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 2d7r_1_A DATA FIRST_RESID 68 DATA SEQUENCE GQKLKDWHDK EAIRRDAQRV GNGEQGRPYP MTDAERVDQA YRENGFNIYV DATA SEQUENCE SDKISLNRSL PDIRHPNcNS KRYLETLPNT SIIIPFHNEG WSSLLRTVHS DATA SEQUENCE VLNRSPPELV AEIVLVDDFS DREHLKKPLE DYMALFPSVR ILRTKKREGL DATA SEQUENCE IRTRMLGASV ATGDVITFLD SHCEANVNWL PPLLDRIARN RKTIVCPMID DATA SEQUENCE VIDHDDFRYE TQAGDAMRGA FDWEMYYKRI PIPPELQKAD PSDPFESPVM DATA SEQUENCE AGGLFAVDRK WFWELGGYDP GLEIWGGEQY EISFKVWMcG GRMEDIPcSR DATA SEQUENCE VGHIYRKYVP YKVPAGVSLA RNLKRVAEVW MDEYAEYIYQ RRPEYRHLSA DATA SEQUENCE GDVAVQKKLR SSLNcKSFKW FMTKIAWDLP KFYPPVEPPA AAWGEIRNVG DATA SEQUENCE TGLcADTKHG ALGSPLRLEG cVRGRGEAAW NNMQVFTFTW REDIRPGDPQ DATA SEQUENCE HTKKFcFDAI SHTSPVTLYD cHSMKGNQLW KYRKDKTLYH PVSGScMDCS DATA SEQUENCE ESDHRIFMNT cNPSSLTQQW LFEHTNSTVL EKFNRN 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 68 G HA2 0.000 nan 3.960 nan 0.000 0.244 68 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 68 G C 0.000 174.911 174.900 0.018 0.000 0.946 68 G CA 0.000 45.108 45.100 0.013 0.000 0.502 69 Q N 1.246 121.058 119.800 0.019 0.000 2.458 69 Q HA 0.133 4.472 4.340 -0.001 0.000 0.332 69 Q C -0.208 175.809 176.000 0.028 0.000 0.825 69 Q CA -0.555 55.264 55.803 0.027 0.000 1.076 69 Q CB 0.418 29.170 28.738 0.023 0.000 1.394 69 Q HN 0.299 nan 8.270 nan 0.000 0.393 70 K N 1.311 121.727 120.400 0.026 0.000 2.368 70 K HA 0.219 4.539 4.320 -0.001 0.000 0.282 70 K C 0.514 177.135 176.600 0.035 0.000 1.035 70 K CA 0.108 56.406 56.287 0.020 0.000 0.973 70 K CB 0.823 33.328 32.500 0.007 0.000 0.957 70 K HN 0.405 nan 8.250 nan 0.000 0.474 71 L N 1.734 122.973 121.223 0.027 0.000 2.598 71 L HA 0.338 4.677 4.340 -0.001 0.000 0.202 71 L C 0.484 177.367 176.870 0.022 0.000 1.190 71 L CA -0.271 54.597 54.840 0.046 0.000 0.869 71 L CB 0.208 42.279 42.059 0.019 0.000 1.529 71 L HN 0.580 nan 8.230 nan 0.000 0.520 72 K N 0.005 120.420 120.400 0.024 0.000 2.712 72 K HA 0.066 4.386 4.320 -0.001 0.000 0.274 72 K C -2.004 174.563 176.600 -0.055 0.000 1.025 72 K CA -0.683 55.545 56.287 -0.098 0.000 0.904 72 K CB 1.353 33.681 32.500 -0.286 0.000 1.392 72 K HN 0.458 nan 8.250 nan 0.000 0.392 73 D N 3.590 123.928 120.400 -0.104 0.000 2.396 73 D HA 0.162 4.801 4.640 -0.001 0.000 0.225 73 D C -0.264 176.020 176.300 -0.026 0.000 1.121 73 D CA -0.259 53.757 54.000 0.027 0.000 0.853 73 D CB 0.341 41.176 40.800 0.057 0.000 1.043 73 D HN 0.491 nan 8.370 nan 0.000 0.500 74 W N 2.338 123.657 121.300 0.032 0.000 3.345 74 W HA 0.079 4.739 4.660 0.000 0.000 0.282 74 W C 0.844 177.341 176.519 -0.037 0.000 1.302 74 W CA -0.392 56.946 57.345 -0.011 0.000 1.724 74 W CB -0.064 29.374 29.460 -0.037 0.000 1.104 74 W HN 0.356 nan 8.180 nan 0.000 0.694 75 H N 1.574 120.786 119.070 0.237 0.000 3.017 75 H HA -0.027 4.529 4.556 -0.000 0.000 0.276 75 H C -0.014 175.385 175.328 0.118 0.000 1.062 75 H CA 0.495 56.645 56.048 0.170 0.000 1.486 75 H CB 0.507 30.348 29.762 0.131 0.000 1.507 75 H HN -0.102 nan 8.280 nan 0.000 0.508 76 D N 4.236 124.772 120.400 0.227 0.000 2.551 76 D HA 0.006 4.645 4.640 -0.001 0.000 0.223 76 D C 0.925 177.305 176.300 0.133 0.000 1.144 76 D CA -0.179 53.912 54.000 0.151 0.000 1.025 76 D CB 0.014 40.896 40.800 0.136 0.000 1.085 76 D HN 0.449 nan 8.370 nan 0.000 0.506 77 K N 1.206 121.675 120.400 0.115 0.000 2.074 77 K HA -0.184 4.135 4.320 -0.001 0.000 0.209 77 K C 1.618 178.252 176.600 0.056 0.000 1.048 77 K CA 0.909 57.242 56.287 0.077 0.000 0.926 77 K CB 0.182 32.713 32.500 0.053 0.000 0.713 77 K HN 0.287 nan 8.250 nan 0.000 0.444 78 E N 0.701 120.932 120.200 0.051 0.000 2.070 78 E HA -0.209 4.140 4.350 -0.001 0.000 0.197 78 E C 2.014 178.641 176.600 0.046 0.000 1.004 78 E CA 1.495 57.920 56.400 0.041 0.000 0.805 78 E CB -0.283 29.439 29.700 0.037 0.000 0.744 78 E HN 0.315 nan 8.360 nan 0.000 0.451 79 A N 1.056 123.911 122.820 0.059 0.000 1.859 79 A HA -0.235 4.084 4.320 -0.001 0.000 0.217 79 A C 2.276 179.894 177.584 0.056 0.000 1.198 79 A CA 1.982 54.056 52.037 0.062 0.000 0.629 79 A CB -0.875 18.174 19.000 0.081 0.000 0.830 79 A HN 0.234 nan 8.150 nan 0.000 0.446 80 I N -0.298 120.311 120.570 0.065 0.000 2.181 80 I HA -0.290 3.879 4.170 -0.001 0.000 0.247 80 I C 2.560 178.695 176.117 0.031 0.000 1.081 80 I CA 1.922 63.253 61.300 0.051 0.000 1.340 80 I CB -0.573 37.459 38.000 0.054 0.000 1.036 80 I HN 0.351 nan 8.210 nan 0.000 0.417 81 R N 0.303 120.820 120.500 0.029 0.000 2.070 81 R HA -0.125 4.214 4.340 -0.001 0.000 0.232 81 R C 2.489 178.800 176.300 0.019 0.000 1.138 81 R CA 1.509 57.621 56.100 0.020 0.000 0.936 81 R CB -0.157 30.154 30.300 0.019 0.000 0.839 81 R HN 0.299 nan 8.270 nan 0.000 0.429 82 R N 0.109 120.623 120.500 0.024 0.000 2.120 82 R HA -0.108 4.231 4.340 -0.001 0.000 0.234 82 R C 1.754 178.066 176.300 0.020 0.000 1.123 82 R CA 1.305 57.418 56.100 0.023 0.000 0.975 82 R CB -0.192 30.125 30.300 0.028 0.000 0.866 82 R HN 0.324 nan 8.270 nan 0.000 0.446 83 D N 0.388 120.801 120.400 0.022 0.000 2.183 83 D HA -0.021 4.618 4.640 -0.001 0.000 0.203 83 D C 1.678 177.981 176.300 0.005 0.000 0.969 83 D CA 1.016 55.025 54.000 0.014 0.000 0.842 83 D CB 0.123 40.933 40.800 0.016 0.000 0.957 83 D HN 0.226 nan 8.370 nan 0.000 0.484 84 A N 0.505 123.329 122.820 0.006 0.000 2.066 84 A HA -0.104 4.215 4.320 -0.001 0.000 0.218 84 A C 1.690 179.274 177.584 0.001 0.000 1.157 84 A CA 0.754 52.791 52.037 0.001 0.000 0.670 84 A CB -0.177 18.824 19.000 0.002 0.000 0.804 84 A HN 0.198 nan 8.150 nan 0.000 0.453 85 Q N -0.649 119.154 119.800 0.005 0.000 2.222 85 Q HA 0.197 4.536 4.340 -0.001 0.000 0.206 85 Q C 0.199 176.202 176.000 0.005 0.000 0.877 85 Q CA -0.265 55.541 55.803 0.005 0.000 0.958 85 Q CB 0.324 29.066 28.738 0.007 0.000 1.075 85 Q HN 0.440 nan 8.270 nan 0.000 0.483 86 R N 1.365 121.867 120.500 0.004 0.000 2.410 86 R HA 0.353 4.692 4.340 -0.001 0.000 0.288 86 R C -0.550 175.750 176.300 0.001 0.000 1.051 86 R CA -0.272 55.831 56.100 0.004 0.000 1.021 86 R CB 1.011 31.313 30.300 0.004 0.000 1.032 86 R HN 0.036 nan 8.270 nan 0.000 0.481 87 V N 0.137 120.052 119.914 0.001 0.000 2.914 87 V HA 1.021 5.140 4.120 -0.001 0.000 0.314 87 V C -0.101 175.992 176.094 -0.002 0.000 1.084 87 V CA -0.077 62.222 62.300 -0.002 0.000 0.963 87 V CB 1.597 33.417 31.823 -0.004 0.000 1.025 87 V HN 0.975 nan 8.190 nan 0.000 0.432 88 G N 1.621 110.416 108.800 -0.007 0.000 2.340 88 G HA2 0.023 3.982 3.960 -0.001 0.000 0.527 88 G HA3 0.023 3.982 3.960 -0.001 0.000 0.527 88 G C -1.151 173.743 174.900 -0.010 0.000 1.381 88 G CA -0.893 44.203 45.100 -0.007 0.000 1.001 88 G HN 0.999 nan 8.290 nan 0.000 0.626 89 N N 0.468 119.159 118.700 -0.015 0.000 2.357 89 N HA 0.321 5.061 4.740 -0.001 0.000 0.257 89 N C 1.621 177.178 175.510 0.079 0.000 1.250 89 N CA 2.190 55.223 53.050 -0.029 0.000 0.862 89 N CB 0.981 39.455 38.487 -0.022 0.000 1.066 89 N HN 2.135 nan 8.380 nan 0.000 0.468 90 G N 1.311 110.158 108.800 0.079 0.000 2.267 90 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.257 90 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.257 90 G C 0.179 175.123 174.900 0.074 0.000 0.998 90 G CA 0.101 45.277 45.100 0.127 0.000 0.620 90 G HN 0.581 nan 8.290 nan 0.000 0.529 91 E N 0.904 121.127 120.200 0.039 0.000 2.492 91 E HA 0.184 4.533 4.350 -0.001 0.000 0.266 91 E C 1.296 177.902 176.600 0.010 0.000 1.047 91 E CA 0.697 57.107 56.400 0.017 0.000 0.968 91 E CB 0.128 29.832 29.700 0.006 0.000 0.960 91 E HN 0.484 nan 8.360 nan 0.000 0.452 92 Q N 0.122 119.916 119.800 -0.009 0.000 2.439 92 Q HA -0.274 4.065 4.340 -0.001 0.000 0.247 92 Q C 0.890 176.875 176.000 -0.025 0.000 0.899 92 Q CA 1.393 57.181 55.803 -0.026 0.000 1.201 92 Q CB -2.273 26.457 28.738 -0.013 0.000 1.608 92 Q HN 1.062 nan 8.270 nan 0.000 0.563 93 G N -0.345 108.455 108.800 -0.000 0.000 2.162 93 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.260 93 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.260 93 G C 0.243 175.204 174.900 0.101 0.000 0.976 93 G CA 0.528 45.659 45.100 0.053 0.000 0.655 93 G HN 0.371 nan 8.290 nan 0.000 0.533 94 R N 1.237 121.780 120.500 0.071 0.000 2.641 94 R HA 0.369 4.708 4.340 -0.001 0.000 0.269 94 R C -1.868 174.492 176.300 0.100 0.000 1.074 94 R CA -0.956 55.186 56.100 0.070 0.000 1.133 94 R CB 0.375 30.696 30.300 0.036 0.000 1.029 94 R HN 0.197 nan 8.270 nan 0.000 0.488 95 P HA -0.111 nan 4.420 nan 0.000 0.271 95 P C -1.162 176.212 177.300 0.124 0.000 1.216 95 P CA 0.153 63.332 63.100 0.131 0.000 0.776 95 P CB 0.421 32.182 31.700 0.101 0.000 0.881 96 Y N 4.781 125.121 120.300 0.067 0.000 2.411 96 Y HA 0.196 4.745 4.550 -0.002 0.000 0.333 96 Y C -1.653 174.267 175.900 0.033 0.000 1.186 96 Y CA -1.875 56.246 58.100 0.034 0.000 1.381 96 Y CB 0.053 38.517 38.460 0.006 0.000 1.273 96 Y HN 0.311 nan 8.280 nan 0.000 0.546 97 P HA -0.019 nan 4.420 nan 0.000 0.258 97 P C -0.710 176.609 177.300 0.031 0.000 1.563 97 P CA 0.249 63.186 63.100 -0.270 0.000 1.241 97 P CB -0.239 31.216 31.700 -0.407 0.000 1.811 98 M N 1.963 121.676 119.600 0.189 0.000 2.245 98 M HA 0.090 4.569 4.480 -0.001 0.000 0.335 98 M C 0.985 177.380 176.300 0.158 0.000 1.155 98 M CA 1.122 56.562 55.300 0.233 0.000 1.055 98 M CB -0.610 32.095 32.600 0.175 0.000 1.670 98 M HN 0.246 nan 8.290 nan 0.000 0.447 99 T N -2.113 112.540 114.554 0.164 0.000 2.883 99 T HA 0.337 4.687 4.350 -0.001 0.000 0.301 99 T C 0.487 175.254 174.700 0.113 0.000 1.158 99 T CA -0.920 61.251 62.100 0.118 0.000 1.007 99 T CB 1.612 70.548 68.868 0.114 0.000 1.186 99 T HN 0.609 nan 8.240 nan 0.000 0.499 100 D N 1.096 121.550 120.400 0.090 0.000 2.239 100 D HA -0.161 4.478 4.640 -0.001 0.000 0.202 100 D C 2.120 178.481 176.300 0.102 0.000 0.993 100 D CA 1.638 55.690 54.000 0.087 0.000 0.874 100 D CB -0.317 40.524 40.800 0.069 0.000 0.922 100 D HN 0.778 nan 8.370 nan 0.000 0.464 101 A N 0.533 123.417 122.820 0.107 0.000 2.067 101 A HA -0.140 4.179 4.320 -0.001 0.000 0.219 101 A C 1.849 179.551 177.584 0.197 0.000 1.158 101 A CA 1.162 53.276 52.037 0.128 0.000 0.661 101 A CB -0.046 19.008 19.000 0.091 0.000 0.801 101 A HN 0.033 nan 8.150 nan 0.000 0.452 102 E N -0.938 119.359 120.200 0.162 0.000 2.473 102 E HA 0.130 4.479 4.350 -0.001 0.000 0.204 102 E C 1.690 178.339 176.600 0.081 0.000 0.994 102 E CA 0.041 56.527 56.400 0.144 0.000 0.945 102 E CB 0.200 29.948 29.700 0.081 0.000 0.990 102 E HN 0.476 nan 8.360 nan 0.000 0.493 103 R N 0.761 121.332 120.500 0.119 0.000 2.313 103 R HA 0.081 4.420 4.340 -0.001 0.000 0.199 103 R C 0.772 177.158 176.300 0.143 0.000 0.958 103 R CA 0.135 56.324 56.100 0.148 0.000 1.047 103 R CB -0.316 30.061 30.300 0.129 0.000 0.955 103 R HN 0.104 nan 8.270 nan 0.000 0.481 104 V N -0.424 119.541 119.914 0.085 0.000 3.139 104 V HA -0.035 4.084 4.120 -0.001 0.000 0.307 104 V C 0.843 176.992 176.094 0.091 0.000 1.095 104 V CA 0.143 62.482 