8.150 nan 0.000 0.451 618 D N -0.419 119.977 120.400 -0.007 0.000 2.219 618 D HA -0.073 4.567 4.640 -0.000 0.000 0.205 618 D C 1.769 178.065 176.300 -0.006 0.000 0.970 618 D CA 1.413 55.409 54.000 -0.006 0.000 0.851 618 D CB -0.597 40.199 40.800 -0.006 0.000 0.943 618 D HN 0.303 nan 8.370 nan 0.000 0.488 619 V N 0.947 120.857 119.914 -0.006 0.000 2.331 619 V HA -0.103 4.017 4.120 -0.000 0.000 0.242 619 V C 2.758 178.848 176.094 -0.006 0.000 1.034 619 V CA 1.090 63.386 62.300 -0.006 0.000 1.027 619 V CB -0.459 31.360 31.823 -0.007 0.000 0.667 619 V HN 0.104 nan 8.190 nan 0.000 0.457 620 M N 0.037 119.633 119.600 -0.006 0.000 2.202 620 M HA -0.209 4.271 4.480 -0.000 0.000 0.262 620 M C 2.125 178.420 176.300 -0.008 0.000 1.063 620 M CA 2.096 57.393 55.300 -0.005 0.000 1.097 620 M CB -0.262 32.335 32.600 -0.006 0.000 1.382 620 M HN 0.414 nan 8.290 nan 0.000 0.413 621 A N -0.462 122.351 122.820 -0.011 0.000 1.902 621 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 621 A C 1.947 179.528 177.584 -0.006 0.000 1.181 621 A CA 1.854 53.883 52.037 -0.014 0.000 0.623 621 A CB -0.794 18.199 19.000 -0.012 0.000 0.818 621 A HN 0.682 nan 8.150 nan 0.000 0.443 622 Q N -0.700 119.098 119.800 -0.003 0.000 2.123 622 Q HA -0.203 4.137 4.340 -0.000 0.000 0.199 622 Q C 2.216 178.219 176.000 0.006 0.000 0.966 622 Q CA 1.448 57.252 55.803 0.001 0.000 0.845 622 Q CB -0.150 28.587 28.738 -0.002 0.000 0.907 622 Q HN 0.788 nan 8.270 nan 0.000 0.439 623 Q N -0.555 119.248 119.800 0.006 0.000 2.096 623 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 623 Q C 2.090 178.115 176.000 0.042 0.000 0.982 623 Q CA 1.894 57.705 55.803 0.013 0.000 0.850 623 Q CB -0.112 28.631 28.738 0.007 0.000 0.901 623 Q HN 0.381 nan 8.270 nan 0.000 0.422 624 T N 0.683 115.260 114.554 0.039 0.000 2.652 624 T HA -0.181 4.168 4.350 -0.000 0.000 0.267 624 T C 1.765 176.526 174.700 0.102 0.000 1.039 624 T CA 1.277 63.410 62.100 0.055 0.000 1.153 624 T CB -0.210 68.606 68.868 -0.087 0.000 0.863 624 T HN 0.235 nan 8.240 nan 0.000 0.428 625 R N 0.118 120.647 120.500 0.048 0.000 2.117 625 R HA -0.100 4.240 4.340 -0.000 0.000 0.243 625 R C 2.705 179.046 176.300 0.069 0.000 1.143 625 R CA 1.384 57.520 56.100 0.060 0.000 0.968 625 R CB -0.593 29.727 30.300 0.033 0.000 0.863 625 R HN 0.474 nan 8.270 nan 0.000 0.444 626 G N -0.676 108.153 108.800 0.049 0.000 2.408 626 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 626 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 626 G C 1.322 176.234 174.900 0.019 0.000 1.150 626 G CA 0.549 45.660 45.100 0.018 0.000 0.776 626 G HN 0.173 nan 8.290 nan 0.000 0.542 627 V N 1.287 121.244 119.914 0.071 0.000 2.488 627 V HA 0.016 4.136 4.120 -0.000 0.000 0.246 627 V C 3.259 179.396 176.094 0.072 0.000 1.046 627 V CA 1.542 63.869 62.300 0.046 0.000 1.053 627 V CB -0.526 31.326 31.823 0.048 0.000 0.679 627 V HN 0.441 nan 8.190 nan 0.000 0.458 628 A N -0.145 122.826 122.820 0.251 0.000 1.892 628 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 628 A C 2.493 180.135 177.584 0.098 0.000 1.188 628 A CA 2.595 54.760 52.037 0.213 0.000 0.631 628 A CB -0.793 18.352 19.000 0.242 0.000 0.822 628 A HN 0.490 nan 8.150 nan 0.000 0.447 629 S N -0.963 114.780 115.700 0.072 0.000 2.402 629 S HA -0.073 4.397 4.470 -0.000 0.000 0.229 629 S C 1.858 176.478 174.600 0.034 0.000 1.021 629 S CA 1.115 59.341 58.200 0.042 0.000 0.974 629 S CB -0.308 62.902 63.200 0.016 0.000 0.800 629 S HN 0.339 nan 8.310 nan 0.000 0.484 630 V N 2.075 121.990 119.914 0.002 0.000 2.343 630 V HA -0.132 3.988 4.120 -0.000 0.000 0.247 630 V C 2.087 178.284 176.094 0.173 0.000 1.051 630 V CA 1.491 63.769 62.300 -0.037 0.000 1.036 630 V CB -0.532 31.172 31.823 -0.198 0.000 0.654 630 V HN 0.453 nan 8.190 nan 0.000 0.451 631 L N 0.236 121.578 121.223 0.199 0.000 2.141 631 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 631 L C 2.651 179.673 176.870 0.254 0.000 1.094 631 L CA 1.924 56.937 54.840 0.289 0.000 0.763 631 L CB -0.959 41.166 42.059 0.109 0.000 0.908 631 L HN 0.578 nan 8.230 nan 0.000 0.437 632 T N -3.289 111.383 114.554 0.197 0.000 2.896 632 T HA -0.086 4.264 4.350 -0.000 0.000 0.263 632 T C 2.003 176.860 174.700 0.261 0.000 1.050 632 T CA 0.331 62.584 62.100 0.255 0.000 1.140 632 T CB -0.142 68.846 68.868 0.199 0.000 0.877 632 T HN 0.230 nan 8.240 nan 0.000 0.457 633 R N -0.587 120.019 120.500 0.178 0.000 2.075 633 R HA 0.009 4.349 4.340 -0.000 0.000 0.232 633 R C 2.241 178.685 176.300 0.241 0.000 1.126 633 R CA 1.183 57.357 56.100 0.123 0.000 0.963 633 R CB -0.376 29.959 30.300 0.057 0.000 0.858 633 R HN 0.403 nan 8.270 nan 0.000 0.435 634 W N 1.608 122.982 121.300 0.124 0.000 2.335 634 W HA -0.143 4.517 4.660 0.000 0.000 0.311 634 W C 2.027 178.602 176.519 0.093 0.000 1.213 634 W CA 1.660 59.104 57.345 0.165 0.000 1.274 634 W CB -0.678 28.956 29.460 0.290 0.000 1.148 634 W HN 0.086 nan 8.180 nan 0.000 0.498 635 A N -1.089 121.957 122.820 0.378 0.000 2.119 635 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 635 A C 1.100 178.971 177.584 0.479 0.000 1.153 635 A CA 0.809 53.061 52.037 0.359 0.000 0.692 635 A CB -1.058 18.134 19.000 0.319 0.000 0.799 635 A HN 0.346 nan 8.150 nan 0.000 0.458 636 H N -0.443 118.711 119.070 0.141 0.000 2.820 636 H HA 0.354 4.910 4.556 -0.000 0.000 0.278 636 H C -1.627 173.614 175.328 -0.145 0.000 1.142 636 H CA -0.156 55.814 56.048 -0.130 0.000 1.346 636 H CB -0.267 29.210 29.762 -0.475 0.000 1.438 636 H HN 0.336 nan 8.280 nan 0.000 0.473 637 Y N 4.617 124.834 120.300 -0.138 0.000 2.331 637 Y HA 0.057 4.607 4.550 -0.000 0.000 0.338 637 Y C 1.432 177.221 175.900 -0.185 0.000 0.976 637 Y CA -0.793 57.269 58.100 -0.064 0.000 1.137 637 Y CB 0.988 39.451 38.460 0.005 0.000 1.172 637 Y HN 0.594 nan 8.280 nan 0.000 0.478 638 N N 2.291 121.002 118.700 0.018 0.000 2.061 638 N HA -0.233 4.507 4.740 -0.000 0.000 0.193 638 N C 1.949 177.480 175.510 0.036 0.000 1.030 638 N CA 1.638 54.683 53.050 -0.009 0.000 0.856 638 N CB -0.390 38.129 38.487 0.054 0.000 1.023 