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 3ed4_1_B DATA FIRST_RESID 30 DATA SEQUENCE NAFSPXXXXX XKQPNLVIIM ADDLGYGDLA TYGHQIVKTP NIDRLAQEGV DATA SEQUENCE KFTDYYAPAP LSSPSRAGLL TGRMPFRTGI RSWIPSGKDV ALGRNELTIA DATA SEQUENCE NLLKAQGYDT AMMGKLHLNA GGDRTDQPQA QDMGFDYSLA NTAGFVTDAT DATA SEQUENCE LDNAKERPRY GMVYPTGWLR NGQPTPRADK MSGEYVSSEV VNWLDNKKDS DATA SEQUENCE KPFFLYVAFT EVHSPLASPK KYLDMYSQYM SAYQKQHPDL FYGDWADKPW DATA SEQUENCE RGVGEYYANI SYLDAQVGKV LDKIKAMGEE DNTIVIFTSD NGPVTREARK DATA SEQUENCE VYELNLAGET DGLRGRKDNL WEGGIRVPAI IKYGKHLPQG MVSDTPVYGL DATA SEQUENCE DWMPTLAKMM NFKLPTDRTF DGESLVPVLE QKALKREKPL IFGIDMPFQD DATA SEQUENCE DPTDEWAIRD GDWKMIIDRN NKPKYLYNLK SDRYETLNLI GKKPDIEKQM DATA SEQUENCE YGKFLKYKTD IDNDSLMKAR GDKPEAVTWG 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 30 N HA 0.000 nan 4.740 nan 0.000 0.220 30 N C 0.000 175.538 175.510 0.046 0.000 1.280 30 N CA 0.000 53.092 53.050 0.070 0.000 0.885 30 N CB 0.000 38.535 38.487 0.081 0.000 1.341 31 A N 2.353 125.198 122.820 0.043 0.000 2.275 31 A HA 0.313 4.634 4.320 0.001 0.000 0.212 31 A C 0.055 177.399 177.584 -0.400 0.000 1.201 31 A CA 0.301 52.212 52.037 -0.210 0.000 0.843 31 A CB -0.468 18.316 19.000 -0.361 0.000 0.873 31 A HN 0.517 nan 8.150 nan 0.000 0.492 32 F N 0.083 120.032 119.950 -0.001 0.000 2.791 32 F HA 0.286 4.814 4.527 0.001 0.000 0.308 32 F C 0.667 176.466 175.800 -0.001 0.000 1.138 32 F CA -0.246 57.753 58.000 -0.001 0.000 1.294 32 F CB 0.482 39.481 39.000 -0.001 0.000 0.975 32 F HN -0.091 nan 8.300 nan 0.000 0.512 33 S N 1.777 117.535 115.700 0.096 0.000 2.548 33 S HA 0.407 4.878 4.470 0.001 0.000 0.277 33 S C -1.460 173.164 174.600 0.040 0.000 1.315 33 S CA -0.883 57.355 58.200 0.063 0.000 1.050 33 S CB 0.515 63.736 63.200 0.035 0.000 0.918 33 S HN 0.101 nan 8.310 nan 0.000 0.497 42 Q N 3.202 123.011 119.800 0.014 0.000 2.330 42 Q HA 0.266 4.607 4.340 0.001 0.000 0.279 42 Q C -1.981 174.022 176.000 0.005 0.000 1.024 42 Q CA -1.462 54.365 55.803 0.039 0.000 0.900 42 Q CB 0.005 28.780 28.738 0.062 0.000 1.221 42 Q HN 0.300 nan 8.270 nan 0.000 0.396 43 P HA 0.025 nan 4.420 nan 0.000 0.275 43 P C -0.705 176.564 177.300 -0.052 0.000 1.228 43 P CA -0.308 62.777 63.100 -0.026 0.000 0.786 43 P CB 0.661 32.255 31.700 -0.175 0.000 0.927 44 N N 1.338 119.918 118.700 -0.199 0.000 2.399 44 N HA 0.262 5.002 4.740 0.001 0.000 0.250 44 N C -0.310 175.077 175.510 -0.206 0.000 1.272 44 N CA -0.015 52.803 53.050 -0.385 0.000 0.928 44 N CB 0.180 38.033 38.487 -1.056 0.000 1.158 44 N HN 0.348 nan 8.380 nan 0.000 0.463 45 L N 0.486 121.653 121.223 -0.092 0.000 2.438 45 L HA 0.434 4.775 4.340 0.001 0.000 0.270 45 L C -1.447 175.600 176.870 0.296 0.000 0.972 45 L CA -0.627 54.254 54.840 0.069 0.000 0.831 45 L CB 1.834 43.900 42.059 0.012 0.000 1.273 45 L HN 0.200 nan 8.230 nan 0.000 0.405 46 V N 6.604 126.655 119.914 0.228 0.000 2.376 46 V HA 0.476 4.597 4.120 0.001 0.000 0.287 46 V C -0.075 176.136 176.094 0.195 0.000 1.015 46 V CA -0.383 62.074 62.300 0.262 0.000 0.834 46 V CB 1.508 33.477 31.823 0.243 0.000 1.001 46 V HN 0.592 nan 8.190 nan 0.000 0.428 47 I N 6.096 126.824 120.570 0.263 0.000 2.307 47 I HA 0.428 4.598 4.170 0.001 0.000 0.289 47 I C -0.327 175.849 176.117 0.099 0.000 1.021 47 I CA -0.177 61.234 61.300 0.186 0.000 1.224 47 I CB 1.133 39.330 38.000 0.328 0.000 1.376 47 I HN 0.441 nan 8.210 nan 0.000 0.470 48 I N 7.062 127.667 120.570 0.059 0.000 2.307 48 I HA 0.282 4.452 4.170 0.001 0.000 0.289 48 I C -0.133 175.936 176.117 -0.081 0.000 1.021 48 I CA -0.398 60.930 61.300 0.046 0.000 1.224 48 I CB 1.335 39.523 38.000 0.313 0.000 1.376 48 I HN 0.552 nan 8.210 nan 0.000 0.470 49 M N 7.333 126.851 119.600 -0.137 0.000 2.066 49 M HA 0.586 5.067 4.480 0.001 0.000 0.340 49 M C -0.254 176.007 176.300 -0.064 0.000 1.053 49 M CA -0.103 55.113 55.300 -0.139 0.000 0.983 49 M CB 1.098 33.664 32.600 -0.056 0.000 1.520 49 M HN 0.616 nan 8.290 nan 0.000 0.428 50 A N 2.941 125.683 122.820 -0.130 0.000 2.287 50 A HA 0.515 4.835 4.320 0.001 0.000 0.273 50 A C -0.671 176.947 177.584 0.058 0.000 1.091 50 A CA -0.427 51.624 52.037 0.024 0.000 0.817 50 A CB 0.338 19.348 19.000 0.017 0.000 1.069 50 A HN 0.746 nan 8.150 nan 0.000 0.492 51 D N 0.142 120.614 120.400 0.119 0.000 2.425 51 D HA 0.404 5.044 4.640 0.001 0.000 0.240 51 D C -0.855 175.562 176.300 0.195 0.000 1.080 51 D CA 0.156 54.261 54.000 0.175 0.000 0.836 51 D CB 0.724 41.647 40.800 0.205 0.000 1.125 51 D HN 0.476 nan 8.370 nan 0.000 0.525 52 D N 1.529 122.047 120.400 0.197 0.000 2.945 52 D HA -0.224 4.417 4.640 0.001 0.000 0.225 52 D C -0.134 176.274 176.300 0.180 0.000 1.158 52 D CA 0.353 54.462 54.000 0.182 0.000 0.805 52 D CB -1.320 39.570 40.800 0.150 0.000 1.098 52 D HN 0.309 nan 8.370 nan 0.000 0.426 53 L N 0.608 121.919 121.223 0.148 0.000 2.281 53 L HA 0.551 4.892 4.340 0.001 0.000 0.285 53 L C 1.073 178.029 176.870 0.143 0.000 1.074 53 L CA 0.074 54.997 54.840 0.137 0.000 0.817 53 L CB 1.108 43.228 42.059 0.103 0.000 1.168 53 L HN 0.054 nan 8.230 nan 0.000 0.434 54 G N 2.979 111.885 108.800 0.177 0.000 2.537 54 G HA2 0.044 4.004 3.960 0.001 0.000 0.273 54 G HA3 0.044 4.004 3.960 0.001 0.000 0.273 54 G C 0.108 175.088 174.900 0.133 0.000 1.189 54 G CA -0.204 45.003 45.100 0.179 0.000 0.881 54 G HN 0.778 nan 8.290 nan 0.000 0.535 55 Y N 0.867 121.177 120.300 0.016 0.000 2.256 55 Y HA -0.067 4.483 4.550 0.001 0.000 0.288 55 Y C 2.395 178.306 175.900 0.019 0.000 1.155 55 Y CA 2.174 60.242 58.100 -0.054 0.000 1.203 55 Y CB 0.074 38.538 38.460 0.006 0.000 0.980 55 Y HN 0.445 nan 8.280 nan 0.000 0.530 56 G N -1.449 107.424 108.800 0.122 0.000 3.189 56 G HA2 -0.035 3.926 3.960 0.001 0.000 0.225 56 G HA3 -0.035 3.926 3.960 0.001 0.000 0.225 56 G C 0.786 175.818 174.900 0.220 0.000 1.159 56 G CA 0.314 45.489 45.100 0.125 0.000 0.763 56 G HN 0.256 nan 8.290 nan 0.000 0.549 57 D N 0.334 120.834 120.400 0.167 0.000 2.340 57 D HA 0.138 4.779 4.640 0.001 0.000 0.220 57 D C 0.830 177.127 176.300 -0.006 0.000 1.039 57 D CA 0.239 54.336 54.000 0.161 0.000 0.866 57 D CB 0.462 41.358 40.800 0.160 0.000 0.913 57 D HN 0.256 nan 8.370 nan 0.000 0.523 58 L N -0.350 120.908 121.223 0.058 0.000 2.334 58 L HA 0.478 4.819 4.340 0.001 0.000 0.273 58 L C 1.455 178.392 176.870 0.112 0.000 1.013 58 L CA -0.868 54.005 54.840 0.055 0.000 0.816 58 L CB 1.895 44.035 42.059 0.136 0.000 1.278 58 L HN -0.258 nan 8.230 nan 0.000 0.431 59 A N 0.828 123.678 122.820 0.049 0.000 1.908 59 A HA -0.185 4.136 4.320 0.001 0.000 0.218 59 A C 2.102 179.714 177.584 0.047 0.000 1.181 59 A CA 2.533 54.606 52.037 0.059 0.000 0.627 59 A CB -0.608 18.406 19.000 0.023 0.000 0.818 59 A HN 0.840 nan 8.150 nan 0.000 0.445 60 T N -2.409 112.169 114.554 0.041 0.000 3.007 60 T HA -0.078 4.272 4.350 0.001 0.000 0.270 60 T C 0.833 175.450 174.700 -0.139 0.000 1.107 60 T CA 1.049 63.128 62.100 -0.036 0.000 1.118 60 T CB -0.384 68.454 68.868 -0.049 0.000 0.889 60 T HN 0.532 nan 8.240 nan 0.000 0.506 61 Y N 0.086 120.344 120.300 -0.071 0.000 2.571 61 Y HA 0.427 4.978 4.550 0.001 0.000 0.275 61 Y C 1.710 177.547 175.900 -0.106 0.000 1.179 61 Y CA -0.187 57.824 58.100 -0.149 0.000 1.242 61 Y CB 0.253 38.551 38.460 -0.269 0.000 1.126 61 Y HN 0.281 nan 8.280 nan 0.000 0.524 62 G N -0.855 107.974 108.800 0.050 0.000 2.176 62 G HA2 -0.278 3.683 3.960 0.001 0.000 0.232 62 G HA3 -0.278 3.683 3.960 0.001 0.000 0.232 62 G C 0.100 175.027 174.900 0.046 0.000 0.986 62 G CA -0.233 44.887 45.100 0.034 0.000 0.643 62 G HN 0.443 nan 8.290 nan 0.000 0.522 63 H N 1.088 120.151 119.070 -0.011 0.000 3.004 63 H HA 0.233 4.789 4.556 0.001 0.000 0.316 63 H C 1.457 176.741 175.328 -0.074 0.000 1.014 63 H CA 1.088 57.104 56.048 -0.054 0.000 1.454 63 H CB 0.701 30.410 29.762 -0.087 0.000 1.472 63 H HN 0.457 nan 8.280 nan 0.000 0.571 64 Q N 3.814 123.517 119.800 -0.162 0.000 2.425 64 Q HA 0.116 4.457 4.340 0.001 0.000 0.204 64 Q C 1.257 177.256 176.000 -0.002 0.000 0.933 64 Q CA 0.654 56.420 55.803 -0.061 0.000 0.939 64 Q CB 0.756 29.440 28.738 -0.089 0.000 1.044 64 Q HN 0.695 nan 8.270 nan 0.000 0.513 65 I N -2.088 118.505 120.570 0.038 0.000 3.873 65 I HA 0.072 4.243 4.170 0.001 0.000 0.284 65 I C 0.461 176.582 176.117 0.007 0.000 1.186 65 I CA -0.150 61.131 61.300 -0.032 0.000 1.362 65 I CB 0.616 38.391 38.000 -0.375 0.000 1.432 65 I HN -0.120 nan 8.210 nan 0.000 0.454 66 V N 3.365 123.191 119.914 -0.147 0.000 2.843 66 V HA 0.108 4.229 4.120 0.001 0.000 0.305 66 V C -0.154 175.943 176.094 0.005 0.000 1.065 66 V CA 0.043 62.196 62.300 -0.245 0.000 1.116 66 V CB 0.713 32.099 31.823 -0.728 0.000 0.968 66 V HN 0.099 nan 8.190 nan 0.000 0.487 67 K N 4.350 124.836 120.400 0.142 0.000 2.281 67 K HA 0.364 4.684 4.320 0.001 0.000 0.272 67 K C -0.015 176.619 176.600 0.057 0.000 1.048 67 K CA -0.147 56.198 56.287 0.098 0.000 0.898 67 K CB 1.142 33.710 32.500 0.114 0.000 1.128 67 K HN 0.841 nan 8.250 nan 0.000 0.460 68 T N -0.237 114.320 114.554 0.005 0.000 3.427 68 T HA 0.222 4.573 4.350 0.001 0.000 0.306 68 T C -1.610 173.070 174.700 -0.034 0.000 1.733 68 T CA -1.533 60.548 62.100 -0.031 0.000 1.599 68 T CB 0.819 69.646 68.868 -0.068 0.000 0.964 68 T HN 0.147 nan 8.240 nan 0.000 0.701 69 P HA -0.109 nan 4.420 nan 0.000 0.216 69 P C 1.244 178.522 177.300 -0.036 0.000 1.153 69 P CA 1.081 64.172 63.100 -0.015 0.000 0.848 69 P CB 0.233 31.935 31.700 0.003 0.000 0.787 70 N N 0.033 118.702 118.700 -0.052 0.000 2.142 70 N HA -0.047 4.694 4.740 0.001 0.000 0.186 70 N C 2.057 177.496 175.510 -0.118 0.000 1.023 70 N CA 1.054 54.061 53.050 -0.071 0.000 0.852 70 N CB -0.482 37.961 38.487 -0.074 0.000 0.998 70 N HN 0.236 nan 8.380 nan 0.000 0.424 71 I N 1.353 121.814 120.570 -0.182 0.000 2.353 71 I HA -0.180 3.991 4.170 0.001 0.000 0.248 71 I C 1.537 177.568 176.117 -0.142 0.000 1.119 71 I CA 0.886 62.024 61.300 -0.269 0.000 1.417 71 I CB -0.179 37.546 38.000 -0.457 0.000 1.078 71 I HN -0.092 nan 8.210 nan 0.000 0.421 72 D N 0.706 121.054 120.400 -0.087 0.000 2.123 72 D HA -0.220 4.420 4.640 0.001 0.000 0.196 72 D C 2.200 178.474 176.300 -0.044 0.000 0.992 72 D CA 1.138 55.108 54.000 -0.050 0.000 0.833 72 D CB -0.229 40.550 40.800 -0.034 0.000 0.954 72 D HN 0.108 nan 8.370 nan 0.000 0.455 73 R N 0.429 120.904 120.500 -0.042 0.000 2.081 73 R HA -0.084 4.257 4.340 0.001 0.000 0.235 73 R C 2.110 178.397 176.300 -0.022 0.000 1.131 73 R CA 0.737 56.821 56.100 -0.027 0.000 0.960 73 R CB -0.891 29.397 30.300 -0.020 0.000 0.856 73 R HN 0.152 nan 8.270 nan 0.000 0.436 74 L N 0.259 121.461 121.223 -0.035 0.000 2.012 74 L HA -0.078 4.262 4.340 0.001 0.000 0.210 74 L C 2.135 179.006 176.870 0.002 0.000 1.073 74 L CA 2.338 57.169 54.840 -0.015 0.000 0.748 74 L CB -1.011 41.021 42.059 -0.045 0.000 0.891 74 L HN 0.305 nan 8.230 nan 0.000 0.431 75 A N -1.384 121.429 122.820 -0.012 0.000 1.902 75 A HA -0.278 4.043 4.320 0.001 0.000 0.217 75 A C 2.314 179.883 177.584 -0.026 0.000 1.181 75 A CA 1.709 53.739 52.037 -0.012 0.000 0.623 75 A CB -0.727 18.255 19.000 -0.031 0.000 0.818 75 A HN 0.644 nan 8.150 nan 0.000 0.443 76 Q N -0.420 119.364 119.800 -0.027 0.000 2.135 76 Q HA -0.216 4.124 4.340 0.001 0.000 0.204 76 Q C 1.501 177.495 176.000 -0.010 0.000 0.981 76 Q CA 1.858 57.647 55.803 -0.023 0.000 0.856 76 Q CB -0.093 28.633 28.738 -0.020 0.000 0.902 76 Q HN 0.798 nan 8.270 nan 0.000 0.425 77 E N -1.029 119.172 120.200 0.001 0.000 2.478 77 E HA 0.101 4.451 4.350 0.001 0.000 0.194 77 E C 0.411 177.027 176.600 0.027 0.000 1.045 77 E CA 0.197 56.607 56.400 0.016 0.000 0.868 77 E CB 0.799 30.514 29.700 0.026 0.000 0.885 77 E HN 0.345 nan 8.360 nan 0.000 0.505 78 G N 0.095 108.906 108.800 0.020 0.000 3.243 78 G HA2 0.434 4.395 3.960 0.001 0.000 0.248 78 G HA3 0.434 4.395 3.960 0.001 0.000 0.248 78 G C -1.033 173.860 174.900 -0.011 0.000 1.267 78 G CA -0.533 44.586 45.100 0.032 0.000 0.906 78 G HN -0.048 nan 8.290 nan 0.000 0.592 79 V N 0.996 120.892 119.914 -0.030 0.000 2.347 79 V HA 0.428 4.549 4.120 0.001 0.000 0.280 79 V C 0.054 175.984 176.094 -0.274 0.000 1.021 79 V CA -0.670 61.522 62.300 -0.179 0.000 0.847 79 V CB 1.066 32.745 31.823 -0.240 0.000 0.990 79 V HN 0.650 nan 8.190 nan 0.000 0.444 80 K N 4.790 125.035 120.400 -0.258 0.000 2.211 80 K HA 0.536 4.856 4.320 0.001 0.000 0.275 80 K C -1.293 175.178 176.600 -0.214 0.000 1.024 80 K CA -0.456 55.741 56.287 -0.151 0.000 0.887 80 K CB 0.694 33.112 32.500 -0.136 0.000 1.084 80 K HN 0.434 nan 8.250 nan 0.000 0.463 81 F N 2.288 122.375 119.950 0.229 0.000 2.410 81 F HA 0.165 4.692 4.527 0.001 0.000 0.349 81 F C 1.525 177.536 175.800 0.351 0.000 1.117 81 F CA -0.537 57.622 58.000 0.264 0.000 1.104 81 F CB 1.888 41.077 39.000 0.316 0.000 1.122 81 F HN 0.653 nan 8.300 nan 0.000 0.483 82 T N -3.320 111.496 114.554 0.436 0.000 3.060 82 T HA 0.141 4.492 4.350 0.001 0.000 0.249 82 T C 0.213 175.170 174.700 0.427 0.000 1.079 82 T CA 0.185 62.569 62.100 0.473 0.000 1.013 82 T CB -0.224 68.805 68.868 0.269 0.000 0.975 82 T HN 0.433 nan 8.240 nan 0.000 0.518 83 D N 0.619 121.198 120.400 0.298 0.000 2.895 83 D HA 0.251 4.891 4.640 0.001 0.000 0.350 83 D C -1.187 175.092 176.300 -0.035 0.000 1.389 83 D CA -0.553 53.471 54.000 0.039 0.000 0.812 83 D CB 0.152 41.022 40.800 0.116 0.000 1.164 83 D HN 0.482 nan 8.370 nan 0.000 0.455 84 Y N 0.855 121.109 120.300 -0.077 0.000 2.308 84 Y HA 0.447 4.998 4.550 0.001 0.000 0.329 84 Y C -1.130 174.618 175.900 -0.254 0.000 1.111 84 Y CA -0.560 57.505 58.100 -0.059 0.000 1.179 84 Y CB 0.425 38.952 38.460 0.111 0.000 1.201 84 Y HN -0.057 nan 8.280 nan 0.000 0.483 85 Y N 3.887 123.864 120.300 -0.539 0.000 2.429 85 Y HA 0.680 5.231 4.550 0.001 0.000 0.342 85 Y C 0.265 175.921 175.900 -0.406 0.000 1.004 85 Y CA -1.004 56.927 58.100 -0.283 0.000 1.075 85 Y CB 1.521 39.998 38.460 0.028 0.000 1.214 85 Y HN 0.799 nan 8.280 nan 0.000 0.455 86 A N 3.454 126.350 122.820 0.125 0.000 2.386 86 A HA 0.334 4.654 4.320 0.001 0.000 0.248 86 A C -1.870 175.899 177.584 0.308 0.000 1.082 86 A CA -1.269 50.890 52.037 0.203 0.000 0.789 86 A CB 0.051 19.188 19.000 0.229 0.000 1.025 86 A HN 0.648 nan 8.150 nan 0.000 0.490 87 P HA 0.106 nan 4.420 nan 0.000 0.223 87 P C 0.076 177.521 177.300 0.242 0.000 1.151 87 P CA 1.781 64.998 63.100 0.196 0.000 0.787 87 P CB 0.227 31.922 31.700 -0.010 0.000 0.788 88 A N -1.211 121.718 122.820 0.182 0.000 2.594 88 A HA 0.551 4.872 4.320 0.001 0.000 0.295 88 A C -2.617 175.029 177.584 0.104 0.000 1.071 88 A CA -1.292 50.814 52.037 0.115 0.000 0.685 88 A CB 0.704 19.733 19.000 0.050 0.000 1.285 88 A HN -0.233 nan 8.150 nan 0.000 0.405 89 P HA 0.299 nan 4.420 nan 0.000 0.255 89 P C -0.566 176.794 177.300 0.100 0.000 1.427 89 P CA 0.349 63.492 63.100 0.071 0.000 0.863 89 P CB -0.174 31.545 31.700 0.032 0.000 1.444 90 L N -1.389 119.901 121.223 0.112 0.000 2.465 90 L HA 0.330 4.670 4.340 0.001 0.000 0.257 90 L C 1.486 178.458 176.870 0.169 0.000 0.988 90 L CA -0.353 54.578 54.840 0.152 0.000 0.827 90 L CB 1.537 43.670 42.059 0.122 0.000 1.397 90 L HN -0.394 nan 8.230 nan 0.000 0.410 91 S N -0.100 115.743 115.700 0.238 0.000 2.365 91 S HA -0.184 4.287 4.470 0.001 0.000 0.221 91 S C 1.715 176.411 174.600 0.161 0.000 1.037 91 S CA 2.106 60.461 58.200 0.258 0.000 1.060 91 S CB -0.235 63.223 63.200 0.431 0.000 0.974 91 S HN 0.771 nan 8.310 nan 0.000 0.427 92 S N 2.175 117.901 115.700 0.043 0.000 2.348 92 S HA -0.046 4.424 4.470 0.001 0.000 0.221 92 S C -0.534 174.067 174.600 0.002 0.000 1.033 92 S CA 1.500 59.641 58.200 -0.099 0.000 1.010 92 S CB -1.461 61.544 63.200 -0.326 0.000 0.891 92 S HN 0.491 nan 8.310 nan 0.000 0.442 93 P HA -0.065 nan 4.420 nan 0.000 0.217 93 P C 1.619 178.953 177.300 0.058 0.000 1.150 93 P CA 1.191 64.322 63.100 0.051 0.000 0.832 93 P CB -0.170 31.573 31.700 0.071 0.000 0.787 94 S N -0.160 115.591 115.700 0.085 0.000 2.359 94 S HA -0.179 4.292 4.470 0.001 0.000 0.224 94 S C 2.153 176.822 174.600 0.115 0.000 1.035 94 S CA 1.334 59.601 58.200 0.111 0.000 1.018 94 S CB -0.547 62.742 63.200 0.149 0.000 0.876 94 S HN 0.028 nan 8.310 nan 0.000 0.448 95 R N 0.603 121.175 120.500 0.121 0.000 2.075 95 R HA 0.080 4.421 4.340 0.001 0.000 0.232 95 R C 2.691 179.038 176.300 0.078 0.000 1.126 95 R CA 1.238 57.417 56.100 0.131 0.000 0.963 95 R CB -0.611 29.785 30.300 0.160 0.000 0.858 95 R HN 0.491 nan 8.270 nan 0.000 0.435 96 A N 0.721 123.574 122.820 0.055 0.000 1.883 96 A HA -0.119 4.201 4.320 0.001 0.000 0.217 