62.300 0.065 0.000 1.160 104 V CB 0.790 32.645 31.823 0.053 0.000 1.003 104 V HN 0.025 nan 8.190 nan 0.000 0.489 105 D N 0.630 121.085 120.400 0.091 0.000 2.355 105 D HA -0.026 4.613 4.640 -0.001 0.000 0.218 105 D C 1.759 178.129 176.300 0.117 0.000 1.004 105 D CA 0.708 54.789 54.000 0.136 0.000 0.880 105 D CB 0.311 41.155 40.800 0.074 0.000 0.911 105 D HN 0.675 nan 8.370 nan 0.000 0.528 106 Q N -0.064 119.738 119.800 0.004 0.000 2.424 106 Q HA 0.139 4.478 4.340 -0.001 0.000 0.204 106 Q C 1.537 177.375 176.000 -0.270 0.000 0.933 106 Q CA 0.034 55.813 55.803 -0.040 0.000 0.929 106 Q CB 0.471 29.229 28.738 0.033 0.000 1.037 106 Q HN 0.157 nan 8.270 nan 0.000 0.511 107 A N -0.859 121.604 122.820 -0.594 0.000 2.206 107 A HA -0.058 4.261 4.320 -0.001 0.000 0.211 107 A C 0.894 178.037 177.584 -0.735 0.000 1.158 107 A CA 0.556 51.927 52.037 -1.110 0.000 0.761 107 A CB -0.167 17.976 19.000 -1.428 0.000 0.801 107 A HN 0.313 nan 8.150 nan 0.000 0.473 108 Y N -1.411 118.761 120.300 -0.213 0.000 2.535 108 Y HA 0.107 4.656 4.550 -0.002 0.000 0.264 108 Y C 2.131 177.905 175.900 -0.210 0.000 1.087 108 Y CA -0.333 57.650 58.100 -0.195 0.000 1.285 108 Y CB 0.102 38.493 38.460 -0.114 0.000 1.200 108 Y HN 0.074 nan 8.280 nan 0.000 0.514 109 R N 1.200 121.753 120.500 0.089 0.000 2.198 109 R HA -0.246 4.093 4.340 -0.001 0.000 0.258 109 R C 1.203 177.512 176.300 0.015 0.000 1.173 109 R CA 1.849 58.016 56.100 0.112 0.000 0.991 109 R CB -0.578 29.777 30.300 0.091 0.000 0.879 109 R HN 0.562 nan 8.270 nan 0.000 0.460 110 E N -0.835 119.322 120.200 -0.072 0.000 2.276 110 E HA 0.063 4.412 4.350 -0.001 0.000 0.193 110 E C 1.088 177.580 176.600 -0.180 0.000 0.983 110 E CA 0.219 56.572 56.400 -0.078 0.000 0.861 110 E CB 0.255 29.931 29.700 -0.041 0.000 0.817 110 E HN 0.389 nan 8.360 nan 0.000 0.485 111 N N -1.203 117.257 118.700 -0.401 0.000 2.168 111 N HA 0.061 4.800 4.740 -0.001 0.000 0.216 111 N C 0.949 176.018 175.510 -0.735 0.000 1.259 111 N CA 0.785 53.419 53.050 -0.692 0.000 0.902 111 N CB 2.056 39.657 38.487 -1.477 0.000 1.079 111 N HN 0.195 nan 8.380 nan 0.000 0.507 112 G N 1.545 109.946 108.800 -0.664 0.000 2.199 112 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.254 112 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.254 112 G C -0.116 174.609 174.900 -0.291 0.000 0.982 112 G CA 0.701 45.338 45.100 -0.771 0.000 0.632 112 G HN 0.395 nan 8.290 nan 0.000 0.529 113 F N -0.963 118.943 119.950 -0.073 0.000 2.599 113 F HA 0.649 5.175 4.527 -0.001 0.000 0.311 113 F C -0.383 175.362 175.800 -0.092 0.000 1.076 113 F CA -2.333 55.733 58.000 0.110 0.000 0.937 113 F CB 0.693 39.719 39.000 0.043 0.000 1.282 113 F HN 0.008 nan 8.300 nan 0.000 0.460 114 N N 2.182 120.893 118.700 0.018 0.000 2.380 114 N HA -0.029 4.711 4.740 -0.001 0.000 0.292 114 N C 0.973 176.452 175.510 -0.052 0.000 1.302 114 N CA -0.122 52.648 53.050 -0.468 0.000 1.007 114 N CB 0.150 38.418 38.487 -0.364 0.000 1.408 114 N HN 0.750 nan 8.380 nan 0.000 0.487 115 I N 4.898 125.401 120.570 -0.112 0.000 2.546 115 I HA -0.205 3.965 4.170 -0.001 0.000 0.255 115 I C 0.904 177.043 176.117 0.038 0.000 1.163 115 I CA 1.170 62.490 61.300 0.034 0.000 1.457 115 I CB -0.292 37.713 38.000 0.008 0.000 1.092 115 I HN 0.584 nan 8.210 nan 0.000 0.434 116 Y N 0.009 120.163 120.300 -0.244 0.000 2.145 116 Y HA -0.188 4.361 4.550 -0.002 0.000 0.286 116 Y C 2.696 178.373 175.900 -0.371 0.000 1.145 116 Y CA 1.459 59.408 58.100 -0.251 0.000 1.148 116 Y CB -1.476 36.857 38.460 -0.212 0.000 0.981 116 Y HN 0.002 nan 8.280 nan 0.000 0.507 117 V N -0.878 118.852 119.914 -0.307 0.000 2.295 117 V HA -0.295 3.824 4.120 -0.001 0.000 0.246 117 V C 2.597 178.214 176.094 -0.796 0.000 1.049 117 V CA 2.039 63.933 62.300 -0.676 0.000 1.024 117 V CB -1.181 30.258 31.823 -0.641 0.000 0.648 117 V HN 0.428 nan 8.190 nan 0.000 0.447 118 S N -0.104 115.081 115.700 -0.857 0.000 2.365 118 S HA -0.297 4.172 4.470 -0.001 0.000 0.225 118 S C 1.766 176.162 174.600 -0.340 0.000 1.039 118 S CA 2.165 59.934 58.200 -0.719 0.000 1.033 118 S CB -0.566 62.465 63.200 -0.282 0.000 0.887 118 S HN 0.659 nan 8.310 nan 0.000 0.447 119 D N 0.842 121.101 120.400 -0.234 0.000 2.182 119 D HA -0.047 4.592 4.640 -0.001 0.000 0.201 119 D C 1.822 178.025 176.300 -0.162 0.000 0.986 119 D CA 0.919 54.831 54.000 -0.148 0.000 0.847 119 D CB -0.129 40.595 40.800 -0.126 0.000 0.942 119 D HN 0.403 nan 8.370 nan 0.000 0.467 120 K N 0.003 120.254 120.400 -0.249 0.000 2.487 120 K HA 0.131 4.450 4.320 -0.001 0.000 0.192 120 K C 0.696 177.246 176.600 -0.085 0.000 1.027 120 K CA 0.051 56.233 56.287 -0.175 0.000 1.054 120 K CB 0.855 33.181 32.500 -0.290 0.000 0.824 120 K HN 0.259 nan 8.250 nan 0.000 0.510 121 I N 1.023 121.502 120.570 -0.152 0.000 2.392 121 I HA 0.045 4.214 4.170 -0.001 0.000 0.295 121 I C 0.616 176.699 176.117 -0.057 0.000 0.985 121 I CA -0.721 60.541 61.300 -0.063 0.000 1.221 121 I CB 1.741 39.681 38.000 -0.100 0.000 1.366 121 I HN -0.116 nan 8.210 nan 0.000 0.467 122 S N 4.816 120.500 115.700 -0.027 0.000 2.552 122 S HA 0.091 4.560 4.470 -0.001 0.000 0.289 122 S C 1.133 175.675 174.600 -0.097 0.000 1.304 122 S CA -0.270 57.899 58.200 -0.052 0.000 1.063 122 S CB 0.369 63.550 63.200 -0.032 0.000 0.848 122 S HN 0.531 nan 8.310 nan 0.000 0.499 123 L N 3.912 125.031 121.223 -0.173 0.000 2.456 123 L HA 0.008 4.347 4.340 -0.001 0.000 0.224 123 L C 0.935 177.625 176.870 -0.301 0.000 1.148 123 L CA 0.613 55.275 54.840 -0.297 0.000 0.825 123 L CB -0.354 41.393 42.059 -0.520 0.000 0.937 123 L HN 0.574 nan 8.230 nan 0.000 0.450 124 N N -0.380 118.205 118.700 -0.191 0.000 2.282 124 N HA 0.064 4.803 4.740 -0.001 0.000 0.240 124 N C 0.214 175.702 175.510 -0.036 0.000 1.182 124 N CA -0.287 52.712 53.050 -0.084 0.000 0.874 124 N CB 0.224 38.690 38.487 -0.036 0.000 1.126 124 N HN 0.263 nan 8.380 nan 0.000 0.516 125 R N 0.527 121.005 120.500 -0.037 0.000 2.873 125 R HA 0.132 4.471 4.340 -0.001 0.000 0.267 125 R C 0.062 176.352 176.300 -0.017 0.000 1.009 125 R CA 0.065 56.157 56.100 -0.014 0.000 1.152 125 R CB 0.198 30.503 30.300 0.007 0.000 1.047 125 R HN 0.078 nan 8.270 nan 0.000 0.470 126 S N 2.177 117.865 115.700 -0.020 0.000 2.578 126 S HA 0.544 5.013 4.470 -0.001 0.000 0.283 126 S C -0.055 174.494 174.600 -0.085 0.000 1.195 126 S CA -1.045 57.132 58.200 -0.040 0.000 1.050 126 S CB 1.123 64.307 63.200 -0.026 0.000 1.012 126 S HN 0.492 nan 8.310 nan 0.000 0.511 127 L N 1.915 123.049 121.223 -0.148 0.000 2.333 127 L HA 0.613 4.953 4.340 -0.001 0.000 0.269 127 L C -2.283 174.421 176.870 -0.277 0.000 1.010 127 L CA -2.648 52.004 54.840 -0.314 0.000 0.818 127 L CB 2.020 43.755 42.059 -0.540 0.000 1.306 127 L HN 0.514 nan 8.230 nan 0.000 0.430 128 P HA 0.012 nan 4.420 nan 0.000 0.271 128 P C -1.125 176.092 177.300 -0.138 0.000 1.218 128 P CA -0.193 62.814 63.100 -0.155 0.000 0.780 128 P CB 1.021 32.675 31.700 -0.076 0.000 0.901 129 D N 2.833 123.206 120.400 -0.044 0.000 2.563 129 D HA 0.091 4.730 4.640 -0.001 0.000 0.222 129 D C 0.920 177.248 176.300 0.046 0.000 1.145 129 D CA -0.517 53.487 54.000 0.007 0.000 1.001 129 D CB -0.845 39.969 40.800 0.024 0.000 1.049 129 D HN 0.315 nan 8.370 nan 0.000 0.515 130 I N -0.121 120.499 120.570 0.084 0.000 3.780 130 I HA 0.245 4.414 4.170 -0.001 0.000 0.312 130 I C 0.807 177.005 176.117 0.134 0.000 1.377 130 I CA -0.680 60.688 61.300 0.114 0.000 1.224 130 I CB -0.108 37.992 38.000 0.167 0.000 1.110 130 I HN -0.108 nan 8.210 nan 0.000 0.418 131 R N 0.303 120.883 120.500 0.133 0.000 2.983 131 R HA 0.239 4.578 4.340 -0.001 0.000 0.241 131 R C -0.135 176.262 176.300 0.162 0.000 1.202 131 R CA -0.333 55.868 56.100 0.170 0.000 1.080 131 R CB 0.164 30.576 30.300 0.187 0.000 1.019 131 R HN 0.374 nan 8.270 nan 0.000 0.527 132 H N -0.232 118.901 119.070 0.106 0.000 2.472 132 H HA 0.187 4.742 4.556 -0.002 0.000 0.335 132 H C -1.862 173.512 175.328 0.076 0.000 1.136 132 H CA -1.969 54.129 56.048 0.083 0.000 1.264 132 H CB 1.650 31.463 29.762 0.086 0.000 1.486 132 H HN 0.194 nan 8.280 nan 0.000 0.517 133 P HA -0.113 nan 4.420 nan 0.000 0.221 133 P C 0.251 177.583 177.300 0.053 0.000 1.145 133 P CA 1.470 64.513 63.100 -0.095 0.000 0.795 133 P CB 0.243 31.832 31.700 -0.185 0.000 0.775 134 N N -1.731 117.096 118.700 0.211 0.000 2.300 134 N HA -0.079 4.660 4.740 -0.001 0.000 0.179 134 N C 1.345 176.967 175.510 0.188 0.000 1.016 134 N CA 0.426 53.603 53.050 0.212 0.000 0.876 134 N CB -0.406 38.246 38.487 0.274 0.000 0.979 134 N HN 0.131 nan 8.380 nan 0.000 0.432 135 c N 1.054 119.794 118.600 0.233 0.000 2.403 135 c HA -0.077 4.492 4.570 -0.001 0.000 0.277 135 c C 2.473 176.751 174.090 0.312 0.000 1.248 135 c CA 0.544 57.031 56.329 0.264 0.000 1.762 135 c CB -1.294 41.382 42.510 0.277 0.000 2.014 135 c HN 0.516 nan 8.230 nan 0.000 0.486 136 N N 0.844 119.654 118.700 0.184 0.000 2.381 136 N HA -0.067 4.672 4.740 -0.001 0.000 0.182 136 N C 1.423 176.967 175.510 0.057 0.000 1.025 136 N CA 1.091 54.144 53.050 0.004 0.000 0.888 136 N CB -0.042 38.355 38.487 -0.149 0.000 0.965 136 N HN 0.484 nan 8.380 nan 0.000 0.438 137 S N -0.405 115.359 115.700 0.108 0.000 2.556 137 S HA 0.162 4.631 4.470 -0.001 0.000 0.216 137 S C 0.592 175.237 174.600 0.075 0.000 0.970 137 S CA -0.122 58.125 58.200 0.079 0.000 0.912 137 S CB 0.691 63.919 63.200 0.048 0.000 0.790 137 S HN 0.125 nan 8.310 nan 0.000 0.504 138 K N 1.971 122.429 120.400 0.097 0.000 2.138 138 K HA 0.428 4.748 4.320 -0.001 0.000 0.251 138 K C 0.326 176.790 176.600 -0.227 0.000 1.015 138 K CA 0.083 56.312 56.287 -0.097 0.000 0.917 138 K CB 0.495 32.916 32.500 -0.131 0.000 1.021 138 K HN 0.090 nan 8.250 nan 0.000 0.485 139 R N 0.967 121.170 120.500 -0.495 0.000 2.771 139 R HA 0.435 4.774 4.340 -0.001 0.000 0.274 139 R C -1.166 174.739 176.300 -0.659 0.000 0.987 139 R CA -0.899 54.978 56.100 -0.372 0.000 0.908 139 R CB 1.468 31.703 30.300 -0.110 0.000 1.213 139 R HN 0.498 nan 8.270 nan 0.000 0.468 140 Y N 0.025 120.449 120.300 0.208 0.000 2.605 140 Y HA 0.370 4.920 4.550 0.000 0.000 0.343 140 Y C 0.287 176.338 175.900 0.253 0.000 1.036 140 Y CA -1.160 57.044 58.100 0.173 0.000 1.065 140 Y CB 1.108 39.611 38.460 0.072 0.000 1.288 140 Y HN 0.267 nan 8.280 nan 0.000 0.481 141 L N 2.009 123.424 121.223 0.319 0.000 2.678 141 L HA -0.145 4.195 4.340 -0.001 0.000 0.285 141 L C 1.618 178.717 176.870 0.382 0.000 1.233 141 L CA 0.608 55.595 54.840 0.244 0.000 0.920 141 L CB 0.288 42.438 42.059 0.152 0.000 1.176 141 L HN 0.860 nan 8.230 nan 0.000 0.495 142 E N 1.651 122.005 120.200 0.257 0.000 2.118 142 E HA -0.138 4.211 4.350 -0.001 0.000 0.195 142 E C 0.049 176.842 176.600 0.323 0.000 0.992 142 E CA 1.135 57.667 56.400 0.219 0.000 0.804 142 E CB 0.295 30.023 29.700 0.048 0.000 0.741 142 E HN 0.686 nan 8.360 nan 0.000 0.458 143 T N 1.013 115.694 114.554 0.212 0.000 2.758 143 T HA 0.531 4.880 