638 N HN 0.809 nan 8.380 nan 0.000 0.424 639 A N 0.879 123.764 122.820 0.108 0.000 1.986 639 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 639 A C 2.345 180.002 177.584 0.123 0.000 1.171 639 A CA 1.091 53.205 52.037 0.128 0.000 0.640 639 A CB -0.650 18.458 19.000 0.181 0.000 0.811 639 A HN 0.241 nan 8.150 nan 0.000 0.451 640 L N -0.807 120.459 121.223 0.071 0.000 2.049 640 L HA -0.071 4.269 4.340 -0.000 0.000 0.203 640 L C 2.497 179.435 176.870 0.114 0.000 1.074 640 L CA 0.927 55.786 54.840 0.031 0.000 0.749 640 L CB -0.502 41.560 42.059 0.004 0.000 0.907 640 L HN 0.341 nan 8.230 nan 0.000 0.439 641 I N -0.236 120.378 120.570 0.072 0.000 2.151 641 I HA -0.385 3.785 4.170 -0.000 0.000 0.243 641 I C 2.786 178.932 176.117 0.049 0.000 1.080 641 I CA 1.477 62.820 61.300 0.072 0.000 1.339 641 I CB -0.532 37.443 38.000 -0.042 0.000 1.039 641 I HN 0.311 nan 8.210 nan 0.000 0.409 642 R N 0.622 121.132 120.500 0.016 0.000 2.154 642 R HA -0.212 4.128 4.340 -0.000 0.000 0.248 642 R C 2.140 178.415 176.300 -0.042 0.000 1.155 642 R CA 1.831 57.931 56.100 -0.001 0.000 0.979 642 R CB -0.155 30.149 30.300 0.007 0.000 0.869 642 R HN 0.446 nan 8.270 nan 0.000 0.452 643 A N -1.318 121.441 122.820 -0.103 0.000 2.147 643 A HA 0.069 4.389 4.320 -0.000 0.000 0.211 643 A C 0.882 178.162 177.584 -0.507 0.000 1.160 643 A CA 0.343 52.190 52.037 -0.317 0.000 0.781 643 A CB 0.309 19.088 19.000 -0.369 0.000 0.842 643 A HN 0.268 nan 8.150 nan 0.000 0.475 644 F N -0.941 119.044 119.950 0.057 0.000 2.724 644 F HA 0.309 4.836 4.527 -0.000 0.000 0.310 644 F C 0.030 175.836 175.800 0.010 0.000 1.107 644 F CA -0.513 57.507 58.000 0.032 0.000 1.218 644 F CB 0.914 39.924 39.000 0.017 0.000 1.042 644 F HN -0.149 nan 8.300 nan 0.000 0.540 645 V N 2.788 122.771 119.914 0.115 0.000 2.328 645 V HA 0.343 4.463 4.120 -0.000 0.000 0.278 645 V C -2.202 173.895 176.094 0.005 0.000 1.021 645 V CA -2.032 60.303 62.300 0.058 0.000 0.838 645 V CB 1.103 32.957 31.823 0.053 0.000 0.999 645 V HN -0.098 nan 8.190 nan 0.000 0.447 646 P HA 0.250 nan 4.420 nan 0.000 0.266 646 P C -0.391 176.879 177.300 -0.050 0.000 1.215 646 P CA 0.088 63.156 63.100 -0.054 0.000 0.763 646 P CB 0.678 32.318 31.700 -0.101 0.000 0.806 647 E N 1.699 121.875 120.200 -0.041 0.000 2.222 647 E HA 0.642 4.992 4.350 -0.000 0.000 0.267 647 E C -0.158 176.421 176.600 -0.034 0.000 0.963 647 E CA -0.797 55.581 56.400 -0.038 0.000 0.837 647 E CB 1.079 30.762 29.700 -0.030 0.000 1.183 647 E HN 0.412 nan 8.360 nan 0.000 0.403 648 A N 0.809 123.606 122.820 -0.039 0.000 2.296 648 A HA 0.290 4.610 4.320 -0.000 0.000 0.264 648 A C 0.775 178.369 177.584 0.017 0.000 1.097 648 A CA -0.036 51.990 52.037 -0.018 0.000 0.811 648 A CB 0.325 19.285 19.000 -0.066 0.000 1.072 648 A HN 0.707 nan 8.150 nan 0.000 0.495 649 T N 0.515 115.128 114.554 0.098 0.000 3.054 649 T HA 0.068 4.418 4.350 -0.000 0.000 0.259 649 T C 0.628 175.426 174.700 0.164 0.000 1.092 649 T CA 1.491 63.656 62.100 0.108 0.000 1.121 649 T CB -0.353 68.575 68.868 0.101 0.000 0.912 649 T HN 0.859 nan 8.240 nan 0.000 0.489 650 H N 0.382 119.444 119.070 -0.013 0.000 2.771 650 H HA 0.508 5.064 4.556 -0.000 0.000 0.367 650 H C -0.560 174.761 175.328 -0.011 0.000 1.172 650 H CA -1.311 54.730 56.048 -0.011 0.000 1.186 650 H CB 0.743 30.499 29.762 -0.009 0.000 1.790 650 H HN 0.044 nan 8.280 nan 0.000 0.556 651 Q N 0.778 120.530 119.800 -0.080 0.000 2.337 651 Q HA 0.213 4.553 4.340 -0.000 0.000 0.270 651 Q C -0.871 174.983 176.000 -0.242 0.000 1.002 651 Q CA -0.277 55.446 55.803 -0.133 0.000 0.888 651 Q CB 0.410 29.120 28.738 -0.047 0.000 1.222 651 Q HN 0.561 nan 8.270 nan 0.000 0.400 652 c N 3.876 122.354 118.600 -0.203 0.000 2.347 652 c HA 0.291 4.861 4.570 -0.000 0.000 0.353 652 c C 0.559 174.593 174.090 -0.093 0.000 1.273 652 c CA -0.584 55.634 56.329 -0.185 0.000 1.861 652 c CB 0.002 42.419 42.510 -0.154 0.000 2.420 652 c HN 0.933 nan 8.230 nan 0.000 0.542 653 S N 3.463 119.122 115.700 -0.068 0.000 2.569 653 S HA 0.539 5.009 4.470 -0.000 0.000 0.274 653 S C 0.396 174.983 174.600 -0.022 0.000 1.353 653 S CA 0.376 58.557 58.200 -0.032 0.000 1.023 653 S CB 0.280 63.471 63.200 -0.015 0.000 0.876 653 S HN 2.186 nan 8.310 nan 0.000 0.540 654 G N 1.261 110.056 108.800 -0.009 0.000 2.756 654 G HA2 0.026 3.986 3.960 -0.000 0.000 0.678 654 G HA3 0.026 3.986 3.960 -0.000 0.000 0.678 654 G C -3.249 171.657 174.900 0.009 0.000 1.349 654 G CA -0.697 44.407 45.100 0.008 0.000 0.847 654 G HN 0.869 nan 8.290 nan 0.000 0.548 655 P HA 0.473 nan 4.420 nan 0.000 0.287 655 P C 0.265 177.567 177.300 0.003 0.000 1.294 655 P CA -0.012 63.077 63.100 -0.018 0.000 0.776 655 P CB 1.227 32.892 31.700 -0.059 0.000 0.889 656 S N 2.171 117.855 115.700 -0.026 0.000 2.525 656 S HA 0.043 4.513 4.470 -0.000 0.000 0.285 656 S C -0.092 174.489 174.600 -0.031 0.000 1.283 656 S CA -0.252 57.948 58.200 -0.001 0.000 1.072 656 S CB -0.353 62.833 63.200 -0.023 0.000 0.867 656 S HN 0.377 nan 8.310 nan 0.000 0.492 657 H N 2.642 121.686 119.070 -0.044 0.000 2.914 657 H HA 0.331 4.887 4.556 -0.000 0.000 0.264 657 H C 0.186 175.489 175.328 -0.043 0.000 1.433 657 H CA -0.178 55.843 56.048 -0.045 0.000 1.342 657 H CB -0.003 29.725 29.762 -0.058 0.000 1.582 657 H HN 0.618 nan 8.280 nan 0.000 0.525 658 N N 2.618 121.324 118.700 0.010 0.000 2.420 658 N HA 0.260 5.000 4.740 -0.000 0.000 0.249 658 N C -0.914 174.603 175.510 0.012 0.000 1.033 658 N CA -0.211 52.844 53.050 0.009 0.000 0.944 658 N CB 0.623 39.104 38.487 -0.009 0.000 1.113 658 N HN 0.548 nan 8.380 nan 0.000 0.502 659 A N 3.533 126.365 122.820 0.020 0.000 2.304 659 A HA 0.320 4.640 4.320 -0.000 0.000 0.323 659 A C 0.112 177.711 177.584 0.025 0.000 1.195 659 A CA -0.669 51.378 52.037 0.017 0.000 0.826 659 A CB 0.687 19.688 19.000 0.003 0.000 1.184 659 A HN 0.688 nan 8.150 nan 0.000 0.496 660 E N 3.552 123.769 120.200 0.029 0.000 2.299 660 E HA 0.193 4.543 4.350 -0.000 0.000 0.272 660 E C -2.108 174.534 176.600 0.069 0.000 1.043 660 E CA -1.598 54.830 56.400 0.046 0.000 