96 A C 2.390 179.989 177.584 0.026 0.000 1.186 96 A CA 1.896 53.953 52.037 0.032 0.000 0.624 96 A CB -1.362 17.654 19.000 0.027 0.000 0.822 96 A HN 0.475 nan 8.150 nan 0.000 0.444 97 G N -0.246 108.569 108.800 0.024 0.000 2.459 97 G HA2 -0.228 3.733 3.960 0.001 0.000 0.217 97 G HA3 -0.228 3.733 3.960 0.001 0.000 0.217 97 G C 1.619 176.529 174.900 0.016 0.000 1.183 97 G CA 1.148 46.244 45.100 -0.006 0.000 0.776 97 G HN 0.546 nan 8.290 nan 0.000 0.552 98 L N -0.105 121.160 121.223 0.070 0.000 2.046 98 L HA 0.072 4.412 4.340 0.001 0.000 0.208 98 L C 2.708 179.641 176.870 0.106 0.000 1.077 98 L CA 1.152 56.079 54.840 0.146 0.000 0.747 98 L CB -0.132 42.063 42.059 0.227 0.000 0.896 98 L HN 0.200 nan 8.230 nan 0.000 0.432 99 L N -0.900 120.348 121.223 0.042 0.000 2.291 99 L HA -0.096 4.245 4.340 0.001 0.000 0.214 99 L C 2.219 179.098 176.870 0.015 0.000 1.120 99 L CA 1.417 56.251 54.840 -0.010 0.000 0.799 99 L CB -0.494 41.526 42.059 -0.064 0.000 0.925 99 L HN 0.517 nan 8.230 nan 0.000 0.446 100 T N -5.558 109.022 114.554 0.044 0.000 2.990 100 T HA 0.217 4.568 4.350 0.001 0.000 0.250 100 T C 1.454 176.261 174.700 0.178 0.000 1.041 100 T CA 0.452 62.599 62.100 0.078 0.000 1.010 100 T CB 0.728 69.612 68.868 0.027 0.000 1.003 100 T HN 0.302 nan 8.240 nan 0.000 0.499 101 G N 1.829 110.710 108.800 0.135 0.000 2.179 101 G HA2 -0.263 3.697 3.960 0.001 0.000 0.257 101 G HA3 -0.263 3.697 3.960 0.001 0.000 0.257 101 G C -0.026 174.954 174.900 0.133 0.000 1.010 101 G CA 0.103 45.303 45.100 0.167 0.000 0.736 101 G HN 0.726 nan 8.290 nan 0.000 0.513 102 R N -0.719 119.794 120.500 0.022 0.000 2.561 102 R HA 0.521 4.862 4.340 0.001 0.000 0.297 102 R C 0.581 176.846 176.300 -0.059 0.000 0.969 102 R CA -1.124 54.951 56.100 -0.040 0.000 0.879 102 R CB 1.153 31.394 30.300 -0.099 0.000 1.178 102 R HN 0.209 nan 8.270 nan 0.000 0.445 103 M N 5.810 125.367 119.600 -0.072 0.000 2.338 103 M HA 0.010 4.490 4.480 0.001 0.000 0.360 103 M C -1.496 174.758 176.300 -0.076 0.000 1.547 103 M CA -1.063 54.163 55.300 -0.122 0.000 1.001 103 M CB 0.600 33.112 32.600 -0.147 0.000 2.008 103 M HN 0.450 nan 8.290 nan 0.000 0.464 104 P HA -0.200 nan 4.420 nan 0.000 0.217 104 P C 1.223 178.632 177.300 0.181 0.000 1.148 104 P CA 1.599 64.721 63.100 0.036 0.000 0.828 104 P CB -0.288 31.438 31.700 0.042 0.000 0.783 105 F N 0.807 120.716 119.950 -0.069 0.000 2.161 105 F HA -0.117 4.411 4.527 0.001 0.000 0.300 105 F C 2.469 178.261 175.800 -0.013 0.000 1.089 105 F CA 0.632 58.597 58.000 -0.058 0.000 1.282 105 F CB -1.571 37.386 39.000 -0.071 0.000 1.010 105 F HN -0.050 nan 8.300 nan 0.000 0.485 106 R N -0.440 120.169 120.500 0.181 0.000 2.127 106 R HA -0.143 4.197 4.340 0.001 0.000 0.238 106 R C 1.966 178.293 176.300 0.045 0.000 1.134 106 R CA 1.830 57.981 56.100 0.086 0.000 0.975 106 R CB -0.879 29.438 30.300 0.030 0.000 0.865 106 R HN 0.400 nan 8.270 nan 0.000 0.447 107 T N -3.588 110.994 114.554 0.048 0.000 3.107 107 T HA 0.223 4.573 4.350 0.001 0.000 0.249 107 T C 1.273 175.990 174.700 0.029 0.000 1.096 107 T CA 0.484 62.598 62.100 0.022 0.000 1.012 107 T CB 0.881 69.757 68.868 0.014 0.000 0.977 107 T HN 0.392 nan 8.240 nan 0.000 0.527 108 G N 1.245 110.073 108.800 0.047 0.000 2.175 108 G HA2 -0.158 3.803 3.960 0.001 0.000 0.244 108 G HA3 -0.158 3.803 3.960 0.001 0.000 0.244 108 G C -0.073 174.850 174.900 0.038 0.000 0.982 108 G CA -0.039 45.082 45.100 0.034 0.000 0.641 108 G HN 0.641 nan 8.290 nan 0.000 0.527 109 I N 0.454 121.056 120.570 0.053 0.000 2.382 109 I HA 0.440 4.611 4.170 0.001 0.000 0.285 109 I C 1.223 177.381 176.117 0.068 0.000 1.007 109 I CA -0.875 60.455 61.300 0.049 0.000 1.142 109 I CB 1.491 39.512 38.000 0.035 0.000 1.289 109 I HN 0.038 nan 8.210 nan 0.000 0.453 110 R N 2.828 123.299 120.500 -0.047 0.000 2.279 110 R HA 0.218 4.558 4.340 0.001 0.000 0.195 110 R C 0.690 176.895 176.300 -0.159 0.000 0.905 110 R CA 0.385 56.358 56.100 -0.211 0.000 1.044 110 R CB 0.555 30.458 30.300 -0.663 0.000 1.056 110 R HN 0.786 nan 8.270 nan 0.000 0.535 111 S N -0.780 114.813 115.700 -0.179 0.000 4.294 111 S HA 0.096 4.567 4.470 0.001 0.000 0.255 111 S C -1.229 173.329 174.600 -0.071 0.000 0.997 111 S CA -0.966 57.078 58.200 -0.260 0.000 1.177 111 S CB -0.341 62.423 63.200 -0.726 0.000 1.907 111 S HN 0.305 nan 8.310 nan 0.000 0.510 112 W N 2.087 123.477 121.300 0.151 0.000 2.148 112 W HA 0.693 5.354 4.660 0.001 0.000 0.347 112 W C -0.368 176.268 176.519 0.195 0.000 1.288 112 W CA -1.242 56.218 57.345 0.193 0.000 1.252 112 W CB -0.474 29.139 29.460 0.254 0.000 1.156 112 W HN 0.462 nan 8.180 nan 0.000 0.580 113 I N 5.007 125.821 120.570 0.406 0.000 2.388 113 I HA 0.181 4.351 4.170 0.001 0.000 0.281 113 I C -1.637 174.622 176.117 0.237 0.000 1.046 113 I CA -2.025 59.426 61.300 0.251 0.000 1.187 113 I CB 0.513 38.553 38.000 0.067 0.000 1.351 113 I HN 0.193 nan 8.210 nan 0.000 0.472 114 P HA 0.216 nan 4.420 nan 0.000 0.276 114 P C -0.266 177.033 177.300 -0.001 0.000 1.244 114 P CA -0.350 62.790 63.100 0.066 0.000 0.801 114 P CB 0.992 32.701 31.700 0.014 0.000 1.006 115 S N 0.011 115.712 115.700 0.001 0.000 2.576 115 S HA 0.394 4.864 4.470 0.001 0.000 0.276 115 S C 1.425 175.998 174.600 -0.046 0.000 1.339 115 S CA 0.861 59.049 58.200 -0.019 0.000 1.039 115 S CB -0.085 63.110 63.200 -0.007 0.000 0.902 115 S HN 0.921 nan 8.310 nan 0.000 0.516 116 G N 1.543 110.312 108.800 -0.052 0.000 2.168 116 G HA2 -0.231 3.730 3.960 0.001 0.000 0.263 116 G HA3 -0.231 3.730 3.960 0.001 0.000 0.263 116 G C 0.179 175.023 174.900 -0.093 0.000 0.977 116 G CA 0.476 45.541 45.100 -0.059 0.000 0.659 116 G HN 0.534 nan 8.290 nan 0.000 0.533 117 K N -0.324 119.992 120.400 -0.139 0.000 2.393 117 K HA 0.450 4.770 4.320 0.001 0.000 0.241 117 K C -0.293 176.188 176.600 -0.197 0.000 1.055 117 K CA -0.566 55.586 56.287 -0.225 0.000 0.951 117 K CB 0.588 32.842 32.500 -0.410 0.000 1.285 117 K HN -0.052 nan 8.250 nan 0.000 0.500 118 D N 0.861 121.117 120.400 -0.240 0.000 2.525 118 D HA 0.119 4.760 4.640 0.001 0.000 0.229 118 D C -0.441 175.769 176.300 -0.149 0.000 1.202 118 D CA 0.007 53.913 54.000 -0.158 0.000 0.828 118 D CB 0.345 41.073 40.800 -0.120 0.000 1.008 118 D HN 0.025 nan 8.370 nan 0.000 0.493 119 V N 0.980 120.785 119.914 -0.183 0.000 2.432 119 V HA 0.716 4.836 4.120 0.001 0.000 0.271 119 V C 0.435 176.501 176.094 -0.047 0.000 1.046 119 V CA -0.355 61.887 62.300 -0.098 0.000 0.945 119 V CB 0.919 32.698 31.823 -0.074 0.000 0.992 119 V HN 0.258 nan 8.190 nan 0.000 0.471 120 A N 4.335 127.142 122.820 -0.023 0.000 2.586 120 A HA 0.684 5.005 4.320 0.001 0.000 0.291 120 A C -1.121 176.460 177.584 -0.005 0.000 1.062 120 A CA -0.834 51.194 52.037 -0.015 0.000 0.666 120 A CB 0.904 19.892 19.000 -0.020 0.000 1.281 120 A HN 0.747 nan 8.150 nan 0.000 0.421 121 L N 1.751 122.973 121.223 -0.002 0.000 2.601 121 L HA 0.415 4.755 4.340 0.001 0.000 0.277 121 L C 1.227 178.095 176.870 -0.003 0.000 1.219 121 L CA 1.459 56.300 54.840 0.001 0.000 0.915 121 L CB 0.158 42.220 42.059 0.004 0.000 1.160 121 L HN 1.102 nan 8.230 nan 0.000 0.494 122 G N 4.529 113.327 108.800 -0.002 0.000 2.391 122 G HA2 -0.034 3.926 3.960 0.001 0.000 0.234 122 G HA3 -0.034 3.926 3.960 0.001 0.000 0.234 122 G C 0.875 175.768 174.900 -0.011 0.000 1.284 122 G CA -0.429 44.667 45.100 -0.007 0.000 0.873 122 G HN 0.767 nan 8.290 nan 0.000 0.549 123 R N 1.484 121.977 120.500 -0.011 0.000 2.120 123 R HA -0.109 4.232 4.340 0.001 0.000 0.234 123 R C 1.818 178.110 176.300 -0.015 0.000 1.123 123 R CA 1.478 57.571 56.100 -0.012 0.000 0.975 123 R CB -0.088 30.205 30.300 -0.011 0.000 0.866 123 R HN 0.790 nan 8.270 nan 0.000 0.446 124 N N 0.573 119.263 118.700 -0.017 0.000 2.270 124 N HA -0.033 4.707 4.740 0.001 0.000 0.198 124 N C -0.223 175.271 175.510 -0.026 0.000 1.117 124 N CA 0.046 53.084 53.050 -0.020 0.000 0.845 124 N CB 0.090 38.565 38.487 -0.020 0.000 0.980 124 N HN -0.060 nan 8.380 nan 0.000 0.486 125 E N 0.860 121.044 120.200 -0.026 0.000 2.373 125 E HA 0.192 4.542 4.350 0.001 0.000 0.267 125 E C -0.216 176.368 176.600 -0.027 0.000 1.032 125 E CA -0.177 56.205 56.400 -0.031 0.000 0.889 125 E CB 1.588 31.272 29.700 -0.026 0.000 0.984 125 E HN 0.282 nan 8.360 nan 0.000 0.425 126 L N 1.874 123.085 121.223 -0.020 0.000 2.329 126 L HA 0.312 4.652 4.340 0.001 0.000 0.279 126 L C 0.802 177.658 176.870 -0.024 0.000 1.014 126 L CA -0.681 54.145 54.840 -0.024 0.000 0.814 126 L CB 1.733 43.790 42.059 -0.002 0.000 1.257 126 L HN 0.558 nan 8.230 nan 0.000 0.424 127 T N -1.586 112.922 114.554 -0.077 0.000 2.897 127 T HA 0.446 4.797 4.350 0.001 0.000 0.278 127 T C 1.337 175.939 174.700 -0.164 0.000 0.981 127 T CA -0.706 61.336 62.100 -0.098 0.000 0.973 127 T CB 1.056 69.845 68.868 -0.132 0.000 1.092 127 T HN 0.424 nan 8.240 nan 0.000 0.543 128 I N 0.795 121.254 120.570 -0.186 0.000 2.248 128 I HA -0.169 4.001 4.170 0.001 0.000 0.248 128 I C 2.979 178.803 176.117 -0.488 0.000 1.107 128 I CA 1.722 62.812 61.300 -0.350 0.000 1.373 128 I CB -0.802 36.951 38.000 -0.412 0.000 1.055 128 I HN 0.850 nan 8.210 nan 0.000 0.418 129 A N 0.978 123.594 122.820 -0.341 0.000 1.930 129 A HA -0.218 4.102 4.320 0.001 0.000 0.217 129 A C 2.022 179.396 177.584 -0.349 0.000 1.175 129 A CA 2.152 53.978 52.037 -0.351 0.000 0.627 129 A CB -0.914 17.479 19.000 -1.012 0.000 0.815 129 A HN 0.485 nan 8.150 nan 0.000 0.443 130 N N 0.001 118.512 118.700 -0.314 0.000 2.120 130 N HA -0.078 4.663 4.740 0.001 0.000 0.188 130 N C 1.585 176.951 175.510 -0.239 0.000 1.024 130 N CA 1.470 54.387 53.050 -0.222 0.000 0.852 130 N CB -0.298 38.094 38.487 -0.157 0.000 1.003 130 N HN 0.447 nan 8.380 nan 0.000 0.424 131 L N 0.412 121.435 121.223 -0.334 0.000 2.056 131 L HA -0.099 4.242 4.340 0.001 0.000 0.207 131 L C 1.984 178.506 176.870 -0.580 0.000 1.078 131 L CA 0.904 55.472 54.840 -0.453 0.000 0.749 131 L CB -0.437 41.252 42.059 -0.617 0.000 0.901 131 L HN 0.235 nan 8.230 nan 0.000 0.433 132 L N -0.388 120.435 121.223 -0.666 0.000 2.156 132 L HA -0.167 4.173 4.340 0.001 0.000 0.208 132 L C 2.688 179.425 176.870 -0.221 0.000 1.095 132 L CA 0.884 55.325 54.840 -0.666 0.000 0.770 132 L CB -0.493 41.020 42.059 -0.909 0.000 0.914 132 L HN 0.258 nan 8.230 nan 0.000 0.439 133 K N 0.832 121.148 120.400 -0.139 0.000 2.074 133 K HA -0.219 4.101 4.320 0.001 0.000 0.209 133 K C 2.003 178.603 176.600 0.000 0.000 1.048 133 K CA 1.670 57.950 56.287 -0.011 0.000 0.926 133 K CB -0.064 32.412 32.500 -0.040 0.000 0.713 133 K HN 0.299 nan 8.250 nan 0.000 0.444 134 A N 0.556 123.340 122.820 -0.061 0.000 2.119 134 A HA -0.084 4.237 4.320 0.001 0.000 0.217 134 A C 1.629 179.211 177.584 -0.003 0.000 1.153 134 A CA 0.855 52.871 52.037 -0.034 0.000 0.692 134 A CB -0.051 18.914 19.000 -0.058 0.000 0.799 134 A HN 0.325 nan 8.150 nan 0.000 0.458 135 Q N -1.184 118.618 119.800 0.003 0.000 2.403 135 Q HA 0.170 4.511 4.340 0.001 0.000 0.203 135 Q C 0.959 177.078 176.000 0.198 0.000 0.932 135 Q CA 0.716 56.580 55.803 0.101 0.000 0.945 135 Q CB 0.200 28.996 28.738 0.097 0.000 1.045 135 Q HN 0.954 nan 8.270 nan 0.000 0.511 136 G N 0.758 109.662 108.800 0.174 0.000 2.165 136 G HA2 -0.256 3.705 3.960 0.001 0.000 0.226 136 G HA3 -0.256 3.705 3.960 0.001 0.000 0.226 136 G C -0.626 174.368 174.900 0.156 0.000 1.035 136 G CA -0.385 44.795 45.100 0.134 0.000 0.744 136 G HN 0.197 nan 8.290 nan 0.000 0.501 137 Y N 0.596 120.921 120.300 0.042 0.000 2.320 137 Y HA 0.475 5.025 4.550 0.001 0.000 0.324 137 Y C 0.646 176.646 175.900 0.168 0.000 1.190 137 Y CA -0.987 57.174 58.100 0.101 0.000 1.215 137 Y CB 0.981 39.492 38.460 0.085 0.000 1.221 137 Y HN 0.085 nan 8.280 nan 0.000 0.486 138 D N 1.519 122.134 120.400 0.358 0.000 2.338 138 D HA 0.134 4.774 4.640 0.001 0.000 0.255 138 D C -0.217 176.408 176.300 0.541 0.000 1.237 138 D CA 0.093 54.355 54.000 0.437 0.000 0.883 138 D CB 0.406 41.481 40.800 0.459 0.000 1.087 138 D HN 0.498 nan 8.370 nan 0.000 0.485 139 T N -0.443 114.355 114.554 0.407 0.000 2.794 139 T HA 0.824 5.175 4.350 0.001 0.000 0.280 139 T C -0.320 174.497 174.700 0.195 0.000 0.987 139 T CA -0.917 61.370 62.100 0.312 0.000 0.993 139 T CB 1.922 70.934 68.868 0.240 0.000 0.939 139 T HN 0.257 nan 8.240 nan 0.000 0.449 140 A N 4.060 126.840 122.820 -0.066 0.000 2.572 140 A HA 0.825 5.145 4.320 0.001 0.000 0.295 140 A C -0.931 176.357 177.584 -0.493 0.000 1.072 140 A CA -1.007 50.825 52.037 -0.342 0.000 0.691 140 A CB 2.164 20.440 19.000 -1.207 0.000 1.291 140 A HN 0.954 nan 8.150 nan 0.000 0.404 141 M N 2.104 121.344 119.600 -0.601 0.000 2.326 141 M HA 0.754 5.234 4.480 0.001 0.000 0.292 141 M C -2.320 173.647 176.300 -0.556 0.000 1.081 141 M CA -0.598 54.203 55.300 -0.831 0.000 0.919 141 M CB 1.442 33.180 32.600 -1.437 0.000 1.634 141 M HN 0.719 nan 8.290 nan 0.000 0.451 142 M N 3.996 123.270 119.600 -0.544 0.000 2.263 142 M HA 0.777 5.258 4.480 0.001 0.000 0.295 142 M C 0.230 176.243 176.300 -0.477 0.000 1.028 142 M CA 0.199 55.247 55.300 -0.421 0.000 0.921 142 M CB 1.984 34.375 32.600 -0.348 0.000 1.601 142 M HN 1.002 nan 8.290 nan 0.000 0.440 143 G N 1.601 110.157 108.800 -0.407 0.000 2.408 143 G HA2 -0.122 3.838 3.960 0.001 0.000 0.204 143 G HA3 -0.122 3.838 3.960 0.001 0.000 0.204 143 G C -1.071 173.432 174.900 -0.661 0.000 1.186 143 G CA -0.834 43.979 45.100 -0.479 0.000 1.139 143 G HN 0.841 nan 8.290 nan 0.000 0.563 144 K N 0.592 120.693 120.400 -0.498 0.000 2.339 144 K HA 0.495 4.815 4.320 0.001 0.000 0.286 144 K C 1.054 177.490 176.600 -0.275 0.000 1.050 144 K CA -0.219 55.821 56.287 -0.412 0.000 0.956 144 K CB 0.949 33.294 32.500 -0.257 0.000 0.990 144 K HN 0.531 nan 8.250 nan 0.000 0.475 145 L N 3.971 125.056 121.223 -0.230 0.000 2.327 145 L HA 0.106 4.447 4.340 0.001 0.000 0.192 145 L C 0.219 177.130 176.870 0.069 0.000 1.158 145 L CA 1.299 56.095 54.840 -0.073 0.000 0.813 145 L CB -0.466 41.526 42.059 -0.113 0.000 1.021 145 L HN 1.051 nan 8.230 nan 0.000 0.481 146 H N -0.795 118.218 119.070 -0.095 0.000 2.756 146 H HA -0.154 4.402 4.556 0.001 0.000 0.315 146 H C -0.113 175.222 175.328 0.011 0.000 1.210 146 H CA 0.928 56.950 56.048 -0.043 0.000 1.150 146 H CB -1.528 28.218 29.762 -0.027 0.000 1.463 146 H HN 0.380 nan 8.280 nan 0.000 0.427 147 L N -0.371 120.874 121.223 0.036 0.000 3.086 147 L HA 0.206 4.547 4.340 0.001 0.000 0.274 147 L C 0.666 177.533 176.870 -0.005 0.000 1.184 147 L CA 0.292 55.130 54.840 -0.003 0.000 1.002 147 L CB 0.280 42.355 42.059 0.027 0.000 1.383 147 L HN 0.436 nan 8.230 nan 0.000 0.582 148 N N -1.305 117.398 118.700 0.005 0.000 2.853 148 N HA 0.350 5.090 4.740 0.001 0.000 0.258 148 N C -0.002 175.514 175.510 0.009 0.000 1.444 148 N CA -0.210 52.839 53.050 -0.002 0.000 0.837 148 N CB 1.117 39.598 38.487 -0.009 0.000 1.489 148 N HN -0.166 nan 8.380 nan 0.000 0.529 149 A N -1.148 121.667 122.820 -0.009 0.000 2.259 149 A HA 0.611 4.931 4.320 0.001 0.000 0.208 149 A C 0.821 178.395 177.584 -0.018 0.000 1.201 149 A CA 0.715 52.746 52.037 -0.010 0.000 0.824 149 A CB -1.495 17.483 19.000 -0.038 0.000 0.838 149 A HN 1.437 nan 8.150 nan 0.000 0.485 150 G N -3.340 105.445 108.800 -0.024 0.000 2.321 150 G HA2 0.372 4.333 3.960 0.001 0.000 0.339 150 G HA3 0.372 4.333 3.960 0.001 0.000 0.339 150 G C 0.482 175.357 174.900 -0.042 0.000 1.518 150 G CA -0.181 44.894 45.100 -0.041 0.000 0.994 150 G HN 0.775 nan 8.290 nan 0.000 0.668 151 G N -0.432 108.337 108.800 -0.052 0.000 2.534 151 G HA2 0.085 4.045 3.960 0.001 0.000 0.217 151 G HA3 0.085 4.045 3.960 0.001 0.000 0.217 151 G C 1.201 176.081 174.900 -0.033 0.000 1.128 151 G CA 1.585 46.657 45.100 -0.047 0.000 0.784 151 G HN 0.964 nan 8.290 nan 0.000 0.542 152 D N 0.160 120.542 120.400 -0.029 0.000 2.317 152 D HA -0.050 4.591 4.640 0.001 0.000 0.211 152 D C 0.565 176.852 176.300 -0.021 0.000 0.966 152 D CA -0.016 53.971 54.000 -0.022 0.000 0.876 152 D CB -0.045 40.743 40.800 -0.020 0.000 0.927 152 D HN 0.020 nan 8.370 nan 0.000 0.519 153 R N 2.024 122.510 120.500 -0.024 0.000 2.351 153 R HA 0.087 4.428 4.340 0.001 0.000 0.321 153 R C 1.165 177.453 176.300 -0.020 0.000 1.182 153 R CA 0.163 56.249 56.100 -0.023 0.000 1.011 153 R CB 0.066 30.349 30.300 -0.027 0.000 1.048 153 R HN 0.254 nan 8.270 nan 0.000 0.490 154 T N -2.304 112.240 114.554 -0.017 0.000 3.035 154 T HA -0.113 4.238 4.350 0.001 0.000 0.268 154 T C 0.983 175.674 174.700 -0.013 0.000 1.109 154 T CA 0.810 62.902 62.100 -0.013 0.000 1.119 154 T CB 0.038 68.899 68.868 -0.011 0.000 0.900 154 