4.350 -0.001 0.000 0.285 143 T C -0.455 174.316 174.700 0.117 0.000 0.981 143 T CA -0.429 61.769 62.100 0.164 0.000 0.965 143 T CB 1.204 70.125 68.868 0.089 0.000 0.927 143 T HN 0.006 nan 8.240 nan 0.000 0.448 144 L N 4.272 125.539 121.223 0.073 0.000 2.350 144 L HA 0.610 4.949 4.340 -0.001 0.000 0.260 144 L C -2.077 174.758 176.870 -0.059 0.000 1.015 144 L CA -2.442 52.377 54.840 -0.035 0.000 0.821 144 L CB 1.950 43.913 42.059 -0.160 0.000 1.370 144 L HN 0.410 nan 8.230 nan 0.000 0.416 145 P HA 0.141 nan 4.420 nan 0.000 0.275 145 P C -1.430 175.805 177.300 -0.108 0.000 1.227 145 P CA -0.466 62.591 63.100 -0.073 0.000 0.781 145 P CB 0.429 32.090 31.700 -0.065 0.000 0.906 146 N N 0.642 119.291 118.700 -0.085 0.000 2.444 146 N HA 0.308 5.047 4.740 -0.001 0.000 0.255 146 N C -0.193 175.246 175.510 -0.119 0.000 1.255 146 N CA -0.366 52.623 53.050 -0.102 0.000 0.933 146 N CB 0.341 38.789 38.487 -0.065 0.000 1.143 146 N HN 0.376 nan 8.380 nan 0.000 0.453 147 T N -0.757 113.710 114.554 -0.144 0.000 2.907 147 T HA 0.485 4.834 4.350 -0.001 0.000 0.292 147 T C -1.061 173.553 174.700 -0.142 0.000 1.043 147 T CA -0.820 61.185 62.100 -0.160 0.000 1.003 147 T CB 0.532 69.272 68.868 -0.213 0.000 1.084 147 T HN 0.438 nan 8.240 nan 0.000 0.483 148 S N 3.547 119.150 115.700 -0.162 0.000 2.474 148 S HA 0.451 4.920 4.470 -0.001 0.000 0.320 148 S C 0.082 174.554 174.600 -0.212 0.000 1.067 148 S CA -0.569 57.539 58.200 -0.152 0.000 1.127 148 S CB -0.279 62.837 63.200 -0.140 0.000 0.971 148 S HN 0.596 nan 8.310 nan 0.000 0.472 149 I N 4.370 124.848 120.570 -0.153 0.000 2.436 149 I HA 0.216 4.385 4.170 -0.001 0.000 0.289 149 I C -0.212 175.806 176.117 -0.165 0.000 1.083 149 I CA 0.141 61.351 61.300 -0.150 0.000 1.372 149 I CB 0.229 38.209 38.000 -0.033 0.000 1.408 149 I HN 0.433 nan 8.210 nan 0.000 0.516 150 I N 7.811 128.218 120.570 -0.270 0.000 2.354 150 I HA 0.397 4.566 4.170 -0.001 0.000 0.292 150 I C -0.236 175.855 176.117 -0.043 0.000 0.989 150 I CA -0.344 60.844 61.300 -0.188 0.000 1.188 150 I CB 1.459 39.253 38.000 -0.342 0.000 1.342 150 I HN 0.414 nan 8.210 nan 0.000 0.457 151 I N 8.583 129.171 120.570 0.030 0.000 2.448 151 I HA 0.326 4.495 4.170 -0.001 0.000 0.281 151 I C -2.455 173.752 176.117 0.150 0.000 1.027 151 I CA -1.822 59.522 61.300 0.074 0.000 1.111 151 I CB 1.809 39.834 38.000 0.043 0.000 1.236 151 I HN 0.266 nan 8.210 nan 0.000 0.452 152 P HA 0.344 nan 4.420 nan 0.000 0.292 152 P C -1.223 176.163 177.300 0.143 0.000 1.287 152 P CA -0.163 62.981 63.100 0.074 0.000 0.800 152 P CB 0.945 32.659 31.700 0.024 0.000 0.945 153 F N 0.672 120.628 119.950 0.011 0.000 2.613 153 F HA 0.696 5.222 4.527 -0.001 0.000 0.310 153 F C -1.480 174.364 175.800 0.074 0.000 1.085 153 F CA -1.323 56.689 58.000 0.020 0.000 0.945 153 F CB 1.814 40.816 39.000 0.003 0.000 1.298 153 F HN 0.330 nan 8.300 nan 0.000 0.455 154 H N 1.655 120.808 119.070 0.138 0.000 3.172 154 H HA 0.374 4.929 4.556 -0.002 0.000 0.322 154 H C -0.748 174.667 175.328 0.146 0.000 1.003 154 H CA -0.781 55.278 56.048 0.018 0.000 1.466 154 H CB 0.636 30.291 29.762 -0.177 0.000 1.673 154 H HN 0.841 nan 8.280 nan 0.000 0.512 155 N N 2.744 121.348 118.700 -0.161 0.000 2.727 155 N HA -0.238 4.501 4.740 -0.001 0.000 0.249 155 N C -0.712 174.865 175.510 0.112 0.000 1.048 155 N CA 0.480 53.472 53.050 -0.096 0.000 0.714 155 N CB -0.308 38.029 38.487 -0.250 0.000 0.959 155 N HN 0.610 nan 8.380 nan 0.000 0.544 156 E N 0.371 120.707 120.200 0.226 0.000 2.349 156 E HA 0.438 4.787 4.350 -0.001 0.000 0.265 156 E C 0.759 177.506 176.600 0.245 0.000 1.064 156 E CA -0.054 56.480 56.400 0.223 0.000 0.886 156 E CB 0.730 30.546 29.700 0.193 0.000 1.036 156 E HN 0.306 nan 8.360 nan 0.000 0.413 157 G N 3.233 112.156 108.800 0.206 0.000 2.441 157 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.243 157 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.243 157 G C 0.606 175.576 174.900 0.117 0.000 1.281 157 G CA -0.382 44.812 45.100 0.158 0.000 0.854 157 G HN 0.758 nan 8.290 nan 0.000 0.560 158 W N 2.230 123.377 121.300 -0.255 0.000 2.317 158 W HA -0.267 4.392 4.660 -0.001 0.000 0.318 158 W C 2.270 178.688 176.519 -0.168 0.000 1.227 158 W CA 2.549 59.746 57.345 -0.248 0.000 1.269 158 W CB -0.686 28.512 29.460 -0.437 0.000 1.155 158 W HN 0.635 nan 8.180 nan 0.000 0.484 159 S N 0.472 116.169 115.700 -0.005 0.000 2.387 159 S HA -0.209 4.260 4.470 -0.001 0.000 0.226 159 S C 2.155 176.696 174.600 -0.099 0.000 1.026 159 S CA 1.882 60.022 58.200 -0.100 0.000 0.972 159 S CB -1.066 62.140 63.200 0.011 0.000 0.814 159 S HN 0.351 nan 8.310 nan 0.000 0.477 160 S N 2.276 118.000 115.700 0.040 0.000 2.368 160 S HA -0.042 4.427 4.470 -0.001 0.000 0.225 160 S C 1.878 176.458 174.600 -0.033 0.000 1.030 160 S CA 1.077 59.330 58.200 0.089 0.000 0.999 160 S CB -0.893 62.506 63.200 0.330 0.000 0.844 160 S HN 0.464 nan 8.310 nan 0.000 0.459 161 L N 0.582 121.737 121.223 -0.113 0.000 2.072 161 L HA 0.214 4.553 4.340 -0.001 0.000 0.205 161 L C 2.231 178.913 176.870 -0.313 0.000 1.079 161 L CA 1.329 56.028 54.840 -0.235 0.000 0.752 161 L CB -0.760 41.088 42.059 -0.352 0.000 0.906 161 L HN 0.256 nan 8.230 nan 0.000 0.436 162 L N -0.131 120.827 121.223 -0.441 0.000 2.017 162 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 162 L C 2.814 179.589 176.870 -0.159 0.000 1.073 162 L CA 1.969 56.555 54.840 -0.423 0.000 0.745 162 L CB -0.761 40.888 42.059 -0.684 0.000 0.894 162 L HN 0.304 nan 8.230 nan 0.000 0.432 163 R N -1.254 119.149 120.500 -0.161 0.000 2.105 163 R HA -0.175 4.164 4.340 -0.001 0.000 0.239 163 R C 2.125 178.382 176.300 -0.072 0.000 1.135 163 R CA 1.958 58.002 56.100 -0.093 0.000 0.967 163 R CB -0.328 29.927 30.300 -0.075 0.000 0.861 163 R HN 0.338 nan 8.270 nan 0.000 0.442 164 T N 0.126 114.614 114.554 -0.110 0.000 2.652 164 T HA -0.143 4.206 4.350 -0.001 0.000 0.267 164 T C 1.810 176.434 174.700 -0.127 0.000 1.039 164 T CA 1.731 63.755 62.100 -0.126 0.000 1.153 164 T CB -0.243 68.538 68.868 -0.146 0.000 0.863 164 T HN 0.057 nan 8.240 nan 0.000 0.428 165 V N 1.268 121.094 119.914 -0.148 0.000 2.261 165 V HA -0.225 3.894 4.120 -0.001 0.000 0.246 165 V C 2.388 178.381 176.094 -0.168 0.000 1.047 165 V CA 1.672 63.867 62.300 -0.175 0.000 1.015 165 V CB -0.861 30.812 31.823 -0.251 0.000 0.642 165 V HN 0.601 nan 8.190 nan 0.000 0.446 166 H N 0.985 119.927 119.070 -0.212 0.000 2.321 166 H HA -0.194 4.361 4.556 -0.002 0.000 0.295 166 H C 2.670 177.938 175.328 -0.100 0.000 1.102 166 H CA 2.327 58.274 56.048 -0.168 0.000 1.266 166 H CB -0.336 29.349 29.762 -0.129 0.000 1.363 166 H HN 0.634 nan 8.280 nan 0.000 0.492 167 S N 0.457 116.169 115.700 0.020 0.000 2.400 167 S HA -0.109 4.360 4.470 -0.001 0.000 0.232 167 S C 2.325 176.910 174.600 -0.024 0.000 1.025 167 S CA 1.514 59.697 58.200 -0.028 0.000 0.993 167 S CB -0.823 62.316 63.200 -0.102 0.000 0.808 167 S HN 0.132 nan 8.310 nan 0.000 0.478 168 V N 1.810 121.705 119.914 -0.032 0.000 2.346 168 V HA 0.045 4.165 4.120 -0.001 0.000 0.244 168 V C 2.512 178.656 176.094 0.083 0.000 1.037 168 V CA 1.400 63.739 62.300 0.065 0.000 1.029 168 V CB -0.818 31.027 31.823 0.037 0.000 0.663 168 V HN 0.446 nan 8.190 nan 0.000 0.454 169 L N 0.352 121.571 121.223 -0.005 0.000 2.201 169 L HA -0.127 4.212 4.340 -0.001 0.000 0.212 169 L C 1.984 178.884 176.870 0.049 0.000 1.105 169 L CA 1.716 56.555 54.840 -0.003 0.000 0.775 169 L CB -0.621 41.376 42.059 -0.103 0.000 0.913 169 L HN 0.472 nan 8.230 nan 0.000 0.440 170 N N -0.950 117.789 118.700 0.065 0.000 2.414 170 N HA 0.041 4.780 4.740 -0.001 0.000 0.177 170 N C 1.340 176.919 175.510 0.116 0.000 1.062 170 N CA -0.042 53.063 53.050 0.091 0.000 0.890 170 N CB 0.393 38.937 38.487 0.094 0.000 1.070 170 N HN 0.172 nan 8.380 nan 0.000 0.454 171 R N 0.441 121.031 120.500 0.150 0.000 2.362 171 R HA 0.277 4.616 4.340 -0.001 0.000 0.227 171 R C -0.223 176.254 176.300 0.295 0.000 0.905 171 R CA 0.156 56.386 56.100 0.217 0.000 1.067 171 R CB 0.744 31.171 30.300 0.211 0.000 1.078 171 R HN -0.022 nan 8.270 nan 0.000 0.516 172 S N 2.092 117.931 115.700 0.233 0.000 2.454 172 S HA 0.399 4.868 4.470 -0.001 0.000 0.306 172 S C -2.593 172.039 174.600 0.053 0.000 1.100 172 S CA -1.337 56.934 58.200 0.120 0.000 1.087 172 S CB 2.312 65.598 63.200 0.142 0.000 1.019 172 S HN -0.099 nan 8.310 nan 0.000 0.480 173 P HA 0.143 nan 4.420 nan 0.000 0.269 173 P C -1.656 175.669 177.300 0.041 0.000 1.252 173 P CA -1.161 61.987 63.100 0.081 0.000 0.780 173 P CB 0.150 31.939 31.700 0.148 0.000 0.829 174 P HA -0.283 nan 4.420 nan 0.000 0.219 174 P C 1.114 178.430 177.300 0.028 0.000 1.153 174 P CA 1.859 64.984 63.100 0.040 0.000 0.865 174 P CB 0.079 31.810 31.700 0.051 0.000 0.788 175 E N 0.253 120.485 120.200 0.053 0.000 2.150 175 E HA -0.112 4.237 4.350 -0.001 0.000 0.193 175 E C 2.066 178.669 176.600 0.006 0.000 0.985 175 E CA 0.729 57.158 56.400 0.048 0.000 0.814 175 E CB -1.070 28.690 29.700 0.100 0.000 0.752 175 E HN 0.265 nan 8.360 nan 0.000 0.466 176 L N 1.400 122.600 121.223 -0.039 0.000 2.599 176 L HA 0.093 4.432 4.340 -0.001 0.000 0.230 176 L C 0.105 176.892 176.870 -0.138 0.000 1.141 176 L CA -0.134 54.623 54.840 -0.139 0.000 0.877 176 L CB 0.552 42.429 42.059 -0.304 0.000 1.009 176 L HN -0.010 nan 8.230 nan 0.000 0.447 177 V N 0.210 120.074 119.914 -0.083 0.000 2.294 177 V HA 0.313 4.432 4.120 -0.001 0.000 0.272 177 V C 1.079 177.146 176.094 -0.046 0.000 1.027 177 V CA -0.026 62.231 62.300 -0.072 0.000 0.823 177 V CB 1.015 32.813 31.823 -0.041 0.000 1.030 177 V HN 0.205 nan 8.190 nan 0.000 0.457 178 A N 4.562 127.348 122.820 -0.056 0.000 1.873 178 A HA 0.042 4.362 4.320 -0.001 0.000 0.215 178 A C 0.814 178.381 177.584 -0.027 0.000 1.186 178 A CA 1.497 53.511 52.037 -0.039 0.000 0.616 178 A CB 0.038 19.011 19.000 -0.046 0.000 0.823 178 A HN 0.926 nan 8.150 nan 0.000 0.442 179 E N -2.020 118.159 120.200 -0.036 0.000 2.392 179 E HA 0.512 4.861 4.350 -0.001 0.000 0.281 179 E C -1.777 174.804 176.600 -0.032 0.000 1.088 179 E CA -0.784 55.602 56.400 -0.023 0.000 0.850 179 E CB 0.442 30.131 29.700 -0.017 0.000 1.267 179 E HN 0.117 nan 8.360 nan 0.000 0.438 180 I N 2.146 122.706 120.570 -0.017 0.000 2.390 180 I HA 0.277 4.446 4.170 -0.001 0.000 0.283 180 I C -0.776 175.339 176.117 -0.005 0.000 1.016 180 I CA -1.154 60.133 61.300 -0.021 0.000 1.151 180 I CB 1.731 39.719 38.000 -0.021 0.000 1.293 180 I HN 0.312 nan 8.210 nan 0.000 0.458 181 V N 7.355 127.263 119.914 -0.010 0.000 2.333 181 V HA 0.359 4.478 4.120 -0.001 0.000 0.274 181 V C 0.245 176.371 176.094 0.055 0.000 1.028 181 V CA -0.542 61.770 62.300 0.020 0.000 0.851 181 V CB 1.162 32.989 31.823 0.007 0.000 1.000 181 V HN 0.483 nan 8.190 nan 0.000 0.456 182 L N 5.422 126.709 121.223 0.107 0.000 2.305 182 L HA 0.566 4.905 4.340 -0.001 0.000 0.281 182 L C -0.406 176.596 176.870 0.220 0.000 