0.895 660 E CB 0.586 30.299 29.700 0.022 0.000 1.011 660 E HN 0.449 nan 8.360 nan 0.000 0.432 661 P HA -0.039 nan 4.420 nan 0.000 0.263 661 P C 0.109 177.538 177.300 0.214 0.000 1.195 661 P CA -0.067 63.123 63.100 0.149 0.000 0.762 661 P CB 0.811 32.634 31.700 0.206 0.000 0.799 662 R N 2.695 123.255 120.500 0.100 0.000 2.062 662 R HA 0.224 4.564 4.340 -0.000 0.000 0.226 662 R C 0.958 177.311 176.300 0.089 0.000 1.125 662 R CA 0.915 57.074 56.100 0.098 0.000 0.966 662 R CB -0.473 29.787 30.300 -0.067 0.000 0.861 662 R HN 0.527 nan 8.270 nan 0.000 0.433 663 I N 0.933 121.519 120.570 0.027 0.000 2.545 663 I HA 0.286 4.456 4.170 -0.000 0.000 0.292 663 I C -1.179 174.939 176.117 0.002 0.000 1.040 663 I CA -1.311 59.952 61.300 -0.062 0.000 1.068 663 I CB 2.398 40.366 38.000 -0.054 0.000 1.251 663 I HN -0.151 nan 8.210 nan 0.000 0.424 664 L N 7.628 128.824 121.223 -0.044 0.000 2.319 664 L HA 0.573 4.913 4.340 -0.000 0.000 0.281 664 L C -1.058 175.805 176.870 -0.010 0.000 1.005 664 L CA -0.368 54.493 54.840 0.036 0.000 0.828 664 L CB 1.647 43.774 42.059 0.113 0.000 1.227 664 L HN 0.347 nan 8.230 nan 0.000 0.415 665 V N 7.425 127.371 119.914 0.053 0.000 2.284 665 V HA 0.402 4.522 4.120 -0.000 0.000 0.274 665 V C -2.108 174.032 176.094 0.077 0.000 1.023 665 V CA -1.173 61.154 62.300 0.046 0.000 0.808 665 V CB 1.227 33.112 31.823 0.103 0.000 1.035 665 V HN 0.693 nan 8.190 nan 0.000 0.445 666 P HA 0.239 nan 4.420 nan 0.000 0.237 666 P C 0.930 178.242 177.300 0.020 0.000 1.788 666 P CA 0.093 63.180 63.100 -0.021 0.000 1.061 666 P CB 0.335 31.890 31.700 -0.242 0.000 1.967 667 I N 1.042 121.683 120.570 0.118 0.000 2.493 667 I HA -0.072 4.098 4.170 -0.000 0.000 0.254 667 I C 0.683 176.889 176.117 0.147 0.000 1.160 667 I CA 1.254 62.650 61.300 0.161 0.000 1.445 667 I CB 0.349 38.540 38.000 0.319 0.000 1.086 667 I HN 0.209 nan 8.210 nan 0.000 0.433 668 T N -3.740 110.901 114.554 0.145 0.000 2.864 668 T HA 0.213 4.563 4.350 -0.000 0.000 0.299 668 T C 0.796 175.598 174.700 0.170 0.000 1.166 668 T CA -0.041 62.161 62.100 0.171 0.000 1.007 668 T CB 1.069 70.047 68.868 0.184 0.000 1.219 668 T HN 0.430 nan 8.240 nan 0.000 0.506 669 H N 1.716 120.846 119.070 0.099 0.000 2.387 669 H HA 0.032 4.588 4.556 -0.000 0.000 0.299 669 H C 1.763 177.155 175.328 0.106 0.000 1.090 669 H CA 1.759 57.882 56.048 0.125 0.000 1.332 669 H CB -0.162 29.665 29.762 0.108 0.000 1.386 669 H HN 0.450 nan 8.280 nan 0.000 0.516 670 N N 0.937 119.285 118.700 -0.587 0.000 2.188 670 N HA 0.067 4.807 4.740 -0.000 0.000 0.184 670 N C 0.277 175.666 175.510 -0.202 0.000 1.018 670 N CA 1.193 53.983 53.050 -0.434 0.000 0.858 670 N CB 0.114 38.389 38.487 -0.354 0.000 0.989 670 N HN 0.584 nan 8.380 nan 0.000 0.426 671 A N -1.098 121.640 122.820 -0.137 0.000 2.479 671 A HA 0.780 5.100 4.320 -0.000 0.000 0.296 671 A C -0.758 176.737 177.584 -0.148 0.000 1.121 671 A CA -0.432 51.457 52.037 -0.247 0.000 0.743 671 A CB 1.613 20.351 19.000 -0.437 0.000 1.323 671 A HN 0.022 nan 8.150 nan 0.000 0.415 672 S N -0.753 114.798 115.700 -0.249 0.000 2.546 672 S HA 0.637 5.107 4.470 -0.000 0.000 0.274 672 S C -1.627 172.896 174.600 -0.128 0.000 1.121 672 S CA -0.295 57.857 58.200 -0.081 0.000 0.887 672 S CB 0.939 64.147 63.200 0.014 0.000 1.094 672 S HN 0.486 nan 8.310 nan 0.000 0.474 673 Y N 0.678 121.052 120.300 0.123 0.000 2.320 673 Y HA 0.640 5.190 4.550 -0.000 0.000 0.324 673 Y C 0.176 176.130 175.900 0.090 0.000 1.190 673 Y CA -0.433 57.759 58.100 0.153 0.000 1.215 673 Y CB 1.117 39.668 38.460 0.152 0.000 1.221 673 Y HN 0.364 nan 8.280 nan 0.000 0.486 674 V N 3.646 123.716 119.914 0.260 0.000 2.709 674 V HA 0.485 4.605 4.120 -0.000 0.000 0.308 674 V C -1.202 174.987 176.094 0.157 0.000 1.062 674 V CA -0.903 61.496 62.300 0.166 0.000 0.901 674 V CB 2.303 34.197 31.823 0.119 0.000 1.003 674 V HN 0.480 nan 8.190 nan 0.000 0.425 675 V N 5.187 125.161 119.914 0.100 0.000 2.370 675 V HA 0.741 4.861 4.120 -0.000 0.000 0.283 675 V C 0.259 176.359 176.094 0.010 0.000 1.023 675 V CA -0.036 62.303 62.300 0.065 0.000 0.857 675 V CB 1.648 33.487 31.823 0.027 0.000 0.985 675 V HN 1.078 nan 8.190 nan 0.000 0.443 676 T N 0.245 114.810 114.554 0.018 0.000 2.804 676 T HA 0.449 4.799 4.350 -0.000 0.000 0.290 676 T C 0.170 174.846 174.700 -0.041 0.000 1.099 676 T CA -0.640 61.403 62.100 -0.096 0.000 1.011 676 T CB 1.839 70.689 68.868 -0.030 0.000 1.291 676 T HN 0.499 nan 8.240 nan 0.000 0.523 677 H N 0.234 119.390 119.070 0.144 0.000 2.529 677 H HA 0.387 4.943 4.556 -0.000 0.000 0.277 677 H C -0.017 175.356 175.328 0.075 0.000 1.004 677 H CA 0.123 56.287 56.048 0.193 0.000 1.167 677 H CB -0.079 29.759 29.762 0.128 0.000 1.445 677 H HN 0.734 nan 8.280 nan 0.000 0.554 678 T N 1.171 115.634 114.554 -0.150 0.000 2.982 678 T HA 0.240 4.590 4.350 -0.000 0.000 0.321 678 T C -2.963 171.210 174.700 -0.879 0.000 1.229 678 T CA -1.514 60.240 62.100 -0.576 0.000 1.044 678 T CB 3.059 71.802 68.868 -0.208 0.000 1.184 678 T HN -0.131 nan 8.240 nan 0.000 0.477 679 P HA 0.147 nan 4.420 nan 0.000 0.266 679 P C -0.510 176.612 177.300 -0.297 0.000 1.193 679 P CA -0.226 62.492 63.100 -0.637 0.000 0.770 679 P CB 0.683 32.125 31.700 -0.430 0.000 0.836 680 L N 4.240 125.374 121.223 -0.149 0.000 2.400 680 L HA 0.332 4.672 4.340 -0.000 0.000 0.264 680 L C -1.035 175.778 176.870 -0.095 0.000 1.061 680 L CA -1.926 52.863 54.840 -0.084 0.000 0.799 680 L CB 0.638 42.679 42.059 -0.030 0.000 1.240 680 L HN 0.227 nan 8.230 nan 0.000 0.461 681 P HA 0.060 nan 4.420 nan 0.000 0.239 681 P C -0.572 176.680 177.300 -0.080 0.000 1.188 681 P CA 0.472 63.518 63.100 -0.089 0.000 0.794 681 P CB 0.325 32.000 31.700 -0.043 0.000 0.937 682 R N -1.441 119.021 120.500 -0.063 0.000 2.888 682 R HA 0.718 5.058 4.340 -0.000 0.000 0.266 682 R C -0.454 175.820 176.300 -0.043 0.000 1.020 682 R CA -0.613 55.446 56.100 -0.068 0.000 0.963 682 R CB 0.877 31.138 30.300 -0.064 0.000 1.197 682 R HN -0.024 nan 8.270 nan 0.000 0.481 683 G N 0.948 109.728 108.800 -0.033 0.000 2.690 683 