T HN 0.456 nan 8.240 nan 0.000 0.503 155 D N 0.495 120.885 120.400 -0.017 0.000 2.349 155 D HA 0.007 4.647 4.640 0.001 0.000 0.224 155 D C 0.613 176.902 176.300 -0.018 0.000 1.029 155 D CA 0.068 54.058 54.000 -0.017 0.000 0.879 155 D CB -0.042 40.746 40.800 -0.021 0.000 0.906 155 D HN 0.491 nan 8.370 nan 0.000 0.528 156 Q N 0.248 120.037 119.800 -0.018 0.000 2.413 156 Q HA 0.455 4.795 4.340 0.001 0.000 0.276 156 Q C -2.756 173.237 176.000 -0.011 0.000 1.099 156 Q CA -2.290 53.503 55.803 -0.017 0.000 0.814 156 Q CB 2.421 31.146 28.738 -0.021 0.000 1.379 156 Q HN -0.087 nan 8.270 nan 0.000 0.436 157 P HA -0.021 nan 4.420 nan 0.000 0.268 157 P C -0.804 176.498 177.300 0.003 0.000 1.204 157 P CA 0.153 63.252 63.100 -0.002 0.000 0.768 157 P CB 0.663 32.363 31.700 0.000 0.000 0.842 158 Q N 1.339 121.143 119.800 0.007 0.000 2.385 158 Q HA 0.475 4.815 4.340 0.001 0.000 0.262 158 Q C 1.439 177.464 176.000 0.041 0.000 1.050 158 Q CA -0.804 55.005 55.803 0.009 0.000 0.903 158 Q CB 0.566 29.301 28.738 -0.004 0.000 1.325 158 Q HN 0.356 nan 8.270 nan 0.000 0.485 159 A N 0.255 123.102 122.820 0.046 0.000 1.917 159 A HA -0.275 4.045 4.320 0.001 0.000 0.219 159 A C 1.902 179.594 177.584 0.180 0.000 1.182 159 A CA 2.327 54.445 52.037 0.135 0.000 0.633 159 A CB -0.490 18.530 19.000 0.034 0.000 0.819 159 A HN 0.758 nan 8.150 nan 0.000 0.448 160 Q N -0.445 119.408 119.800 0.088 0.000 2.061 160 Q HA -0.236 4.105 4.340 0.001 0.000 0.204 160 Q C 1.352 177.375 176.000 0.038 0.000 0.984 160 Q CA 1.862 57.707 55.803 0.070 0.000 0.846 160 Q CB -0.222 28.540 28.738 0.039 0.000 0.902 160 Q HN 0.663 nan 8.270 nan 0.000 0.421 161 D N 0.186 120.601 120.400 0.025 0.000 2.149 161 D HA -0.183 4.457 4.640 0.001 0.000 0.198 161 D C 1.648 177.939 176.300 -0.015 0.000 0.990 161 D CA 1.291 55.294 54.000 0.004 0.000 0.839 161 D CB -0.172 40.630 40.800 0.004 0.000 0.948 161 D HN 0.427 nan 8.370 nan 0.000 0.460 162 M N -0.631 118.972 119.600 0.005 0.000 2.659 162 M HA 0.092 4.573 4.480 0.001 0.000 0.243 162 M C 1.130 177.293 176.300 -0.229 0.000 1.111 162 M CA 0.732 56.005 55.300 -0.044 0.000 1.070 162 M CB 0.483 33.124 32.600 0.070 0.000 1.525 162 M HN 0.151 nan 8.290 nan 0.000 0.517 163 G N 0.089 108.774 108.800 -0.192 0.000 2.163 163 G HA2 -0.211 3.749 3.960 0.001 0.000 0.213 163 G HA3 -0.211 3.749 3.960 0.001 0.000 0.213 163 G C -0.266 174.449 174.900 -0.307 0.000 0.991 163 G CA -0.759 44.179 45.100 -0.270 0.000 0.653 163 G HN 0.340 nan 8.290 nan 0.000 0.518 164 F N 2.061 122.017 119.950 0.011 0.000 2.350 164 F HA 0.456 4.984 4.527 0.001 0.000 0.365 164 F C 1.036 176.848 175.800 0.020 0.000 1.122 164 F CA -1.106 56.892 58.000 -0.004 0.000 1.139 164 F CB 1.246 40.211 39.000 -0.059 0.000 1.220 164 F HN -0.103 nan 8.300 nan 0.000 0.499 165 D N 1.623 122.161 120.400 0.231 0.000 2.317 165 D HA -0.132 4.509 4.640 0.001 0.000 0.211 165 D C -0.223 176.232 176.300 0.258 0.000 0.966 165 D CA 1.202 55.326 54.000 0.208 0.000 0.876 165 D CB 0.090 41.017 40.800 0.212 0.000 0.927 165 D HN 0.436 nan 8.370 nan 0.000 0.519 166 Y N 0.508 120.876 120.300 0.114 0.000 2.425 166 Y HA 0.379 4.930 4.550 0.001 0.000 0.344 166 Y C -0.925 174.916 175.900 -0.098 0.000 0.969 166 Y CA -0.930 57.196 58.100 0.043 0.000 1.052 166 Y CB 1.632 40.159 38.460 0.112 0.000 1.215 166 Y HN -0.218 nan 8.280 nan 0.000 0.451 167 S N 5.958 121.347 115.700 -0.518 0.000 2.546 167 S HA 0.567 5.038 4.470 0.001 0.000 0.272 167 S C -2.175 172.139 174.600 -0.476 0.000 1.140 167 S CA -0.876 57.078 58.200 -0.411 0.000 0.920 167 S CB 1.702 64.743 63.200 -0.266 0.000 1.083 167 S HN 0.768 nan 8.310 nan 0.000 0.476 168 L N 2.934 123.962 121.223 -0.325 0.000 2.318 168 L HA 0.884 5.224 4.340 0.001 0.000 0.277 168 L C -0.404 176.336 176.870 -0.216 0.000 1.008 168 L CA -0.232 54.487 54.840 -0.202 0.000 0.846 168 L CB 0.749 42.729 42.059 -0.132 0.000 1.220 168 L HN 1.088 nan 8.230 nan 0.000 0.423 169 A N 3.823 126.505 122.820 -0.231 0.000 2.355 169 A HA 0.670 4.990 4.320 0.001 0.000 0.317 169 A C -0.978 176.247 177.584 -0.598 0.000 1.094 169 A CA -0.699 51.096 52.037 -0.403 0.000 0.764 169 A CB 1.023 19.842 19.000 -0.302 0.000 1.230 169 A HN 0.639 nan 8.150 nan 0.000 0.448 170 N N 1.329 119.411 118.700 -1.030 0.000 2.457 170 N HA 0.241 4.982 4.740 0.001 0.000 0.250 170 N C 1.141 176.303 175.510 -0.579 0.000 0.982 170 N CA 0.380 52.776 53.050 -1.091 0.000 0.941 170 N CB 1.288 38.820 38.487 -1.592 0.000 1.120 170 N HN 0.632 nan 8.380 nan 0.000 0.505 171 T N 0.309 114.635 114.554 -0.380 0.000 3.055 171 T HA 0.198 4.548 4.350 0.001 0.000 0.265 171 T C 0.910 175.482 174.700 -0.212 0.000 1.111 171 T CA 0.254 62.218 62.100 -0.228 0.000 1.118 171 T CB -0.035 68.748 68.868 -0.143 0.000 0.909 171 T HN 0.441 nan 8.240 nan 0.000 0.501 172 A N 0.669 123.276 122.820 -0.354 0.000 2.272 172 A HA 0.680 5.001 4.320 0.001 0.000 0.275 172 A C 1.726 178.895 177.584 -0.692 0.000 1.096 172 A CA -0.162 51.590 52.037 -0.474 0.000 0.822 172 A CB -0.021 18.584 19.000 -0.658 0.000 1.088 172 A HN 0.349 nan 8.150 nan 0.000 0.495 173 G N -1.332 106.912 108.800 -0.927 0.000 2.920 173 G HA2 0.383 4.344 3.960 0.001 0.000 0.208 173 G HA3 0.383 4.344 3.960 0.001 0.000 0.208 173 G C 0.031 174.581 174.900 -0.584 0.000 1.159 173 G CA 0.937 45.374 45.100 -1.105 0.000 0.784 173 G HN 1.007 nan 8.290 nan 0.000 0.535 174 F N -3.027 116.616 119.950 -0.510 0.000 2.719 174 F HA 0.629 5.156 4.527 0.001 0.000 0.309 174 F C -0.901 174.813 175.800 -0.142 0.000 1.138 174 F CA -1.797 55.960 58.000 -0.405 0.000 0.943 174 F CB 0.942 39.787 39.000 -0.258 0.000 1.304 174 F HN -0.191 nan 8.300 nan 0.000 0.445 175 V N 1.566 121.561 119.914 0.136 0.000 2.614 175 V HA 0.431 4.552 4.120 0.001 0.000 0.291 175 V C 0.037 176.292 176.094 0.268 0.000 1.049 175 V CA 0.152 62.574 62.300 0.203 0.000 1.038 175 V CB 1.244 33.217 31.823 0.249 0.000 0.980 175 V HN 0.901 nan 8.190 nan 0.000 0.481 176 T N 3.453 118.131 114.554 0.206 0.000 2.829 176 T HA 0.313 4.664 4.350 0.001 0.000 0.280 176 T C -0.686 174.121 174.700 0.179 0.000 0.999 176 T CA -0.340 61.900 62.100 0.233 0.000 0.983 176 T CB 1.245 70.197 68.868 0.140 0.000 0.968 176 T HN 0.767 nan 8.240 nan 0.000 0.446 177 D N 1.945 122.450 120.400 0.176 0.000 2.464 177 D HA 0.463 5.104 4.640 0.001 0.000 0.243 177 D C 1.058 177.381 176.300 0.040 0.000 1.104 177 D CA -0.710 53.342 54.000 0.086 0.000 0.883 177 D CB 1.169 42.014 40.800 0.075 0.000 1.050 177 D HN 0.511 nan 8.370 nan 0.000 0.524 178 A N 2.811 125.651 122.820 0.033 0.000 1.948 178 A HA -0.223 4.097 4.320 0.001 0.000 0.220 178 A C 2.090 179.654 177.584 -0.032 0.000 1.177 178 A CA 2.483 54.528 52.037 0.013 0.000 0.636 178 A CB -0.873 18.137 19.000 0.016 0.000 0.815 178 A HN 0.651 nan 8.150 nan 0.000 0.449 179 T N -1.867 112.658 114.554 -0.049 0.000 2.788 179 T HA -0.086 4.265 4.350 0.001 0.000 0.268 179 T C 1.781 176.399 174.700 -0.136 0.000 1.044 179 T CA 1.562 63.618 62.100 -0.073 0.000 1.139 179 T CB -0.457 68.373 68.868 -0.063 0.000 0.867 179 T HN 0.314 nan 8.240 nan 0.000 0.454 180 L N 0.637 121.722 121.223 -0.231 0.000 2.068 180 L HA 0.063 4.404 4.340 0.001 0.000 0.204 180 L C 2.749 179.321 176.870 -0.495 0.000 1.076 180 L CA 1.293 55.820 54.840 -0.521 0.000 0.753 180 L CB -0.494 40.975 42.059 -0.982 0.000 0.910 180 L HN 0.127 nan 8.230 nan 0.000 0.439 181 D N 0.429 120.671 120.400 -0.262 0.000 2.133 181 D HA -0.209 4.432 4.640 0.001 0.000 0.195 181 D C 1.538 177.820 176.300 -0.030 0.000 0.997 181 D CA 1.499 55.478 54.000 -0.035 0.000 0.840 181 D CB -0.315 40.529 40.800 0.072 0.000 0.947 181 D HN 0.398 nan 8.370 nan 0.000 0.452 182 N N -0.428 118.242 118.700 -0.050 0.000 2.280 182 N HA 0.217 4.957 4.740 0.001 0.000 0.192 182 N C 0.023 175.511 175.510 -0.036 0.000 1.109 182 N CA -0.196 52.838 53.050 -0.027 0.000 0.855 182 N CB 0.542 39.019 38.487 -0.017 0.000 0.974 182 N HN 0.022 nan 8.380 nan 0.000 0.482 183 A N 1.038 123.818 122.820 -0.068 0.000 2.498 183 A HA 0.053 4.374 4.320 0.001 0.000 0.239 183 A C 1.042 178.615 177.584 -0.018 0.000 1.068 183 A CA 0.193 52.200 52.037 -0.051 0.000 0.766 183 A CB 0.472 19.423 19.000 -0.081 0.000 1.003 183 A HN 0.206 nan 8.150 nan 0.000 0.497 184 K N 0.507 120.906 120.400 -0.001 0.000 2.211 184 K HA -0.024 4.297 4.320 0.001 0.000 0.201 184 K C 0.830 177.447 176.600 0.027 0.000 1.052 184 K CA 0.723 57.017 56.287 0.013 0.000 0.973 184 K CB 0.064 32.571 32.500 0.012 0.000 0.766 184 K HN 0.928 nan 8.250 nan 0.000 0.466 185 E N 1.892 122.114 120.200 0.036 0.000 2.404 185 E HA 0.028 4.378 4.350 0.001 0.000 0.261 185 E C -0.462 176.180 176.600 0.070 0.000 1.074 185 E CA 0.187 56.623 56.400 0.060 0.000 0.917 185 E CB 0.757 30.506 29.700 0.081 0.000 0.965 185 E HN -0.129 nan 8.360 nan 0.000 0.433 186 R N 2.317 122.868 120.500 0.084 0.000 2.574 186 R HA 0.427 4.768 4.340 0.001 0.000 0.288 186 R C -2.105 174.267 176.300 0.119 0.000 1.004 186 R CA -1.694 54.460 56.100 0.089 0.000 0.895 186 R CB 1.153 31.494 30.300 0.069 0.000 1.191 186 R HN 0.636 nan 8.270 nan 0.000 0.444 187 P HA 0.389 nan 4.420 nan 0.000 0.274 187 P C -0.730 176.608 177.300 0.064 0.000 1.256 187 P CA -0.625 62.522 63.100 0.079 0.000 0.795 187 P CB 1.063 32.780 31.700 0.029 0.000 1.038 188 R N -0.081 120.413 120.500 -0.010 0.000 2.460 188 R HA 0.494 4.834 4.340 0.001 0.000 0.303 188 R C -0.832 175.396 176.300 -0.119 0.000 0.968 188 R CA -0.390 55.721 56.100 0.019 0.000 0.889 188 R CB 0.912 31.222 30.300 0.016 0.000 1.123 188 R HN 0.472 nan 8.270 nan 0.000 0.455 189 Y N 0.293 120.676 120.300 0.138 0.000 2.364 189 Y HA 0.662 5.213 4.550 0.001 0.000 0.340 189 Y C 0.614 176.579 175.900 0.108 0.000 0.975 189 Y CA -0.507 57.686 58.100 0.155 0.000 1.089 189 Y CB 2.765 41.302 38.460 0.129 0.000 1.192 189 Y HN 0.800 nan 8.280 nan 0.000 0.454 190 G N 2.938 111.893 108.800 0.259 0.000 2.351 190 G HA2 0.292 4.253 3.960 0.001 0.000 0.296 190 G HA3 0.292 4.253 3.960 0.001 0.000 0.296 190 G C -1.634 173.384 174.900 0.197 0.000 1.685 190 G CA -1.203 44.011 45.100 0.190 0.000 0.936 190 G HN 0.200 nan 8.290 nan 0.000 0.714 191 M N 0.741 120.454 119.600 0.188 0.000 2.241 191 M HA 0.370 4.851 4.480 0.001 0.000 0.335 191 M C 0.679 177.000 176.300 0.035 0.000 1.122 191 M CA -0.826 54.527 55.300 0.089 0.000 1.164 191 M CB 1.233 33.832 32.600 -0.001 0.000 1.459 191 M HN 0.271 nan 8.290 nan 0.000 0.461 192 V N 3.733 123.593 119.914 -0.089 0.000 2.408 192 V HA 0.128 4.249 4.120 0.001 0.000 0.267 192 V C -0.855 175.053 176.094 -0.310 0.000 1.047 192 V CA -0.226 62.035 62.300 -0.064 0.000 0.937 192 V CB -0.483 31.341 31.823 0.003 0.000 0.999 192 V HN 0.563 nan 8.190 nan 0.000 0.472 193 Y N 6.018 126.284 120.300 -0.058 0.000 2.328 193 Y HA 0.418 4.968 4.550 0.001 0.000 0.337 193 Y C -2.156 173.621 175.900 -0.206 0.000 0.966 193 Y CA -2.997 55.011 58.100 -0.152 0.000 1.136 193 Y CB 1.711 40.068 38.460 -0.171 0.000 1.170 193 Y HN 0.493 nan 8.280 nan 0.000 0.470 194 P HA -0.004 nan 4.420 nan 0.000 0.263 194 P C -0.272 176.846 177.300 -0.302 0.000 1.195 194 P CA 0.250 63.161 63.100 -0.316 0.000 0.762 194 P CB 0.443 31.631 31.700 -0.853 0.000 0.799 195 T N -0.550 113.971 114.554 -0.055 0.000 2.932 195 T HA 0.607 4.958 4.350 0.001 0.000 0.289 195 T C 0.903 175.712 174.700 0.180 0.000 1.039 195 T CA -0.144 61.963 62.100 0.011 0.000 1.024 195 T CB 1.622 70.502 68.868 0.019 0.000 1.090 195 T HN 0.638 nan 8.240 nan 0.000 0.496 196 G N -0.031 108.871 108.800 0.170 0.000 2.176 196 G HA2 -0.193 3.768 3.960 0.001 0.000 0.253 196 G HA3 -0.193 3.768 3.960 0.001 0.000 0.253 196 G C -0.153 174.916 174.900 0.281 0.000 0.979 196 G CA -0.251 44.960 45.100 0.185 0.000 0.641 196 G HN 0.738 nan 8.290 nan 0.000 0.530 197 W N 0.220 121.539 121.300 0.031 0.000 2.150 197 W HA 0.684 5.345 4.660 0.001 0.000 0.341 197 W C 0.767 177.283 176.519 -0.005 0.000 1.276 197 W CA -0.644 56.714 57.345 0.022 0.000 1.238 197 W CB 0.309 29.834 29.460 0.108 0.000 1.128 197 W HN 0.078 nan 8.180 nan 0.000 0.581 198 L N 3.030 124.334 121.223 0.134 0.000 2.325 198 L HA 0.470 4.811 4.340 0.001 0.000 0.281 198 L C 0.282 177.141 176.870 -0.019 0.000 1.004 198 L CA -1.046 53.815 54.840 0.036 0.000 0.823 198 L CB 1.456 43.498 42.059 -0.028 0.000 1.236 198 L HN 0.287 nan 8.230 nan 0.000 0.415 199 R N 4.320 124.804 120.500 -0.026 0.000 2.198 199 R HA 0.212 4.553 4.340 0.001 0.000 0.339 199 R C -0.255 175.953 176.300 -0.154 0.000 1.020 199 R CA -0.357 55.669 56.100 -0.124 0.000 0.864 199 R CB 0.309 30.566 30.300 -0.072 0.000 1.105 199 R HN 0.672 nan 8.270 nan 0.000 0.463 200 N N 3.513 122.067 118.700 -0.244 0.000 2.705 200 N HA -0.215 4.525 4.740 0.001 0.000 0.255 200 N C 0.560 176.017 175.510 -0.088 0.000 1.008 200 N CA 1.485 54.428 53.050 -0.179 0.000 0.742 200 N CB -1.002 37.382 38.487 -0.172 0.000 0.906 200 N HN 1.092 nan 8.380 nan 0.000 0.541 201 G N -1.588 107.166 108.800 -0.078 0.000 2.205 201 G HA2 -0.324 3.637 3.960 0.001 0.000 0.261 201 G HA3 -0.324 3.637 3.960 0.001 0.000 0.261 201 G C -0.154 174.729 174.900 -0.028 0.000 0.980 201 G CA 0.555 45.628 45.100 -0.045 0.000 0.632 201 G HN 0.464 nan 8.290 nan 0.000 0.533 202 Q N 0.403 120.187 119.800 -0.026 0.000 2.309 202 Q HA 0.532 4.873 4.340 0.001 0.000 0.264 202 Q C -2.601 173.407 176.000 0.012 0.000 1.008 202 Q CA -2.153 53.646 55.803 -0.006 0.000 0.853 202 Q CB 1.846 30.581 28.738 -0.004 0.000 1.314 202 Q HN 0.176 nan 8.270 nan 0.000 0.448 203 P HA 0.054 nan 4.420 nan 0.000 0.269 203 P C -0.419 176.913 177.300 0.053 0.000 1.209 203 P CA 0.162 63.286 63.100 0.041 0.000 0.776 203 P CB 0.522 32.239 31.700 0.029 0.000 0.876 204 T N -0.464 114.138 114.554 0.080 0.000 2.932 204 T HA 0.695 5.046 4.350 0.001 0.000 0.289 204 T C -2.382 172.349 174.700 0.053 0.000 1.039 204 T CA -2.046 60.107 62.100 0.088 0.000 1.024 204 T CB 0.678 69.647 68.868 0.168 0.000 1.090 204 T HN 0.200 nan 8.240 nan 0.000 0.496 205 P HA 0.273 nan 4.420 nan 0.000 0.274 205 P C -0.189 177.072 177.300 -0.065 0.000 1.246 205 P CA -0.801 62.290 63.100 -0.016 0.000 0.795 205 P CB 0.630 32.316 31.700 -0.024 0.000 1.006 206 R N 0.744 121.187 120.500 -0.094 0.000 2.523 206 R HA 0.187 4.527 4.340 0.001 0.000 0.281 206 R C 0.129 176.271 176.300 -0.263 0.000 0.969 206 R CA -0.069 55.935 56.100 -0.161 0.000 1.093 206 R CB -0.228 29.997 30.300 -0.126 0.000 0.917 206 R HN 0.610 nan 8.270 nan 0.000 0.408 207 A N 3.606 126.143 122.820 -0.471 0.000 2.483 207 A HA -0.019 4.301 4.320 0.001 0.000 0.238 207 A C 0.549 177.939 177.584 -0.323 0.000 1.070 207 A CA 0.146 51.772 52.037 -0.686 0.000 0.770 207 A CB 0.231 18.394 19.000 -1.395 0.000 1.008 207 A HN 0.950 nan 8.150 nan 0.000 0.497 208 D N 0.587 120.848 120.400 -0.233 0.000 2.339 208 D HA 0.106 4.746 4.640 0.001 0.000 0.217 208 D C 0.131 176.447 176.300 0.027 0.000 1.050 208 D CA 0.491 54.396 54.000 -0.158 0.000 0.856 208 D CB 0.155 40.892 40.800 -0.105 0.000 0.922 208 D HN 0.463 nan 8.370 nan 0.000 0.518 209 K N -0.220 120.250 120.400 0.117 0.000 2.477 209 K HA 0.412 4.732 4.320 0.001 0.000 0.255 209 K C -0.174 176.501 176.600 0.124 0.000 0.952 209 K CA -0.804 55.618 56.287 0.226 0.000 0.826 209 K CB 2.763 35.361 32.500 0.163 0.000 1.331 209 K HN -0.116 nan 8.250 nan 0.000 0.437 210 M N 0.762 120.354 119.600 -0.014 0.000 2.219 210 M HA -0.032 4.449 4.480 0.001 0.000 0.307 210 M C 1.744 178.090 176.300 0.077 0.000 1.116 210 M CA 0.457 55.655 55.300 -0.170 0.000 1.181 210 M CB 0.681 33.139 32.600 -0.238 0.000 1.410 210 M HN 0.769 nan 8.290 nan 0.000 0.454 211 S N 1.495 117.241 115.700 0.077 0.000 2.365 211 S HA -0.159 4.311 4.470 0.001 0.000 0.225 211 S C 1.721 176.467 174.600 0.243 0.000 1.039 211 S CA 2.145 60.439 58.200 0.156 0.000 1.033 211 S CB -0.695 62.652 63.200 0.246 0.000 0.887 211 S HN 0.934 nan 8.310 nan 0.000 0.447 212 G N 0.377 109.287 108.800 0.184 0.000 2.446 212 G HA2 -0.209 3.752 3.960 0.001 0.000 0.217 212 G HA3 -0.209 3.752 3.960 0.001 0.000 0.217 212 G C 1.353 176.276 174.900 0.040 0.000 1.168 212 G CA 0.997 46.069 45.100 -0.047 0.000 0.771 212 G HN 0.642 nan 8.290 nan 0.000 0.551 213 E N -0.961 119.287 120.200 0.080 0.000 2.106 213 E HA -0.100 4.251 4.350 0.001 0.000 0.192 213 E C 2.109 178.832 176.600 0.205 0.000 0.984 213 E CA 0.524 57.019 56.400 0.158 0.000 0.806 213 E CB -0.199 29.646 29.700 0.242 0.000 0.750 213 E HN 0.474 nan 8.360 nan 0.000 0.458 214 Y N 1.130 121.447 120.300 0.030 0.000 2.145 214 Y HA -0.242 4.309 4.550 0.001 0.000 0.286 214 Y C 2.047 177.951 175.900 