1.085 182 L CA -0.594 54.380 54.840 0.223 0.000 0.813 182 L CB 1.376 43.602 42.059 0.278 0.000 1.157 182 L HN 0.356 nan 8.230 nan 0.000 0.436 183 V N 1.419 121.424 119.914 0.152 0.000 2.326 183 V HA 0.149 4.268 4.120 -0.001 0.000 0.281 183 V C -0.270 175.539 176.094 -0.475 0.000 1.015 183 V CA -0.635 61.633 62.300 -0.054 0.000 0.823 183 V CB 1.451 33.268 31.823 -0.010 0.000 1.009 183 V HN 0.647 nan 8.190 nan 0.000 0.436 184 D N 3.538 123.576 120.400 -0.603 0.000 2.338 184 D HA 0.055 4.694 4.640 -0.001 0.000 0.255 184 D C -0.036 176.004 176.300 -0.434 0.000 1.237 184 D CA -0.026 53.371 54.000 -1.005 0.000 0.883 184 D CB 1.178 41.726 40.800 -0.420 0.000 1.087 184 D HN 0.600 nan 8.370 nan 0.000 0.485 185 D N 4.066 124.240 120.400 -0.377 0.000 2.631 185 D HA 0.040 4.679 4.640 -0.001 0.000 0.227 185 D C -0.076 176.345 176.300 0.200 0.000 1.146 185 D CA -0.568 53.399 54.000 -0.055 0.000 1.009 185 D CB -1.097 39.667 40.800 -0.060 0.000 1.057 185 D HN 0.373 nan 8.370 nan 0.000 0.509 186 F N 1.220 121.143 119.950 -0.045 0.000 3.067 186 F HA -0.299 4.227 4.527 -0.002 0.000 0.279 186 F C -0.175 175.653 175.800 0.047 0.000 0.945 186 F CA 0.258 58.268 58.000 0.016 0.000 0.948 186 F CB -1.847 37.176 39.000 0.038 0.000 0.898 186 F HN 0.053 nan 8.300 nan 0.000 0.746 187 S N 1.015 116.653 115.700 -0.104 0.000 2.562 187 S HA 0.224 4.693 4.470 -0.001 0.000 0.281 187 S C 1.012 175.444 174.600 -0.280 0.000 1.333 187 S CA 0.146 58.215 58.200 -0.218 0.000 1.052 187 S CB 0.818 63.955 63.200 -0.106 0.000 0.884 187 S HN 0.495 nan 8.310 nan 0.000 0.506 188 D N 0.089 120.334 120.400 -0.259 0.000 2.398 188 D HA 0.049 4.688 4.640 -0.001 0.000 0.210 188 D C 0.062 176.262 176.300 -0.166 0.000 1.094 188 D CA -0.310 53.559 54.000 -0.220 0.000 0.839 188 D CB 0.300 41.004 40.800 -0.159 0.000 0.963 188 D HN 0.088 nan 8.370 nan 0.000 0.506 189 R N 1.365 121.748 120.500 -0.195 0.000 2.298 189 R HA 0.129 4.468 4.340 -0.001 0.000 0.310 189 R C 1.001 177.136 176.300 -0.275 0.000 1.068 189 R CA -0.269 55.694 56.100 -0.229 0.000 0.957 189 R CB 1.136 31.230 30.300 -0.344 0.000 1.003 189 R HN 0.090 nan 8.270 nan 0.000 0.454 190 E N 2.050 122.154 120.200 -0.160 0.000 2.097 190 E HA -0.223 4.126 4.350 -0.001 0.000 0.196 190 E C 1.556 178.104 176.600 -0.086 0.000 1.000 190 E CA 1.871 58.213 56.400 -0.097 0.000 0.804 190 E CB -0.073 29.606 29.700 -0.035 0.000 0.740 190 E HN 0.690 nan 8.360 nan 0.000 0.454 191 H N -1.519 117.553 119.070 0.003 0.000 2.543 191 H HA -0.047 4.508 4.556 -0.001 0.000 0.286 191 H C 1.324 176.768 175.328 0.193 0.000 1.037 191 H CA 0.601 56.658 56.048 0.016 0.000 1.250 191 H CB -0.131 29.612 29.762 -0.032 0.000 1.373 191 H HN 0.018 nan 8.280 nan 0.000 0.580 192 L N 0.385 121.522 121.223 -0.143 0.000 2.653 192 L HA 0.220 4.559 4.340 -0.001 0.000 0.231 192 L C 0.927 177.861 176.870 0.106 0.000 1.153 192 L CA 0.348 55.215 54.840 0.045 0.000 0.933 192 L CB -0.213 41.840 42.059 -0.009 0.000 1.175 192 L HN 0.269 nan 8.230 nan 0.000 0.473 193 K N -1.061 119.382 120.400 0.072 0.000 4.447 193 K HA 0.196 4.515 4.320 -0.001 0.000 0.186 193 K C 1.313 177.974 176.600 0.102 0.000 1.136 193 K CA -0.643 55.684 56.287 0.067 0.000 1.893 193 K CB 0.081 32.588 32.500 0.013 0.000 2.651 193 K HN -0.314 nan 8.250 nan 0.000 0.552 194 K N 1.220 121.665 120.400 0.075 0.000 2.020 194 K HA -0.098 4.221 4.320 -0.001 0.000 0.212 194 K C -0.684 175.997 176.600 0.134 0.000 1.050 194 K CA 1.825 58.164 56.287 0.086 0.000 0.929 194 K CB -1.460 31.072 32.500 0.052 0.000 0.714 194 K HN 0.057 nan 8.250 nan 0.000 0.443 195 P HA -0.179 nan 4.420 nan 0.000 0.215 195 P C 1.528 179.088 177.300 0.432 0.000 1.157 195 P CA 0.977 64.197 63.100 0.200 0.000 0.874 195 P CB -0.026 31.684 31.700 0.016 0.000 0.790 196 L N 0.050 121.556 121.223 0.471 0.000 2.042 196 L HA -0.204 4.135 4.340 -0.001 0.000 0.210 196 L C 2.109 179.161 176.870 0.302 0.000 1.076 196 L CA 1.929 57.016 54.840 0.411 0.000 0.749 196 L CB -1.298 40.918 42.059 0.262 0.000 0.893 196 L HN -0.023 nan 8.230 nan 0.000 0.432 197 E N -0.696 119.644 120.200 0.233 0.000 2.038 197 E HA -0.237 4.112 4.350 -0.001 0.000 0.195 197 E C 1.835 178.547 176.600 0.185 0.000 1.000 197 E CA 1.467 57.975 56.400 0.180 0.000 0.803 197 E CB -0.278 29.502 29.700 0.133 0.000 0.750 197 E HN 0.551 nan 8.360 nan 0.000 0.448 198 D N 0.025 120.543 120.400 0.196 0.000 2.144 198 D HA -0.175 4.465 4.640 -0.001 0.000 0.199 198 D C 1.786 178.213 176.300 0.211 0.000 0.984 198 D CA 0.990 55.091 54.000 0.168 0.000 0.834 198 D CB -0.340 40.552 40.800 0.153 0.000 0.955 198 D HN 0.199 nan 8.370 nan 0.000 0.465 199 Y N 0.767 121.201 120.300 0.223 0.000 2.163 199 Y HA -0.169 4.380 4.550 -0.002 0.000 0.288 199 Y C 2.235 178.307 175.900 0.286 0.000 1.136 199 Y CA 1.285 59.548 58.100 0.272 0.000 1.147 199 Y CB -0.013 38.662 38.460 0.359 0.000 0.987 199 Y HN -0.172 nan 8.280 nan 0.000 0.509 200 M N -0.347 119.478 119.600 0.375 0.000 2.394 200 M HA -0.043 4.437 4.480 -0.001 0.000 0.264 200 M C 2.370 178.788 176.300 0.197 0.000 1.073 200 M CA 1.197 56.688 55.300 0.319 0.000 1.111 200 M CB -1.676 31.051 32.600 0.211 0.000 1.401 200 M HN 0.434 nan 8.290 nan 0.000 0.448 201 A N 0.578 123.462 122.820 0.106 0.000 1.978 201 A HA -0.119 4.200 4.320 -0.001 0.000 0.220 201 A C 2.135 179.671 177.584 -0.079 0.000 1.170 201 A CA 1.154 53.207 52.037 0.026 0.000 0.636 201 A CB -0.918 18.095 19.000 0.021 0.000 0.810 201 A HN 0.523 nan 8.150 nan 0.000 0.448 202 L N -1.871 119.230 121.223 -0.203 0.000 2.549 202 L HA 0.029 4.368 4.340 -0.001 0.000 0.229 202 L C -0.302 176.092 176.870 -0.793 0.000 1.158 202 L CA 0.178 54.719 54.840 -0.498 0.000 0.842 202 L CB -0.382 41.262 42.059 -0.692 0.000 0.952 202 L HN 0.286 nan 8.230 nan 0.000 0.452 203 F N -0.579 119.302 119.950 -0.115 0.000 2.366 203 F HA 0.341 4.867 4.527 -0.002 0.000 0.366 203 F C -1.481 174.286 175.800 -0.056 0.000 1.096 203 F CA -2.222 55.720 58.000 -0.096 0.000 1.060 203 F CB 0.855 39.784 39.000 -0.119 0.000 1.282 203 F HN -0.272 nan 8.300 nan 0.000 0.450 204 P HA -0.247 nan 4.420 nan 0.000 0.213 204 P C 1.677 179.006 177.300 0.050 0.000 1.176 204 P CA 2.330 65.445 63.100 0.025 0.000 0.919 204 P CB 0.103 31.805 31.700 0.004 0.000 0.791 205 S N -1.617 114.120 115.700 0.062 0.000 2.469 205 S HA -0.053 4.416 4.470 -0.001 0.000 0.238 205 S C 0.926 175.553 174.600 0.045 0.000 0.998 205 S CA 0.525 58.752 58.200 0.045 0.000 0.957 205 S CB -1.315 61.908 63.200 0.038 0.000 0.764 205 S HN -0.094 nan 8.310 nan 0.000 0.514 206 V N 2.620 122.578 119.914 0.073 0.000 2.546 206 V HA 0.492 4.611 4.120 -0.001 0.000 0.284 206 V C 0.276 176.409 176.094 0.066 0.000 1.050 206 V CA -0.544 61.792 62.300 0.060 0.000 0.981 206 V CB 1.038 32.904 31.823 0.073 0.000 0.990 206 V HN 0.471 nan 8.190 nan 0.000 0.474 207 R N 4.607 125.141 120.500 0.056 0.000 2.604 207 R HA 0.639 4.978 4.340 -0.001 0.000 0.281 207 R C -1.770 174.577 176.300 0.079 0.000 1.020 207 R CA -0.711 55.426 56.100 0.062 0.000 0.899 207 R CB 1.770 32.096 30.300 0.045 0.000 1.205 207 R HN 0.685 nan 8.270 nan 0.000 0.450 208 I N 4.591 125.217 120.570 0.093 0.000 2.404 208 I HA 0.383 4.552 4.170 -0.001 0.000 0.293 208 I C -0.940 175.233 176.117 0.093 0.000 0.992 208 I CA -1.142 60.232 61.300 0.123 0.000 1.149 208 I CB 1.850 39.942 38.000 0.153 0.000 1.315 208 I HN 0.409 nan 8.210 nan 0.000 0.446 209 L N 7.188 128.462 121.223 0.084 0.000 2.446 209 L HA 0.540 4.879 4.340 -0.001 0.000 0.268 209 L C -0.723 176.164 176.870 0.028 0.000 0.975 209 L CA -0.222 54.651 54.840 0.054 0.000 0.848 209 L CB 1.178 43.265 42.059 0.048 0.000 1.225 209 L HN 0.520 nan 8.230 nan 0.000 0.410 210 R N 1.638 122.156 120.500 0.030 0.000 2.573 210 R HA 0.769 5.108 4.340 -0.001 0.000 0.272 210 R C -0.065 176.254 176.300 0.031 0.000 1.009 210 R CA -0.360 55.747 56.100 0.011 0.000 1.059 210 R CB 1.306 31.626 30.300 0.033 0.000 1.112 210 R HN 0.746 nan 8.270 nan 0.000 0.517 211 T N -1.476 113.104 114.554 0.044 0.000 2.936 211 T HA 0.284 4.633 4.350 -0.001 0.000 0.282 211 T C 0.596 175.365 174.700 0.116 0.000 1.003 211 T CA -0.894 61.239 62.100 0.056 0.000 1.005 211 T CB 1.378 70.264 68.868 0.029 0.000 1.097 211 T HN 0.304 nan 8.240 nan 0.000 0.532 212 K N 0.179 120.612 120.400 0.054 0.000 2.361 212 K HA 0.246 4.565 4.320 -0.001 0.000 0.196 212 K C 0.374 176.905 176.600 -0.115 0.000 1.039 212 K CA 0.638 56.956 56.287 0.052 0.000 1.001 212 K CB 0.016 32.519 32.500 0.005 0.000 0.795 212 K HN 0.808 nan 8.250 nan 0.000 0.495 213 K N -1.672 118.545 120.400 -0.305 0.000 2.578 213 K HA 0.427 4.747 4.320 -0.001 0.000 0.287 213 K C -1.199 175.075 176.600 -0.544 0.000 1.010 213 K CA -1.253 54.513 56.287 -0.868 0.000 0.889 213 K CB 0.844 33.008 32.500 -0.559 0.000 1.514 213 K HN -0.331 nan 8.250 nan 0.000 0.424 214 R N 1.517 121.658 120.500 -0.598 0.000 2.483 214 R HA -0.015 4.324 4.340 -0.001 0.000 0.329 214 R C 0.113 176.320 176.300 -0.156 0.000 0.961 214 R CA 0.732 56.721 56.100 -0.184 0.000 1.041 214 R CB 0.027 30.265 30.300 -0.103 0.000 0.930 214 R HN 0.719 nan 8.270 nan 0.000 0.413 215 E N 2.577 122.712 120.200 -0.108 0.000 2.206 215 E HA 0.220 4.569 4.350 -0.001 0.000 0.195 215 E C 0.627 177.172 176.600 -0.090 0.000 0.935 215 E CA 1.018 57.365 56.400 -0.087 0.000 0.875 215 E CB 0.138 29.803 29.700 -0.057 0.000 0.841 215 E HN 0.822 nan 8.360 nan 0.000 0.477 216 G N 0.962 109.692 108.800 -0.117 0.000 2.479 216 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.686 216 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.686 216 G C 0.452 175.277 174.900 -0.124 0.000 1.295 216 G CA -0.217 44.806 45.100 -0.129 0.000 0.922 216 G HN 0.141 nan 8.290 nan 0.000 0.582 217 L N -0.971 120.174 121.223 -0.130 0.000 2.056 217 L HA 0.215 4.554 4.340 -0.001 0.000 0.207 217 L C 2.642 179.391 176.870 -0.201 0.000 1.078 217 L CA 2.403 57.155 54.840 -0.146 0.000 0.749 217 L CB -0.873 41.105 42.059 -0.135 0.000 0.901 217 L HN 0.596 nan 8.230 nan 0.000 0.433 218 I N 0.292 120.706 120.570 -0.260 0.000 2.099 218 I HA -0.209 3.960 4.170 -0.001 0.000 0.239 218 I C 2.915 178.966 176.117 -0.109 0.000 1.066 218 I CA 1.625 62.718 61.300 -0.345 0.000 1.324 218 I CB -0.772 37.010 38.000 -0.363 0.000 1.037 218 I HN 0.186 nan 8.210 nan 0.000 0.401 219 R N -0.266 120.202 120.500 -0.053 0.000 2.096 219 R HA -0.127 4.212 4.340 -0.001 0.000 0.235 219 R C 2.266 178.595 176.300 0.048 0.000 1.127 219 R CA 1.840 57.956 56.100 0.027 0.000 0.968 219 R CB -0.630 29.672 30.300 0.004 0.000 0.861 219 R HN 0.401 nan 8.270 nan 0.000 0.440 220 T N 0.424 114.977 114.554 -0.002 0.000 2.746 220 T HA -0.104 4.245 4.350 -0.001 0.000 0.267 220 T C 1.699 176.447 174.700 0.080 0.000 1.039 220 T CA 1.064 63.171 62.100 0.012 0.000 1.142 220 T CB -0.083 68.760 68.868 -0.042 0.000 0.866 220 T HN 0.271 nan 8.240 nan 0.000 0.444 221 R N 0.259 120.805 120.500 0.077 0.000 2.189 