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.686 683 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.686 683 G C -0.455 174.498 174.900 0.089 0.000 1.277 683 G CA -0.574 44.542 45.100 0.026 0.000 0.799 683 G HN 0.545 nan 8.290 nan 0.000 0.613 684 I N 1.318 122.009 120.570 0.202 0.000 2.664 684 I HA 0.372 4.542 4.170 -0.000 0.000 0.284 684 I C 1.340 177.524 176.117 0.112 0.000 1.154 684 I CA 1.131 62.537 61.300 0.176 0.000 1.402 684 I CB -0.215 37.936 38.000 0.253 0.000 1.395 684 I HN 0.879 nan 8.210 nan 0.000 0.545 685 G N 6.806 115.586 108.800 -0.034 0.000 2.478 685 G HA2 0.569 4.529 3.960 -0.000 0.000 0.317 685 G HA3 0.569 4.529 3.960 -0.000 0.000 0.317 685 G C -1.361 173.478 174.900 -0.103 0.000 1.259 685 G CA -0.331 44.794 45.100 0.042 0.000 0.933 685 G HN 0.439 nan 8.290 nan 0.000 0.478 686 Y N 0.597 121.006 120.300 0.181 0.000 2.409 686 Y HA 0.517 5.067 4.550 -0.000 0.000 0.339 686 Y C 0.449 176.372 175.900 0.038 0.000 1.033 686 Y CA -0.864 57.297 58.100 0.102 0.000 1.094 686 Y CB 2.752 41.257 38.460 0.075 0.000 1.210 686 Y HN 0.488 nan 8.280 nan 0.000 0.456 687 K N 4.039 124.477 120.400 0.064 0.000 2.339 687 K HA 0.495 4.815 4.320 -0.000 0.000 0.264 687 K C -1.409 175.046 176.600 -0.242 0.000 0.986 687 K CA -0.399 55.722 56.287 -0.276 0.000 0.866 687 K CB 0.486 32.791 32.500 -0.325 0.000 1.103 687 K HN 0.698 nan 8.250 nan 0.000 0.441 688 L N 3.942 124.956 121.223 -0.348 0.000 2.490 688 L HA 0.143 4.483 4.340 -0.000 0.000 0.274 688 L C 0.514 177.268 176.870 -0.195 0.000 1.201 688 L CA -0.161 54.483 54.840 -0.327 0.000 0.869 688 L CB 0.408 42.054 42.059 -0.688 0.000 1.123 688 L HN 0.777 nan 8.230 nan 0.000 0.484 689 T N -1.528 112.997 114.554 -0.049 0.000 2.859 689 T HA 0.589 4.939 4.350 -0.000 0.000 0.281 689 T C 0.743 175.485 174.700 0.069 0.000 1.005 689 T CA -0.081 62.020 62.100 0.001 0.000 1.025 689 T CB 1.759 70.635 68.868 0.013 0.000 0.977 689 T HN 0.991 nan 8.240 nan 0.000 0.458 690 G N 0.882 109.707 108.800 0.042 0.000 2.171 690 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.238 690 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.238 690 G C -0.257 174.688 174.900 0.075 0.000 1.039 690 G CA -0.164 44.966 45.100 0.049 0.000 0.759 690 G HN 1.131 nan 8.290 nan 0.000 0.501 691 V N 0.156 120.102 119.914 0.053 0.000 2.540 691 V HA 0.471 4.591 4.120 -0.000 0.000 0.302 691 V C 0.414 176.521 176.094 0.022 0.000 1.035 691 V CA -0.743 61.591 62.300 0.056 0.000 0.873 691 V CB 1.867 33.706 31.823 0.028 0.000 0.992 691 V HN 0.451 nan 8.190 nan 0.000 0.428 692 D N 3.108 123.524 120.400 0.026 0.000 2.793 692 D HA -0.110 4.530 4.640 -0.000 0.000 0.230 692 D C 1.046 177.354 176.300 0.014 0.000 1.139 692 D CA 0.870 54.880 54.000 0.016 0.000 0.838 692 D CB 1.188 41.996 40.800 0.013 0.000 1.149 692 D HN 0.377 nan 8.370 nan 0.000 0.526 693 V N 5.095 125.017 119.914 0.014 0.000 2.546 693 V HA -0.275 3.845 4.120 -0.000 0.000 0.254 693 V C 2.047 178.156 176.094 0.025 0.000 1.076 693 V CA 2.061 64.374 62.300 0.021 0.000 1.087 693 V CB -0.263 31.572 31.823 0.021 0.000 0.674 693 V HN 0.615 nan 8.190 nan 0.000 0.470 694 R N 0.183 120.692 120.500 0.014 0.000 2.153 694 R HA 0.112 4.452 4.340 -0.000 0.000 0.218 694 R C 0.844 177.137 176.300 -0.011 0.000 1.072 694 R CA 0.805 56.908 56.100 0.005 0.000 0.990 694 R CB -0.042 30.257 30.300 -0.001 0.000 0.889 694 R HN 0.492 nan 8.270 nan 0.000 0.452 695 R N 0.668 121.161 120.500 -0.011 0.000 2.681 695 R HA 0.296 4.636 4.340 -0.000 0.000 0.277 695 R C -2.750 173.559 176.300 0.016 0.000 1.563 695 R CA -1.625 54.445 56.100 -0.050 0.000 1.673 695 R CB 0.947 31.211 30.300 -0.060 0.000 1.258 695 R HN -0.003 nan 8.270 nan 0.000 0.650 696 P HA 0.161 nan 4.420 nan 0.000 0.274 696 P C -0.383 177.036 177.300 0.198 0.000 1.237 696 P CA -0.263 62.898 63.100 0.103 0.000 0.793 696 P CB 0.943 32.751 31.700 0.180 0.000 0.977 697 L N 1.980 123.192 121.223 -0.019 0.000 2.346 697 L HA 0.533 4.873 4.340 -0.000 0.000 0.276 697 L C -0.567 176.163 176.870 -0.234 0.000 1.006 697 L CA -0.537 54.298 54.840 -0.008 0.000 0.817 697 L CB 0.930 42.900 42.059 -0.149 0.000 1.272 697 L HN 0.305 nan 8.230 nan 0.000 0.421 698 F N 3.244 123.193 119.950 -0.002 0.000 2.551 698 F HA 0.576 5.103 4.527 -0.000 0.000 0.316 698 F C -0.060 175.762 175.800 0.035 0.000 1.089 698 F CA -0.647 57.365 58.000 0.021 0.000 0.915 698 F CB 2.081 41.107 39.000 0.044 0.000 1.186 698 F HN 0.138 nan 8.300 nan 0.000 0.456 699 I N 2.347 123.068 120.570 0.252 0.000 2.389 699 I HA 0.384 4.554 4.170 -0.000 0.000 0.288 699 I C -0.755 175.612 176.117 0.417 0.000 0.999 699 I CA -0.338 61.120 61.300 0.262 0.000 1.129 699 I CB 1.964 40.043 38.000 0.132 0.000 1.288 699 I HN 0.521 nan 8.210 nan 0.000 0.444 700 T N 4.834 119.615 114.554 0.379 0.000 2.829 700 T HA 0.316 4.666 4.350 -0.000 0.000 0.280 700 T C -1.047 173.858 174.700 0.342 0.000 0.999 700 T CA -0.410 61.894 62.100 0.341 0.000 0.983 700 T CB 1.378 70.360 68.868 0.191 0.000 0.968 700 T HN 0.315 nan 8.240 nan 0.000 0.446 701 Y N 4.102 124.477 120.300 0.126 0.000 2.504 701 Y HA 0.576 5.126 4.550 -0.000 0.000 0.339 701 Y C -1.008 174.845 175.900 -0.079 0.000 0.974 701 Y CA -1.128 56.886 58.100 -0.142 0.000 1.232 701 Y CB 0.101 38.458 38.460 -0.172 0.000 1.108 701 Y HN 0.497 nan 8.280 nan 0.000 0.509 702 L N 6.255 127.232 121.223 -0.411 0.000 2.307 702 L HA 0.634 4.974 4.340 -0.000 0.000 0.282 702 L C 0.264 176.850 176.870 -0.473 0.000 1.051 702 L CA -0.504 54.149 54.840 -0.312 0.000 0.804 702 L CB 1.677 43.645 42.059 -0.152 0.000 1.197 702 L HN 0.743 nan 8.230 nan 0.000 0.431 703 T N -0.442 113.930 114.554 -0.304 0.000 2.816 703 T HA 0.598 4.948 4.350 -0.000 0.000 0.299 703 T C -0.448 174.178 174.700 -0.123 0.000 1.230 703 T CA -0.675 61.278 62.100 -0.245 0.000 1.007 703 T CB 1.626 70.358 68.868 -0.227 0.000 1.289 703 T HN 0.582 nan 8.240 nan 0.000 0.508 704 A N 1.629 124.398 122.820 -0.085 0.000 2.899 704 A HA 0.565 4.885 4.320 -0.000 0.000 0.287 704 A C 0.535 178.113 177.584 -0.011 0.000 1.715 704 A CA 