0.006 0.000 1.145 214 Y CA 0.940 59.011 58.100 -0.048 0.000 1.148 214 Y CB -0.526 37.784 38.460 -0.249 0.000 0.981 214 Y HN -0.168 nan 8.280 nan 0.000 0.507 215 V N 0.032 119.994 119.914 0.079 0.000 2.244 215 V HA -0.301 3.819 4.120 0.001 0.000 0.244 215 V C 2.646 178.733 176.094 -0.011 0.000 1.042 215 V CA 2.275 64.569 62.300 -0.010 0.000 1.006 215 V CB -1.338 30.482 31.823 -0.005 0.000 0.641 215 V HN 0.581 nan 8.190 nan 0.000 0.446 216 S N -0.184 115.596 115.700 0.134 0.000 2.382 216 S HA -0.218 4.253 4.470 0.001 0.000 0.228 216 S C 2.054 176.694 174.600 0.067 0.000 1.027 216 S CA 1.811 60.088 58.200 0.128 0.000 0.991 216 S CB -0.676 62.635 63.200 0.184 0.000 0.823 216 S HN 0.486 nan 8.310 nan 0.000 0.469 217 S N 1.753 117.499 115.700 0.076 0.000 2.368 217 S HA -0.101 4.369 4.470 0.001 0.000 0.225 217 S C 1.936 176.563 174.600 0.045 0.000 1.030 217 S CA 1.506 59.748 58.200 0.070 0.000 0.999 217 S CB -0.535 62.726 63.200 0.102 0.000 0.844 217 S HN 0.695 nan 8.310 nan 0.000 0.459 218 E N 1.073 121.279 120.200 0.009 0.000 2.085 218 E HA -0.114 4.236 4.350 0.001 0.000 0.194 218 E C 1.894 178.505 176.600 0.019 0.000 0.994 218 E CA 1.117 57.522 56.400 0.007 0.000 0.801 218 E CB -0.315 29.346 29.700 -0.065 0.000 0.743 218 E HN 0.256 nan 8.360 nan 0.000 0.453 219 V N -0.428 119.468 119.914 -0.030 0.000 2.295 219 V HA -0.252 3.869 4.120 0.001 0.000 0.246 219 V C 2.336 178.449 176.094 0.032 0.000 1.049 219 V CA 1.640 63.916 62.300 -0.040 0.000 1.024 219 V CB -0.459 31.314 31.823 -0.083 0.000 0.648 219 V HN 0.193 nan 8.190 nan 0.000 0.447 220 V N 0.605 120.536 119.914 0.028 0.000 2.295 220 V HA -0.226 3.895 4.120 0.001 0.000 0.246 220 V C 2.341 178.443 176.094 0.014 0.000 1.049 220 V CA 2.158 64.472 62.300 0.024 0.000 1.024 220 V CB -0.835 31.007 31.823 0.031 0.000 0.648 220 V HN 0.570 nan 8.190 nan 0.000 0.447 221 N N -1.068 117.649 118.700 0.028 0.000 2.120 221 N HA -0.220 4.520 4.740 0.001 0.000 0.188 221 N C 1.401 176.898 175.510 -0.021 0.000 1.024 221 N CA 1.659 54.715 53.050 0.011 0.000 0.852 221 N CB -0.496 38.013 38.487 0.038 0.000 1.003 221 N HN 0.711 nan 8.380 nan 0.000 0.424 222 W N 1.593 122.765 121.300 -0.215 0.000 2.381 222 W HA 0.039 4.699 4.660 0.001 0.000 0.301 222 W C 1.793 178.133 176.519 -0.298 0.000 1.205 222 W CA 0.837 57.974 57.345 -0.347 0.000 1.285 222 W CB -0.311 28.867 29.460 -0.470 0.000 1.133 222 W HN -0.025 nan 8.180 nan 0.000 0.521 223 L N 0.241 121.432 121.223 -0.054 0.000 2.141 223 L HA -0.203 4.137 4.340 0.001 0.000 0.209 223 L C 2.095 178.812 176.870 -0.256 0.000 1.094 223 L CA 1.336 56.037 54.840 -0.231 0.000 0.763 223 L CB -0.727 41.252 42.059 -0.133 0.000 0.908 223 L HN -0.083 nan 8.230 nan 0.000 0.437 224 D N 0.109 120.402 120.400 -0.179 0.000 2.103 224 D HA -0.131 4.509 4.640 0.001 0.000 0.199 224 D C 1.718 177.896 176.300 -0.203 0.000 0.978 224 D CA 1.249 55.159 54.000 -0.151 0.000 0.829 224 D CB -0.211 40.536 40.800 -0.089 0.000 0.981 224 D HN 0.404 nan 8.370 nan 0.000 0.464 225 N N 0.483 119.027 118.700 -0.259 0.000 2.494 225 N HA -0.047 4.693 4.740 0.001 0.000 0.182 225 N C 0.329 175.623 175.510 -0.359 0.000 1.076 225 N CA 0.007 52.900 53.050 -0.263 0.000 0.908 225 N CB 0.272 38.625 38.487 -0.224 0.000 0.967 225 N HN 0.266 nan 8.380 nan 0.000 0.449 226 K N 1.845 121.928 120.400 -0.528 0.000 2.326 226 K HA 0.088 4.409 4.320 0.001 0.000 0.275 226 K C 0.520 176.936 176.600 -0.306 0.000 1.018 226 K CA -0.213 55.747 56.287 -0.545 0.000 0.962 226 K CB 0.907 32.900 32.500 -0.846 0.000 0.953 226 K HN 0.045 nan 8.250 nan 0.000 0.475 227 K N 1.268 121.533 120.400 -0.225 0.000 2.329 227 K HA 0.077 4.398 4.320 0.001 0.000 0.198 227 K C -0.476 176.063 176.600 -0.101 0.000 1.085 227 K CA -0.121 56.084 56.287 -0.137 0.000 0.961 227 K CB 0.008 32.447 32.500 -0.102 0.000 0.971 227 K HN 0.517 nan 8.250 nan 0.000 0.502 228 D N 2.270 122.611 120.400 -0.097 0.000 2.360 228 D HA 0.011 4.651 4.640 0.001 0.000 0.242 228 D C 0.302 176.576 176.300 -0.044 0.000 1.184 228 D CA 0.135 54.101 54.000 -0.057 0.000 0.930 228 D CB 1.233 42.010 40.800 -0.039 0.000 1.161 228 D HN 0.241 nan 8.370 nan 0.000 0.447 229 S N -0.537 115.149 115.700 -0.023 0.000 2.573 229 S HA 0.157 4.627 4.470 0.001 0.000 0.244 229 S C 0.251 174.844 174.600 -0.012 0.000 0.984 229 S CA -0.612 57.584 58.200 -0.007 0.000 1.001 229 S CB -0.235 62.962 63.200 -0.005 0.000 0.788 229 S HN 0.196 nan 8.310 nan 0.000 0.456 230 K N 3.177 123.568 120.400 -0.014 0.000 2.295 230 K HA 0.281 4.602 4.320 0.001 0.000 0.270 230 K C -2.376 174.191 176.600 -0.056 0.000 1.011 230 K CA -1.693 54.568 56.287 -0.044 0.000 0.953 230 K CB 0.173 32.666 32.500 -0.012 0.000 0.956 230 K HN 0.255 nan 8.250 nan 0.000 0.477 231 P HA 0.001 nan 4.420 nan 0.000 0.272 231 P C -0.957 176.233 177.300 -0.183 0.000 1.223 231 P CA -0.054 62.802 63.100 -0.407 0.000 0.784 231 P CB 0.310 31.428 31.700 -0.970 0.000 0.923 232 F N 0.123 120.129 119.950 0.094 0.000 2.538 232 F HA 0.712 5.240 4.527 0.001 0.000 0.325 232 F C -1.182 174.950 175.800 0.553 0.000 1.066 232 F CA -1.684 56.538 58.000 0.370 0.000 0.946 232 F CB 1.406 40.675 39.000 0.448 0.000 1.199 232 F HN 0.203 nan 8.300 nan 0.000 0.473 233 F N 4.073 124.350 119.950 0.545 0.000 2.460 233 F HA 0.662 5.190 4.527 0.001 0.000 0.341 233 F C -1.851 174.130 175.800 0.302 0.000 1.130 233 F CA -0.976 57.223 58.000 0.331 0.000 0.962 233 F CB 1.046 40.132 39.000 0.143 0.000 1.171 233 F HN 0.476 nan 8.300 nan 0.000 0.436 234 L N 7.100 128.373 121.223 0.082 0.000 2.287 234 L HA 0.290 4.630 4.340 0.001 0.000 0.287 234 L C -1.278 175.345 176.870 -0.412 0.000 1.022 234 L CA -1.054 53.620 54.840 -0.275 0.000 0.814 234 L CB 1.296 43.312 42.059 -0.073 0.000 1.217 234 L HN 0.583 nan 8.230 nan 0.000 0.420 235 Y N 4.505 124.349 120.300 -0.761 0.000 2.434 235 Y HA 0.438 4.988 4.550 0.001 0.000 0.341 235 Y C -0.584 175.029 175.900 -0.477 0.000 0.965 235 Y CA -1.008 56.770 58.100 -0.538 0.000 1.205 235 Y CB 1.015 39.149 38.460 -0.544 0.000 1.121 235 Y HN 0.210 nan 8.280 nan 0.000 0.507 236 V N 6.631 126.200 119.914 -0.574 0.000 2.288 236 V HA 0.487 4.608 4.120 0.001 0.000 0.266 236 V C 0.256 175.838 176.094 -0.854 0.000 1.048 236 V CA -0.457 61.421 62.300 -0.703 0.000 0.842 236 V CB 0.351 31.841 31.823 -0.554 0.000 1.064 236 V HN 0.908 nan 8.190 nan 0.000 0.472 237 A N 5.674 127.932 122.820 -0.937 0.000 2.880 237 A HA 0.630 4.951 4.320 0.001 0.000 0.328 237 A C -0.143 177.183 177.584 -0.430 0.000 1.440 237 A CA -0.411 51.181 52.037 -0.741 0.000 1.068 237 A CB -0.422 18.074 19.000 -0.841 0.000 1.163 237 A HN 0.609 nan 8.150 nan 0.000 0.510 238 F N 0.957 120.796 119.950 -0.186 0.000 2.602 238 F HA 0.051 4.579 4.527 0.001 0.000 0.367 238 F C 2.207 177.983 175.800 -0.040 0.000 1.126 238 F CA 1.140 59.092 58.000 -0.080 0.000 1.321 238 F CB 0.993 39.962 39.000 -0.052 0.000 1.094 238 F HN 0.637 nan 8.300 nan 0.000 0.594 239 T N -1.400 113.302 114.554 0.246 0.000 3.043 239 T HA 0.019 4.369 4.350 0.001 0.000 0.263 239 T C 0.431 175.242 174.700 0.185 0.000 1.094 239 T CA 0.062 62.263 62.100 0.168 0.000 1.127 239 T CB -0.273 68.715 68.868 0.199 0.000 0.905 239 T HN 0.396 nan 8.240 nan 0.000 0.490 240 E N 1.833 122.131 120.200 0.165 0.000 2.413 240 E HA 0.272 4.623 4.350 0.001 0.000 0.263 240 E C 0.732 177.388 176.600 0.093 0.000 1.015 240 E CA 0.118 56.570 56.400 0.086 0.000 0.916 240 E CB 1.154 30.835 29.700 -0.031 0.000 0.947 240 E HN 0.332 nan 8.360 nan 0.000 0.440 241 V N 0.484 120.444 119.914 0.076 0.000 3.170 241 V HA 0.148 4.268 4.120 0.001 0.000 0.354 241 V C 0.497 176.674 176.094 0.138 0.000 1.350 241 V CA -0.505 61.807 62.300 0.021 0.000 1.244 241 V CB -0.684 31.022 31.823 -0.195 0.000 1.222 241 V HN 0.587 nan 8.190 nan 0.000 0.478 242 H N 2.587 121.717 119.070 0.102 0.000 2.897 242 H HA 0.255 4.812 4.556 0.001 0.000 0.347 242 H C 0.784 176.167 175.328 0.091 0.000 1.068 242 H CA 1.093 57.219 56.048 0.131 0.000 1.426 242 H CB 1.718 31.558 29.762 0.130 0.000 1.410 242 H HN 0.706 nan 8.280 nan 0.000 0.597 243 S N 5.785 121.598 115.700 0.189 0.000 2.563 243 S HA 0.104 4.575 4.470 0.001 0.000 0.284 243 S C -2.524 172.125 174.600 0.082 0.000 1.331 243 S CA -1.231 57.022 58.200 0.089 0.000 1.047 243 S CB 0.678 63.954 63.200 0.126 0.000 0.859 243 S HN 0.517 nan 8.310 nan 0.000 0.514 244 P HA 0.282 nan 4.420 nan 0.000 0.281 244 P C -0.328 176.809 177.300 -0.270 0.000 1.252 244 P CA -0.604 62.025 63.100 -0.785 0.000 0.778 244 P CB 0.513 31.450 31.700 -1.271 0.000 0.895 245 L N 2.239 123.376 121.223 -0.144 0.000 2.461 245 L HA 0.426 4.766 4.340 0.001 0.000 0.272 245 L C 0.812 177.661 176.870 -0.034 0.000 1.197 245 L CA 0.020 54.856 54.840 -0.006 0.000 0.836 245 L CB 0.046 42.169 42.059 0.106 0.000 1.105 245 L HN 0.476 nan 8.230 nan 0.000 0.477 246 A N 2.367 125.164 122.820 -0.038 0.000 2.497 246 A HA 0.656 4.977 4.320 0.001 0.000 0.280 246 A C -0.786 176.666 177.584 -0.220 0.000 1.065 246 A CA -0.379 51.594 52.037 -0.108 0.000 0.781 246 A CB 1.404 20.314 19.000 -0.149 0.000 1.289 246 A HN 0.552 nan 8.150 nan 0.000 0.415 247 S N 2.845 118.393 115.700 -0.254 0.000 2.541 247 S HA 0.786 5.256 4.470 0.001 0.000 0.280 247 S C -2.927 171.505 174.600 -0.280 0.000 1.112 247 S CA -1.012 56.912 58.200 -0.459 0.000 0.925 247 S CB 1.995 65.075 63.200 -0.200 0.000 1.067 247 S HN 0.545 nan 8.310 nan 0.000 0.479 248 P HA 0.233 nan 4.420 nan 0.000 0.272 248 P C 0.642 177.972 177.300 0.049 0.000 1.230 248 P CA -0.428 62.648 63.100 -0.040 0.000 0.788 248 P CB 0.560 32.296 31.700 0.060 0.000 0.949 249 K N 2.176 122.584 120.400 0.013 0.000 2.113 249 K HA -0.260 4.061 4.320 0.001 0.000 0.208 249 K C 1.849 178.424 176.600 -0.041 0.000 1.047 249 K CA 1.748 58.035 56.287 0.000 0.000 0.928 249 K CB -0.175 32.320 32.500 -0.008 0.000 0.716 249 K HN 0.269 nan 8.250 nan 0.000 0.446 250 K N -0.371 119.952 120.400 -0.129 0.000 2.089 250 K HA -0.231 4.090 4.320 0.001 0.000 0.210 250 K C 1.774 178.174 176.600 -0.334 0.000 1.048 250 K CA 2.031 58.136 56.287 -0.303 0.000 0.926 250 K CB -0.178 32.006 32.500 -0.526 0.000 0.714 250 K HN 0.268 nan 8.250 nan 0.000 0.448 251 Y N 0.479 120.781 120.300 0.004 0.000 2.314 251 Y HA 0.002 4.552 4.550 0.001 0.000 0.294 251 Y C 2.064 178.033 175.900 0.116 0.000 1.119 251 Y CA 0.476 58.612 58.100 0.060 0.000 1.179 251 Y CB -0.152 38.361 38.460 0.088 0.000 1.025 251 Y HN -0.054 nan 8.280 nan 0.000 0.541 252 L N -0.134 121.214 121.223 0.208 0.000 2.042 252 L HA -0.239 4.102 4.340 0.001 0.000 0.210 252 L C 1.762 178.699 176.870 0.112 0.000 1.076 252 L CA 1.377 56.321 54.840 0.172 0.000 0.749 252 L CB -0.475 41.646 42.059 0.103 0.000 0.893 252 L HN 0.187 nan 8.230 nan 0.000 0.432 253 D N -0.157 120.256 120.400 0.022 0.000 2.178 253 D HA -0.178 4.463 4.640 0.001 0.000 0.201 253 D C 2.313 178.564 176.300 -0.082 0.000 0.980 253 D CA 1.184 55.168 54.000 -0.027 0.000 0.842 253 D CB -0.123 40.642 40.800 -0.060 0.000 0.948 253 D HN 0.322 nan 8.370 nan 0.000 0.472 254 M N -0.664 118.823 119.600 -0.190 0.000 2.267 254 M HA -0.199 4.282 4.480 0.001 0.000 0.263 254 M C 0.528 176.478 176.300 -0.582 0.000 1.063 254 M CA 1.359 56.371 55.300 -0.480 0.000 1.090 254 M CB -0.017 32.104 32.600 -0.799 0.000 1.392 254 M HN 0.068 nan 8.290 nan 0.000 0.422 255 Y N -2.128 118.282 120.300 0.184 0.000 2.716 255 Y HA 0.262 4.812 4.550 0.001 0.000 0.260 255 Y C 1.819 177.858 175.900 0.233 0.000 1.141 255 Y CA -0.372 57.914 58.100 0.310 0.000 1.168 255 Y CB -0.383 38.277 38.460 0.332 0.000 1.189 255 Y HN 0.056 nan 8.280 nan 0.000 0.549 256 S N 0.404 116.209 115.700 0.176 0.000 2.374 256 S HA -0.309 4.161 4.470 0.001 0.000 0.227 256 S C 2.174 176.794 174.600 0.033 0.000 1.037 256 S CA 2.194 60.443 58.200 0.082 0.000 1.024 256 S CB -0.056 63.157 63.200 0.023 0.000 0.861 256 S HN 0.715 nan 8.310 nan 0.000 0.456 257 Q N -1.180 118.604 119.800 -0.026 0.000 2.234 257 Q HA -0.154 4.187 4.340 0.001 0.000 0.206 257 Q C 0.683 176.476 176.000 -0.344 0.000 0.980 257 Q CA 1.554 57.209 55.803 -0.246 0.000 0.869 257 Q CB -0.114 28.354 28.738 -0.451 0.000 0.912 257 Q HN 0.826 nan 8.270 nan 0.000 0.436 258 Y N -0.765 119.599 120.300 0.106 0.000 2.493 258 Y HA 0.220 4.771 4.550 0.001 0.000 0.275 258 Y C 0.127 175.974 175.900 -0.089 0.000 1.183 258 Y CA -0.337 57.793 58.100 0.050 0.000 1.258 258 Y CB 0.544 39.081 38.460 0.128 0.000 1.108 258 Y HN 0.045 nan 8.280 nan 0.000 0.521 259 M N 0.567 120.179 119.600 0.020 0.000 2.264 259 M HA 0.261 4.741 4.480 0.001 0.000 0.352 259 M C 0.579 176.826 176.300 -0.089 0.000 1.173 259 M CA -0.556 54.702 55.300 -0.070 0.000 1.075 259 M CB 1.204 33.793 32.600 -0.019 0.000 1.621 259 M HN 0.179 nan 8.290 nan 0.000 0.457 260 S N 1.708 117.319 115.700 -0.149 0.000 2.600 260 S HA 0.437 4.908 4.470 0.001 0.000 0.265 260 S C 1.255 175.863 174.600 0.013 0.000 1.325 260 S CA -0.105 58.061 58.200 -0.056 0.000 1.002 260 S CB 0.736 63.901 63.200 -0.058 0.000 0.921 260 S HN 0.739 nan 8.310 nan 0.000 0.554 261 A N 1.062 123.918 122.820 0.060 0.000 1.908 261 A HA -0.093 4.228 4.320 0.001 0.000 0.218 261 A C 1.955 179.600 177.584 0.101 0.000 1.181 261 A CA 1.851 53.930 52.037 0.069 0.000 0.627 261 A CB -1.504 17.545 19.000 0.082 0.000 0.818 261 A HN 1.043 nan 8.150 nan 0.000 0.445 262 Y N -0.021 120.304 120.300 0.042 0.000 2.181 262 Y HA -0.233 4.317 4.550 0.001 0.000 0.288 262 Y C 2.692 178.658 175.900 0.109 0.000 1.146 262 Y CA 2.287 60.445 58.100 0.096 0.000 1.164 262 Y CB -0.194 38.284 38.460 0.030 0.000 0.982 262 Y HN 0.393 nan 8.280 nan 0.000 0.515 263 Q N 1.080 120.940 119.800 0.100 0.000 2.061 263 Q HA -0.244 4.097 4.340 0.001 0.000 0.204 263 Q C 2.021 178.010 176.000 -0.019 0.000 0.984 263 Q CA 2.106 57.912 55.803 0.005 0.000 0.846 263 Q CB -0.208 28.485 28.738 -0.075 0.000 0.902 263 Q HN 0.517 nan 8.270 nan 0.000 0.421 264 K N -0.037 120.348 120.400 -0.025 0.000 2.097 264 K HA -0.194 4.126 4.320 0.001 0.000 0.206 264 K C 2.114 178.663 176.600 -0.086 0.000 1.049 264 K CA 1.431 57.695 56.287 -0.038 0.000 0.933 264 K CB -0.030 32.453 32.500 -0.028 0.000 0.717 264 K HN 0.063 nan 8.250 nan 0.000 0.442 265 Q N 0.149 119.867 119.800 -0.137 0.000 2.245 265 Q HA -0.064 4.276 4.340 0.001 0.000 0.201 265 Q C -0.025 175.648 176.000 -0.545 0.000 0.955 265 Q CA 1.381 56.998 55.803 -0.311 0.000 0.870 265 Q CB 0.422 28.983 28.738 -0.294 0.000 0.945 265 Q HN 0.378 nan 8.270 nan 0.000 0.461 266 H N -0.354 118.587 119.070 -0.215 0.000 2.386 266 H HA 0.227 4.783 4.556 0.001 0.000 0.232 266 H C -1.967 173.415 175.328 0.090 0.000 1.416 266 H CA -1.455 54.572 56.048 -0.036 0.000 1.285 266 H CB 1.188 30.846 29.762 -0.173 0.000 1.625 266 H HN 0.266 nan 8.280 nan 0.000 0.521 267 P HA -0.108 nan 4.420 nan 0.000 0.219 267 P C 0.853 178.286 177.300 0.222 0.000 1.150 267 P CA 1.144 64.326 63.100 0.136 0.000 0.814 267 P CB 0.373 32.117 31.700 0.074 0.000 0.787 268 D N -0.719 119.862 120.400 0.301 0.000 2.427 268 D HA 0.056 4.697 4.640 0.001 0.000 0.224 268 D C 0.533 177.063 176.300 0.383 0.000 1.157 268 D CA -0.729 53.467 54.000 0.327 0.000 0.828 268 D CB -0.854 40.114 40.800 0.281 0.000 0.974 268 D HN 0.070 nan 8.370 nan 0.000 0.498 269 L N 1.355 122.800 121.223 0.371 0.000 2.513 269 L HA 0.192 4.532 4.340 0.001 0.000 0.272 269 L C -0.325 176.781 176.870 0.393 0.000 1.187 269 L CA -0.373 54.551 54.840 0.139 0.000 0.895 269 L CB 0.016 42.208 42.059 0.221 0.000 1.147 269 L HN -0.040 nan 8.230 nan 0.000 0.483 270 F N 6.054 126.009 119.950 0.009 0.000 2.495 270 F HA 0.118 4.645 4.527 0.001 0.000 0.365 270 F C 0.950 176.564 175.800 -0.309 0.000 1.090 270 F CA -0.183 57.794 58.000 -0.038 0.000 1.235 270 F CB 0.359 39.333 39.000 -0.044 0.000 1.119 270 F HN 0.676 nan 8.300 nan 0.000 0.562 271 Y N 3.627 122.997 120.300 -1.551 0.000 2.384 271 Y HA 0.021 4.572 4.550 0.001 0.000 0.289 271 Y C 1.782 176.829 175.900 -1.422 0.000 1.152 271 Y CA 0.828 57.532 58.100 -2.326 0.000 1.258 271 Y CB -0.658 36.575 38.460 -2.045 0.000 0.979 271 Y HN 0.622 nan 8.280 nan 0.000 0.549 272 G N 0.314 108.026 108.800 -1.813 0.000 2.559 272 G HA2 -0.168 3.792 3.960 0.001 0.000 0.216 272 G HA3 -0.168 3.792 3.960 0.001 0.000 0.216 272 G C 0.649 175.305 174.900 -0.407 0.000 1.126 272 G CA 0.890 45.380 45.100 -1.016 0.000 0.778 272 G HN 0.494 nan 8.290 nan 0.000 0.543 273 D N -1.184 119.044 120.400 -0.287 0.000 2.538 273 D HA 0.101 4.741 4.640 0.001 0.000 0.231 273 D C 0.733 177.133 176.300 0.167 0.000 1.229 273 D CA -0.488 53.505 54.000 -0.011 