221 R HA 0.096 4.435 4.340 -0.001 0.000 0.223 221 R C 2.325 178.834 176.300 0.349 0.000 1.092 221 R CA 0.755 56.978 56.100 0.206 0.000 0.989 221 R CB -0.201 30.045 30.300 -0.090 0.000 0.876 221 R HN 0.352 nan 8.270 nan 0.000 0.457 222 M N 0.173 119.951 119.600 0.296 0.000 2.156 222 M HA -0.097 4.382 4.480 -0.001 0.000 0.264 222 M C 2.226 178.763 176.300 0.395 0.000 1.067 222 M CA 1.044 56.587 55.300 0.405 0.000 1.131 222 M CB -0.773 32.048 32.600 0.368 0.000 1.368 222 M HN 0.120 nan 8.290 nan 0.000 0.416 223 L N 0.691 122.063 121.223 0.248 0.000 1.989 223 L HA -0.070 4.269 4.340 -0.001 0.000 0.211 223 L C 2.287 179.272 176.870 0.191 0.000 1.071 223 L CA 2.369 57.320 54.840 0.185 0.000 0.749 223 L CB -1.415 40.708 42.059 0.106 0.000 0.890 223 L HN 0.311 nan 8.230 nan 0.000 0.431 224 G N -1.053 107.855 108.800 0.179 0.000 2.446 224 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.217 224 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.217 224 G C 1.592 176.579 174.900 0.145 0.000 1.168 224 G CA 0.956 46.135 45.100 0.131 0.000 0.771 224 G HN 0.683 nan 8.290 nan 0.000 0.551 225 A N 1.005 123.969 122.820 0.240 0.000 2.019 225 A HA 0.010 4.329 4.320 -0.001 0.000 0.219 225 A C 2.620 180.567 177.584 0.605 0.000 1.164 225 A CA 2.358 54.563 52.037 0.280 0.000 0.644 225 A CB -0.543 18.600 19.000 0.238 0.000 0.805 225 A HN 0.803 nan 8.150 nan 0.000 0.449 226 S N -1.352 114.686 115.700 0.564 0.000 2.561 226 S HA 0.093 4.562 4.470 -0.001 0.000 0.225 226 S C 1.138 175.815 174.600 0.129 0.000 0.977 226 S CA 1.002 59.390 58.200 0.313 0.000 0.926 226 S CB 0.094 63.383 63.200 0.148 0.000 0.769 226 S HN 0.238 nan 8.310 nan 0.000 0.533 227 V N 0.627 120.623 119.914 0.138 0.000 3.612 227 V HA 0.442 4.561 4.120 -0.001 0.000 0.268 227 V C 1.428 177.556 176.094 0.057 0.000 1.365 227 V CA 0.092 62.434 62.300 0.069 0.000 1.044 227 V CB -0.461 31.395 31.823 0.056 0.000 0.820 227 V HN 0.629 nan 8.190 nan 0.000 0.444 228 A N 1.224 124.086 122.820 0.069 0.000 2.547 228 A HA 0.288 4.608 4.320 -0.001 0.000 0.233 228 A C 1.345 178.949 177.584 0.034 0.000 1.067 228 A CA 1.142 53.193 52.037 0.023 0.000 0.763 228 A CB 0.088 19.077 19.000 -0.020 0.000 1.007 228 A HN 0.582 nan 8.150 nan 0.000 0.506 229 T N -0.770 113.788 114.554 0.007 0.000 2.986 229 T HA 0.385 4.735 4.350 -0.001 0.000 0.264 229 T C 0.869 175.569 174.700 -0.001 0.000 0.964 229 T CA 0.630 62.737 62.100 0.011 0.000 0.895 229 T CB -0.384 68.487 68.868 0.005 0.000 1.163 229 T HN 1.237 nan 8.240 nan 0.000 0.517 230 G N 0.881 109.667 108.800 -0.024 0.000 2.606 230 G HA2 0.314 4.273 3.960 -0.001 0.000 0.252 230 G HA3 0.314 4.273 3.960 -0.001 0.000 0.252 230 G C 0.272 175.153 174.900 -0.030 0.000 1.206 230 G CA -0.293 44.782 45.100 -0.040 0.000 0.861 230 G HN 0.093 nan 8.290 nan 0.000 0.561 231 D N -1.173 119.205 120.400 -0.035 0.000 2.123 231 D HA -0.125 4.514 4.640 -0.001 0.000 0.196 231 D C 1.492 177.776 176.300 -0.027 0.000 0.992 231 D CA 1.717 55.704 54.000 -0.021 0.000 0.833 231 D CB 0.040 40.822 40.800 -0.030 0.000 0.954 231 D HN 0.297 nan 8.370 nan 0.000 0.455 232 V N -1.170 118.701 119.914 -0.073 0.000 2.864 232 V HA 0.516 4.636 4.120 -0.001 0.000 0.314 232 V C -0.532 175.458 176.094 -0.174 0.000 1.073 232 V CA -1.015 61.228 62.300 -0.095 0.000 0.956 232 V CB 2.475 34.236 31.823 -0.104 0.000 1.023 232 V HN -0.117 nan 8.190 nan 0.000 0.435 233 I N 3.278 123.698 120.570 -0.250 0.000 2.336 233 I HA 0.478 4.647 4.170 -0.001 0.000 0.292 233 I C 0.098 175.894 176.117 -0.535 0.000 0.991 233 I CA -0.144 60.883 61.300 -0.457 0.000 1.227 233 I CB 1.897 39.484 38.000 -0.688 0.000 1.366 233 I HN 0.707 nan 8.210 nan 0.000 0.466 234 T N 6.225 120.452 114.554 -0.545 0.000 2.779 234 T HA 0.535 4.884 4.350 -0.001 0.000 0.280 234 T C -0.574 173.765 174.700 -0.601 0.000 0.987 234 T CA -0.309 61.525 62.100 -0.443 0.000 0.966 234 T CB 0.641 69.384 68.868 -0.208 0.000 0.933 234 T HN 0.121 nan 8.240 nan 0.000 0.442 235 F N 2.820 122.458 119.950 -0.520 0.000 2.450 235 F HA 0.726 5.252 4.527 -0.001 0.000 0.332 235 F C -0.254 175.342 175.800 -0.339 0.000 1.093 235 F CA -0.951 56.751 58.000 -0.496 0.000 1.003 235 F CB 1.306 39.831 39.000 -0.792 0.000 1.151 235 F HN 0.191 nan 8.300 nan 0.000 0.474 236 L N 2.022 123.231 121.223 -0.022 0.000 2.415 236 L HA 0.442 4.781 4.340 -0.001 0.000 0.256 236 L C -0.790 176.041 176.870 -0.065 0.000 1.010 236 L CA -0.750 54.050 54.840 -0.068 0.000 0.826 236 L CB 1.894 43.897 42.059 -0.094 0.000 1.405 236 L HN 0.419 nan 8.230 nan 0.000 0.410 237 D N -0.813 119.533 120.400 -0.090 0.000 2.387 237 D HA 0.311 4.951 4.640 -0.001 0.000 0.251 237 D C 0.573 176.708 176.300 -0.275 0.000 1.141 237 D CA 0.134 54.039 54.000 -0.158 0.000 0.987 237 D CB 1.362 42.113 40.800 -0.082 0.000 1.116 237 D HN 0.531 nan 8.370 nan 0.000 0.491 238 S N -0.143 115.301 115.700 -0.427 0.000 2.720 238 S HA -0.045 4.424 4.470 -0.001 0.000 0.222 238 S C 0.423 174.832 174.600 -0.318 0.000 0.958 238 S CA 0.032 58.049 58.200 -0.304 0.000 0.943 238 S CB -0.583 62.546 63.200 -0.119 0.000 0.779 238 S HN 0.564 nan 8.310 nan 0.000 0.526 239 H N -1.266 117.776 119.070 -0.047 0.000 2.597 239 H HA 0.550 5.105 4.556 -0.002 0.000 0.225 239 H C -0.954 174.230 175.328 -0.241 0.000 1.422 239 H CA -0.860 55.090 56.048 -0.164 0.000 1.335 239 H CB -0.963 28.659 29.762 -0.233 0.000 1.783 239 H HN 0.231 nan 8.280 nan 0.000 0.513 240 C N 0.314 119.557 119.300 -0.096 0.000 2.973 240 C HA 0.569 5.028 4.460 -0.001 0.000 0.329 240 C C -0.094 174.823 174.990 -0.122 0.000 1.327 240 C CA -0.627 58.331 59.018 -0.099 0.000 1.632 240 C CB 2.378 30.055 27.740 -0.106 0.000 2.098 240 C HN 0.724 nan 8.230 nan 0.000 0.469 241 E N 0.476 120.608 120.200 -0.114 0.000 2.361 241 E HA 0.486 4.835 4.350 -0.001 0.000 0.270 241 E C -0.888 175.612 176.600 -0.167 0.000 0.911 241 E CA -0.067 56.270 56.400 -0.104 0.000 0.818 241 E CB 1.550 31.255 29.700 0.008 0.000 1.332 241 E HN 0.846 nan 8.360 nan 0.000 0.402 242 A N 3.460 126.041 122.820 -0.397 0.000 2.462 242 A HA 0.220 4.539 4.320 -0.001 0.000 0.243 242 A C 0.251 177.638 177.584 -0.328 0.000 1.076 242 A CA -0.195 51.424 52.037 -0.696 0.000 0.773 242 A CB 0.378 18.390 19.000 -1.647 0.000 1.010 242 A HN 0.542 nan 8.150 nan 0.000 0.493 243 N N 0.201 118.811 118.700 -0.150 0.000 2.448 243 N HA 0.217 4.956 4.740 -0.001 0.000 0.274 243 N C -0.165 175.420 175.510 0.124 0.000 1.239 243 N CA -0.571 52.481 53.050 0.004 0.000 0.982 243 N CB 1.275 39.812 38.487 0.084 0.000 1.199 243 N HN 0.490 nan 8.380 nan 0.000 0.576 244 V N 2.783 122.772 119.914 0.125 0.000 2.509 244 V HA -0.033 4.086 4.120 -0.001 0.000 0.297 244 V C 0.043 176.289 176.094 0.253 0.000 1.014 244 V CA 0.285 62.698 62.300 0.189 0.000 1.127 244 V CB -1.023 30.898 31.823 0.163 0.000 0.925 244 V HN 0.915 nan 8.190 nan 0.000 0.480 245 N N 6.577 125.426 118.700 0.248 0.000 2.641 245 N HA -0.178 4.561 4.740 -0.001 0.000 0.267 245 N C 0.193 175.760 175.510 0.095 0.000 1.087 245 N CA 1.271 54.388 53.050 0.113 0.000 0.731 245 N CB -0.835 37.652 38.487 -0.001 0.000 0.886 245 N HN 0.937 nan 8.380 nan 0.000 0.547 246 W N 0.214 121.473 121.300 -0.068 0.000 2.640 246 W HA 0.242 4.901 4.660 -0.002 0.000 0.271 246 W C 1.295 177.712 176.519 -0.169 0.000 1.218 246 W CA 0.134 57.429 57.345 -0.084 0.000 1.382 246 W CB -1.165 28.273 29.460 -0.037 0.000 1.067 246 W HN 0.265 nan 8.180 nan 0.000 0.590 247 L N 2.952 123.317 121.223 -1.429 0.000 2.056 247 L HA 0.030 4.369 4.340 -0.001 0.000 0.207 247 L C -0.590 175.754 176.870 -0.878 0.000 1.078 247 L CA 2.062 56.056 54.840 -1.410 0.000 0.749 247 L CB -1.902 39.236 42.059 -1.536 0.000 0.901 247 L HN -0.278 nan 8.230 nan 0.000 0.433 248 P HA -0.091 nan 4.420 nan 0.000 0.215 248 P C -1.426 175.315 177.300 -0.931 0.000 1.157 248 P CA 1.825 64.363 63.100 -0.935 0.000 0.863 248 P CB -1.185 29.867 31.700 -1.080 0.000 0.787 249 P HA -0.084 nan 4.420 nan 0.000 0.225 249 P C 1.304 178.356 177.300 -0.413 0.000 1.148 249 P CA 1.227 63.802 63.100 -0.875 0.000 0.779 249 P CB -0.323 31.033 31.700 -0.574 0.000 0.780 250 L N -1.533 119.457 121.223 -0.388 0.000 2.202 250 L HA 0.040 4.379 4.340 -0.001 0.000 0.205 250 L C 2.721 179.440 176.870 -0.252 0.000 1.083 250 L CA 0.601 55.290 54.840 -0.251 0.000 0.790 250 L CB -0.596 41.322 42.059 -0.234 0.000 0.942 250 L HN -0.134 nan 8.230 nan 0.000 0.452 251 L N -0.526 120.490 121.223 -0.346 0.000 2.095 251 L HA -0.161 4.178 4.340 -0.001 0.000 0.204 251 L C 2.382 179.123 176.870 -0.214 0.000 1.080 251 L CA 1.014 55.681 54.840 -0.289 0.000 0.759 251 L CB -0.607 41.230 42.059 -0.369 0.000 0.914 251 L HN 0.347 nan 8.230 nan 0.000 0.439 252 D N 0.799 121.056 120.400 -0.239 0.000 2.103 252 D HA -0.286 4.353 4.640 -0.001 0.000 0.190 252 D C 2.180 178.449 176.300 -0.052 0.000 0.997 252 D CA 1.650 55.591 54.000 -0.098 0.000 0.833 252 D CB 0.086 40.887 40.800 0.000 0.000 0.961 252 D HN -0.025 nan 8.370 nan 0.000 0.447 253 R N 0.612 121.076 120.500 -0.060 0.000 2.119 253 R HA -0.081 4.259 4.340 -0.001 0.000 0.246 253 R C 2.469 178.737 176.300 -0.053 0.000 1.146 253 R CA 1.123 57.202 56.100 -0.035 0.000 0.962 253 R CB -0.903 29.372 30.300 -0.042 0.000 0.863 253 R HN 0.400 nan 8.270 nan 0.000 0.442 254 I N -0.380 120.145 120.570 -0.075 0.000 2.546 254 I HA -0.136 4.033 4.170 -0.001 0.000 0.255 254 I C 2.044 178.122 176.117 -0.065 0.000 1.163 254 I CA 0.929 62.186 61.300 -0.071 0.000 1.457 254 I CB -0.261 37.697 38.000 -0.070 0.000 1.092 254 I HN 0.249 nan 8.210 nan 0.000 0.434 255 A N 0.812 123.596 122.820 -0.059 0.000 1.969 255 A HA -0.136 4.183 4.320 -0.001 0.000 0.218 255 A C 2.279 179.844 177.584 -0.033 0.000 1.169 255 A CA 1.139 53.151 52.037 -0.043 0.000 0.635 255 A CB -0.238 18.742 19.000 -0.033 0.000 0.810 255 A HN 0.222 nan 8.150 nan 0.000 0.445 256 R N 0.110 120.593 120.500 -0.029 0.000 2.075 256 R HA 0.030 4.369 4.340 -0.001 0.000 0.226 256 R C -0.561 175.712 176.300 -0.045 0.000 1.114 256 R CA 0.855 56.942 56.100 -0.023 0.000 0.972 256 R CB -0.908 29.389 30.300 -0.005 0.000 0.869 256 R HN 0.595 nan 8.270 nan 0.000 0.437 257 N N 0.495 119.155 118.700 -0.066 0.000 2.617 257 N HA 0.209 4.948 4.740 -0.001 0.000 0.263 257 N C 0.220 175.642 175.510 -0.147 0.000 1.074 257 N CA -0.263 52.724 53.050 -0.105 0.000 0.841 257 N CB 1.922 40.348 38.487 -0.102 0.000 1.221 257 N HN -0.069 nan 8.380 nan 0.000 0.529 258 R N 1.559 121.960 120.500 -0.164 0.000 2.170 258 R HA -0.067 4.272 4.340 -0.001 0.000 0.242 258 R C 0.334 176.425 176.300 -0.349 0.000 1.145 258 R CA 1.406 57.396 56.100 -0.183 0.000 0.984 258 R CB 0.208 30.416 30.300 -0.153 0.000 0.869 258 R HN 0.355 nan 8.270 nan 0.000 0.455 259 K N -0.025 120.034 120.400 -0.568 0.000 2.446 259 K HA 0.086 4.406 4.320 -0.001 0.000 0.203 259 K C -0.527 175.772 176.600 -0.502 0.000 1.027 259 K CA 0.068 55.685 56.287 -1.116 0.000 1.166 259 K CB 