0.135 52.146 52.037 -0.043 0.000 1.393 704 A CB -1.578 17.406 19.000 -0.028 0.000 1.070 704 A HN 1.081 nan 8.150 nan 0.000 0.587 705 T N 0.122 114.665 114.554 -0.019 0.000 2.830 705 T HA 0.255 4.605 4.350 -0.000 0.000 0.322 705 T C 0.280 174.963 174.700 -0.029 0.000 1.501 705 T CA -0.094 62.011 62.100 0.008 0.000 1.036 705 T CB 0.743 69.626 68.868 0.025 0.000 1.379 705 T HN 0.424 nan 8.240 nan 0.000 0.493 706 c N 1.574 120.157 118.600 -0.029 0.000 2.799 706 c HA 0.354 4.924 4.570 -0.000 0.000 0.267 706 c C 1.011 175.060 174.090 -0.070 0.000 1.257 706 c CA -0.323 55.961 56.329 -0.075 0.000 1.702 706 c CB -1.065 41.375 42.510 -0.118 0.000 1.934 706 c HN 0.695 nan 8.230 nan 0.000 0.594 707 E N 0.808 120.974 120.200 -0.055 0.000 2.366 707 E HA 0.463 4.813 4.350 -0.000 0.000 0.266 707 E C 0.208 176.681 176.600 -0.211 0.000 1.051 707 E CA 0.041 56.363 56.400 -0.130 0.000 0.884 707 E CB 0.928 30.588 29.700 -0.066 0.000 1.006 707 E HN 0.525 nan 8.360 nan 0.000 0.417 708 G N 1.535 110.099 108.800 -0.393 0.000 2.620 708 G HA2 0.521 4.481 3.960 -0.000 0.000 0.301 708 G HA3 0.521 4.481 3.960 -0.000 0.000 0.301 708 G C -1.640 172.867 174.900 -0.656 0.000 1.347 708 G CA -0.508 44.376 45.100 -0.361 0.000 0.971 708 G HN 0.514 nan 8.290 nan 0.000 0.488 709 H N -0.373 118.681 119.070 -0.026 0.000 2.865 709 H HA 0.648 5.204 4.556 -0.000 0.000 0.362 709 H C 0.174 175.452 175.328 -0.083 0.000 1.114 709 H CA -0.293 55.728 56.048 -0.044 0.000 1.208 709 H CB 2.008 31.745 29.762 -0.041 0.000 1.727 709 H HN 0.804 nan 8.280 nan 0.000 0.534 710 A N 3.162 125.999 122.820 0.028 0.000 2.340 710 A HA 0.709 5.029 4.320 -0.000 0.000 0.268 710 A C -0.140 177.391 177.584 -0.088 0.000 1.100 710 A CA -0.522 51.495 52.037 -0.033 0.000 0.803 710 A CB 0.425 19.427 19.000 0.004 0.000 1.043 710 A HN 0.644 nan 8.150 nan 0.000 0.488 711 R N 1.174 121.548 120.500 -0.210 0.000 2.668 711 R HA 0.333 4.672 4.340 -0.000 0.000 0.272 711 R C -1.137 175.143 176.300 -0.033 0.000 1.019 711 R CA -0.624 55.362 56.100 -0.190 0.000 0.894 711 R CB 1.757 31.812 30.300 -0.409 0.000 1.228 711 R HN 0.898 nan 8.270 nan 0.000 0.460 712 E N 1.846 122.092 120.200 0.077 0.000 2.343 712 E HA 0.311 4.661 4.350 -0.000 0.000 0.269 712 E C -0.068 176.685 176.600 0.255 0.000 1.047 712 E CA -0.416 56.069 56.400 0.142 0.000 0.874 712 E CB 1.219 30.976 29.700 0.095 0.000 1.033 712 E HN 0.320 nan 8.360 nan 0.000 0.409 713 I N 3.012 123.722 120.570 0.234 0.000 2.291 713 I HA 0.097 4.267 4.170 -0.000 0.000 0.292 713 I C 0.158 176.373 176.117 0.164 0.000 1.064 713 I CA -0.170 61.247 61.300 0.196 0.000 1.269 713 I CB 0.420 38.482 38.000 0.103 0.000 1.418 713 I HN 0.392 nan 8.210 nan 0.000 0.485 714 E N 8.381 128.670 120.200 0.148 0.000 2.354 714 E HA 0.255 4.605 4.350 -0.000 0.000 0.269 714 E C -2.352 174.318 176.600 0.117 0.000 1.036 714 E CA -1.301 55.169 56.400 0.117 0.000 0.876 714 E CB 0.790 30.543 29.700 0.087 0.000 1.009 714 E HN 0.296 nan 8.360 nan 0.000 0.416 715 P HA 0.248 nan 4.420 nan 0.000 0.282 715 P C -1.115 176.174 177.300 -0.018 0.000 1.249 715 P CA -0.329 62.751 63.100 -0.033 0.000 0.806 715 P CB 0.877 32.492 31.700 -0.141 0.000 0.984 716 K N 2.205 122.593 120.400 -0.021 0.000 2.532 716 K HA 0.492 4.812 4.320 -0.000 0.000 0.265 716 K C -0.472 176.142 176.600 0.023 0.000 0.948 716 K CA -0.741 55.558 56.287 0.019 0.000 0.842 716 K CB 3.061 35.603 32.500 0.070 0.000 1.392 716 K HN 0.427 nan 8.250 nan 0.000 0.436 717 R N 1.203 121.720 120.500 0.028 0.000 2.854 717 R HA 0.543 4.883 4.340 -0.000 0.000 0.271 717 R C -0.315 176.016 176.300 0.052 0.000 0.996 717 R CA -1.054 55.068 56.100 0.037 0.000 0.961 717 R CB 1.131 31.436 30.300 0.008 0.000 1.182 717 R HN 0.273 nan 8.270 nan 0.000 0.479 718 L N 1.184 122.443 121.223 0.060 0.000 2.397 718 L HA 0.643 4.983 4.340 -0.000 0.000 0.266 718 L C 1.262 178.153 176.870 0.035 0.000 1.040 718 L CA -0.358 54.517 54.840 0.058 0.000 0.800 718 L CB -0.298 41.806 42.059 0.075 0.000 1.324 718 L HN 0.740 nan 8.230 nan 0.000 0.469 726 D N 1.054 121.466 120.400 0.020 0.000 2.347 726 D HA 0.172 4.812 4.640 -0.000 0.000 0.235 726 D C 0.479 176.800 176.300 0.034 0.000 1.149 726 D CA -0.208 53.807 54.000 0.026 0.000 0.850 726 D CB 1.400 42.216 40.800 0.027 0.000 1.061 726 D HN 0.192 nan 8.370 nan 0.000 0.487 727 L N 3.134 124.383 121.223 0.043 0.000 2.567 727 L HA 0.348 4.688 4.340 -0.000 0.000 0.225 727 L C 1.907 178.832 176.870 0.093 0.000 1.119 727 L CA 0.451 55.326 54.840 0.059 0.000 0.871 727 L CB -0.333 41.762 42.059 0.061 0.000 1.036 727 L HN 0.753 nan 8.230 nan 0.000 0.459 728 G N -0.436 108.420 108.800 0.092 0.000 2.149 728 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.235 728 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.235 728 G C 0.815 175.832 174.900 0.195 0.000 1.018 728 G CA 0.437 45.613 45.100 0.126 0.000 0.728 728 G HN 0.326 nan 8.290 nan 0.000 0.508 729 L N -0.294 121.006 121.223 0.129 0.000 2.307 729 L HA 0.118 4.458 4.340 -0.000 0.000 0.211 729 L C 1.749 178.640 176.870 0.035 0.000 1.099 729 L CA 0.235 55.117 54.840 0.069 0.000 0.816 729 L CB -0.253 41.805 42.059 -0.002 0.000 0.952 729 L HN 0.197 nan 8.230 nan 0.000 0.455 730 V N 1.149 121.096 119.914 0.055 0.000 2.752 730 V HA 0.069 4.189 4.120 -0.000 0.000 0.306 730 V C 1.475 177.613 176.094 0.073 0.000 1.099 730 V CA 1.274 63.609 62.300 0.059 0.000 1.240 730 V CB -0.045 31.814 31.823 0.060 0.000 0.887 730 V HN 0.674 nan 8.190 nan 0.000 0.499 731 G N 2.573 111.415 108.800 0.069 0.000 2.253 731 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.251 731 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.251 731 G C 0.469 175.409 174.900 0.066 0.000 0.998 731 G CA 0.262 45.408 45.100 0.077 0.000 0.621 731 G HN 1.605 nan 8.290 nan 0.000 0.524 732 A N -0.654 122.176 122.820 0.015 0.000 2.280 732 A HA 0.771 5.091 4.320 -0.000 0.000 0.268 732 A C 0.124 177.677 177.584 -0.051 0.000 1.111 732 A CA 0.507 52.492 52.037 -0.087 0.000 0.814 732 A CB 1.230 20.018 19.000 -0.352 0.000 1.093 732 A HN 1.217 