0.000 0.828 273 D CB 0.076 40.917 40.800 0.068 0.000 1.035 273 D HN 0.313 nan 8.370 nan 0.000 0.495 274 W N 1.449 122.679 121.300 -0.118 0.000 2.863 274 W HA 0.278 4.938 4.660 0.001 0.000 0.258 274 W C 2.153 178.627 176.519 -0.076 0.000 1.298 274 W CA -0.458 56.843 57.345 -0.072 0.000 1.451 274 W CB -0.707 28.725 29.460 -0.047 0.000 1.107 274 W HN 0.018 nan 8.180 nan 0.000 0.641 275 A N 1.043 123.933 122.820 0.115 0.000 2.024 275 A HA -0.199 4.122 4.320 0.001 0.000 0.220 275 A C 1.480 179.072 177.584 0.013 0.000 1.164 275 A CA 2.242 54.304 52.037 0.042 0.000 0.643 275 A CB -0.592 18.404 19.000 -0.006 0.000 0.806 275 A HN 0.288 nan 8.150 nan 0.000 0.451 276 D N -1.866 118.538 120.400 0.007 0.000 2.501 276 D HA 0.129 4.770 4.640 0.001 0.000 0.224 276 D C -0.130 176.126 176.300 -0.074 0.000 1.202 276 D CA -0.131 53.853 54.000 -0.026 0.000 0.829 276 D CB 0.155 40.947 40.800 -0.013 0.000 1.023 276 D HN 0.076 nan 8.370 nan 0.000 0.499 277 K N 1.077 121.412 120.400 -0.109 0.000 2.221 277 K HA 0.535 4.856 4.320 0.001 0.000 0.243 277 K C -2.516 173.862 176.600 -0.371 0.000 0.968 277 K CA -1.863 54.244 56.287 -0.300 0.000 0.846 277 K CB 0.795 33.127 32.500 -0.280 0.000 1.141 277 K HN -0.084 nan 8.250 nan 0.000 0.434 278 P HA -0.028 nan 4.420 nan 0.000 0.269 278 P C -0.497 176.685 177.300 -0.198 0.000 1.217 278 P CA -0.266 62.602 63.100 -0.388 0.000 0.783 278 P CB 0.328 31.720 31.700 -0.513 0.000 0.898 279 W N 2.580 123.747 121.300 -0.221 0.000 2.231 279 W HA 0.029 4.690 4.660 0.001 0.000 0.341 279 W C 1.039 177.468 176.519 -0.150 0.000 1.298 279 W CA 0.065 57.303 57.345 -0.177 0.000 1.266 279 W CB 0.262 29.652 29.460 -0.115 0.000 1.172 279 W HN 0.372 nan 8.180 nan 0.000 0.568 280 R N 3.768 123.888 120.500 -0.634 0.000 2.334 280 R HA 0.275 4.615 4.340 0.001 0.000 0.216 280 R C 1.126 176.909 176.300 -0.862 0.000 0.905 280 R CA 0.520 56.251 56.100 -0.616 0.000 1.064 280 R CB -0.105 29.809 30.300 -0.643 0.000 1.046 280 R HN 0.807 nan 8.270 nan 0.000 0.508 281 G N 0.397 108.106 108.800 -1.819 0.000 2.642 281 G HA2 -0.308 3.652 3.960 0.001 0.000 0.231 281 G HA3 -0.308 3.652 3.960 0.001 0.000 0.231 281 G C 0.390 174.636 174.900 -1.090 0.000 1.338 281 G CA -0.202 43.804 45.100 -1.823 0.000 0.883 281 G HN 0.236 nan 8.290 nan 0.000 0.570 282 V N -2.316 117.235 119.914 -0.605 0.000 3.605 282 V HA 0.599 4.719 4.120 0.001 0.000 0.284 282 V C 2.303 177.973 176.094 -0.706 0.000 1.386 282 V CA 1.576 63.553 62.300 -0.538 0.000 1.053 282 V CB 0.051 31.609 31.823 -0.440 0.000 0.857 282 V HN 2.040 nan 8.190 nan 0.000 0.436 283 G N 0.980 109.557 108.800 -0.373 0.000 2.418 283 G HA2 -0.187 3.773 3.960 0.001 0.000 0.217 283 G HA3 -0.187 3.773 3.960 0.001 0.000 0.217 283 G C 1.325 176.165 174.900 -0.101 0.000 1.158 283 G CA 1.146 46.156 45.100 -0.150 0.000 0.771 283 G HN 0.598 nan 8.290 nan 0.000 0.545 284 E N -0.674 119.473 120.200 -0.089 0.000 2.077 284 E HA -0.170 4.180 4.350 0.001 0.000 0.193 284 E C 2.092 178.704 176.600 0.021 0.000 0.989 284 E CA 0.917 57.321 56.400 0.007 0.000 0.800 284 E CB -0.263 29.457 29.700 0.032 0.000 0.746 284 E HN 0.547 nan 8.360 nan 0.000 0.452 285 Y N 0.509 120.716 120.300 -0.155 0.000 2.128 285 Y HA -0.315 4.235 4.550 0.001 0.000 0.284 285 Y C 2.025 177.888 175.900 -0.061 0.000 1.154 285 Y CA 1.695 59.735 58.100 -0.100 0.000 1.149 285 Y CB -0.243 38.140 38.460 -0.128 0.000 0.976 285 Y HN 0.071 nan 8.280 nan 0.000 0.505 286 Y N -0.537 119.641 120.300 -0.202 0.000 2.181 286 Y HA -0.175 4.376 4.550 0.001 0.000 0.288 286 Y C 2.667 178.267 175.900 -0.500 0.000 1.146 286 Y CA 0.505 58.242 58.100 -0.605 0.000 1.164 286 Y CB -1.675 36.048 38.460 -1.227 0.000 0.982 286 Y HN 0.222 nan 8.280 nan 0.000 0.515 287 A N 0.343 123.142 122.820 -0.035 0.000 1.892 287 A HA -0.272 4.049 4.320 0.001 0.000 0.218 287 A C 2.326 179.965 177.584 0.092 0.000 1.188 287 A CA 2.012 54.215 52.037 0.277 0.000 0.631 287 A CB -1.031 18.139 19.000 0.284 0.000 0.822 287 A HN 0.585 nan 8.150 nan 0.000 0.447 288 N N -0.401 118.278 118.700 -0.035 0.000 2.244 288 N HA -0.090 4.651 4.740 0.001 0.000 0.183 288 N C 1.768 177.195 175.510 -0.139 0.000 1.016 288 N CA 1.277 54.283 53.050 -0.073 0.000 0.866 288 N CB -0.155 38.269 38.487 -0.104 0.000 0.980 288 N HN 0.561 nan 8.380 nan 0.000 0.430 289 I N 0.482 120.917 120.570 -0.225 0.000 2.179 289 I HA -0.225 3.945 4.170 0.001 0.000 0.242 289 I C 2.235 178.268 176.117 -0.140 0.000 1.088 289 I CA 0.882 62.050 61.300 -0.221 0.000 1.357 289 I CB -0.250 37.585 38.000 -0.274 0.000 1.051 289 I HN 0.058 nan 8.210 nan 0.000 0.409 290 S N -0.224 115.453 115.700 -0.037 0.000 2.402 290 S HA -0.203 4.267 4.470 0.001 0.000 0.229 290 S C 1.926 176.432 174.600 -0.156 0.000 1.021 290 S CA 1.027 59.257 58.200 0.050 0.000 0.974 290 S CB -0.411 63.000 63.200 0.352 0.000 0.800 290 S HN 0.397 nan 8.310 nan 0.000 0.484 291 Y N 2.467 122.428 120.300 -0.566 0.000 2.114 291 Y HA -0.122 4.428 4.550 0.001 0.000 0.284 291 Y C 2.110 177.695 175.900 -0.524 0.000 1.143 291 Y CA 1.097 58.657 58.100 -0.900 0.000 1.135 291 Y CB -0.907 37.125 38.460 -0.713 0.000 0.980 291 Y HN 0.209 nan 8.280 nan 0.000 0.499 292 L N 0.844 121.786 121.223 -0.467 0.000 2.013 292 L HA -0.241 4.099 4.340 0.001 0.000 0.212 292 L C 2.048 178.610 176.870 -0.513 0.000 1.073 292 L CA 2.702 57.191 54.840 -0.584 0.000 0.753 292 L CB -1.324 40.525 42.059 -0.351 0.000 0.890 292 L HN 0.375 nan 8.230 nan 0.000 0.432 293 D N -0.821 119.388 120.400 -0.318 0.000 2.123 293 D HA -0.228 4.413 4.640 0.001 0.000 0.196 293 D C 2.082 178.258 176.300 -0.207 0.000 0.992 293 D CA 1.562 55.419 54.000 -0.238 0.000 0.833 293 D CB -0.093 40.623 40.800 -0.141 0.000 0.954 293 D HN 0.521 nan 8.370 nan 0.000 0.455 294 A N -0.228 122.478 122.820 -0.189 0.000 1.930 294 A HA -0.175 4.146 4.320 0.001 0.000 0.217 294 A C 2.136 179.624 177.584 -0.159 0.000 1.175 294 A CA 1.213 53.195 52.037 -0.091 0.000 0.627 294 A CB -0.441 18.591 19.000 0.054 0.000 0.815 294 A HN 0.224 nan 8.150 nan 0.000 0.443 295 Q N -0.311 119.273 119.800 -0.361 0.000 2.123 295 Q HA -0.032 4.308 4.340 0.001 0.000 0.199 295 Q C 2.275 178.195 176.000 -0.134 0.000 0.966 295 Q CA 1.334 56.941 55.803 -0.326 0.000 0.845 295 Q CB -1.002 27.350 28.738 -0.643 0.000 0.907 295 Q HN 0.461 nan 8.270 nan 0.000 0.439 296 V N 0.895 120.660 119.914 -0.249 0.000 2.295 296 V HA -0.205 3.916 4.120 0.001 0.000 0.246 296 V C 2.321 178.422 176.094 0.011 0.000 1.049 296 V CA 2.040 64.335 62.300 -0.008 0.000 1.024 296 V CB -1.308 30.448 31.823 -0.112 0.000 0.648 296 V HN 0.447 nan 8.190 nan 0.000 0.447 297 G N -0.372 108.399 108.800 -0.048 0.000 2.440 297 G HA2 -0.362 3.598 3.960 0.001 0.000 0.218 297 G HA3 -0.362 3.598 3.960 0.001 0.000 0.218 297 G C 1.630 176.545 174.900 0.024 0.000 1.154 297 G CA 1.290 46.382 45.100 -0.012 0.000 0.767 297 G HN 0.519 nan 8.290 nan 0.000 0.552 298 K N -0.074 120.344 120.400 0.030 0.000 2.026 298 K HA -0.047 4.274 4.320 0.001 0.000 0.208 298 K C 2.586 179.227 176.600 0.069 0.000 1.048 298 K CA 1.398 57.715 56.287 0.051 0.000 0.929 298 K CB -0.288 32.244 32.500 0.053 0.000 0.713 298 K HN 0.176 nan 8.250 nan 0.000 0.439 299 V N 1.743 121.716 119.914 0.097 0.000 2.261 299 V HA -0.270 3.851 4.120 0.001 0.000 0.246 299 V C 2.358 178.510 176.094 0.098 0.000 1.047 299 V CA 1.793 64.155 62.300 0.103 0.000 1.015 299 V CB -0.438 31.471 31.823 0.144 0.000 0.642 299 V HN 0.339 nan 8.190 nan 0.000 0.446 300 L N -0.170 121.110 121.223 0.095 0.000 2.042 300 L HA -0.205 4.135 4.340 0.001 0.000 0.210 300 L C 2.394 179.310 176.870 0.076 0.000 1.076 300 L CA 1.611 56.504 54.840 0.089 0.000 0.749 300 L CB -0.830 41.269 42.059 0.065 0.000 0.893 300 L HN 0.349 nan 8.230 nan 0.000 0.432 301 D N 0.018 120.454 120.400 0.060 0.000 2.144 301 D HA -0.200 4.440 4.640 0.001 0.000 0.199 301 D C 2.115 178.448 176.300 0.056 0.000 0.984 301 D CA 1.142 55.173 54.000 0.051 0.000 0.834 301 D CB -0.020 40.806 40.800 0.042 0.000 0.955 301 D HN 0.082 nan 8.370 nan 0.000 0.465 302 K N 0.650 121.085 120.400 0.059 0.000 2.057 302 K HA -0.061 4.260 4.320 0.001 0.000 0.206 302 K C 1.912 178.553 176.600 0.068 0.000 1.050 302 K CA 0.613 56.931 56.287 0.051 0.000 0.935 302 K CB -0.287 32.237 32.500 0.041 0.000 0.715 302 K HN -0.006 nan 8.250 nan 0.000 0.439 303 I N 1.434 122.065 120.570 0.102 0.000 2.163 303 I HA -0.283 3.888 4.170 0.001 0.000 0.243 303 I C 2.308 178.502 176.117 0.128 0.000 1.085 303 I CA 1.586 62.978 61.300 0.153 0.000 1.347 303 I CB -1.075 37.042 38.000 0.196 0.000 1.044 303 I HN 0.336 nan 8.210 nan 0.000 0.408 304 K N 1.001 121.460 120.400 0.099 0.000 2.057 304 K HA -0.093 4.228 4.320 0.001 0.000 0.206 304 K C 2.199 178.839 176.600 0.066 0.000 1.050 304 K CA 1.379 57.715 56.287 0.081 0.000 0.935 304 K CB 0.040 32.580 32.500 0.066 0.000 0.715 304 K HN 0.244 nan 8.250 nan 0.000 0.439 305 A N 1.830 124.684 122.820 0.056 0.000 1.969 305 A HA -0.132 4.188 4.320 0.001 0.000 0.218 305 A C 2.034 179.642 177.584 0.040 0.000 1.169 305 A CA 1.576 53.639 52.037 0.042 0.000 0.635 305 A CB -0.533 18.487 19.000 0.034 0.000 0.810 305 A HN 0.593 nan 8.150 nan 0.000 0.445 306 M N -2.528 117.102 119.600 0.050 0.000 2.618 306 M HA 0.363 4.844 4.480 0.001 0.000 0.240 306 M C 1.092 177.430 176.300 0.062 0.000 1.123 306 M CA 1.058 56.385 55.300 0.046 0.000 1.060 306 M CB -0.067 32.557 32.600 0.039 0.000 1.535 306 M HN 0.697 nan 8.290 nan 0.000 0.507 307 G N 1.043 109.884 108.800 0.070 0.000 2.132 307 G HA2 -0.178 3.782 3.960 0.001 0.000 0.234 307 G HA3 -0.178 3.782 3.960 0.001 0.000 0.234 307 G C 0.174 175.130 174.900 0.093 0.000 0.989 307 G CA 0.245 45.387 45.100 0.070 0.000 0.676 307 G HN 0.563 nan 8.290 nan 0.000 0.522 308 E N -0.236 120.039 120.200 0.126 0.000 2.465 308 E HA 0.129 4.480 4.350 0.001 0.000 0.195 308 E C 1.649 178.339 176.600 0.151 0.000 1.028 308 E CA 0.276 56.770 56.400 0.156 0.000 0.899 308 E CB 0.352 30.200 29.700 0.247 0.000 1.032 308 E HN 0.793 nan 8.360 nan 0.000 0.468 309 E N 1.149 121.425 120.200 0.127 0.000 2.077 309 E HA -0.192 4.158 4.350 0.001 0.000 0.193 309 E C 0.972 177.654 176.600 0.136 0.000 0.989 309 E CA 1.053 57.529 56.400 0.126 0.000 0.800 309 E CB 0.266 30.025 29.700 0.098 0.000 0.746 309 E HN 0.073 nan 8.360 nan 0.000 0.452 310 D N -0.066 120.407 120.400 0.123 0.000 2.269 310 D HA -0.089 4.551 4.640 0.001 0.000 0.208 310 D C 0.961 177.354 176.300 0.155 0.000 0.963 310 D CA 0.692 54.774 54.000 0.135 0.000 0.864 310 D CB -0.062 40.805 40.800 0.113 0.000 0.936 310 D HN 0.077 nan 8.370 nan 0.000 0.505 311 N N -0.375 118.426 118.700 0.169 0.000 2.275 311 N HA 0.038 4.779 4.740 0.001 0.000 0.236 311 N C -1.290 174.333 175.510 0.189 0.000 1.154 311 N CA 0.048 53.221 53.050 0.205 0.000 0.866 311 N CB 0.645 39.208 38.487 0.128 0.000 1.093 311 N HN -0.208 nan 8.380 nan 0.000 0.515 312 T N 0.626 115.309 114.554 0.214 0.000 2.809 312 T HA 0.443 4.794 4.350 0.001 0.000 0.284 312 T C 0.157 174.913 174.700 0.093 0.000 0.992 312 T CA -0.460 61.684 62.100 0.073 0.000 0.957 312 T CB 1.257 70.183 68.868 0.096 0.000 0.942 312 T HN -0.006 nan 8.240 nan 0.000 0.439 313 I N 3.248 123.710 120.570 -0.179 0.000 2.396 313 I HA 0.277 4.448 4.170 0.001 0.000 0.289 313 I C -0.181 175.922 176.117 -0.024 0.000 1.056 313 I CA -0.504 60.687 61.300 -0.181 0.000 1.365 313 I CB 0.699 38.468 38.000 -0.385 0.000 1.407 313 I HN 0.237 nan 8.210 nan 0.000 0.509 314 V N 8.202 128.146 119.914 0.050 0.000 2.384 314 V HA 0.430 4.550 4.120 0.001 0.000 0.287 314 V C 0.034 176.151 176.094 0.038 0.000 1.020 314 V CA -0.440 61.906 62.300 0.076 0.000 0.850 314 V CB 1.581 33.479 31.823 0.125 0.000 0.987 314 V HN 0.472 nan 8.190 nan 0.000 0.436 315 I N 5.508 126.060 120.570 -0.030 0.000 2.362 315 I HA 0.432 4.603 4.170 0.001 0.000 0.289 315 I C -0.829 175.292 176.117 0.006 0.000 0.994 315 I CA -0.377 60.839 61.300 -0.139 0.000 1.158 315 I CB 1.519 39.180 38.000 -0.564 0.000 1.315 315 I HN 0.546 nan 8.210 nan 0.000 0.451 316 F N 6.716 126.643 119.950 -0.038 0.000 2.426 316 F HA 0.678 5.206 4.527 0.001 0.000 0.348 316 F C -0.015 175.789 175.800 0.007 0.000 1.124 316 F CA 0.113 58.122 58.000 0.014 0.000 1.008 316 F CB 1.390 40.424 39.000 0.056 0.000 1.139 316 F HN 0.451 nan 8.300 nan 0.000 0.452 317 T N 3.031 117.114 114.554 -0.784 0.000 2.647 317 T HA 0.576 4.927 4.350 0.001 0.000 0.295 317 T C -1.593 172.787 174.700 -0.534 0.000 1.126 317 T CA -0.514 61.265 62.100 -0.535 0.000 1.040 317 T CB 1.514 70.261 68.868 -0.202 0.000 1.472 317 T HN 0.654 nan 8.240 nan 0.000 0.500 318 S N -0.473 115.137 115.700 -0.151 0.000 2.568 318 S HA 0.490 4.961 4.470 0.001 0.000 0.293 318 S C 0.144 174.821 174.600 0.129 0.000 1.089 318 S CA -0.246 57.937 58.200 -0.027 0.000 0.945 318 S CB 1.505 64.718 63.200 0.022 0.000 1.077 318 S HN 0.811 nan 8.310 nan 0.000 0.485 319 D N 1.723 122.208 120.400 0.140 0.000 2.305 319 D HA 0.066 4.707 4.640 0.001 0.000 0.206 319 D C 0.342 176.757 176.300 0.191 0.000 0.974 319 D CA 0.603 54.715 54.000 0.186 0.000 0.871 319 D CB -0.333 40.578 40.800 0.184 0.000 0.947 319 D HN 0.690 nan 8.370 nan 0.000 0.516 320 N N -1.294 117.512 118.700 0.178 0.000 3.185 320 N HA 0.248 4.988 4.740 0.001 0.000 0.238 320 N C 0.095 175.698 175.510 0.155 0.000 1.451 320 N CA -0.611 52.537 53.050 0.164 0.000 0.888 320 N CB 0.762 39.345 38.487 0.160 0.000 1.413 320 N HN -0.005 nan 8.380 nan 0.000 0.511 321 G N -0.044 108.839 108.800 0.138 0.000 2.732 321 G HA2 0.318 4.279 3.960 0.001 0.000 0.244 321 G HA3 0.318 4.279 3.960 0.001 0.000 0.244 321 G C -2.372 172.615 174.900 0.145 0.000 1.226 321 G CA -0.398 44.785 45.100 0.137 0.000 0.860 321 G HN 0.531 nan 8.290 nan 0.000 0.583 322 P HA 0.299 nan 4.420 nan 0.000 0.280 322 P C -0.479 176.891 177.300 0.115 0.000 1.272 322 P CA -0.538 62.659 63.100 0.161 0.000 0.819 322 P CB 1.483 33.297 31.700 0.189 0.000 1.122 323 V N 1.411 121.386 119.914 0.102 0.000 2.432 323 V HA 0.198 4.318 4.120 0.001 0.000 0.271 323 V C 1.389 177.469 176.094 -0.024 0.000 1.046 323 V CA 0.153 62.485 62.300 0.053 0.000 0.945 323 V CB 0.167 32.024 31.823 0.057 0.000 0.992 323 V HN 0.784 nan 8.190 nan 0.000 0.471 324 T N 2.862 117.405 114.554 -0.018 0.000 2.920 324 T HA 0.310 4.660 4.350 0.001 0.000 0.292 324 T C 1.194 175.860 174.700 -0.057 0.000 1.093 324 T CA -0.515 61.551 62.100 -0.057 0.000 0.944 324 T CB 0.602 69.466 68.868 -0.007 0.000 1.605 324 T HN 0.430 nan 8.240 nan 0.000 0.590 325 R N 0.450 120.929 120.500 -0.035 0.000 2.241 325 R HA 0.033 4.374 4.340 0.001 0.000 0.224 325 R C 1.268 177.560 176.300 -0.014 0.000 1.101 325 R CA 0.762 56.859 56.100 -0.005 0.000 0.995 325 R CB -0.244 30.051 30.300 -0.009 0.000 0.870 325 R HN 0.677 nan 8.270 nan 0.000 0.463 326 E N 1.645 121.837 120.200 -0.013 0.000 1.842 326 E HA 0.144 4.494 4.350 0.001 0.000 0.278 326 E C -0.956 175.645 176.600 0.002 0.000 1.171 326 E CA -0.481 55.914 56.400 -0.008 0.000 1.127 326 E CB 0.176 29.878 29.700 0.004 0.000 1.100 326 E HN 0.220 nan 8.360 nan 0.000 0.456 327 A N 3.544 126.361 122.820 -0.004 0.000 2.409 327 A HA 0.195 4.516 4.320 0.001 0.000 0.262 327 A C 0.652 178.219 177.584 -0.028 0.000 1.113 327 A CA -0.227 51.804 52.037 -0.010 0.000 0.790 327 A CB 0.508 19.509 19.000 0.002 0.000 1.046 327 A HN 0.737 nan 8.150 nan 0.000 0.496 328 R N 0.503 120.975 120.500 -0.046 0.000 2.404 328 R HA 0.165 4.506 4.340 0.001 0.000 0.237 328 R C -0.363 175.865 176.300 -0.120 0.000 0.907 328 R CA 0.316 56.388 56.100 -0.047 0.000 1.063 328 R CB 0.437 30.740 30.300 0.005 0.000 1.134 328 R HN 0.564 nan 8.270 nan 0.000 0.529 329 K N -0.183 120.073 120.400 -0.241 0.000 2.536 329 K HA 0.135 4.455 4.320 0.001 0.000 0.269 329 K C 0.181 176.500 176.600 -0.469 0.000 0.965 329 K CA -0.552 55.450 56.287 -0.474 0.000 0.860 329 K CB 1.945 33.834 32.500 -1.018 0.000 1.423 329 K HN -0.261 nan 8.250 nan 0.000 0.438 330 V N 1.616 121.277 119.914 -0.421 0.000 2.720 330 V HA -0.211 3.909 4.120 0.001 0.000 0.256 330 V C 1.238 177.219 176.094 -0.188 0.000 1.082 330 V CA 1.788 63.952 62.300 -0.227 0.000 1.101 330 V CB -0.524 31.211 31.823 -0.147 0.000 0.693 330 V HN 0.691 nan 8.190 nan 0.000 0.479 331 Y N -0.904 119.344 120.300 -0.087 0.000 2.466 331 Y HA 0.397 4.948 4.550 0.001 0.000 0.272 331 Y C 1.762 177.712 175.900 0.082 0.000 1.169 331 Y CA -0.035 58.032 58.100 -0.056 0.000 1.285 331 Y CB -0.543 37.861 38.460 -0.093 0.000 1.078 331 Y HN 0.309 nan 8.280 nan 0.000 0.523 332 E N 1.014 121.200 120.200 -0.022 0.000 2.476 