1.027 32.672 32.500 -1.425 0.000 0.869 259 K HN 0.015 nan 8.250 nan 0.000 0.504 260 T N 1.653 116.059 114.554 -0.247 0.000 2.744 260 T HA 0.331 4.680 4.350 -0.001 0.000 0.291 260 T C 0.249 174.921 174.700 -0.047 0.000 0.957 260 T CA -0.426 61.586 62.100 -0.147 0.000 1.002 260 T CB 1.157 69.947 68.868 -0.130 0.000 0.919 260 T HN 0.049 nan 8.240 nan 0.000 0.468 261 I N 4.050 124.589 120.570 -0.052 0.000 2.395 261 I HA 0.336 4.505 4.170 -0.001 0.000 0.289 261 I C 0.333 176.419 176.117 -0.052 0.000 1.023 261 I CA -0.653 60.634 61.300 -0.022 0.000 1.350 261 I CB 1.077 39.008 38.000 -0.116 0.000 1.409 261 I HN 0.373 nan 8.210 nan 0.000 0.507 262 V N 3.693 123.613 119.914 0.010 0.000 2.555 262 V HA 0.592 4.711 4.120 -0.001 0.000 0.302 262 V C -0.575 175.553 176.094 0.056 0.000 1.038 262 V CA -0.603 61.694 62.300 -0.006 0.000 0.887 262 V CB 1.407 33.213 31.823 -0.028 0.000 0.991 262 V HN 0.805 nan 8.190 nan 0.000 0.434 263 C N 6.522 125.832 119.300 0.016 0.000 2.408 263 C HA 0.734 5.193 4.460 -0.001 0.000 0.321 263 C C -2.158 172.857 174.990 0.042 0.000 1.245 263 C CA -0.838 58.216 59.018 0.060 0.000 1.523 263 C CB 1.677 29.433 27.740 0.027 0.000 2.178 263 C HN 0.873 nan 8.230 nan 0.000 0.488 264 P HA 0.214 nan 4.420 nan 0.000 0.277 264 P C -0.809 176.549 177.300 0.098 0.000 1.271 264 P CA -0.230 62.934 63.100 0.107 0.000 0.795 264 P CB 0.550 32.350 31.700 0.167 0.000 1.101 265 M N 1.046 120.722 119.600 0.126 0.000 2.217 265 M HA 0.198 4.677 4.480 -0.001 0.000 0.352 265 M C 0.355 176.719 176.300 0.106 0.000 1.376 265 M CA 0.313 55.694 55.300 0.136 0.000 1.107 265 M CB -0.876 31.822 32.600 0.163 0.000 1.723 265 M HN 0.217 nan 8.290 nan 0.000 0.461 266 I N 4.015 124.643 120.570 0.096 0.000 2.291 266 I HA 0.138 4.307 4.170 -0.001 0.000 0.290 266 I C 0.251 176.419 176.117 0.086 0.000 1.050 266 I CA -0.463 60.885 61.300 0.081 0.000 1.245 266 I CB 0.578 38.624 38.000 0.076 0.000 1.405 266 I HN 0.491 nan 8.210 nan 0.000 0.478 267 D N 5.493 125.890 120.400 -0.006 0.000 2.348 267 D HA 0.350 4.990 4.640 -0.001 0.000 0.249 267 D C -0.013 176.211 176.300 -0.127 0.000 1.110 267 D CA -0.283 53.623 54.000 -0.157 0.000 0.967 267 D CB 2.275 42.781 40.800 -0.489 0.000 1.139 267 D HN 0.058 nan 8.370 nan 0.000 0.466 268 V N 1.209 121.018 119.914 -0.176 0.000 2.743 268 V HA 0.388 4.507 4.120 -0.001 0.000 0.301 268 V C 0.393 176.347 176.094 -0.234 0.000 1.057 268 V CA -0.562 61.704 62.300 -0.056 0.000 1.006 268 V CB 1.346 33.141 31.823 -0.047 0.000 1.024 268 V HN 0.336 nan 8.190 nan 0.000 0.473 269 I N 2.143 122.596 120.570 -0.194 0.000 2.468 269 I HA 0.254 4.423 4.170 -0.001 0.000 0.284 269 I C -0.515 175.385 176.117 -0.363 0.000 1.038 269 I CA -0.491 60.623 61.300 -0.310 0.000 1.083 269 I CB 1.697 39.434 38.000 -0.439 0.000 1.223 269 I HN 0.622 nan 8.210 nan 0.000 0.443 270 D N 4.606 124.842 120.400 -0.272 0.000 2.472 270 D HA -0.089 4.550 4.640 -0.001 0.000 0.248 270 D C 1.392 177.493 176.300 -0.332 0.000 1.174 270 D CA 0.359 54.197 54.000 -0.272 0.000 0.883 270 D CB 0.673 41.388 40.800 -0.142 0.000 1.149 270 D HN 0.564 nan 8.370 nan 0.000 0.488 271 H N 1.256 120.277 119.070 -0.082 0.000 2.570 271 H HA 0.072 4.627 4.556 -0.001 0.000 0.280 271 H C 0.024 175.555 175.328 0.338 0.000 1.038 271 H CA 0.587 56.661 56.048 0.043 0.000 1.186 271 H CB 0.144 29.997 29.762 0.152 0.000 1.339 271 H HN 0.318 nan 8.280 nan 0.000 0.615 272 D N -0.412 120.134 120.400 0.243 0.000 3.239 272 D HA -0.054 4.585 4.640 -0.001 0.000 0.265 272 D C 1.374 177.892 176.300 0.363 0.000 1.442 272 D CA 0.955 55.187 54.000 0.387 0.000 1.178 272 D CB -0.215 40.741 40.800 0.261 0.000 1.198 272 D HN 0.493 nan 8.370 nan 0.000 0.366 273 D N -0.470 120.095 120.400 0.276 0.000 2.349 273 D HA -0.000 4.639 4.640 -0.001 0.000 0.214 273 D C 0.135 176.680 176.300 0.407 0.000 1.063 273 D CA -0.286 53.891 54.000 0.296 0.000 0.847 273 D CB -0.267 40.657 40.800 0.206 0.000 0.933 273 D HN 0.083 nan 8.370 nan 0.000 0.513 274 F N 0.548 120.514 119.950 0.028 0.000 3.034 274 F HA -0.275 4.251 4.527 -0.002 0.000 0.286 274 F C 0.494 176.323 175.800 0.048 0.000 0.804 274 F CA 0.378 58.384 58.000 0.010 0.000 1.161 274 F CB -2.175 36.827 39.000 0.003 0.000 1.317 274 F HN 0.194 nan 8.300 nan 0.000 0.453 275 R N -0.112 120.484 120.500 0.161 0.000 2.643 275 R HA 0.363 4.702 4.340 -0.001 0.000 0.270 275 R C -0.388 175.990 176.300 0.130 0.000 1.061 275 R CA -0.328 55.858 56.100 0.144 0.000 1.107 275 R CB 0.595 30.957 30.300 0.104 0.000 0.999 275 R HN 0.239 nan 8.270 nan 0.000 0.460 276 Y N 1.668 121.981 120.300 0.022 0.000 2.330 276 Y HA 0.284 4.834 4.550 -0.001 0.000 0.336 276 Y C -0.982 174.928 175.900 0.017 0.000 1.036 276 Y CA -0.610 57.493 58.100 0.006 0.000 1.125 276 Y CB 1.174 39.641 38.460 0.011 0.000 1.194 276 Y HN 0.911 nan 8.280 nan 0.000 0.469 277 E N 2.422 122.569 120.200 -0.088 0.000 2.388 277 E HA 0.209 4.558 4.350 -0.001 0.000 0.281 277 E C -1.416 175.116 176.600 -0.114 0.000 1.046 277 E CA -1.137 55.266 56.400 0.005 0.000 0.825 277 E CB 1.146 30.869 29.700 0.039 0.000 1.243 277 E HN 0.489 nan 8.360 nan 0.000 0.438 278 T N 0.940 115.486 114.554 -0.013 0.000 2.903 278 T HA 0.028 4.378 4.350 -0.001 0.000 0.314 278 T C -0.017 174.671 174.700 -0.019 0.000 1.078 278 T CA 0.141 62.236 62.100 -0.008 0.000 1.114 278 T CB 0.422 69.320 68.868 0.049 0.000 0.987 278 T HN 0.412 nan 8.240 nan 0.000 0.548 279 Q N 1.521 121.312 119.800 -0.014 0.000 2.443 279 Q HA 0.493 4.833 4.340 -0.001 0.000 0.232 279 Q C 0.416 176.408 176.000 -0.014 0.000 1.026 279 Q CA -0.729 55.056 55.803 -0.031 0.000 0.924 279 Q CB 0.424 29.145 28.738 -0.029 0.000 1.256 279 Q HN 0.854 nan 8.270 nan 0.000 0.519 280 A N 0.692 123.497 122.820 -0.026 0.000 2.567 280 A HA 0.320 4.639 4.320 -0.001 0.000 0.240 280 A C 1.246 178.818 177.584 -0.020 0.000 1.053 280 A CA 0.738 52.763 52.037 -0.020 0.000 0.755 280 A CB -0.927 18.057 19.000 -0.027 0.000 0.978 280 A HN 1.012 nan 8.150 nan 0.000 0.507 281 G N 1.913 110.702 108.800 -0.018 0.000 2.189 281 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.267 281 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.267 281 G C 0.543 175.440 174.900 -0.005 0.000 0.975 281 G CA 1.127 46.214 45.100 -0.022 0.000 0.644 281 G HN 1.842 nan 8.290 nan 0.000 0.537 282 D N -0.293 120.116 120.400 0.015 0.000 3.424 282 D HA -0.091 4.548 4.640 -0.001 0.000 0.162 282 D C 1.259 177.592 176.300 0.056 0.000 1.055 282 D CA 2.842 56.868 54.000 0.042 0.000 1.016 282 D CB -1.203 39.627 40.800 0.050 0.000 0.500 282 D HN 1.776 nan 8.370 nan 0.000 0.501 283 A N 0.406 123.260 122.820 0.057 0.000 2.553 283 A HA 0.374 4.694 4.320 -0.001 0.000 0.258 283 A C 0.429 178.010 177.584 -0.006 0.000 1.069 283 A CA 1.170 53.248 52.037 0.068 0.000 0.767 283 A CB -0.386 18.565 19.000 -0.082 0.000 0.997 283 A HN 0.347 nan 8.150 nan 0.000 0.512 284 M N 1.562 121.237 119.600 0.125 0.000 2.779 284 M HA 0.422 4.901 4.480 -0.001 0.000 0.277 284 M C -0.251 176.179 176.300 0.217 0.000 1.284 284 M CA -0.681 54.661 55.300 0.070 0.000 0.801 284 M CB 2.111 34.720 32.600 0.014 0.000 1.712 284 M HN 0.695 nan 8.290 nan 0.000 0.453 285 R N -0.279 120.283 120.500 0.103 0.000 2.474 285 R HA 0.589 4.928 4.340 -0.001 0.000 0.295 285 R C 0.088 176.406 176.300 0.029 0.000 0.980 285 R CA -0.377 55.791 56.100 0.113 0.000 0.934 285 R CB 1.551 31.857 30.300 0.011 0.000 1.101 285 R HN 0.849 nan 8.270 nan 0.000 0.469 286 G N 0.696 109.557 108.800 0.102 0.000 2.476 286 G HA2 0.556 4.515 3.960 -0.001 0.000 0.269 286 G HA3 0.556 4.515 3.960 -0.001 0.000 0.269 286 G C -0.719 174.182 174.900 0.002 0.000 1.195 286 G CA 0.198 45.376 45.100 0.130 0.000 0.843 286 G HN 0.686 nan 8.290 nan 0.000 0.545 287 A N 0.373 123.109 122.820 -0.140 0.000 2.809 287 A HA 0.888 5.207 4.320 -0.001 0.000 0.310 287 A C -1.394 176.066 177.584 -0.206 0.000 1.138 287 A CA -0.275 51.629 52.037 -0.223 0.000 0.610 287 A CB 0.569 19.352 19.000 -0.362 0.000 1.432 287 A HN 1.992 nan 8.150 nan 0.000 0.597 288 F N -1.185 118.584 119.950 -0.301 0.000 2.773 288 F HA 0.683 5.210 4.527 -0.002 0.000 0.314 288 F C -1.057 174.280 175.800 -0.772 0.000 1.160 288 F CA -0.690 57.050 58.000 -0.433 0.000 0.920 288 F CB 0.305 39.177 39.000 -0.214 0.000 1.323 288 F HN 0.726 nan 8.300 nan 0.000 0.457 289 D N -0.416 119.723 120.400 -0.435 0.000 2.478 289 D HA 0.196 4.835 4.640 -0.001 0.000 0.263 289 D C -0.177 176.014 176.300 -0.181 0.000 1.153 289 D CA -0.680 53.036 54.000 -0.473 0.000 1.038 289 D CB 0.698 41.331 40.800 -0.277 0.000 1.120 289 D HN 0.748 nan 8.370 nan 0.000 0.564 290 W N -0.640 120.803 121.300 0.239 0.000 3.077 290 W HA 0.143 4.802 4.660 -0.001 0.000 0.245 290 W C 1.120 177.704 176.519 0.109 0.000 1.316 290 W CA -0.174 57.294 57.345 0.204 0.000 1.537 290 W CB 0.169 29.735 29.460 0.178 0.000 1.131 290 W HN 0.392 nan 8.180 nan 0.000 0.695 291 E N 0.038 120.390 120.200 0.252 0.000 2.476 291 E HA 0.023 4.373 4.350 -0.001 0.000 0.196 291 E C 0.875 177.614 176.600 0.232 0.000 1.029 291 E CA 0.085 56.634 56.400 0.248 0.000 0.896 291 E CB 0.150 30.053 29.700 0.338 0.000 1.012 291 E HN 0.002 nan 8.360 nan 0.000 0.475 292 M N -0.436 119.200 119.600 0.060 0.000 2.732 292 M HA -0.207 4.272 4.480 -0.001 0.000 0.207 292 M C -1.199 175.119 176.300 0.030 0.000 0.513 292 M CA 0.942 56.130 55.300 -0.186 0.000 0.652 292 M CB -2.808 29.614 32.600 -0.295 0.000 2.410 292 M HN 0.104 nan 8.290 nan 0.000 0.660 293 Y N -0.236 120.113 120.300 0.083 0.000 2.313 293 Y HA 0.455 5.004 4.550 -0.002 0.000 0.332 293 Y C 0.584 176.609 175.900 0.210 0.000 1.071 293 Y CA -0.840 57.364 58.100 0.173 0.000 1.169 293 Y CB 0.517 39.035 38.460 0.098 0.000 1.192 293 Y HN 0.261 nan 8.280 nan 0.000 0.487 294 Y N 4.871 125.344 120.300 0.289 0.000 2.610 294 Y HA 0.208 4.757 4.550 -0.002 0.000 0.332 294 Y C -0.624 175.355 175.900 0.133 0.000 1.201 294 Y CA 0.081 58.326 58.100 0.241 0.000 1.465 294 Y CB 0.264 38.782 38.460 0.097 0.000 1.283 294 Y HN 0.434 nan 8.280 nan 0.000 0.563 295 K N 5.799 125.694 120.400 -0.842 0.000 2.444 295 K HA 0.519 4.838 4.320 -0.001 0.000 0.252 295 K C -1.235 174.858 176.600 -0.845 0.000 0.993 295 K CA -1.053 54.805 56.287 -0.715 0.000 0.847 295 K CB 2.252 34.434 32.500 -0.530 0.000 1.340 295 K HN 0.753 nan 8.250 nan 0.000 0.446 296 R N 1.247 121.471 120.500 -0.460 0.000 2.534 296 R HA 0.615 4.954 4.340 -0.001 0.000 0.301 296 R C -0.109 176.026 176.300 -0.275 0.000 0.961 296 R CA -0.671 55.253 56.100 -0.292 0.000 0.871 296 R CB 1.417 31.640 30.300 -0.128 0.000 1.170 296 R HN 0.641 nan 8.270 nan 0.000 0.446 297 I N -0.971 119.427 120.570 -0.287 0.000 2.828 297 I HA 0.639 4.808 4.170 -0.001 0.000 0.302 297 I C -2.589 173.376 176.117 -0.254 0.000 1.101 297 I CA -3.167 57.873 61.300 -0.434 0.000 1.031 297 I CB 2.563 40.150 38.000 -0.688 0.000 1.231 297 I HN 0.375 nan 8.210 nan 0.000 0.427 298 P HA 0.153 nan 4.420 