nan 8.150 nan 0.000 0.498 733 V N 0.342 120.195 119.914 -0.101 0.000 2.577 733 V HA 0.340 4.460 4.120 -0.000 0.000 0.303 733 V C -1.000 175.073 176.094 -0.035 0.000 1.042 733 V CA -0.250 62.034 62.300 -0.027 0.000 0.872 733 V CB 1.407 33.204 31.823 -0.045 0.000 0.998 733 V HN 0.757 nan 8.190 nan 0.000 0.423 734 F N 6.561 126.481 119.950 -0.051 0.000 2.411 734 F HA 0.619 5.146 4.527 -0.000 0.000 0.355 734 F C -0.511 175.275 175.800 -0.023 0.000 1.117 734 F CA -0.353 57.630 58.000 -0.028 0.000 1.139 734 F CB 0.803 39.893 39.000 0.150 0.000 1.120 734 F HN 0.360 nan 8.300 nan 0.000 0.493 735 L N 8.297 129.297 121.223 -0.372 0.000 2.349 735 L HA 0.514 4.854 4.340 -0.000 0.000 0.278 735 L C -1.203 175.520 176.870 -0.245 0.000 0.996 735 L CA -0.641 54.089 54.840 -0.183 0.000 0.825 735 L CB 1.401 43.365 42.059 -0.160 0.000 1.243 735 L HN 0.797 nan 8.230 nan 0.000 0.412 736 R N 5.198 125.680 120.500 -0.029 0.000 2.338 736 R HA 0.575 4.915 4.340 -0.000 0.000 0.317 736 R C -1.675 174.681 176.300 0.093 0.000 0.968 736 R CA -0.438 55.662 56.100 -0.000 0.000 0.849 736 R CB 1.291 31.674 30.300 0.139 0.000 1.128 736 R HN 0.638 nan 8.270 nan 0.000 0.448 737 Y N 0.002 120.267 120.300 -0.058 0.000 2.553 737 Y HA 0.541 5.091 4.550 -0.000 0.000 0.347 737 Y C -0.705 175.168 175.900 -0.045 0.000 1.019 737 Y CA -1.083 56.991 58.100 -0.044 0.000 1.032 737 Y CB 1.447 39.876 38.460 -0.052 0.000 1.284 737 Y HN 0.584 nan 8.280 nan 0.000 0.466 738 T N -0.956 113.626 114.554 0.046 0.000 2.927 738 T HA 0.438 4.788 4.350 -0.000 0.000 0.281 738 T C -2.278 172.461 174.700 0.065 0.000 0.998 738 T CA -2.304 59.773 62.100 -0.039 0.000 1.019 738 T CB 1.685 70.533 68.868 -0.034 0.000 1.061 738 T HN 0.496 nan 8.240 nan 0.000 0.518 739 P HA 0.050 nan 4.420 nan 0.000 0.218 739 P C 1.565 178.894 177.300 0.049 0.000 1.149 739 P CA 1.144 64.272 63.100 0.047 0.000 0.817 739 P CB -0.320 31.382 31.700 0.003 0.000 0.785 740 A N -0.579 122.254 122.820 0.022 0.000 2.186 740 A HA 0.122 4.442 4.320 -0.000 0.000 0.219 740 A C 1.776 179.378 177.584 0.030 0.000 1.159 740 A CA 1.538 53.581 52.037 0.010 0.000 0.680 740 A CB -1.598 17.390 19.000 -0.020 0.000 0.787 740 A HN 0.296 nan 8.150 nan 0.000 0.467 741 G N -1.328 107.515 108.800 0.073 0.000 2.131 741 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.223 741 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.223 741 G C -0.080 174.887 174.900 0.112 0.000 0.990 741 G CA 0.350 45.507 45.100 0.095 0.000 0.671 741 G HN 0.782 nan 8.290 nan 0.000 0.521 742 E N 0.155 120.397 120.200 0.071 0.000 2.266 742 E HA 0.538 4.888 4.350 -0.000 0.000 0.277 742 E C -0.162 176.496 176.600 0.097 0.000 1.018 742 E CA -0.701 55.708 56.400 0.015 0.000 0.840 742 E CB 1.403 30.973 29.700 -0.216 0.000 1.082 742 E HN 0.083 nan 8.360 nan 0.000 0.395 743 V N 6.641 126.661 119.914 0.177 0.000 2.350 743 V HA 0.104 4.223 4.120 -0.000 0.000 0.276 743 V C 0.982 177.201 176.094 0.209 0.000 1.028 743 V CA -0.129 62.293 62.300 0.204 0.000 0.860 743 V CB 1.186 33.125 31.823 0.193 0.000 0.990 743 V HN 0.907 nan 8.190 nan 0.000 0.453 744 M N 2.495 122.176 119.600 0.136 0.000 2.325 744 M HA 0.107 4.587 4.480 -0.000 0.000 0.265 744 M C 0.539 176.932 176.300 0.155 0.000 1.094 744 M CA 0.802 56.172 55.300 0.118 0.000 1.161 744 M CB 0.388 33.029 32.600 0.068 0.000 1.358 744 M HN 0.746 nan 8.290 nan 0.000 0.446 745 S N -0.523 115.268 115.700 0.152 0.000 2.536 745 S HA 0.546 5.016 4.470 -0.000 0.000 0.271 745 S C -0.630 174.053 174.600 0.138 0.000 1.134 745 S CA -1.013 57.278 58.200 0.150 0.000 0.897 745 S CB 2.234 65.536 63.200 0.170 0.000 1.094 745 S HN -0.019 nan 8.310 nan 0.000 0.473 746 V N 2.777 122.746 119.914 0.092 0.000 2.271 746 V HA 0.344 4.464 4.120 -0.000 0.000 0.259 746 V C -0.549 175.587 176.094 0.069 0.000 1.030 746 V CA -0.425 61.909 62.300 0.057 0.000 0.957 746 V CB -0.230 31.587 31.823 -0.010 0.000 1.186 746 V HN 0.813 nan 8.190 nan 0.000 0.471 747 L N 2.973 124.293 121.223 0.162 0.000 2.305 747 L HA 0.463 4.803 4.340 -0.000 0.000 0.281 747 L C -0.077 176.914 176.870 0.202 0.000 1.085 747 L CA -0.536 54.407 54.840 0.173 0.000 0.813 747 L CB 1.363 43.453 42.059 0.052 0.000 1.157 747 L HN 0.381 nan 8.230 nan 0.000 0.436 748 L N 4.512 125.846 121.223 0.184 0.000 2.313 748 L HA 0.213 4.553 4.340 -0.000 0.000 0.282 748 L C -0.002 177.036 176.870 0.279 0.000 1.092 748 L CA 0.087 55.009 54.840 0.137 0.000 0.831 748 L CB 1.239 43.260 42.059 -0.063 0.000 1.159 748 L HN 0.293 nan 8.230 nan 0.000 0.442 749 V N 6.465 126.497 119.914 0.197 0.000 2.324 749 V HA 0.006 4.126 4.120 -0.000 0.000 0.244 749 V C 0.987 177.173 176.094 0.153 0.000 1.144 749 V CA 0.231 62.636 62.300 0.176 0.000 1.158 749 V CB -0.216 31.646 31.823 0.066 0.000 1.254 749 V HN 0.886 nan 8.190 nan 0.000 0.492 750 D N 3.166 123.698 120.400 0.220 0.000 2.085 750 D HA -0.047 4.593 4.640 -0.000 0.000 0.199 750 D C 1.308 177.683 176.300 0.124 0.000 0.981 750 D CA 1.662 55.786 54.000 0.207 0.000 0.834 750 D CB 0.339 41.344 40.800 0.341 0.000 0.992 750 D HN 0.627 nan 8.370 nan 0.000 0.457 751 T N -3.111 111.503 114.554 0.099 0.000 2.807 751 T HA 0.262 4.612 4.350 -0.000 0.000 0.277 751 T C 0.790 175.515 174.700 0.042 0.000 1.006 751 T CA -0.664 61.474 62.100 0.064 0.000 1.006 751 T CB 1.241 70.140 68.868 0.052 0.000 1.274 751 T HN -0.138 nan 8.240 nan 0.000 0.569 752 D N -0.121 120.297 120.400 0.030 0.000 2.149 752 D HA -0.052 4.588 4.640 -0.000 0.000 0.201 752 D C 2.282 178.584 176.300 0.004 0.000 0.972 752 D CA 1.258 55.268 54.000 0.017 0.000 0.835 752 D CB -0.233 40.578 40.800 0.017 0.000 0.966 752 D HN 0.671 nan 8.370 nan 0.000 0.476 753 A N 0.261 123.084 122.820 0.005 0.000 1.917 753 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 753 A C 2.303 179.878 177.584 -0.015 0.000 1.182 753 A CA 2.323 54.357 52.037 -0.004 0.000 0.633 753 A CB -0.937 18.062 19.000 -0.003 0.000 0.819 753 A HN 0.279 nan 8.150 nan 0.000 0.448 754 T N -0.601 113.951 114.554 -0.003 0.000 2.915 754 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 