332 E HA 0.210 4.560 4.350 0.001 0.000 0.196 332 E C -0.101 176.577 176.600 0.130 0.000 1.029 332 E CA -0.187 56.252 56.400 0.066 0.000 0.896 332 E CB 0.286 29.959 29.700 -0.045 0.000 1.012 332 E HN 0.430 nan 8.360 nan 0.000 0.475 333 L N 1.488 122.832 121.223 0.202 0.000 2.439 333 L HA 0.106 4.446 4.340 0.001 0.000 0.269 333 L C 0.574 177.654 176.870 0.349 0.000 1.179 333 L CA -0.303 54.692 54.840 0.259 0.000 0.828 333 L CB 0.213 42.460 42.059 0.315 0.000 1.106 333 L HN 0.171 nan 8.230 nan 0.000 0.467 334 N N 1.334 120.160 118.700 0.211 0.000 2.754 334 N HA -0.173 4.568 4.740 0.001 0.000 0.248 334 N C -0.899 174.659 175.510 0.080 0.000 1.093 334 N CA 0.731 53.820 53.050 0.065 0.000 0.699 334 N CB -1.160 37.134 38.487 -0.322 0.000 1.016 334 N HN 0.437 nan 8.380 nan 0.000 0.552 335 L N -1.006 120.270 121.223 0.088 0.000 2.304 335 L HA 0.795 5.136 4.340 0.001 0.000 0.268 335 L C 0.898 177.607 176.870 -0.269 0.000 1.010 335 L CA -0.599 54.207 54.840 -0.057 0.000 0.813 335 L CB 1.740 43.805 42.059 0.009 0.000 1.315 335 L HN 0.066 nan 8.230 nan 0.000 0.445 336 A N 0.430 122.756 122.820 -0.824 0.000 2.602 336 A HA 0.445 4.765 4.320 0.001 0.000 0.238 336 A C 0.330 177.540 177.584 -0.624 0.000 0.863 336 A CA -0.030 51.678 52.037 -0.548 0.000 1.148 336 A CB -0.085 18.732 19.000 -0.306 0.000 1.227 336 A HN 0.743 nan 8.150 nan 0.000 0.460 337 G N 0.207 108.551 108.800 -0.761 0.000 2.484 337 G HA2 0.431 4.391 3.960 0.001 0.000 0.235 337 G HA3 0.431 4.391 3.960 0.001 0.000 0.235 337 G C -0.287 174.646 174.900 0.055 0.000 1.282 337 G CA 0.166 45.166 45.100 -0.166 0.000 0.857 337 G HN 0.313 nan 8.290 nan 0.000 0.571 338 E N -0.096 120.219 120.200 0.192 0.000 2.256 338 E HA 0.334 4.685 4.350 0.001 0.000 0.267 338 E C 0.409 177.117 176.600 0.180 0.000 0.892 338 E CA -0.575 55.926 56.400 0.168 0.000 0.775 338 E CB 1.839 31.657 29.700 0.196 0.000 1.207 338 E HN 0.551 nan 8.360 nan 0.000 0.420 339 T N -2.024 112.628 114.554 0.164 0.000 3.132 339 T HA 0.117 4.467 4.350 0.001 0.000 0.274 339 T C 0.336 175.207 174.700 0.285 0.000 1.011 339 T CA -0.116 62.112 62.100 0.214 0.000 0.899 339 T CB -0.048 68.906 68.868 0.144 0.000 1.089 339 T HN 0.489 nan 8.240 nan 0.000 0.543 340 D N 0.955 121.498 120.400 0.238 0.000 2.772 340 D HA -0.137 4.504 4.640 0.001 0.000 0.233 340 D C 1.340 177.789 176.300 0.248 0.000 1.143 340 D CA 1.724 55.871 54.000 0.245 0.000 0.700 340 D CB -1.497 39.528 40.800 0.375 0.000 1.076 340 D HN 0.991 nan 8.370 nan 0.000 0.430 341 G N -1.690 107.221 108.800 0.185 0.000 2.234 341 G HA2 -0.338 3.623 3.960 0.001 0.000 0.260 341 G HA3 -0.338 3.623 3.960 0.001 0.000 0.260 341 G C 0.553 175.620 174.900 0.279 0.000 0.987 341 G CA 0.300 45.518 45.100 0.198 0.000 0.625 341 G HN 0.612 nan 8.290 nan 0.000 0.532 342 L N 0.725 122.068 121.223 0.200 0.000 2.483 342 L HA 0.270 4.611 4.340 0.001 0.000 0.276 342 L C 1.458 178.343 176.870 0.025 0.000 1.213 342 L CA -0.474 54.413 54.840 0.077 0.000 0.843 342 L CB 0.408 42.449 42.059 -0.029 0.000 1.107 342 L HN 0.305 nan 8.230 nan 0.000 0.487 343 R N 1.673 122.133 120.500 -0.068 0.000 2.537 343 R HA 0.389 4.730 4.340 0.001 0.000 0.280 343 R C 0.395 176.669 176.300 -0.043 0.000 1.058 343 R CA 0.911 56.889 56.100 -0.202 0.000 1.057 343 R CB 0.384 30.354 30.300 -0.550 0.000 0.973 343 R HN 0.873 nan 8.270 nan 0.000 0.438 344 G N 2.388 111.172 108.800 -0.027 0.000 2.698 344 G HA2 -0.255 3.706 3.960 0.001 0.000 0.225 344 G HA3 -0.255 3.706 3.960 0.001 0.000 0.225 344 G C -1.076 173.904 174.900 0.133 0.000 1.345 344 G CA -0.027 45.185 45.100 0.188 0.000 0.871 344 G HN 0.878 nan 8.290 nan 0.000 0.540 345 R N -1.533 119.061 120.500 0.156 0.000 3.014 345 R HA 0.754 5.095 4.340 0.001 0.000 0.262 345 R C 0.166 176.538 176.300 0.121 0.000 1.066 345 R CA -0.521 55.650 56.100 0.119 0.000 0.939 345 R CB 0.466 30.823 30.300 0.095 0.000 1.372 345 R HN 0.714 nan 8.270 nan 0.000 0.431 346 K N 0.560 121.029 120.400 0.115 0.000 2.569 346 K HA -0.137 4.183 4.320 0.001 0.000 0.280 346 K C -0.636 176.033 176.600 0.116 0.000 0.984 346 K CA 1.862 58.220 56.287 0.119 0.000 1.064 346 K CB 0.006 32.581 32.500 0.126 0.000 0.866 346 K HN 0.738 nan 8.250 nan 0.000 0.492 347 D N 0.409 120.871 120.400 0.103 0.000 1.931 347 D HA -0.180 4.460 4.640 0.001 0.000 0.201 347 D C -0.701 175.616 176.300 0.029 0.000 1.305 347 D CA 1.367 55.413 54.000 0.077 0.000 1.398 347 D CB -1.074 39.785 40.800 0.098 0.000 1.389 347 D HN 0.708 nan 8.370 nan 0.000 0.614 348 N N 0.344 119.074 118.700 0.049 0.000 2.509 348 N HA 0.530 5.271 4.740 0.001 0.000 0.287 348 N C 0.930 176.411 175.510 -0.048 0.000 1.121 348 N CA -0.392 52.664 53.050 0.009 0.000 0.977 348 N CB 1.276 39.871 38.487 0.180 0.000 1.167 348 N HN -0.002 nan 8.380 nan 0.000 0.476 349 L N 0.208 121.321 121.223 -0.184 0.000 2.567 349 L HA 0.225 4.565 4.340 0.001 0.000 0.225 349 L C 0.452 177.228 176.870 -0.156 0.000 1.119 349 L CA -0.148 54.578 54.840 -0.190 0.000 0.871 349 L CB 0.058 42.000 42.059 -0.195 0.000 1.036 349 L HN 0.482 nan 8.230 nan 0.000 0.459 350 W N 1.223 122.486 121.300 -0.063 0.000 2.124 350 W HA -0.046 4.615 4.660 0.001 0.000 0.356 350 W C 1.675 178.123 176.519 -0.118 0.000 1.302 350 W CA -0.350 56.933 57.345 -0.104 0.000 1.293 350 W CB 0.286 29.670 29.460 -0.128 0.000 1.199 350 W HN 0.086 nan 8.180 nan 0.000 0.606 351 E N 1.225 121.497 120.200 0.119 0.000 2.114 351 E HA -0.181 4.170 4.350 0.001 0.000 0.199 351 E C 2.167 178.769 176.600 0.003 0.000 1.008 351 E CA 1.938 58.352 56.400 0.023 0.000 0.810 351 E CB -0.771 28.895 29.700 -0.055 0.000 0.739 351 E HN 0.694 nan 8.360 nan 0.000 0.456 352 G N 0.271 109.093 108.800 0.037 0.000 2.498 352 G HA2 -0.157 3.803 3.960 0.001 0.000 0.219 352 G HA3 -0.157 3.803 3.960 0.001 0.000 0.219 352 G C 1.529 176.479 174.900 0.083 0.000 1.119 352 G CA 0.889 46.023 45.100 0.056 0.000 0.766 352 G HN 0.394 nan 8.290 nan 0.000 0.552 353 G N 0.736 109.588 108.800 0.087 0.000 2.539 353 G HA2 0.124 4.084 3.960 0.001 0.000 0.215 353 G HA3 0.124 4.084 3.960 0.001 0.000 0.215 353 G C 1.626 176.559 174.900 0.055 0.000 1.141 353 G CA 0.843 45.990 45.100 0.079 0.000 0.806 353 G HN 0.595 nan 8.290 nan 0.000 0.533 354 I N -3.325 117.256 120.570 0.018 0.000 4.032 354 I HA 0.460 4.630 4.170 0.001 0.000 0.313 354 I C 1.054 177.227 176.117 0.093 0.000 1.272 354 I CA -0.466 60.846 61.300 0.020 0.000 1.307 354 I CB 0.364 38.225 38.000 -0.231 0.000 1.155 354 I HN -0.218 nan 8.210 nan 0.000 0.431 355 R N 3.010 123.504 120.500 -0.010 0.000 2.347 355 R HA 0.463 4.804 4.340 0.001 0.000 0.304 355 R C -0.749 175.534 176.300 -0.029 0.000 1.072 355 R CA 0.020 55.940 56.100 -0.299 0.000 0.980 355 R CB 1.023 30.922 30.300 -0.668 0.000 0.986 355 R HN 0.350 nan 8.270 nan 0.000 0.448 356 V N 1.722 121.722 119.914 0.144 0.000 3.159 356 V HA 0.663 4.784 4.120 0.001 0.000 0.308 356 V C -2.668 173.591 176.094 0.275 0.000 1.190 356 V CA -2.609 59.847 62.300 0.260 0.000 1.037 356 V CB 2.056 34.024 31.823 0.243 0.000 1.060 356 V HN 0.674 nan 8.190 nan 0.000 0.437 357 P HA 0.493 nan 4.420 nan 0.000 0.269 357 P C -0.596 176.745 177.300 0.069 0.000 1.215 357 P CA 0.288 63.214 63.100 -0.291 0.000 0.780 357 P CB 1.192 32.590 31.700 -0.503 0.000 0.898 358 A N 2.833 125.811 122.820 0.264 0.000 2.513 358 A HA 0.691 5.012 4.320 0.001 0.000 0.296 358 A C -1.145 176.731 177.584 0.487 0.000 1.052 358 A CA -0.497 51.642 52.037 0.169 0.000 0.714 358 A CB 0.848 19.599 19.000 -0.415 0.000 1.279 358 A HN 0.395 nan 8.150 nan 0.000 0.397 359 I N 2.579 123.406 120.570 0.428 0.000 2.533 359 I HA 0.502 4.672 4.170 0.001 0.000 0.290 359 I C -0.705 175.600 176.117 0.315 0.000 1.056 359 I CA -0.412 61.106 61.300 0.363 0.000 1.057 359 I CB 2.100 40.274 38.000 0.289 0.000 1.240 359 I HN 0.702 nan 8.210 nan 0.000 0.423 360 I N 6.427 127.188 120.570 0.319 0.000 2.441 360 I HA 0.469 4.640 4.170 0.001 0.000 0.295 360 I C -0.924 175.300 176.117 0.180 0.000 0.994 360 I CA -0.374 61.076 61.300 0.250 0.000 1.144 360 I CB 1.241 39.472 38.000 0.385 0.000 1.314 360 I HN 0.570 nan 8.210 nan 0.000 0.445 361 K N 6.367 126.864 120.400 0.160 0.000 2.468 361 K HA 0.305 4.626 4.320 0.001 0.000 0.252 361 K C -2.153 174.585 176.600 0.230 0.000 0.932 361 K CA -0.614 55.773 56.287 0.166 0.000 0.794 361 K CB 1.961 34.539 32.500 0.130 0.000 1.241 361 K HN 0.570 nan 8.250 nan 0.000 0.428 362 Y N 3.874 124.217 120.300 0.072 0.000 2.609 362 Y HA 0.279 4.830 4.550 0.001 0.000 0.350 362 Y C 0.216 176.173 175.900 0.095 0.000 1.050 362 Y CA -0.051 58.069 58.100 0.034 0.000 1.290 362 Y CB 0.415 38.869 38.460 -0.011 0.000 1.094 362 Y HN 0.993 nan 8.280 nan 0.000 0.583 363 G N 4.882 113.795 108.800 0.189 0.000 2.672 363 G HA2 -0.378 3.583 3.960 0.001 0.000 0.324 363 G HA3 -0.378 3.583 3.960 0.001 0.000 0.324 363 G C 0.716 175.669 174.900 0.088 0.000 1.286 363 G CA 0.824 45.999 45.100 0.125 0.000 1.004 363 G HN 0.580 nan 8.290 nan 0.000 0.548 364 K N 0.683 121.117 120.400 0.056 0.000 2.440 364 K HA 0.213 4.534 4.320 0.001 0.000 0.206 364 K C 1.484 178.044 176.600 -0.067 0.000 1.025 364 K CA -0.003 56.277 56.287 -0.011 0.000 1.135 364 K CB 0.139 32.612 32.500 -0.046 0.000 0.856 364 K HN 0.622 nan 8.250 nan 0.000 0.502 365 H N 0.120 119.061 119.070 -0.214 0.000 2.495 365 H HA 0.067 4.624 4.556 0.001 0.000 0.287 365 H C 0.514 175.796 175.328 -0.077 0.000 1.033 365 H CA 0.633 56.534 56.048 -0.245 0.000 1.307 365 H CB 0.413 29.799 29.762 -0.627 0.000 1.401 365 H HN 0.049 nan 8.280 nan 0.000 0.555 366 L N 1.636 122.920 121.223 0.102 0.000 2.333 366 L HA 0.343 4.684 4.340 0.001 0.000 0.269 366 L C -2.263 174.641 176.870 0.057 0.000 1.010 366 L CA -2.391 52.512 54.840 0.105 0.000 0.818 366 L CB 1.765 43.916 42.059 0.153 0.000 1.306 366 L HN -0.168 nan 8.230 nan 0.000 0.430 367 P HA -0.006 nan 4.420 nan 0.000 0.261 367 P C -1.281 176.027 177.300 0.013 0.000 1.183 367 P CA 0.139 63.251 63.100 0.020 0.000 0.761 367 P CB 0.377 32.086 31.700 0.015 0.000 0.785 368 Q N 1.593 121.397 119.800 0.006 0.000 2.257 368 Q HA 0.435 4.775 4.340 0.001 0.000 0.255 368 Q C 1.105 177.098 176.000 -0.010 0.000 0.920 368 Q CA -0.181 55.624 55.803 0.003 0.000 0.927 368 Q CB 1.136 29.878 28.738 0.007 0.000 1.229 368 Q HN 0.817 nan 8.270 nan 0.000 0.433 369 G N 2.432 111.220 108.800 -0.019 0.000 2.143 369 G HA2 -0.298 3.663 3.960 0.001 0.000 0.249 369 G HA3 -0.298 3.663 3.960 0.001 0.000 0.249 369 G C 0.116 174.989 174.900 -0.046 0.000 0.981 369 G CA 0.116 45.197 45.100 -0.033 0.000 0.665 369 G HN 0.586 nan 8.290 nan 0.000 0.528 370 M N 1.057 120.627 119.600 -0.051 0.000 2.239 370 M HA 0.476 4.956 4.480 0.001 0.000 0.348 370 M C -0.120 176.116 176.300 -0.105 0.000 1.239 370 M CA 0.203 55.464 55.300 -0.065 0.000 1.114 370 M CB 0.783 33.346 32.600 -0.061 0.000 1.641 370 M HN 0.005 nan 8.290 nan 0.000 0.453 371 V N 4.326 124.186 119.914 -0.090 0.000 2.409 371 V HA 0.381 4.502 4.120 0.001 0.000 0.291 371 V C -0.366 175.687 176.094 -0.067 0.000 1.020 371 V CA -0.598 61.642 62.300 -0.101 0.000 0.848 371 V CB 1.569 33.344 31.823 -0.080 0.000 0.990 371 V HN 0.885 nan 8.190 nan 0.000 0.430 372 S N 2.513 118.163 115.700 -0.082 0.000 2.454 372 S HA 0.439 4.910 4.470 0.001 0.000 0.306 372 S C 0.180 174.871 174.600 0.152 0.000 1.100 372 S CA -0.625 57.593 58.200 0.031 0.000 1.087 372 S CB 1.217 64.437 63.200 0.034 0.000 1.019 372 S HN 0.919 nan 8.310 nan 0.000 0.480 373 D N 2.698 123.183 120.400 0.141 0.000 2.424 373 D HA 0.104 4.744 4.640 0.001 0.000 0.220 373 D C -0.061 176.337 176.300 0.164 0.000 1.150 373 D CA -0.192 53.902 54.000 0.156 0.000 0.831 373 D CB -0.256 40.605 40.800 0.102 0.000 0.981 373 D HN 0.378 nan 8.370 nan 0.000 0.500 374 T N 2.849 117.522 114.554 0.198 0.000 2.834 374 T HA 0.237 4.588 4.350 0.001 0.000 0.298 374 T C -2.463 172.355 174.700 0.195 0.000 0.966 374 T CA -0.856 61.350 62.100 0.176 0.000 1.141 374 T CB 1.127 70.103 68.868 0.180 0.000 0.905 374 T HN 0.043 nan 8.240 nan 0.000 0.535 375 P HA 0.187 nan 4.420 nan 0.000 0.261 375 P C -0.592 176.783 177.300 0.125 0.000 1.203 375 P CA -0.130 63.083 63.100 0.187 0.000 0.767 375 P CB 0.174 31.966 31.700 0.155 0.000 0.785 376 V N 2.567 122.558 119.914 0.128 0.000 3.130 376 V HA 0.858 4.978 4.120 0.001 0.000 0.310 376 V C -0.954 175.150 176.094 0.016 0.000 1.158 376 V CA -1.248 61.056 62.300 0.007 0.000 1.029 376 V CB 2.048 33.749 31.823 -0.204 0.000 1.057 376 V HN 0.612 nan 8.190 nan 0.000 0.436 377 Y N -0.845 119.231 120.300 -0.374 0.000 2.705 377 Y HA 0.771 5.321 4.550 0.001 0.000 0.332 377 Y C 1.077 176.668 175.900 -0.515 0.000 1.221 377 Y CA -0.779 56.989 58.100 -0.552 0.000 1.059 377 Y CB 1.302 39.643 38.460 -0.198 0.000 1.298 377 Y HN 0.878 nan 8.280 nan 0.000 0.459 378 G N 1.093 109.631 108.800 -0.436 0.000 2.475 378 G HA2 -0.171 3.790 3.960 0.001 0.000 0.220 378 G HA3 -0.171 3.790 3.960 0.001 0.000 0.220 378 G C 0.956 175.688 174.900 -0.280 0.000 1.125 378 G CA 1.210 46.243 45.100 -0.111 0.000 0.755 378 G HN 0.614 nan 8.290 nan 0.000 0.565 379 L N 0.452 121.236 121.223 -0.732 0.000 2.376 379 L HA 0.008 4.349 4.340 0.001 0.000 0.219 379 L C 1.915 178.562 176.870 -0.372 0.000 1.133 379 L CA 0.554 55.048 54.840 -0.576 0.000 0.816 379 L CB -0.267 41.284 42.059 -0.848 0.000 0.933 379 L HN 0.078 nan 8.230 nan 0.000 0.449 380 D N -0.327 119.801 120.400 -0.454 0.000 2.269 380 D HA -0.158 4.482 4.640 0.001 0.000 0.208 380 D C 1.930 178.105 176.300 -0.208 0.000 0.963 380 D CA 0.978 54.796 54.000 -0.304 0.000 0.864 380 D CB -0.088 40.495 40.800 -0.362 0.000 0.936 380 D HN 0.406 nan 8.370 nan 0.000 0.505 381 W N 0.678 121.961 121.300 -0.028 0.000 2.358 381 W HA -0.183 4.477 4.660 0.001 0.000 0.303 381 W C 2.435 178.923 176.519 -0.051 0.000 1.208 381 W CA -0.042 57.294 57.345 -0.015 0.000 1.274 381 W CB -0.382 29.087 29.460 0.016 0.000 1.138 381 W HN -0.053 nan 8.180 nan 0.000 0.515 382 M N 1.392 121.086 119.600 0.157 0.000 2.082 382 M HA -0.153 4.328 4.480 0.001 0.000 0.258 382 M C -0.854 175.390 176.300 -0.093 0.000 1.071 382 M CA 2.053 57.380 55.300 0.045 0.000 1.103 382 M CB -1.892 30.731 32.600 0.037 0.000 1.307 382 M HN -0.294 nan 8.290 nan 0.000 0.409 383 P HA -0.043 nan 4.420 nan 0.000 0.223 383 P C 1.151 178.354 177.300 -0.161 0.000 1.151 383 P CA 1.394 64.367 63.100 -0.211 0.000 0.787 383 P CB -0.359 31.239 31.700 -0.171 0.000 0.788 384 T N 0.788 115.307 114.554 -0.059 0.000 2.737 384 T HA -0.045 4.306 4.350 0.001 0.000 0.265 384 T C 1.922 176.606 174.700 -0.027 0.000 1.038 384 T CA 1.118 63.224 62.100 0.009 0.000 1.144 384 T CB -0.720 68.234 68.868 0.143 0.000 0.866 384 T HN 0.074 nan 8.240 nan 0.000 0.434 385 L N 0.699 121.908 121.223 -0.023 0.000 2.156 385 L HA 0.025 4.366 4.340 0.001 0.000 0.208 385 L C 3.046 179.658 176.870 -0.429 0.000 1.095 385 L CA 0.846 55.634 54.840 -0.088 0.000 0.770 385 L CB -0.680 41.400 42.059 0.035 0.000 0.914 385 L HN 0.227 nan 8.230 nan 0.000 0.439 386 A N 0.481 122.838 122.820 -0.772 0.000 1.908 386 A HA -0.288 4.033 4.320 0.001 0.000 0.218 386 A C 2.325 179.456 177.584 -0.756 0.000 1.181 386 A CA 2.252 53.416 52.037 -1.454 0.000 0.627 386 A CB -0.391 18.017 19.000 -0.986 0.000 0.818 386 A HN 0.248 nan 8.150 nan 0.000 0.445 387 K N -0.606 119.555 120.400 -0.399 0.000 2.031 387 K HA 0.054 4.375 4.320 0.001 0.000 0.205 387 K C 1.999 178.513 176.600 -0.143 0.000 1.049 387 K CA 1.741 57.899 56.287 -0.216 0.000 0.939 387 K CB -0.356 32.071 32.500 -0.123 0.000 0.717 387 K HN 0.472 nan 8.250 nan 0.000 0.438 388 M N -0.585 118.944 119.600 -0.119 0.000 2.229 388 M HA -0.084 4.396 4.480 0.001 0.000 0.264 388 M C 1.610 177.871 176.300 -0.064 0.000 1.063 388 M CA 1.542 56.811 55.300 -0.051 0.000 1.114 388 M CB -0.014 32.557 32.600 -0.048 0.000 1.387 388 M HN 0.149 nan 8.290 nan 0.000 0.420 389 M N -1.338 118.200 119.600 -0.104 0.000 2.333 389 M HA 0.165 4.645 4.480 0.001 0.000 0.257 389 M C 0.092 176.428 176.300 0.061 0.000 1.078 389 M CA -0.109 55.196 55.300 0.008 0.000 1.005 389 M CB 0.160 32.827 32.600 0.111 0.000 1.444 389 M HN 0.181 nan 8.290 nan 0.000 0.496 390 N N 1.844 120.500 118.700 -0.074 0.000 2.746 390 N HA -0.184 4.557 4.740 0.001 0.000 0.250 390 N C -1.309 174.229 175.510 0.047 0.000 1.055 390 N CA 0.480 53.506 53.050 -0.040 0.000 0.699 390 N CB -1.058 37.445 38.487 0.026 0.000 0.919 390 N HN 0.514 nan 8.380 nan 0.000 0.548 391 F N -1.005 118.905 119.950 -0.066 0.000 2.579 391 F HA 0.712 5.239 4.527 0.001 0.000 0.324 391 F C 0.264 176.012 175.800 -0.087 0.000 