nan 0.000 0.266 298 P C -0.339 176.917 177.300 -0.073 0.000 1.195 298 P CA 0.243 63.285 63.100 -0.096 0.000 0.768 298 P CB 0.923 32.604 31.700 -0.030 0.000 0.838 299 I N 5.009 125.528 120.570 -0.085 0.000 2.494 299 I HA 0.059 4.228 4.170 -0.001 0.000 0.289 299 I C -1.729 174.363 176.117 -0.042 0.000 1.106 299 I CA -1.890 59.358 61.300 -0.087 0.000 1.369 299 I CB -0.100 37.804 38.000 -0.160 0.000 1.410 299 I HN 0.175 nan 8.210 nan 0.000 0.523 300 P HA -0.008 nan 4.420 nan 0.000 0.265 300 P C -2.033 175.305 177.300 0.064 0.000 1.187 300 P CA -0.785 62.347 63.100 0.054 0.000 0.766 300 P CB 0.056 31.832 31.700 0.125 0.000 0.820 301 P HA -0.228 nan 4.420 nan 0.000 0.216 301 P C 1.328 178.661 177.300 0.055 0.000 1.153 301 P CA 1.551 64.677 63.100 0.042 0.000 0.858 301 P CB -0.282 31.440 31.700 0.037 0.000 0.789 302 E N -0.287 119.968 120.200 0.092 0.000 2.338 302 E HA -0.121 4.228 4.350 -0.001 0.000 0.197 302 E C 1.495 178.157 176.600 0.103 0.000 1.007 302 E CA 0.881 57.332 56.400 0.086 0.000 0.849 302 E CB -0.800 28.949 29.700 0.082 0.000 0.774 302 E HN 0.267 nan 8.360 nan 0.000 0.506 303 L N 0.453 121.750 121.223 0.123 0.000 2.556 303 L HA 0.123 4.462 4.340 -0.001 0.000 0.226 303 L C 0.829 177.734 176.870 0.059 0.000 1.089 303 L CA -0.178 54.729 54.840 0.112 0.000 0.864 303 L CB 0.020 42.157 42.059 0.130 0.000 1.067 303 L HN 0.061 nan 8.230 nan 0.000 0.477 304 Q N 2.290 122.103 119.800 0.021 0.000 2.247 304 Q HA 0.013 4.352 4.340 -0.001 0.000 0.288 304 Q C -0.281 175.714 176.000 -0.008 0.000 1.079 304 Q CA 0.357 56.145 55.803 -0.025 0.000 0.932 304 Q CB 0.505 29.221 28.738 -0.036 0.000 1.133 304 Q HN 0.032 nan 8.270 nan 0.000 0.377 305 K N 1.634 122.024 120.400 -0.018 0.000 2.326 305 K HA 0.101 4.420 4.320 -0.001 0.000 0.275 305 K C 0.815 177.410 176.600 -0.009 0.000 1.018 305 K CA 0.179 56.471 56.287 0.008 0.000 0.962 305 K CB 1.059 33.579 32.500 0.034 0.000 0.953 305 K HN 0.715 nan 8.250 nan 0.000 0.475 306 A N 2.528 125.352 122.820 0.007 0.000 1.870 306 A HA -0.218 4.101 4.320 -0.001 0.000 0.219 306 A C 0.819 178.400 177.584 -0.005 0.000 1.224 306 A CA 1.925 53.965 52.037 0.006 0.000 0.650 306 A CB -0.386 18.624 19.000 0.016 0.000 0.836 306 A HN 0.768 nan 8.150 nan 0.000 0.454 307 D N -0.477 119.920 120.400 -0.006 0.000 2.380 307 D HA 0.263 4.902 4.640 -0.001 0.000 0.230 307 D C -1.755 174.494 176.300 -0.085 0.000 1.154 307 D CA -2.364 51.621 54.000 -0.025 0.000 0.859 307 D CB 1.020 41.822 40.800 0.003 0.000 1.045 307 D HN 0.133 nan 8.370 nan 0.000 0.495 308 P HA -0.106 nan 4.420 nan 0.000 0.234 308 P C 0.538 177.626 177.300 -0.353 0.000 1.162 308 P CA 0.524 63.457 63.100 -0.278 0.000 0.759 308 P CB 0.065 31.579 31.700 -0.309 0.000 0.813 309 S N -2.862 112.670 115.700 -0.281 0.000 2.554 309 S HA 0.159 4.628 4.470 -0.001 0.000 0.226 309 S C 0.313 174.947 174.600 0.056 0.000 0.980 309 S CA -0.569 57.565 58.200 -0.111 0.000 0.939 309 S CB -0.244 62.936 63.200 -0.032 0.000 0.832 309 S HN -0.140 nan 8.310 nan 0.000 0.486 310 D N 3.041 123.478 120.400 0.062 0.000 2.181 310 D HA 0.485 5.124 4.640 -0.001 0.000 0.248 310 D C -2.707 173.721 176.300 0.213 0.000 1.020 310 D CA -1.724 52.350 54.000 0.122 0.000 0.891 310 D CB 1.330 42.183 40.800 0.089 0.000 1.187 310 D HN 0.070 nan 8.370 nan 0.000 0.443 311 P HA 0.017 nan 4.420 nan 0.000 0.264 311 P C -0.779 176.675 177.300 0.256 0.000 1.173 311 P CA 0.496 63.692 63.100 0.161 0.000 0.761 311 P CB 0.110 31.859 31.700 0.082 0.000 0.794 312 F N -1.039 118.951 119.950 0.066 0.000 2.574 312 F HA 0.511 5.036 4.527 -0.002 0.000 0.313 312 F C -0.295 175.566 175.800 0.102 0.000 1.130 312 F CA -1.504 56.539 58.000 0.071 0.000 0.936 312 F CB 1.110 40.138 39.000 0.046 0.000 1.219 312 F HN 0.126 nan 8.300 nan 0.000 0.445 313 E N 1.581 121.892 120.200 0.185 0.000 2.442 313 E HA 0.332 4.681 4.350 -0.001 0.000 0.262 313 E C -0.555 176.134 176.600 0.150 0.000 1.004 313 E CA 0.195 56.717 56.400 0.203 0.000 0.928 313 E CB 0.854 30.723 29.700 0.282 0.000 0.937 313 E HN 0.621 nan 8.360 nan 0.000 0.446 314 S N 2.634 118.451 115.700 0.196 0.000 2.571 314 S HA 0.366 4.835 4.470 -0.001 0.000 0.284 314 S C -2.228 172.530 174.600 0.263 0.000 1.128 314 S CA -1.768 56.517 58.200 0.142 0.000 0.970 314 S CB 1.264 64.498 63.200 0.056 0.000 1.039 314 S HN 0.163 nan 8.310 nan 0.000 0.485 315 P HA 0.037 nan 4.420 nan 0.000 0.214 315 P C -0.445 177.123 177.300 0.447 0.000 1.162 315 P CA 0.713 63.855 63.100 0.070 0.000 0.879 315 P CB 0.193 31.814 31.700 -0.131 0.000 0.786 316 V N 0.081 120.204 119.914 0.348 0.000 2.735 316 V HA 0.332 4.451 4.120 -0.001 0.000 0.310 316 V C 0.213 176.430 176.094 0.205 0.000 1.061 316 V CA -0.896 61.603 62.300 0.331 0.000 0.913 316 V CB 1.576 33.693 31.823 0.489 0.000 1.005 316 V HN 0.003 nan 8.190 nan 0.000 0.428 317 M N 3.450 123.054 119.600 0.008 0.000 2.368 317 M HA 0.738 5.218 4.480 -0.001 0.000 0.311 317 M C 1.066 177.193 176.300 -0.288 0.000 1.168 317 M CA 0.192 55.430 55.300 -0.103 0.000 1.044 317 M CB 1.394 33.864 32.600 -0.216 0.000 1.506 317 M HN 0.581 nan 8.290 nan 0.000 0.475 318 A N 1.121 123.726 122.820 -0.358 0.000 1.873 318 A HA 0.353 4.672 4.320 -0.001 0.000 0.215 318 A C 1.679 178.935 177.584 -0.547 0.000 1.186 318 A CA 1.936 53.568 52.037 -0.676 0.000 0.616 318 A CB -1.029 17.737 19.000 -0.390 0.000 0.823 318 A HN 1.399 nan 8.150 nan 0.000 0.442 319 G N -3.605 105.010 108.800 -0.309 0.000 3.898 319 G HA2 0.065 4.024 3.960 -0.001 0.000 0.196 319 G HA3 0.065 4.024 3.960 -0.001 0.000 0.196 319 G C 1.178 176.045 174.900 -0.054 0.000 1.322 319 G CA 0.399 45.345 45.100 -0.256 0.000 0.942 319 G HN 1.219 nan 8.290 nan 0.000 0.400 320 G N -0.072 108.662 108.800 -0.110 0.000 2.939 320 G HA2 0.460 4.419 3.960 -0.001 0.000 0.216 320 G HA3 0.460 4.419 3.960 -0.001 0.000 0.216 320 G C 0.403 175.249 174.900 -0.090 0.000 1.125 320 G CA 0.190 45.225 45.100 -0.108 0.000 0.766 320 G HN 0.397 nan 8.290 nan 0.000 0.541 321 L N 1.841 123.051 121.223 -0.021 0.000 2.283 321 L HA 0.607 4.947 4.340 -0.001 0.000 0.281 321 L C -0.900 176.061 176.870 0.152 0.000 1.033 321 L CA -0.498 54.340 54.840 -0.004 0.000 0.848 321 L CB -0.306 41.741 42.059 -0.021 0.000 1.226 321 L HN 0.302 nan 8.230 nan 0.000 0.429 322 F N 1.168 121.141 119.950 0.037 0.000 2.746 322 F HA 0.783 5.308 4.527 -0.002 0.000 0.311 322 F C -1.240 174.578 175.800 0.031 0.000 1.135 322 F CA -1.204 56.808 58.000 0.019 0.000 0.954 322 F CB 0.921 39.908 39.000 -0.022 0.000 1.276 322 F HN 0.331 nan 8.300 nan 0.000 0.440 323 A N 1.666 124.619 122.820 0.221 0.000 2.354 323 A HA 0.978 5.297 4.320 -0.001 0.000 0.321 323 A C -1.420 176.270 177.584 0.176 0.000 1.125 323 A CA -0.673 51.395 52.037 0.051 0.000 0.799 323 A CB 1.868 20.836 19.000 -0.053 0.000 1.293 323 A HN 2.155 nan 8.150 nan 0.000 0.452 324 V N 0.785 120.733 119.914 0.056 0.000 3.036 324 V HA 0.268 4.387 4.120 -0.001 0.000 0.288 324 V C -1.389 174.736 176.094 0.052 0.000 1.407 324 V CA -0.796 61.571 62.300 0.112 0.000 0.983 324 V CB 1.910 33.858 31.823 0.208 0.000 1.128 324 V HN 1.107 nan 8.190 nan 0.000 0.439 325 D N 4.546 125.024 120.400 0.130 0.000 2.493 325 D HA 0.046 4.685 4.640 -0.001 0.000 0.240 325 D C 1.074 177.465 176.300 0.152 0.000 1.142 325 D CA 0.353 54.424 54.000 0.119 0.000 0.872 325 D CB 1.189 42.082 40.800 0.155 0.000 1.173 325 D HN 0.685 nan 8.370 nan 0.000 0.467 326 R N 3.581 124.140 120.500 0.098 0.000 2.083 326 R HA -0.167 4.173 4.340 -0.001 0.000 0.237 326 R C 2.009 178.478 176.300 0.281 0.000 1.137 326 R CA 1.423 57.612 56.100 0.148 0.000 0.951 326 R CB 0.174 30.557 30.300 0.140 0.000 0.851 326 R HN 0.464 nan 8.270 nan 0.000 0.434 327 K N -0.374 120.182 120.400 0.260 0.000 1.985 327 K HA -0.233 4.086 4.320 -0.001 0.000 0.210 327 K C 1.928 178.720 176.600 0.320 0.000 1.047 327 K CA 1.698 58.158 56.287 0.287 0.000 0.932 327 K CB -0.527 32.103 32.500 0.217 0.000 0.716 327 K HN 0.435 nan 8.250 nan 0.000 0.439 328 W N 1.123 122.476 121.300 0.088 0.000 2.325 328 W HA -0.307 4.352 4.660 -0.001 0.000 0.299 328 W C 1.757 178.301 176.519 0.042 0.000 1.215 328 W CA 0.953 58.327 57.345 0.048 0.000 1.244 328 W CB -0.210 29.262 29.460 0.019 0.000 1.140 328 W HN 0.043 nan 8.180 nan 0.000 0.523 329 F N 0.041 119.890 119.950 -0.168 0.000 2.051 329 F HA -0.175 4.351 4.527 -0.001 0.000 0.296 329 F C 1.987 177.508 175.800 -0.466 0.000 1.122 329 F CA 2.315 60.043 58.000 -0.453 0.000 1.201 329 F CB -1.409 37.310 39.000 -0.468 0.000 0.978 329 F HN -0.186 nan 8.300 nan 0.000 0.472 330 W N 0.966 122.177 121.300 -0.149 0.000 2.374 330 W HA -0.108 4.551 4.660 -0.001 0.000 0.288 330 W C 2.380 178.757 176.519 -0.237 0.000 1.218 330 W CA 1.154 58.360 57.345 -0.231 0.000 1.245 330 W CB -0.541 28.902 29.460 -0.029 0.000 1.126 330 W HN 0.083 nan 8.180 nan 0.000 0.545 331 E N 0.338 120.553 120.200 0.024 0.000 2.219 331 E HA -0.223 4.126 4.350 -0.001 0.000 0.198 331 E C 1.815 178.293 176.600 -0.203 0.000 0.998 331 E CA 1.149 57.540 56.400 -0.016 0.000 0.818 331 E CB -0.464 29.301 29.700 0.109 0.000 0.741 331 E HN 0.392 nan 8.360 nan 0.000 0.477 332 L N -0.969 119.968 121.223 -0.476 0.000 2.558 332 L HA 0.146 4.485 4.340 -0.001 0.000 0.225 332 L C 1.446 178.107 176.870 -0.349 0.000 1.128 332 L CA 0.396 54.928 54.840 -0.514 0.000 0.868 332 L CB 0.149 41.718 42.059 -0.817 0.000 1.006 332 L HN 0.280 nan 8.230 nan 0.000 0.454 333 G N -0.405 108.213 108.800 -0.302 0.000 2.141 333 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.231 333 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.231 333 G C 0.805 175.508 174.900 -0.329 0.000 0.984 333 G CA 0.059 45.069 45.100 -0.149 0.000 0.660 333 G HN 0.692 nan 8.290 nan 0.000 0.525 334 G N -0.627 107.592 108.800 -0.967 0.000 2.596 334 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.295 334 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.295 334 G C 0.291 174.748 174.900 -0.739 0.000 1.240 334 G CA 0.569 44.745 45.100 -1.539 0.000 0.985 334 G HN 1.312 nan 8.290 nan 0.000 0.555 335 Y N 0.703 120.843 120.300 -0.266 0.000 2.403 335 Y HA 0.465 5.014 4.550 -0.002 0.000 0.323 335 Y C 0.664 176.530 175.900 -0.058 0.000 1.226 335 Y CA -0.068 57.949 58.100 -0.139 0.000 1.235 335 Y CB 1.152 39.556 38.460 -0.094 0.000 1.248 335 Y HN 0.527 nan 8.280 nan 0.000 0.489 336 D N 4.236 124.733 120.400 0.162 0.000 2.346 336 D HA 0.006 4.645 4.640 -0.001 0.000 0.267 336 D C -1.558 174.791 176.300 0.081 0.000 1.320 336 D CA -2.005 52.062 54.000 0.112 0.000 0.951 336 D CB 0.835 41.702 40.800 0.112 0.000 1.079 336 D HN 0.236 nan 8.370 nan 0.000 0.509 337 P HA -0.102 nan 4.420 nan 0.000 0.226 337 P C 1.148 178.465 177.300 0.027 0.000 1.146 337 P CA 0.684 63.821 63.100 0.063 0.000 0.773 337 P CB 0.155 31.897 31.700 0.070 0.000 0.772 338 G N -0.341 108.475 108.800 0.026 0.000 2.813 338 G HA2 0.049 4.008 3.960 -0.001 0.000 0.209 338 G HA3 0.049 