754 T C 1.935 176.574 174.700 -0.101 0.000 1.071 754 T CA 1.353 63.450 62.100 -0.004 0.000 1.132 754 T CB -0.172 68.741 68.868 0.074 0.000 0.878 754 T HN 0.694 nan 8.240 nan 0.000 0.479 755 Q N 0.257 120.018 119.800 -0.064 0.000 2.172 755 Q HA -0.119 4.221 4.340 -0.000 0.000 0.200 755 Q C 2.144 178.090 176.000 -0.090 0.000 0.964 755 Q CA 0.837 56.589 55.803 -0.085 0.000 0.855 755 Q CB 0.084 28.806 28.738 -0.027 0.000 0.918 755 Q HN 0.387 nan 8.270 nan 0.000 0.444 756 Q N 0.361 120.124 119.800 -0.061 0.000 2.096 756 Q HA -0.151 4.189 4.340 -0.000 0.000 0.197 756 Q C 1.757 177.722 176.000 -0.059 0.000 0.964 756 Q CA 1.094 56.871 55.803 -0.044 0.000 0.838 756 Q CB -0.381 28.343 28.738 -0.023 0.000 0.906 756 Q HN 0.498 nan 8.270 nan 0.000 0.444 757 Q N 0.153 119.906 119.800 -0.078 0.000 2.389 757 Q HA -0.126 4.214 4.340 -0.000 0.000 0.213 757 Q C 1.657 177.569 176.000 -0.148 0.000 0.989 757 Q CA 0.773 56.526 55.803 -0.083 0.000 0.891 757 Q CB 0.073 28.777 28.738 -0.057 0.000 0.923 757 Q HN 0.313 nan 8.270 nan 0.000 0.455 758 L N -1.606 119.478 121.223 -0.232 0.000 2.425 758 L HA 0.167 4.507 4.340 -0.000 0.000 0.215 758 L C 1.984 178.874 176.870 0.033 0.000 1.065 758 L CA 0.595 55.278 54.840 -0.262 0.000 0.842 758 L CB -0.040 41.697 42.059 -0.536 0.000 1.033 758 L HN 0.177 nan 8.230 nan 0.000 0.474 759 A N -0.635 122.182 122.820 -0.004 0.000 2.067 759 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 759 A C 1.993 179.601 177.584 0.041 0.000 1.156 759 A CA 0.896 52.953 52.037 0.033 0.000 0.683 759 A CB -0.153 18.852 19.000 0.008 0.000 0.808 759 A HN 0.455 nan 8.150 nan 0.000 0.455 760 Q N -1.087 118.731 119.800 0.031 0.000 2.123 760 Q HA 0.319 4.659 4.340 -0.000 0.000 0.199 760 Q C 1.125 177.108 176.000 -0.028 0.000 0.966 760 Q CA 0.663 56.467 55.803 0.003 0.000 0.845 760 Q CB -0.063 28.672 28.738 -0.005 0.000 0.907 760 Q HN 0.790 nan 8.270 nan 0.000 0.439 761 G N 0.355 109.147 108.800 -0.013 0.000 2.422 761 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.607 761 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.607 761 G C -2.963 171.707 174.900 -0.384 0.000 1.270 761 G CA -0.936 43.971 45.100 -0.323 0.000 0.992 761 G HN -0.007 nan 8.290 nan 0.000 0.499 762 P HA 0.468 nan 4.420 nan 0.000 0.234 762 P C 0.296 177.508 177.300 -0.146 0.000 1.799 762 P CA -0.497 62.422 63.100 -0.301 0.000 1.118 762 P CB 0.863 32.343 31.700 -0.367 0.000 1.827 763 V N 2.158 122.024 119.914 -0.080 0.000 2.720 763 V HA 0.078 4.198 4.120 -0.000 0.000 0.307 763 V C 1.207 177.275 176.094 -0.043 0.000 1.071 763 V CA -0.030 62.236 62.300 -0.056 0.000 1.199 763 V CB -0.516 31.287 31.823 -0.033 0.000 0.900 763 V HN 0.531 nan 8.190 nan 0.000 0.494 764 A N 4.322 127.116 122.820 -0.044 0.000 2.409 764 A HA 0.559 4.879 4.320 -0.000 0.000 0.267 764 A C 1.425 178.994 177.584 -0.024 0.000 1.127 764 A CA 0.347 52.364 52.037 -0.033 0.000 0.795 764 A CB -0.186 18.794 19.000 -0.034 0.000 1.061 764 A HN 2.264 nan 8.150 nan 0.000 0.502 765 G N 2.057 110.845 108.800 -0.019 0.000 2.143 765 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.249 765 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.249 765 G C 0.286 175.176 174.900 -0.017 0.000 0.981 765 G CA 0.555 45.645 45.100 -0.017 0.000 0.665 765 G HN 1.257 nan 8.290 nan 0.000 0.528 766 T N 1.972 116.518 114.554 -0.015 0.000 3.331 766 T HA 0.478 4.828 4.350 -0.000 0.000 0.381 766 T C -2.561 172.135 174.700 -0.005 0.000 1.656 766 T CA -0.895 61.198 62.100 -0.012 0.000 1.453 766 T CB 1.748 70.611 68.868 -0.009 0.000 1.066 766 T HN 0.066 nan 8.240 nan 0.000 0.655 767 P HA 0.142 nan 4.420 nan 0.000 0.258 767 P C 0.194 177.470 177.300 -0.039 0.000 1.563 767 P CA -0.274 62.813 63.100 -0.021 0.000 1.241 767 P CB -0.145 31.534 31.700 -0.035 0.000 1.811 768 N N 0.796 119.495 118.700 -0.002 0.000 2.288 768 N HA -0.001 4.739 4.740 -0.000 0.000 0.237 768 N C 1.371 176.801 175.510 -0.134 0.000 1.311 768 N CA -0.286 52.755 53.050 -0.015 0.000 0.909 768 N CB 0.409 38.994 38.487 0.162 0.000 1.167 768 N HN -0.060 nan 8.380 nan 0.000 0.476 769 V N 0.219 119.938 119.914 -0.324 0.000 3.573 769 V HA -0.021 4.099 4.120 -0.000 0.000 0.270 769 V C 0.852 176.613 176.094 -0.556 0.000 1.221 769 V CA 0.969 62.972 62.300 -0.496 0.000 1.163 769 V CB -0.998 30.367 31.823 -0.763 0.000 0.847 769 V HN 0.443 nan 8.190 nan 0.000 0.468 770 F N 0.495 120.270 119.950 -0.291 0.000 2.749 770 F HA 0.194 4.721 4.527 -0.000 0.000 0.300 770 F C 1.301 177.079 175.800 -0.037 0.000 1.103 770 F CA -0.085 57.615 58.000 -0.500 0.000 1.342 770 F CB 0.102 38.676 39.000 -0.710 0.000 1.098 770 F HN 0.162 nan 8.300 nan 0.000 0.586 771 S N -1.616 114.190 115.700 0.177 0.000 2.532 771 S HA 0.715 5.185 4.470 -0.000 0.000 0.301 771 S C -0.324 174.345 174.600 0.115 0.000 1.083 771 S CA -0.751 57.576 58.200 0.211 0.000 1.025 771 S CB 2.255 65.548 63.200 0.156 0.000 1.056 771 S HN -0.056 nan 8.310 nan 0.000 0.494 772 S N -0.516 115.254 115.700 0.116 0.000 2.599 772 S HA 0.498 4.968 4.470 -0.000 0.000 0.287 772 S C -0.731 173.893 174.600 0.041 0.000 1.105 772 S CA -0.645 57.593 58.200 0.064 0.000 0.899 772 S CB 1.407 64.645 63.200 0.063 0.000 1.100 772 S HN 0.702 nan 8.310 nan 0.000 0.482 773 D N 0.883 121.295 120.400 0.020 0.000 2.339 773 D HA 0.184 4.824 4.640 -0.000 0.000 0.217 773 D C -0.094 176.206 176.300 0.000 0.000 1.050 773 D CA 0.477 54.481 54.000 0.008 0.000 0.856 773 D CB 0.304 41.105 40.800 0.002 0.000 0.922 773 D HN 0.188 nan 8.370 nan 0.000 0.518 774 V N 2.409 122.324 119.914 0.000 0.000 2.407 774 V HA 0.234 4.354 4.120 -0.000 0.000 0.278 774 V C -2.180 173.901 176.094 -0.021 0.000 1.037 774 V CA -2.015 60.276 62.300 -0.014 0.000 0.900 774 V CB 1.545 33.355 31.823 -0.021 0.000 0.983 774 V HN -0.138 nan 8.190 nan 0.000 0.459 775 P HA 0.052 nan 4.420 nan 0.000 0.255 775 P C -0.286 176.969 177.300 -0.075 0.000 1.161 775 P CA 0.744 63.819 63.100 -0.043 0.000 0.768 775 P CB 0.181 31.858 31.700 -0.038 0.000 0.746 776 S N 1.644 117.281 115.700 -0.105 