1.058 391 F CA -1.329 56.626 58.000 -0.076 0.000 0.944 391 F CB 1.048 39.982 39.000 -0.110 0.000 1.245 391 F HN 0.093 nan 8.300 nan 0.000 0.477 392 K N 2.370 122.839 120.400 0.115 0.000 2.123 392 K HA 0.636 4.957 4.320 0.001 0.000 0.259 392 K C -1.105 175.533 176.600 0.063 0.000 0.960 392 K CA -0.701 55.584 56.287 -0.003 0.000 0.872 392 K CB 1.873 34.374 32.500 0.003 0.000 1.079 392 K HN 0.794 nan 8.250 nan 0.000 0.440 393 L N 2.805 123.980 121.223 -0.079 0.000 2.397 393 L HA 0.237 4.578 4.340 0.001 0.000 0.271 393 L C -1.927 174.961 176.870 0.030 0.000 1.148 393 L CA -2.187 52.579 54.840 -0.124 0.000 0.825 393 L CB 0.246 41.996 42.059 -0.515 0.000 1.117 393 L HN 0.491 nan 8.230 nan 0.000 0.456 394 P HA -0.029 nan 4.420 nan 0.000 0.265 394 P C 0.443 177.887 177.300 0.241 0.000 1.187 394 P CA 0.121 63.339 63.100 0.196 0.000 0.766 394 P CB 0.457 32.297 31.700 0.234 0.000 0.820 395 T N -2.935 111.701 114.554 0.136 0.000 3.105 395 T HA 0.020 4.371 4.350 0.001 0.000 0.253 395 T C 0.572 175.317 174.700 0.076 0.000 1.047 395 T CA -0.029 62.137 62.100 0.110 0.000 0.944 395 T CB -0.396 68.509 68.868 0.061 0.000 1.016 395 T HN 0.366 nan 8.240 nan 0.000 0.544 396 D N 1.637 122.077 120.400 0.066 0.000 2.342 396 D HA 0.077 4.718 4.640 0.001 0.000 0.221 396 D C 0.677 176.964 176.300 -0.021 0.000 1.101 396 D CA -0.484 53.528 54.000 0.019 0.000 0.837 396 D CB -0.028 40.781 40.800 0.014 0.000 0.938 396 D HN 0.687 nan 8.370 nan 0.000 0.508 397 R N -2.116 118.358 120.500 -0.043 0.000 2.664 397 R HA 0.441 4.781 4.340 0.001 0.000 0.266 397 R C -1.389 174.763 176.300 -0.246 0.000 1.046 397 R CA -0.750 55.246 56.100 -0.174 0.000 0.885 397 R CB 0.065 30.193 30.300 -0.287 0.000 1.254 397 R HN -0.199 nan 8.270 nan 0.000 0.465 398 T N 2.273 116.676 114.554 -0.252 0.000 2.884 398 T HA 0.391 4.742 4.350 0.001 0.000 0.298 398 T C -0.643 173.827 174.700 -0.384 0.000 0.998 398 T CA 0.222 62.213 62.100 -0.181 0.000 1.124 398 T CB 0.074 68.887 68.868 -0.092 0.000 0.931 398 T HN 0.258 nan 8.240 nan 0.000 0.531 399 F N 0.950 120.900 119.950 0.000 0.000 2.508 399 F HA 0.369 4.896 4.527 0.001 0.000 0.325 399 F C 1.238 177.043 175.800 0.009 0.000 1.090 399 F CA -0.957 57.042 58.000 -0.003 0.000 0.945 399 F CB 1.681 40.673 39.000 -0.012 0.000 1.156 399 F HN 0.551 nan 8.300 nan 0.000 0.463 400 D N 1.231 121.740 120.400 0.183 0.000 2.355 400 D HA 0.102 4.742 4.640 0.001 0.000 0.206 400 D C 1.119 177.505 176.300 0.143 0.000 1.010 400 D CA 0.378 54.475 54.000 0.162 0.000 0.875 400 D CB 0.472 41.357 40.800 0.141 0.000 0.966 400 D HN 0.671 nan 8.370 nan 0.000 0.512 401 G N 0.321 109.164 108.800 0.072 0.000 2.543 401 G HA2 0.410 4.370 3.960 0.001 0.000 0.290 401 G HA3 0.410 4.370 3.960 0.001 0.000 0.290 401 G C -0.313 174.606 174.900 0.032 0.000 1.310 401 G CA -0.242 44.874 45.100 0.028 0.000 1.025 401 G HN -0.075 nan 8.290 nan 0.000 0.502 402 E N -1.221 118.983 120.200 0.005 0.000 2.367 402 E HA 0.394 4.744 4.350 0.001 0.000 0.273 402 E C -0.796 175.780 176.600 -0.041 0.000 0.903 402 E CA -0.637 55.756 56.400 -0.011 0.000 0.764 402 E CB 2.208 31.914 29.700 0.010 0.000 1.252 402 E HN 0.429 nan 8.360 nan 0.000 0.446 403 S N 1.654 117.328 115.700 -0.043 0.000 2.537 403 S HA 0.072 4.543 4.470 0.001 0.000 0.286 403 S C 0.782 175.375 174.600 -0.012 0.000 1.299 403 S CA -0.139 58.038 58.200 -0.038 0.000 1.067 403 S CB 0.184 63.358 63.200 -0.043 0.000 0.864 403 S HN 0.470 nan 8.310 nan 0.000 0.494 404 L N 5.528 126.751 121.223 -0.000 0.000 2.592 404 L HA 0.083 4.423 4.340 0.001 0.000 0.227 404 L C 1.937 178.873 176.870 0.110 0.000 1.127 404 L CA -0.074 54.790 54.840 0.040 0.000 0.884 404 L CB -0.312 41.742 42.059 -0.008 0.000 1.065 404 L HN 0.547 nan 8.230 nan 0.000 0.457 405 V N 1.134 121.099 119.914 0.087 0.000 2.278 405 V HA -0.217 3.903 4.120 0.001 0.000 0.251 405 V C -0.048 176.101 176.094 0.091 0.000 1.062 405 V CA 2.202 64.559 62.300 0.095 0.000 1.038 405 V CB -1.448 30.410 31.823 0.060 0.000 0.646 405 V HN 0.385 nan 8.190 nan 0.000 0.447 406 P HA -0.114 nan 4.420 nan 0.000 0.216 406 P C 1.877 179.231 177.300 0.090 0.000 1.150 406 P CA 1.256 64.397 63.100 0.068 0.000 0.837 406 P CB -0.101 31.630 31.700 0.052 0.000 0.786 407 V N -0.540 119.447 119.914 0.121 0.000 2.343 407 V HA -0.215 3.905 4.120 0.001 0.000 0.247 407 V C 2.375 178.563 176.094 0.157 0.000 1.051 407 V CA 1.648 64.045 62.300 0.161 0.000 1.036 407 V CB -1.255 30.720 31.823 0.252 0.000 0.654 407 V HN 0.081 nan 8.190 nan 0.000 0.451 408 L N -0.407 120.921 121.223 0.175 0.000 2.275 408 L HA -0.088 4.253 4.340 0.001 0.000 0.215 408 L C 2.061 178.995 176.870 0.107 0.000 1.119 408 L CA 1.236 56.168 54.840 0.154 0.000 0.790 408 L CB -0.483 41.692 42.059 0.195 0.000 0.919 408 L HN 0.379 nan 8.230 nan 0.000 0.443 409 E N 0.057 120.314 120.200 0.095 0.000 2.437 409 E HA -0.010 4.340 4.350 0.001 0.000 0.189 409 E C -0.052 176.582 176.600 0.057 0.000 1.054 409 E CA -0.132 56.310 56.400 0.070 0.000 0.874 409 E CB 0.270 30.009 29.700 0.064 0.000 1.011 409 E HN 0.362 nan 8.360 nan 0.000 0.474 410 Q N 0.090 119.927 119.800 0.062 0.000 2.503 410 Q HA -0.203 4.137 4.340 0.001 0.000 0.267 410 Q C -0.632 175.397 176.000 0.048 0.000 1.030 410 Q CA 0.840 56.673 55.803 0.051 0.000 1.041 410 Q CB -1.378 27.381 28.738 0.037 0.000 1.406 410 Q HN 0.214 nan 8.270 nan 0.000 0.524 411 K N -0.098 120.334 120.400 0.054 0.000 2.185 411 K HA 0.806 5.126 4.320 0.001 0.000 0.240 411 K C 0.048 176.680 176.600 0.054 0.000 0.983 411 K CA -0.284 56.031 56.287 0.047 0.000 0.873 411 K CB 1.234 33.759 32.500 0.042 0.000 1.118 411 K HN 0.117 nan 8.250 nan 0.000 0.441 412 A N 1.306 124.153 122.820 0.046 0.000 2.371 412 A HA 0.306 4.626 4.320 0.001 0.000 0.257 412 A C -0.646 176.967 177.584 0.048 0.000 1.089 412 A CA -0.456 51.610 52.037 0.049 0.000 0.794 412 A CB 0.107 19.131 19.000 0.040 0.000 1.029 412 A HN 0.566 nan 8.150 nan 0.000 0.488 413 L N 1.954 123.209 121.223 0.053 0.000 2.296 413 L HA 0.428 4.769 4.340 0.001 0.000 0.286 413 L C 0.078 176.970 176.870 0.037 0.000 1.023 413 L CA -0.137 54.730 54.840 0.046 0.000 0.812 413 L CB 1.103 43.195 42.059 0.055 0.000 1.223 413 L HN 0.643 nan 8.230 nan 0.000 0.421 414 K N 5.651 126.068 120.400 0.028 0.000 2.213 414 K HA 0.421 4.741 4.320 0.001 0.000 0.270 414 K C -0.826 175.784 176.600 0.017 0.000 1.002 414 K CA -0.632 55.668 56.287 0.022 0.000 0.868 414 K CB 0.935 33.446 32.500 0.018 0.000 1.093 414 K HN 0.614 nan 8.250 nan 0.000 0.454 415 R N 2.888 123.397 120.500 0.015 0.000 2.349 415 R HA 0.133 4.473 4.340 0.001 0.000 0.299 415 R C 0.518 176.820 176.300 0.003 0.000 1.027 415 R CA -0.448 55.658 56.100 0.009 0.000 0.958 415 R CB 1.074 31.378 30.300 0.005 0.000 1.047 415 R HN 0.592 nan 8.270 nan 0.000 0.468 416 E N 1.592 121.790 120.200 -0.005 0.000 2.472 416 E HA 0.090 4.441 4.350 0.001 0.000 0.196 416 E C -0.276 176.301 176.600 -0.038 0.000 1.033 416 E CA 0.539 56.927 56.400 -0.020 0.000 0.886 416 E CB 0.647 30.332 29.700 -0.025 0.000 0.944 416 E HN 0.376 nan 8.360 nan 0.000 0.492 417 K N 0.906 121.293 120.400 -0.022 0.000 2.426 417 K HA 0.429 4.750 4.320 0.001 0.000 0.251 417 K C -2.729 173.890 176.600 0.032 0.000 0.941 417 K CA -2.074 54.198 56.287 -0.024 0.000 0.808 417 K CB 2.053 34.547 32.500 -0.011 0.000 1.265 417 K HN -0.217 nan 8.250 nan 0.000 0.432 418 P HA 0.066 nan 4.420 nan 0.000 0.270 418 P C -0.685 176.603 177.300 -0.021 0.000 1.223 418 P CA -0.317 62.817 63.100 0.057 0.000 0.785 418 P CB 0.440 32.215 31.700 0.125 0.000 0.923 419 L N 1.920 122.979 121.223 -0.272 0.000 2.410 419 L HA 0.285 4.625 4.340 0.001 0.000 0.273 419 L C 0.593 177.029 176.870 -0.722 0.000 1.152 419 L CA -0.221 54.157 54.840 -0.771 0.000 0.855 419 L CB -0.061 41.351 42.059 -1.077 0.000 1.129 419 L HN 0.328 nan 8.230 nan 0.000 0.463 420 I N 3.289 123.365 120.570 -0.823 0.000 2.406 420 I HA 0.507 4.678 4.170 0.001 0.000 0.290 420 I C -1.006 174.640 176.117 -0.785 0.000 0.999 420 I CA 0.079 60.961 61.300 -0.696 0.000 1.124 420 I CB 1.051 38.484 38.000 -0.945 0.000 1.289 420 I HN 0.224 nan 8.210 nan 0.000 0.441 421 F N 5.115 124.999 119.950 -0.110 0.000 2.577 421 F HA 0.904 5.431 4.527 0.001 0.000 0.318 421 F C 0.528 176.196 175.800 -0.219 0.000 1.065 421 F CA -0.738 57.178 58.000 -0.139 0.000 0.929 421 F CB 2.205 41.134 39.000 -0.118 0.000 1.237 421 F HN 0.529 nan 8.300 nan 0.000 0.468 422 G N 0.928 109.581 108.800 -0.244 0.000 2.677 422 G HA2 0.714 4.675 3.960 0.001 0.000 0.291 422 G HA3 0.714 4.675 3.960 0.001 0.000 0.291 422 G C -2.495 172.249 174.900 -0.260 0.000 1.435 422 G CA -0.775 44.011 45.100 -0.522 0.000 0.826 422 G HN 0.578 nan 8.290 nan 0.000 0.491 423 I N 0.282 120.788 120.570 -0.106 0.000 2.685 423 I HA 0.435 4.606 4.170 0.001 0.000 0.289 423 I C -1.977 174.047 176.117 -0.155 0.000 1.292 423 I CA -0.737 60.535 61.300 -0.046 0.000 1.050 423 I CB 2.537 40.481 38.000 -0.094 0.000 1.301 423 I HN 0.385 nan 8.210 nan 0.000 0.425 424 D N 8.055 128.282 120.400 -0.287 0.000 2.493 424 D HA 0.324 4.965 4.640 0.001 0.000 0.235 424 D C -0.920 175.022 176.300 -0.597 0.000 1.117 424 D CA -0.005 53.717 54.000 -0.462 0.000 0.930 424 D CB 0.467 40.895 40.800 -0.621 0.000 1.010 424 D HN 0.562 nan 8.370 nan 0.000 0.514 425 M N 5.266 124.564 119.600 -0.503 0.000 2.182 425 M HA 0.331 4.811 4.480 0.001 0.000 0.285 425 M C -2.679 173.401 176.300 -0.367 0.000 0.956 425 M CA -1.723 53.222 55.300 -0.591 0.000 0.878 425 M CB 1.685 34.041 32.600 -0.407 0.000 1.373 425 M HN 0.021 nan 8.290 nan 0.000 0.393 426 P HA 0.200 nan 4.420 nan 0.000 0.275 426 P C -0.294 176.810 177.300 -0.327 0.000 1.266 426 P CA 0.251 62.978 63.100 -0.623 0.000 0.793 426 P CB 0.272 31.182 31.700 -1.318 0.000 1.074 427 F N -4.447 115.555 119.950 0.087 0.000 2.953 427 F HA -0.195 4.332 4.527 0.001 0.000 0.292 427 F C 0.645 176.508 175.800 0.105 0.000 0.747 427 F CA 0.609 58.668 58.000 0.098 0.000 1.222 427 F CB -2.693 36.376 39.000 0.115 0.000 1.457 427 F HN 0.230 nan 8.300 nan 0.000 0.383 428 Q N 1.346 121.263 119.800 0.196 0.000 2.299 428 Q HA 0.150 4.491 4.340 0.001 0.000 0.246 428 Q C 1.349 177.422 176.000 0.120 0.000 0.935 428 Q CA -0.090 55.810 55.803 0.161 0.000 0.887 428 Q CB 0.797 29.607 28.738 0.121 0.000 1.223 428 Q HN 0.159 nan 8.270 nan 0.000 0.439 429 D N 0.830 121.292 120.400 0.103 0.000 2.106 429 D HA -0.131 4.510 4.640 0.001 0.000 0.191 429 D C -0.368 175.976 176.300 0.073 0.000 0.997 429 D CA 1.516 55.563 54.000 0.078 0.000 0.834 429 D CB 0.237 41.072 40.800 0.059 0.000 0.956 429 D HN 0.438 nan 8.370 nan 0.000 0.448 430 D N 1.162 121.609 120.400 0.079 0.000 2.373 430 D HA 0.239 4.880 4.640 0.001 0.000 0.227 430 D C -2.331 174.013 176.300 0.073 0.000 1.091 430 D CA -1.493 52.558 54.000 0.085 0.000 0.840 430 D CB 1.335 42.202 40.800 0.110 0.000 1.060 430 D HN -0.030 nan 8.370 nan 0.000 0.502 431 P HA -0.016 nan 4.420 nan 0.000 0.264 431 P C 0.224 177.522 177.300 -0.004 0.000 1.183 431 P CA 0.047 63.158 63.100 0.018 0.000 0.763 431 P CB 0.383 32.086 31.700 0.005 0.000 0.807 432 T N -0.190 114.341 114.554 -0.038 0.000 2.849 432 T HA 0.279 4.629 4.350 0.001 0.000 0.284 432 T C 0.054 174.690 174.700 -0.107 0.000 1.004 432 T CA -0.832 61.222 62.100 -0.077 0.000 1.021 432 T CB 0.781 69.596 68.868 -0.088 0.000 1.013 432 T HN 0.218 nan 8.240 nan 0.000 0.527 433 D N 0.257 120.571 120.400 -0.143 0.000 2.388 433 D HA 0.229 4.870 4.640 0.001 0.000 0.254 433 D C 0.822 177.053 176.300 -0.115 0.000 1.111 433 D CA -0.492 53.433 54.000 -0.125 0.000 0.993 433 D CB 1.912 42.625 40.800 -0.145 0.000 1.118 433 D HN 0.867 nan 8.370 nan 0.000 0.502 434 E N -0.291 119.871 120.200 -0.063 0.000 2.330 434 E HA 0.053 4.403 4.350 0.001 0.000 0.200 434 E C -0.527 175.967 176.600 -0.176 0.000 0.922 434 E CA 0.113 56.443 56.400 -0.116 0.000 0.935 434 E CB 0.613 30.269 29.700 -0.072 0.000 0.917 434 E HN 0.360 nan 8.360 nan 0.000 0.491 435 W N -0.291 120.990 121.300 -0.033 0.000 3.031 435 W HA 0.707 5.367 4.660 0.001 0.000 0.337 435 W C -0.997 175.466 176.519 -0.093 0.000 1.187 435 W CA -0.765 56.562 57.345 -0.030 0.000 1.166 435 W CB 1.736 31.225 29.460 0.050 0.000 1.437 435 W HN -0.152 nan 8.180 nan 0.000 0.551 436 A N 2.338 125.309 122.820 0.252 0.000 2.455 436 A HA 0.884 5.204 4.320 0.001 0.000 0.300 436 A C -1.313 176.413 177.584 0.236 0.000 1.040 436 A CA -0.794 51.347 52.037 0.173 0.000 0.697 436 A CB 0.869 19.936 19.000 0.111 0.000 1.265 436 A HN 0.736 nan 8.150 nan 0.000 0.407 437 I N -0.890 119.770 120.570 0.149 0.000 2.646 437 I HA 0.947 5.118 4.170 0.001 0.000 0.299 437 I C -0.411 175.772 176.117 0.110 0.000 1.036 437 I CA -1.100 60.269 61.300 0.116 0.000 1.074 437 I CB 2.127 40.204 38.000 0.128 0.000 1.258 437 I HN 0.538 nan 8.210 nan 0.000 0.430 438 R N 2.678 123.211 120.500 0.055 0.000 2.483 438 R HA 0.500 4.841 4.340 0.001 0.000 0.303 438 R C -1.992 174.326 176.300 0.030 0.000 0.987 438 R CA -0.270 55.855 56.100 0.042 0.000 0.881 438 R CB 1.079 31.372 30.300 -0.013 0.000 1.177 438 R HN 0.765 nan 8.270 nan 0.000 0.451 439 D N 3.427 123.891 120.400 0.105 0.000 2.542 439 D HA 0.489 5.130 4.640 0.001 0.000 0.252 439 D C 0.557 176.960 176.300 0.173 0.000 1.222 439 D CA 0.974 55.042 54.000 0.114 0.000 0.895 439 D CB 1.625 42.496 40.800 0.118 0.000 1.207 439 D HN 0.708 nan 8.370 nan 0.000 0.558 440 G N 4.575 113.439 108.800 0.106 0.000 2.622 440 G HA2 -0.344 3.617 3.960 0.001 0.000 0.307 440 G HA3 -0.344 3.617 3.960 0.001 0.000 0.307 440 G C 0.696 175.617 174.900 0.035 0.000 1.226 440 G CA 0.532 45.687 45.100 0.092 0.000 0.997 440 G HN 0.553 nan 8.290 nan 0.000 0.551 441 D N 0.479 120.844 120.400 -0.059 0.000 2.355 441 D HA 0.098 4.739 4.640 0.001 0.000 0.218 441 D C 0.647 176.774 176.300 -0.289 0.000 1.004 441 D CA 0.446 54.310 54.000 -0.227 0.000 0.880 441 D CB -0.013 40.555 40.800 -0.386 0.000 0.911 441 D HN 0.378 nan 8.370 nan 0.000 0.528 442 W N 1.776 123.099 121.300 0.038 0.000 2.316 442 W HA 0.314 4.975 4.660 0.001 0.000 0.311 442 W C 0.793 177.342 176.519 0.050 0.000 1.217 442 W CA -0.763 56.611 57.345 0.048 0.000 1.199 442 W CB 1.080 30.562 29.460 0.036 0.000 1.202 442 W HN -0.430 nan 8.180 nan 0.000 0.528 443 K N 4.652 125.239 120.400 0.312 0.000 2.426 443 K HA 0.560 4.881 4.320 0.001 0.000 0.254 443 K C -1.251 175.474 176.600 0.207 0.000 0.936 443 K CA -0.767 55.654 56.287 0.224 0.000 0.801 443 K CB 1.298 33.916 32.500 0.197 0.000 1.139 443 K HN 0.656 nan 8.250 nan 0.000 0.424 444 M N 6.489 126.168 119.600 0.133 0.000 2.321 444 M HA 0.458 4.939 4.480 0.001 0.000 0.315 444 M C -1.612 174.700 176.300 0.020 0.000 1.052 444 M CA -0.690 54.642 55.300 0.053 0.000 0.936 444 M CB 1.162 33.777 32.600 0.025 0.000 1.639 444 M HN 0.582 nan 8.290 nan 0.000 0.433 445 I N 5.720 126.294 120.570 0.007 0.000 2.378 445 I HA 0.394 4.565 4.170 0.001 0.000 0.291 445 I C -0.705 175.337 176.117 -0.125 0.000 0.992 445 I CA -0.903 60.393 61.300 -0.007 0.000 1.154 445 I CB 1.680 39.751 38.000 0.119 0.000 1.315 445 I HN 0.573 nan 8.210 nan 0.000 0.448 446 I N 5.170 125.638 120.570 -0.170 0.000 2.336 446 I HA 0.197 4.368 4.170 0.001 0.000 0.292 446 I C 0.091 176.151 176.117 -0.095 0.000 0.991 446 I CA -0.594 60.566 61.300 -0.234 0.000 1.227 446 I CB 1.016 38.699 38.000 -0.528 0.000 1.366 446 I HN 0.572 nan 8.210 nan 0.000 0.466 447 D N 6.170 126.498 120.400 -0.120 0.000 2.393 447 D HA 0.090 4.731 4.640 0.001 0.000 0.246 447 D C 0.758 177.058 176.300 0.001 0.000 1.275 447 D CA -0.242 53.706 54.000 -0.085 0.000 0.979 447 D CB 0.698 41.420 40.800 -0.131 0.000 1.101 447 D HN 0.396 nan 8.370 nan 0.000 0.505 448 R N -1.073 119.414 120.500 -0.022 0.000 2.307 448 R HA 0.068 4.408 4.340 0.001 0.000 0.199 448 R C 0.466 176.778 176.300 0.020 0.000 1.000 448 R CA 0.485 56.581 56.100 -0.006 0.000 1.023 448 R CB -0.496 29.762 30.300 -0.069 0.000 0.908 448 R HN 0.502 nan 8.270 nan 0.000 0.473 449 N N 0.655 119.364 118.700 0.015 0.000 2.279 449 N HA 0.023 4.764 4.740 0.001 0.000 0.226 449 N C -0.296 175.253 175.510 0.064 0.000 1.126 449 N CA -0.239 52.826 53.050 0.026 0.000 0.846 449 N CB 0.439 38.923 38.487 -0.005 0.000 1.050 449 N HN 0.031 nan 8.380 nan 0.000 0.502 450 N N 0.890 119.663 118.700 0.122 0.000 2.778 450 N HA -0.201 4.540 4.740 0.001 0.000 0.249 450 N C -1.234 174.374 175.510 0.162 0.000 1.069 450 N CA 1.112 54.286 53.050 0.207 0.000 0.831 450 N CB -0.635 37.992 38.487 0.233 0.000 1.142 450 N HN 0.328 nan 8.380 nan 0.000 0.573 451 K N 0.307 120.708 120.400 0.002 0.000 