0.000 2.615 776 S HA 0.579 5.049 4.470 -0.000 0.000 0.268 776 S C -1.065 173.372 174.600 -0.272 0.000 1.146 776 S CA -0.846 57.233 58.200 -0.201 0.000 0.818 776 S CB 0.823 63.946 63.200 -0.128 0.000 1.111 776 S HN 0.052 nan 8.310 nan 0.000 0.465 777 V N 0.760 120.335 119.914 -0.566 0.000 2.667 777 V HA 0.881 5.001 4.120 -0.000 0.000 0.308 777 V C 0.227 176.081 176.094 -0.401 0.000 1.048 777 V CA -0.351 61.628 62.300 -0.536 0.000 0.928 777 V CB 1.661 32.973 31.823 -0.851 0.000 1.004 777 V HN 1.350 nan 8.190 nan 0.000 0.444 778 A N 5.130 127.839 122.820 -0.185 0.000 2.288 778 A HA 0.849 5.169 4.320 -0.000 0.000 0.320 778 A C -0.828 176.619 177.584 -0.228 0.000 1.217 778 A CA -0.432 51.456 52.037 -0.249 0.000 0.840 778 A CB 0.473 19.421 19.000 -0.087 0.000 1.179 778 A HN 0.761 nan 8.150 nan 0.000 0.504 779 L N 1.853 122.856 121.223 -0.366 0.000 2.322 779 L HA 0.610 4.950 4.340 -0.000 0.000 0.269 779 L C -0.975 175.650 176.870 -0.409 0.000 1.012 779 L CA -1.063 53.611 54.840 -0.277 0.000 0.815 779 L CB 1.863 43.795 42.059 -0.213 0.000 1.295 779 L HN 0.591 nan 8.230 nan 0.000 0.438 780 L N 2.968 124.011 121.223 -0.299 0.000 2.372 780 L HA 0.470 4.810 4.340 -0.000 0.000 0.274 780 L C -0.848 175.775 176.870 -0.412 0.000 0.988 780 L CA -0.147 54.473 54.840 -0.366 0.000 0.833 780 L CB 1.480 43.321 42.059 -0.364 0.000 1.236 780 L HN 0.331 nan 8.230 nan 0.000 0.410 781 L N 5.377 126.335 121.223 -0.441 0.000 2.262 781 L HA 0.409 4.749 4.340 -0.000 0.000 0.288 781 L C -0.488 176.225 176.870 -0.262 0.000 1.035 781 L CA -0.412 54.146 54.840 -0.470 0.000 0.820 781 L CB 0.506 42.027 42.059 -0.896 0.000 1.204 781 L HN 0.412 nan 8.230 nan 0.000 0.424 782 F N 3.969 123.911 119.950 -0.014 0.000 2.382 782 F HA 0.265 4.792 4.527 -0.000 0.000 0.331 782 F C -1.088 174.803 175.800 0.152 0.000 1.121 782 F CA -1.417 56.617 58.000 0.056 0.000 1.183 782 F CB 0.410 39.419 39.000 0.014 0.000 1.207 782 F HN 0.347 nan 8.300 nan 0.000 0.555 783 P HA -0.164 nan 4.420 nan 0.000 0.221 783 P C 0.480 177.908 177.300 0.213 0.000 1.145 783 P CA 1.263 64.529 63.100 0.276 0.000 0.795 783 P CB -0.022 31.811 31.700 0.221 0.000 0.775 784 N N -1.559 117.217 118.700 0.127 0.000 2.314 784 N HA 0.122 4.862 4.740 -0.000 0.000 0.200 784 N C 1.182 176.483 175.510 -0.348 0.000 1.135 784 N CA 0.481 53.530 53.050 -0.003 0.000 0.835 784 N CB -0.602 37.896 38.487 0.018 0.000 0.989 784 N HN 0.167 nan 8.380 nan 0.000 0.478 785 G N -0.485 107.833 108.800 -0.803 0.000 2.232 785 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.226 785 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.226 785 G C 0.122 174.905 174.900 -0.195 0.000 0.996 785 G CA 0.251 44.546 45.100 -1.342 0.000 0.626 785 G HN 0.715 nan 8.290 nan 0.000 0.509 786 T N -0.374 114.183 114.554 0.004 0.000 2.869 786 T HA 0.631 4.981 4.350 -0.000 0.000 0.295 786 T C -0.126 174.649 174.700 0.125 0.000 0.987 786 T CA -0.313 61.866 62.100 0.132 0.000 1.109 786 T CB 2.702 71.588 68.868 0.030 0.000 0.932 786 T HN 0.818 nan 8.240 nan 0.000 0.518 787 V N 4.942 124.739 119.914 -0.196 0.000 2.409 787 V HA 0.554 4.674 4.120 -0.000 0.000 0.291 787 V C 0.265 176.256 176.094 -0.171 0.000 1.020 787 V CA -0.944 61.128 62.300 -0.379 0.000 0.848 787 V CB 0.921 32.162 31.823 -0.970 0.000 0.990 787 V HN 1.000 nan 8.190 nan 0.000 0.430 788 I N 0.906 121.468 120.570 -0.013 0.000 3.133 788 I HA 0.633 4.803 4.170 -0.000 0.000 0.311 788 I C -0.385 175.779 176.117 0.077 0.000 1.072 788 I CA -0.896 60.452 61.300 0.080 0.000 1.015 788 I CB 2.199 40.309 38.000 0.184 0.000 1.233 788 I HN 0.724 nan 8.210 nan 0.000 0.473 789 H N 3.282 122.353 119.070 0.002 0.000 2.718 789 H HA 0.445 5.001 4.556 -0.000 0.000 0.295 789 H C -1.080 174.258 175.328 0.016 0.000 1.051 789 H CA -0.879 55.167 56.048 -0.004 0.000 1.260 789 H CB 1.275 31.049 29.762 0.019 0.000 1.403 789 H HN 0.616 nan 8.280 nan 0.000 0.488 790 L N 7.475 128.833 121.223 0.225 0.000 2.388 790 L HA -0.039 4.301 4.340 -0.000 0.000 0.252 790 L C 1.497 178.480 176.870 0.188 0.000 1.357 790 L CA -0.093 54.855 54.840 0.180 0.000 1.214 790 L CB -0.161 42.005 42.059 0.178 0.000 1.392 790 L HN 0.831 nan 8.230 nan 0.000 0.432 791 L N 1.432 122.626 121.223 -0.049 0.000 2.082 791 L HA -0.377 3.963 4.340 -0.000 0.000 0.223 791 L C 2.657 179.531 176.870 0.007 0.000 1.086 791 L CA 1.889 56.648 54.840 -0.135 0.000 0.793 791 L CB -0.500 41.441 42.059 -0.197 0.000 0.896 791 L HN 0.712 nan 8.230 nan 0.000 0.441 792 A N -1.274 121.566 122.820 0.032 0.000 2.070 792 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 792 A C 1.823 179.304 177.584 -0.173 0.000 1.159 792 A CA 1.364 53.351 52.037 -0.084 0.000 0.656 792 A CB -0.603 18.312 19.000 -0.141 0.000 0.800 792 A HN 0.422 nan 8.150 nan 0.000 0.453 793 F N 0.132 120.129 119.950 0.078 0.000 2.727 793 F HA 0.142 4.669 4.527 -0.000 0.000 0.302 793 F C 0.181 176.042 175.800 0.101 0.000 1.097 793 F CA -0.699 57.381 58.000 0.132 0.000 1.330 793 F CB 0.029 39.200 39.000 0.285 0.000 1.084 793 F HN 0.035 nan 8.300 nan 0.000 0.578 794 D N 0.604 121.113 120.400 0.182 0.000 2.419 794 D HA 0.095 4.735 4.640 -0.000 0.000 0.236 794 D C 0.613 176.946 176.300 0.055 0.000 1.165 794 D CA 0.772 54.833 54.000 0.101 0.000 0.882 794 D CB 0.645 41.505 40.800 0.101 0.000 1.201 794 D HN 0.044 nan 8.370 nan 0.000 0.443 795 T N -0.366 114.203 114.554 0.026 0.000 2.906 795 T HA 0.594 4.944 4.350 -0.000 0.000 0.302 795 T C -0.429 174.266 174.700 -0.009 0.000 1.002 795 T CA -0.916 61.190 62.100 0.010 0.000 0.988 795 T CB 0.151 69.032 68.868 0.022 0.000 0.972 795 T HN 0.088 nan 8.240 nan 0.000 0.447 796 L N 3.958 125.176 121.223 -0.010 0.000 2.439 796 L HA 0.676 5.016 4.340 -0.000 0.000 0.259 796 L C -1.530 175.331 176.870 -0.014 0.000 1.129 796 L CA -1.699 53.133 54.840 -0.013 0.000 0.803 796 L CB -0.177 41.877 42.059 -0.009 0.000 1.161 796 L HN 0.536 nan 8.230 nan 0.000 0.462 797 P HA 0.000 nan 4.420 nan 0.000 0.216 797 P CA 0.000 63.092 63.100 -0.014 0.000 0.800 797 P CB 0.000 31.692 31.700 -0.014 0.000 0.726