2.138 451 K HA 0.443 4.763 4.320 0.001 0.000 0.263 451 K C -2.525 173.932 176.600 -0.238 0.000 0.965 451 K CA -1.860 54.342 56.287 -0.142 0.000 0.868 451 K CB 1.192 33.606 32.500 -0.144 0.000 1.083 451 K HN -0.009 nan 8.250 nan 0.000 0.443 452 P HA -0.015 nan 4.420 nan 0.000 0.265 452 P C -0.154 176.953 177.300 -0.322 0.000 1.193 452 P CA 0.155 63.050 63.100 -0.340 0.000 0.765 452 P CB 0.749 32.218 31.700 -0.386 0.000 0.823 453 K N 1.867 122.046 120.400 -0.368 0.000 2.403 453 K HA 0.115 4.436 4.320 0.001 0.000 0.199 453 K C -0.424 175.756 176.600 -0.700 0.000 1.199 453 K CA 0.372 56.314 56.287 -0.575 0.000 0.924 453 K CB 0.518 32.563 32.500 -0.758 0.000 1.137 453 K HN 0.356 nan 8.250 nan 0.000 0.510 454 Y N 0.216 120.407 120.300 -0.182 0.000 2.492 454 Y HA 0.490 5.040 4.550 0.001 0.000 0.346 454 Y C -1.083 174.579 175.900 -0.396 0.000 0.997 454 Y CA -1.352 56.553 58.100 -0.326 0.000 1.025 454 Y CB 1.849 40.120 38.460 -0.316 0.000 1.263 454 Y HN -0.147 nan 8.280 nan 0.000 0.454 455 L N 3.544 124.561 121.223 -0.344 0.000 2.439 455 L HA 0.683 5.024 4.340 0.001 0.000 0.270 455 L C -2.191 174.533 176.870 -0.243 0.000 0.972 455 L CA -0.833 53.893 54.840 -0.190 0.000 0.836 455 L CB 0.970 43.013 42.059 -0.026 0.000 1.255 455 L HN 0.525 nan 8.230 nan 0.000 0.404 456 Y N 2.816 123.266 120.300 0.250 0.000 2.499 456 Y HA 0.476 5.027 4.550 0.001 0.000 0.347 456 Y C 0.063 176.013 175.900 0.083 0.000 0.987 456 Y CA -0.979 57.217 58.100 0.161 0.000 1.044 456 Y CB 1.639 40.153 38.460 0.089 0.000 1.245 456 Y HN 0.561 nan 8.280 nan 0.000 0.461 457 N N 3.101 121.814 118.700 0.021 0.000 2.500 457 N HA 0.177 4.917 4.740 0.001 0.000 0.236 457 N C 0.363 175.738 175.510 -0.225 0.000 1.022 457 N CA 0.095 52.871 53.050 -0.456 0.000 0.935 457 N CB 0.732 38.744 38.487 -0.792 0.000 1.147 457 N HN 0.850 nan 8.380 nan 0.000 0.512 458 L N 2.859 123.972 121.223 -0.183 0.000 2.265 458 L HA -0.104 4.236 4.340 0.001 0.000 0.215 458 L C 2.378 179.151 176.870 -0.163 0.000 1.117 458 L CA 0.877 55.632 54.840 -0.141 0.000 0.782 458 L CB -0.101 41.902 42.059 -0.093 0.000 0.914 458 L HN 0.533 nan 8.230 nan 0.000 0.441 459 K N 0.353 120.638 120.400 -0.192 0.000 2.097 459 K HA -0.141 4.180 4.320 0.001 0.000 0.205 459 K C 2.087 178.613 176.600 -0.124 0.000 1.050 459 K CA 1.684 57.881 56.287 -0.150 0.000 0.938 459 K CB 0.110 32.514 32.500 -0.160 0.000 0.718 459 K HN 0.356 nan 8.250 nan 0.000 0.442 460 S N -0.883 114.735 115.700 -0.136 0.000 2.535 460 S HA 0.015 4.486 4.470 0.001 0.000 0.214 460 S C 0.060 174.627 174.600 -0.055 0.000 0.980 460 S CA -0.109 58.043 58.200 -0.080 0.000 0.907 460 S CB 0.440 63.598 63.200 -0.071 0.000 0.790 460 S HN 0.247 nan 8.310 nan 0.000 0.510 461 D N 0.922 121.271 120.400 -0.085 0.000 2.714 461 D HA 0.274 4.915 4.640 0.001 0.000 0.264 461 D C 0.709 176.900 176.300 -0.182 0.000 1.231 461 D CA -0.419 53.537 54.000 -0.073 0.000 0.802 461 D CB 0.501 41.291 40.800 -0.016 0.000 1.319 461 D HN 0.061 nan 8.370 nan 0.000 0.528 462 R N 0.738 121.073 120.500 -0.275 0.000 2.127 462 R HA -0.163 4.177 4.340 0.001 0.000 0.238 462 R C 0.406 176.297 176.300 -0.683 0.000 1.134 462 R CA 1.507 57.282 56.100 -0.543 0.000 0.975 462 R CB 0.089 29.905 30.300 -0.805 0.000 0.865 462 R HN 0.362 nan 8.270 nan 0.000 0.447 463 Y N 0.176 120.363 120.300 -0.188 0.000 2.485 463 Y HA 0.227 4.777 4.550 0.001 0.000 0.260 463 Y C -0.221 175.436 175.900 -0.406 0.000 1.173 463 Y CA -0.213 57.740 58.100 -0.246 0.000 1.252 463 Y CB 0.317 38.665 38.460 -0.187 0.000 1.123 463 Y HN 0.078 nan 8.280 nan 0.000 0.524 464 E N 0.154 120.083 120.200 -0.451 0.000 2.297 464 E HA -0.229 4.121 4.350 0.001 0.000 0.228 464 E C 0.579 176.778 176.600 -0.669 0.000 1.213 464 E CA 0.784 56.571 56.400 -1.021 0.000 0.712 464 E CB -1.415 27.544 29.700 -1.236 0.000 1.202 464 E HN 0.604 nan 8.360 nan 0.000 0.376 465 T N -3.059 111.349 114.554 -0.244 0.000 3.044 465 T HA 0.323 4.673 4.350 0.001 0.000 0.260 465 T C 0.594 175.346 174.700 0.085 0.000 1.019 465 T CA -0.275 61.779 62.100 -0.077 0.000 0.921 465 T CB 0.323 69.148 68.868 -0.070 0.000 1.053 465 T HN 0.164 nan 8.240 nan 0.000 0.533 466 L N 2.705 124.037 121.223 0.183 0.000 2.502 466 L HA 0.476 4.816 4.340 0.001 0.000 0.247 466 L C -0.270 176.807 176.870 0.346 0.000 1.180 466 L CA -0.858 54.113 54.840 0.218 0.000 0.956 466 L CB 0.590 42.734 42.059 0.143 0.000 1.282 466 L HN 0.047 nan 8.230 nan 0.000 0.470 467 N N 2.178 121.076 118.700 0.331 0.000 2.468 467 N HA 0.122 4.863 4.740 0.001 0.000 0.265 467 N C 0.316 175.891 175.510 0.108 0.000 1.199 467 N CA 0.301 53.456 53.050 0.175 0.000 0.928 467 N CB 1.050 39.665 38.487 0.213 0.000 1.059 467 N HN 0.499 nan 8.380 nan 0.000 0.467 468 L N 3.788 125.048 121.223 0.062 0.000 2.857 468 L HA 0.303 4.644 4.340 0.001 0.000 0.249 468 L C 0.312 177.198 176.870 0.028 0.000 1.172 468 L CA -0.444 54.449 54.840 0.088 0.000 0.980 468 L CB 0.110 42.280 42.059 0.186 0.000 1.299 468 L HN 0.441 nan 8.230 nan 0.000 0.535 469 I N 1.927 122.487 120.570 -0.017 0.000 2.741 469 I HA 0.001 4.172 4.170 0.001 0.000 0.288 469 I C 1.485 177.580 176.117 -0.036 0.000 1.192 469 I CA 1.150 62.417 61.300 -0.054 0.000 1.426 469 I CB -0.035 37.909 38.000 -0.094 0.000 1.367 469 I HN 0.470 nan 8.210 nan 0.000 0.563 470 G N 5.948 114.719 108.800 -0.047 0.000 2.160 470 G HA2 -0.307 3.654 3.960 0.001 0.000 0.251 470 G HA3 -0.307 3.654 3.960 0.001 0.000 0.251 470 G C 0.787 175.678 174.900 -0.014 0.000 1.008 470 G CA 0.390 45.469 45.100 -0.035 0.000 0.724 470 G HN 0.713 nan 8.290 nan 0.000 0.514 471 K N -1.322 119.074 120.400 -0.006 0.000 2.558 471 K HA 0.157 4.477 4.320 0.001 0.000 0.215 471 K C 0.394 177.001 176.600 0.012 0.000 1.298 471 K CA -0.134 56.162 56.287 0.015 0.000 1.008 471 K CB 0.747 33.272 32.500 0.043 0.000 1.073 471 K HN 0.082 nan 8.250 nan 0.000 0.606 472 K N 0.969 121.357 120.400 -0.020 0.000 2.992 472 K HA 0.208 4.529 4.320 0.001 0.000 0.178 472 K C -2.683 173.855 176.600 -0.102 0.000 1.122 472 K CA -1.433 54.818 56.287 -0.060 0.000 0.926 472 K CB 1.639 34.085 32.500 -0.091 0.000 1.121 472 K HN -0.191 nan 8.250 nan 0.000 0.610 473 P HA -0.159 nan 4.420 nan 0.000 0.215 473 P C 0.771 178.018 177.300 -0.089 0.000 1.153 473 P CA 1.225 64.282 63.100 -0.071 0.000 0.853 473 P CB 0.458 32.129 31.700 -0.049 0.000 0.788 474 D N -0.907 119.433 120.400 -0.101 0.000 2.097 474 D HA -0.093 4.548 4.640 0.001 0.000 0.197 474 D C 2.003 178.203 176.300 -0.167 0.000 0.984 474 D CA 0.946 54.880 54.000 -0.110 0.000 0.826 474 D CB -0.484 40.258 40.800 -0.096 0.000 0.973 474 D HN 0.045 nan 8.370 nan 0.000 0.460 475 I N 1.541 121.951 120.570 -0.266 0.000 2.226 475 I HA -0.196 3.975 4.170 0.001 0.000 0.245 475 I C 2.210 178.156 176.117 -0.286 0.000 1.100 475 I CA 1.122 62.165 61.300 -0.429 0.000 1.374 475 I CB -0.961 36.518 38.000 -0.869 0.000 1.057 475 I HN 0.078 nan 8.210 nan 0.000 0.413 476 E N 0.644 120.723 120.200 -0.200 0.000 2.085 476 E HA -0.275 4.075 4.350 0.001 0.000 0.194 476 E C 2.215 178.789 176.600 -0.042 0.000 0.994 476 E CA 1.481 57.813 56.400 -0.112 0.000 0.801 476 E CB -0.105 29.533 29.700 -0.103 0.000 0.743 476 E HN 0.391 nan 8.360 nan 0.000 0.453 477 K N 0.857 121.229 120.400 -0.047 0.000 2.025 477 K HA -0.201 4.119 4.320 0.001 0.000 0.207 477 K C 2.203 178.803 176.600 0.001 0.000 1.049 477 K CA 1.371 57.658 56.287 0.001 0.000 0.933 477 K CB 0.078 32.565 32.500 -0.021 0.000 0.714 477 K HN 0.051 nan 8.250 nan 0.000 0.438 478 Q N -0.370 119.398 119.800 -0.053 0.000 2.061 478 Q HA -0.172 4.169 4.340 0.001 0.000 0.204 478 Q C 2.197 178.181 176.000 -0.027 0.000 0.984 478 Q CA 1.826 57.594 55.803 -0.059 0.000 0.846 478 Q CB -0.031 28.642 28.738 -0.108 0.000 0.902 478 Q HN 0.338 nan 8.270 nan 0.000 0.421 479 M N -1.144 118.442 119.600 -0.023 0.000 2.156 479 M HA -0.133 4.348 4.480 0.001 0.000 0.264 479 M C 2.054 178.431 176.300 0.128 0.000 1.067 479 M CA 1.256 56.576 55.300 0.034 0.000 1.131 479 M CB -0.779 31.828 32.600 0.012 0.000 1.368 479 M HN 0.247 nan 8.290 nan 0.000 0.416 480 Y N 1.273 121.574 120.300 0.000 0.000 2.224 480 Y HA -0.069 4.481 4.550 0.001 0.000 0.289 480 Y C 2.291 178.240 175.900 0.081 0.000 1.146 480 Y CA 1.540 59.676 58.100 0.059 0.000 1.182 480 Y CB -0.829 37.637 38.460 0.011 0.000 0.983 480 Y HN 0.220 nan 8.280 nan 0.000 0.524 481 G N -0.187 108.601 108.800 -0.021 0.000 2.402 481 G HA2 -0.244 3.716 3.960 0.001 0.000 0.216 481 G HA3 -0.244 3.716 3.960 0.001 0.000 0.216 481 G C 1.761 176.581 174.900 -0.133 0.000 1.162 481 G CA 0.796 45.821 45.100 -0.125 0.000 0.777 481 G HN 0.346 nan 8.290 nan 0.000 0.539 482 K N -0.563 119.805 120.400 -0.053 0.000 2.097 482 K HA -0.057 4.264 4.320 0.001 0.000 0.206 482 K C 2.124 178.717 176.600 -0.012 0.000 1.049 482 K CA 1.127 57.393 56.287 -0.034 0.000 0.933 482 K CB -0.295 32.215 32.500 0.017 0.000 0.717 482 K HN 0.343 nan 8.250 nan 0.000 0.442 483 F N 1.775 121.645 119.950 -0.132 0.000 2.075 483 F HA -0.174 4.354 4.527 0.001 0.000 0.297 483 F C 1.686 177.299 175.800 -0.312 0.000 1.113 483 F CA 1.390 59.275 58.000 -0.191 0.000 1.218 483 F CB -0.408 38.483 39.000 -0.182 0.000 0.984 483 F HN -0.123 nan 8.300 nan 0.000 0.472 484 L N 0.330 121.089 121.223 -0.773 0.000 2.083 484 L HA -0.224 4.116 4.340 0.001 0.000 0.209 484 L C 2.652 179.178 176.870 -0.574 0.000 1.083 484 L CA 1.755 56.076 54.840 -0.864 0.000 0.752 484 L CB -0.789 40.886 42.059 -0.640 0.000 0.899 484 L HN 0.177 nan 8.230 nan 0.000 0.433 485 K N -0.355 119.815 120.400 -0.383 0.000 2.032 485 K HA -0.251 4.070 4.320 0.001 0.000 0.209 485 K C 2.245 178.693 176.600 -0.254 0.000 1.048 485 K CA 1.732 57.853 56.287 -0.276 0.000 0.927 485 K CB -0.295 32.074 32.500 -0.218 0.000 0.712 485 K HN 0.216 nan 8.250 nan 0.000 0.441 486 Y N 0.999 121.083 120.300 -0.360 0.000 2.181 486 Y HA -0.265 4.286 4.550 0.001 0.000 0.288 486 Y C 2.534 178.181 175.900 -0.421 0.000 1.146 486 Y CA 1.539 59.451 58.100 -0.313 0.000 1.164 486 Y CB 0.130 38.448 38.460 -0.236 0.000 0.982 486 Y HN 0.091 nan 8.280 nan 0.000 0.515 487 K N -0.611 119.440 120.400 -0.582 0.000 2.032 487 K HA -0.249 4.072 4.320 0.001 0.000 0.209 487 K C 2.264 178.653 176.600 -0.351 0.000 1.048 487 K CA 1.936 57.749 56.287 -0.789 0.000 0.927 487 K CB -0.474 31.179 32.500 -1.412 0.000 0.712 487 K HN 0.222 nan 8.250 nan 0.000 0.441 488 T N 0.271 114.635 114.554 -0.317 0.000 2.746 488 T HA -0.185 4.165 4.350 0.001 0.000 0.267 488 T C 1.507 176.148 174.700 -0.098 0.000 1.039 488 T CA 2.076 64.068 62.100 -0.179 0.000 1.142 488 T CB -0.421 68.340 68.868 -0.178 0.000 0.866 488 T HN 0.420 nan 8.240 nan 0.000 0.444 489 D N -0.167 120.177 120.400 -0.093 0.000 2.123 489 D HA -0.062 4.579 4.640 0.001 0.000 0.196 489 D C 2.045 178.361 176.300 0.025 0.000 0.992 489 D CA 1.238 55.212 54.000 -0.043 0.000 0.833 489 D CB -0.257 40.500 40.800 -0.072 0.000 0.954 489 D HN 0.530 nan 8.370 nan 0.000 0.455 490 I N 0.290 120.909 120.570 0.081 0.000 2.233 490 I HA -0.181 3.989 4.170 0.001 0.000 0.243 490 I C 1.796 177.995 176.117 0.137 0.000 1.093 490 I CA 0.916 62.304 61.300 0.147 0.000 1.380 490 I CB -0.205 37.947 38.000 0.253 0.000 1.067 490 I HN -0.012 nan 8.210 nan 0.000 0.413 491 D N 0.945 121.415 120.400 0.116 0.000 2.149 491 D HA -0.138 4.503 4.640 0.001 0.000 0.198 491 D C 1.129 177.456 176.300 0.046 0.000 0.990 491 D CA 1.147 55.205 54.000 0.097 0.000 0.839 491 D CB -0.363 40.472 40.800 0.059 0.000 0.948 491 D HN 0.301 nan 8.370 nan 0.000 0.460 492 N N 1.293 120.003 118.700 0.017 0.000 2.378 492 N HA -0.006 4.734 4.740 0.001 0.000 0.243 492 N C -0.573 174.936 175.510 -0.002 0.000 1.137 492 N CA -0.104 52.946 53.050 -0.000 0.000 0.862 492 N CB 0.091 38.565 38.487 -0.021 0.000 1.116 492 N HN 0.213 nan 8.380 nan 0.000 0.499 493 D N 0.312 120.720 120.400 0.013 0.000 2.487 493 D HA -0.038 4.603 4.640 0.001 0.000 0.243 493 D C 1.420 177.711 176.300 -0.016 0.000 1.154 493 D CA 0.158 54.158 54.000 -0.001 0.000 0.876 493 D CB 0.928 41.734 40.800 0.010 0.000 1.161 493 D HN 0.167 nan 8.370 nan 0.000 0.478 494 S N 3.403 119.085 115.700 -0.030 0.000 2.368 494 S HA -0.215 4.255 4.470 0.001 0.000 0.224 494 S C 1.856 176.436 174.600 -0.034 0.000 1.029 494 S CA 0.362 58.543 58.200 -0.031 0.000 0.988 494 S CB -0.351 62.827 63.200 -0.036 0.000 0.838 494 S HN 0.557 nan 8.310 nan 0.000 0.462 495 L N 1.318 122.511 121.223 -0.050 0.000 2.046 495 L HA 0.114 4.455 4.340 0.001 0.000 0.208 495 L C 2.676 179.526 176.870 -0.032 0.000 1.077 495 L CA 2.000 56.810 54.840 -0.051 0.000 0.747 495 L CB -0.605 41.406 42.059 -0.082 0.000 0.896 495 L HN 0.480 nan 8.230 nan 0.000 0.432 496 M N -0.925 118.661 119.600 -0.024 0.000 2.080 496 M HA -0.295 4.185 4.480 0.001 0.000 0.260 496 M C 2.206 178.502 176.300 -0.006 0.000 1.068 496 M CA 1.933 57.228 55.300 -0.008 0.000 1.109 496 M CB -0.158 32.446 32.600 0.007 0.000 1.342 496 M HN 0.138 nan 8.290 nan 0.000 0.405 497 K N 0.223 120.618 120.400 -0.008 0.000 2.057 497 K HA -0.106 4.214 4.320 0.001 0.000 0.207 497 K C 1.997 178.591 176.600 -0.009 0.000 1.049 497 K CA 1.433 57.715 56.287 -0.007 0.000 0.931 497 K CB -0.340 32.154 32.500 -0.009 0.000 0.714 497 K HN 0.503 nan 8.250 nan 0.000 0.440 498 A N 2.027 124.838 122.820 -0.014 0.000 1.972 498 A HA -0.195 4.126 4.320 0.001 0.000 0.219 498 A C 1.906 179.483 177.584 -0.011 0.000 1.169 498 A CA 1.525 53.553 52.037 -0.014 0.000 0.635 498 A CB -0.479 18.510 19.000 -0.018 0.000 0.810 498 A HN 0.421 nan 8.150 nan 0.000 0.446 499 R N -1.418 119.075 120.500 -0.011 0.000 2.317 499 R HA 0.359 4.700 4.340 0.001 0.000 0.208 499 R C 0.941 177.237 176.300 -0.006 0.000 0.914 499 R CA 0.615 56.709 56.100 -0.009 0.000 1.060 499 R CB -0.534 29.759 30.300 -0.011 0.000 1.015 499 R HN 0.754 nan 8.270 nan 0.000 0.498 500 G N 1.027 109.824 108.800 -0.005 0.000 2.212 500 G HA2 -0.195 3.766 3.960 0.001 0.000 0.255 500 G HA3 -0.195 3.766 3.960 0.001 0.000 0.255 500 G C -0.988 173.912 174.900 0.001 0.000 1.062 500 G CA 0.173 45.272 45.100 -0.002 0.000 0.815 500 G HN 0.453 nan 8.290 nan 0.000 0.497 501 D N -0.124 120.277 120.400 0.003 0.000 2.450 501 D HA 0.732 5.373 4.640 0.001 0.000 0.238 501 D C 0.448 176.755 176.300 0.012 0.000 1.020 501 D CA -0.255 53.750 54.000 0.008 0.000 1.010 501 D CB 1.459 42.264 40.800 0.008 0.000 1.342 501 D HN 0.537 nan 8.370 nan 0.000 0.530 502 K N -0.967 119.444 120.400 0.018 0.000 2.480 502 K HA 0.643 4.963 4.320 0.001 0.000 0.258 502 K C -3.088 173.526 176.600 0.024 0.000 0.990 502 K CA -1.888 54.411 56.287 0.021 0.000 0.857 502 K CB 1.460 33.972 32.500 0.020 0.000 1.384 502 K HN -0.076 nan 8.250 nan 0.000 0.446 503 P HA 0.044 nan 4.420 nan 0.000 0.266 503 P C -1.124 176.173 177.300 -0.005 0.000 1.215 503 P CA 0.174 63.276 63.100 0.003 0.000 0.763 503 P CB 0.349 32.062 31.700 0.022 0.000 0.806 504 E N 2.442 122.639 120.200 -0.004 0.000 2.073 504 E HA 0.388 4.739 4.350 0.001 0.000 0.269 504 E C 0.007 176.577 176.600 -0.052 0.000 0.917 504 E CA -0.780 55.643 56.400 0.039 0.000 0.757 504 E CB 1.518 31.315 29.700 0.162 0.000 1.111 504 E HN 0.388 nan 8.360 nan 0.000 0.410 505 A N 3.074 125.827 122.820 -0.110 0.000 2.540 505 A HA 0.090 4.410 4.320 0.001 0.000 0.239 505 A C 0.480 177.803 177.584 -0.435 0.000 1.061 505 A CA -0.268 51.623 52.037 -0.243 0.000 0.758 505 A CB 0.259 19.157 19.000 -0.170 0.000 0.991 505 A HN 0.428 nan 8.150 nan 0.000 0.502 506 V N 3.304 122.819 119.914 -0.666 0.000 2.470 506 V HA 0.260 4.381 4.120 0.001 0.000 0.276 506 V C 1.372 176.949 176.094 -0.863 0.000 1.040 506 V CA 1.096 62.668 62.300 -1.213 0.000 1.008 506 V CB 0.566 31.747 31.823 -1.069 0.000 0.990 506 V HN 1.140 nan 8.190 nan 0.000 0.477 507 T N -0.388 113.667 114.554 -0.831 0.000 3.058 507 T HA 0.150 4.500 4.350 0.001 0.000 0.278 507 T C -0.099 174.789 174.700 0.313 0.000 0.974 507 T CA -0.499 61.558 62.100 -0.072 0.000 0.893 507 T CB -0.084 68.837 68.868 0.088 0.000 1.138 507 T HN 0.608 nan 8.240 nan 0.000 0.529 508 W N 1.200 122.743 121.300 0.404 0.000 2.436 508 W HA 0.856 5.517 4.660 0.001 0.000 0.347 508 W C 0.401 177.239 176.519 0.531 0.000 1.136 508 W CA -1.190 56.377 57.345 0.370 0.000 1.286 508 W CB 0.470 30.084 29.460 0.257 0.000 1.253 508 W HN 0.163 nan 8.180 nan 0.000 0.617 509 G N 0.000 109.036 108.800 0.393 0.000 5.446 509 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 509 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 509 G CA 0.000 45.120 45.100 0.034 0.000 0.502 509 G HN 0.000 nan 8.290 nan 0.000 0.925