4.008 3.960 -0.001 0.000 0.209 338 G C 0.701 175.598 174.900 -0.005 0.000 1.150 338 G CA -0.199 44.906 45.100 0.009 0.000 0.785 338 G HN 0.232 nan 8.290 nan 0.000 0.535 339 L N 0.930 122.143 121.223 -0.016 0.000 2.416 339 L HA 0.252 4.591 4.340 -0.001 0.000 0.272 339 L C 1.061 177.899 176.870 -0.054 0.000 1.161 339 L CA -0.774 54.038 54.840 -0.047 0.000 0.845 339 L CB 0.804 42.803 42.059 -0.101 0.000 1.119 339 L HN 0.007 nan 8.230 nan 0.000 0.464 340 E N 2.118 122.294 120.200 -0.039 0.000 3.607 340 E HA 0.058 4.407 4.350 -0.001 0.000 0.550 340 E C 1.486 178.070 176.600 -0.027 0.000 0.246 340 E CA 0.518 56.903 56.400 -0.025 0.000 3.269 340 E CB 0.004 29.705 29.700 0.002 0.000 2.315 340 E HN 0.491 nan 8.360 nan 0.000 0.350 341 I N -1.569 119.017 120.570 0.027 0.000 2.400 341 I HA -0.009 4.160 4.170 -0.001 0.000 0.248 341 I C 0.628 176.831 176.117 0.143 0.000 1.109 341 I CA 0.662 61.993 61.300 0.052 0.000 1.425 341 I CB 0.199 38.257 38.000 0.096 0.000 1.094 341 I HN 0.241 nan 8.210 nan 0.000 0.425 342 W N -0.453 120.822 121.300 -0.043 0.000 3.137 342 W HA 0.544 5.203 4.660 -0.002 0.000 0.324 342 W C -0.312 176.167 176.519 -0.067 0.000 1.253 342 W CA -0.554 56.766 57.345 -0.041 0.000 1.183 342 W CB 1.029 30.523 29.460 0.057 0.000 1.424 342 W HN 0.195 nan 8.180 nan 0.000 0.566 343 G N 1.719 109.825 108.800 -1.158 0.000 2.892 343 G HA2 0.389 4.348 3.960 -0.001 0.000 0.686 343 G HA3 0.389 4.348 3.960 -0.001 0.000 0.686 343 G C 0.562 175.169 174.900 -0.487 0.000 1.244 343 G CA 0.830 45.287 45.100 -1.071 0.000 0.947 343 G HN 2.348 nan 8.290 nan 0.000 0.584 344 G N 1.212 109.743 108.800 -0.447 0.000 2.493 344 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.206 344 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.206 344 G C 1.143 175.869 174.900 -0.290 0.000 1.109 344 G CA 0.882 45.849 45.100 -0.221 0.000 0.689 344 G HN 2.074 nan 8.290 nan 0.000 0.516 345 E N 1.974 121.919 120.200 -0.425 0.000 2.267 345 E HA -0.102 4.247 4.350 -0.001 0.000 0.197 345 E C 2.191 178.597 176.600 -0.324 0.000 0.998 345 E CA 1.867 58.014 56.400 -0.422 0.000 0.830 345 E CB -0.535 28.551 29.700 -1.022 0.000 0.751 345 E HN 0.766 nan 8.360 nan 0.000 0.491 346 Q N 0.455 119.946 119.800 -0.516 0.000 2.187 346 Q HA -0.152 4.187 4.340 -0.001 0.000 0.199 346 Q C 1.591 177.211 176.000 -0.633 0.000 0.957 346 Q CA 1.244 56.706 55.803 -0.570 0.000 0.857 346 Q CB -0.628 27.680 28.738 -0.716 0.000 0.929 346 Q HN 0.559 nan 8.270 nan 0.000 0.453 347 Y N 1.698 121.691 120.300 -0.512 0.000 2.206 347 Y HA -0.055 4.494 4.550 -0.001 0.000 0.292 347 Y C 2.664 177.898 175.900 -1.111 0.000 1.123 347 Y CA 1.115 58.667 58.100 -0.913 0.000 1.142 347 Y CB 0.014 38.051 38.460 -0.705 0.000 1.006 347 Y HN 0.247 nan 8.280 nan 0.000 0.518 348 E N 0.808 120.750 120.200 -0.431 0.000 2.058 348 E HA -0.266 4.083 4.350 -0.001 0.000 0.194 348 E C 2.065 178.328 176.600 -0.561 0.000 0.997 348 E CA 1.648 57.785 56.400 -0.440 0.000 0.801 348 E CB -0.268 29.333 29.700 -0.165 0.000 0.746 348 E HN 0.407 nan 8.360 nan 0.000 0.450 349 I N 0.919 121.251 120.570 -0.396 0.000 2.286 349 I HA -0.213 3.956 4.170 -0.001 0.000 0.248 349 I C 2.195 178.056 176.117 -0.426 0.000 1.115 349 I CA 1.286 62.333 61.300 -0.422 0.000 1.392 349 I CB -0.257 37.519 38.000 -0.373 0.000 1.065 349 I HN 0.023 nan 8.210 nan 0.000 0.418 350 S N 0.467 115.905 115.700 -0.438 0.000 2.356 350 S HA -0.140 4.329 4.470 -0.001 0.000 0.223 350 S C 1.788 176.385 174.600 -0.005 0.000 1.032 350 S CA 1.601 59.661 58.200 -0.234 0.000 1.005 350 S CB -0.539 62.523 63.200 -0.231 0.000 0.867 350 S HN 0.443 nan 8.310 nan 0.000 0.449 351 F N 1.876 121.746 119.950 -0.133 0.000 2.234 351 F HA 0.056 4.582 4.527 -0.001 0.000 0.299 351 F C 2.128 177.826 175.800 -0.170 0.000 1.087 351 F CA 0.298 58.195 58.000 -0.172 0.000 1.340 351 F CB -0.811 38.030 39.000 -0.264 0.000 1.031 351 F HN 0.113 nan 8.300 nan 0.000 0.500 352 K N 0.570 120.755 120.400 -0.358 0.000 2.002 352 K HA -0.132 4.187 4.320 -0.001 0.000 0.209 352 K C 2.107 178.663 176.600 -0.074 0.000 1.048 352 K CA 1.927 57.963 56.287 -0.418 0.000 0.930 352 K CB -0.590 31.547 32.500 -0.606 0.000 0.714 352 K HN 0.201 nan 8.250 nan 0.000 0.438 353 V N -0.835 119.023 119.914 -0.092 0.000 2.282 353 V HA -0.256 3.863 4.120 -0.001 0.000 0.249 353 V C 1.930 178.103 176.094 0.133 0.000 1.057 353 V CA 1.753 64.052 62.300 -0.002 0.000 1.032 353 V CB -1.185 30.506 31.823 -0.219 0.000 0.645 353 V HN 0.381 nan 8.190 nan 0.000 0.447 354 W N -0.255 121.231 121.300 0.310 0.000 2.381 354 W HA 0.025 4.684 4.660 -0.002 0.000 0.321 354 W C 2.796 179.638 176.519 0.539 0.000 1.196 354 W CA 1.106 58.738 57.345 0.479 0.000 1.304 354 W CB -0.443 29.383 29.460 0.610 0.000 1.166 354 W HN 0.072 nan 8.180 nan 0.000 0.473 355 M N -0.644 119.427 119.600 0.786 0.000 2.435 355 M HA -0.175 4.304 4.480 -0.001 0.000 0.262 355 M C 0.652 177.124 176.300 0.287 0.000 1.065 355 M CA 1.003 56.621 55.300 0.530 0.000 1.076 355 M CB -0.507 32.429 32.600 0.560 0.000 1.403 355 M HN 0.039 nan 8.290 nan 0.000 0.454 356 c N 0.130 118.912 118.600 0.303 0.000 2.638 356 c HA 0.572 5.141 4.570 -0.001 0.000 0.282 356 c C 1.546 175.822 174.090 0.310 0.000 1.473 356 c CA -0.221 56.265 56.329 0.262 0.000 1.781 356 c CB -0.953 41.705 42.510 0.246 0.000 2.780 356 c HN 0.840 nan 8.230 nan 0.000 0.531 357 G N 0.763 109.707 108.800 0.240 0.000 2.234 357 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.235 357 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.235 357 G C 0.461 175.414 174.900 0.088 0.000 0.997 357 G CA 0.091 45.287 45.100 0.160 0.000 0.623 357 G HN 0.809 nan 8.290 nan 0.000 0.514 358 G N -0.607 108.321 108.800 0.213 0.000 2.509 358 G HA2 0.723 4.682 3.960 -0.001 0.000 0.269 358 G HA3 0.723 4.682 3.960 -0.001 0.000 0.269 358 G C -0.067 174.690 174.900 -0.239 0.000 1.416 358 G CA -0.360 44.746 45.100 0.011 0.000 1.052 358 G HN 0.579 nan 8.290 nan 0.000 0.542 359 R N -1.864 118.346 120.500 -0.482 0.000 2.710 359 R HA 0.486 4.825 4.340 -0.001 0.000 0.270 359 R C -1.400 174.379 176.300 -0.869 0.000 1.021 359 R CA -0.789 54.669 56.100 -1.069 0.000 0.889 359 R CB 2.253 32.247 30.300 -0.511 0.000 1.243 359 R HN 0.487 nan 8.270 nan 0.000 0.464 360 M N 1.408 120.414 119.600 -0.991 0.000 2.190 360 M HA 0.398 4.877 4.480 -0.001 0.000 0.312 360 M C -1.551 174.730 176.300 -0.032 0.000 0.990 360 M CA 0.149 55.259 55.300 -0.315 0.000 0.927 360 M CB 1.767 34.309 32.600 -0.097 0.000 1.571 360 M HN 0.495 nan 8.290 nan 0.000 0.427 361 E N 2.189 122.333 120.200 -0.093 0.000 2.317 361 E HA 0.392 4.741 4.350 -0.001 0.000 0.270 361 E C -1.701 174.758 176.600 -0.234 0.000 0.885 361 E CA -0.862 55.455 56.400 -0.138 0.000 0.760 361 E CB 1.898 31.541 29.700 -0.095 0.000 1.227 361 E HN 0.567 nan 8.360 nan 0.000 0.434 362 D N 1.428 121.517 120.400 -0.517 0.000 2.232 362 D HA 0.317 4.956 4.640 -0.001 0.000 0.242 362 D C -0.982 175.133 176.300 -0.309 0.000 1.093 362 D CA -0.376 53.321 54.000 -0.505 0.000 0.845 362 D CB 0.894 41.160 40.800 -0.890 0.000 1.124 362 D HN 0.135 nan 8.370 nan 0.000 0.467 363 I N 5.107 125.636 120.570 -0.068 0.000 2.307 363 I HA 0.232 4.401 4.170 -0.001 0.000 0.287 363 I C -1.664 174.534 176.117 0.136 0.000 1.054 363 I CA -2.110 59.215 61.300 0.043 0.000 1.218 363 I CB 1.426 39.438 38.000 0.020 0.000 1.398 363 I HN 0.267 nan 8.210 nan 0.000 0.475 364 P HA -0.124 nan 4.420 nan 0.000 0.219 364 P C 1.155 178.578 177.300 0.206 0.000 1.146 364 P CA 1.305 64.554 63.100 0.249 0.000 0.808 364 P CB 0.177 32.027 31.700 0.251 0.000 0.779 365 c N -1.703 117.012 118.600 0.192 0.000 2.539 365 c HA 0.191 4.761 4.570 -0.001 0.000 0.271 365 c C 1.314 175.510 174.090 0.175 0.000 1.412 365 c CA 0.371 56.823 56.329 0.205 0.000 1.729 365 c CB -1.703 40.956 42.510 0.247 0.000 1.739 365 c HN 0.154 nan 8.230 nan 0.000 0.570 366 S N 0.850 116.645 115.700 0.158 0.000 2.596 366 S HA 0.591 5.060 4.470 -0.001 0.000 0.318 366 S C -0.638 174.085 174.600 0.206 0.000 1.097 366 S CA -0.448 57.859 58.200 0.177 0.000 1.080 366 S CB 0.114 63.386 63.200 0.120 0.000 0.991 366 S HN 0.527 nan 8.310 nan 0.000 0.471 367 R N 2.733 123.371 120.500 0.230 0.000 2.621 367 R HA 0.738 5.077 4.340 -0.001 0.000 0.292 367 R C -1.488 174.896 176.300 0.140 0.000 0.969 367 R CA -0.862 55.354 56.100 0.194 0.000 0.887 367 R CB 2.113 32.549 30.300 0.228 0.000 1.180 367 R HN 0.378 nan 8.270 nan 0.000 0.450 368 V N 1.231 121.190 119.914 0.075 0.000 2.638 368 V HA 0.499 4.618 4.120 -0.001 0.000 0.306 368 V C 0.293 176.386 176.094 -0.000 0.000 1.052 368 V CA -0.932 61.346 62.300 -0.037 0.000 0.885 368 V CB 2.151 33.876 31.823 -0.163 0.000 0.999 368 V HN 0.962 nan 8.190 nan 0.000 0.424 369 G N 1.868 110.686 108.800 0.029 0.000 2.444 369 G HA2 0.531 4.490 3.960 -0.001 0.000 0.268 369 G HA3 0.531 4.490 3.960 -0.001 0.000 0.268 369 G C -0.797 174.077 174.900 -0.044 0.000 1.203 369 G CA -0.049 45.005 45.100 -0.077 0.000 0.835 369 G HN 0.828 nan 8.290 nan 0.000 0.543 370 H N 1.356 120.318 119.070 -0.180 0.000 2.894 370 H HA 0.284 4.839 4.556 -0.002 0.000 0.367 370 H C -1.083 174.078 175.328 -0.279 0.000 1.144 370 H CA -0.705 55.214 56.048 -0.216 0.000 1.180 370 H CB 1.927 31.512 29.762 -0.295 0.000 1.758 370 H HN 0.323 nan 8.280 nan 0.000 0.541 371 I N 5.545 125.479 120.570 -1.060 0.000 2.291 371 I HA 0.071 4.240 4.170 -0.001 0.000 0.290 371 I C -0.523 175.072 176.117 -0.870 0.000 1.050 371 I CA -0.545 60.226 61.300 -0.881 0.000 1.245 371 I CB 0.010 37.344 38.000 -1.111 0.000 1.405 371 I HN 0.357 nan 8.210 nan 0.000 0.478 372 Y N 6.016 126.152 120.300 -0.273 0.000 2.480 372 Y HA 0.248 4.797 4.550 -0.002 0.000 0.341 372 Y C 0.961 176.874 175.900 0.022 0.000 1.031 372 Y CA -0.325 57.785 58.100 0.016 0.000 1.295 372 Y CB 0.262 38.808 38.460 0.145 0.000 1.162 372 Y HN 0.447 nan 8.280 nan 0.000 0.523 373 R N 2.114 122.674 120.500 0.100 0.000 2.734 373 R HA -0.022 4.317 4.340 -0.001 0.000 0.266 373 R C 1.325 177.582 176.300 -0.071 0.000 1.044 373 R CA -0.208 55.913 56.100 0.034 0.000 1.128 373 R CB 0.576 30.864 30.300 -0.021 0.000 1.010 373 R HN 0.659 nan 8.270 nan 0.000 0.461 374 K N 1.454 121.679 120.400 -0.292 0.000 2.186 374 K HA -0.069 4.250 4.320 -0.001 0.000 0.202 374 K C -0.395 176.178 176.600 -0.045 0.000 1.052 374 K CA 1.020 57.062 56.287 -0.408 0.000 0.965 374 K CB 0.309 32.444 32.500 -0.608 0.000 0.746 374 K HN 0.579 nan 8.250 nan 0.000 0.457 375 Y N -3.799 116.413 120.300 -0.147 0.000 2.689 375 Y HA 0.407 4.956 4.550 -0.001 0.000 0.333 375 Y C -1.288 174.514 175.900 -0.163 0.000 1.208 375 Y CA -1.775 56.240 58.100 -0.142 0.000 1.055 375 Y CB 1.040 39.417 38.460 -0.137 0.000 1.304 375 Y HN -0.290 nan 8.280 nan 0.000 0.455 376 V N 3.816 123.731 119.914 0.002 0.000 2.383 376 V HA 0.475 4.594 4.120 -0.001 0.000 0.275 376 V C -1.893 174.095 176.094 -0.177 0.000 1.036 376 V CA -1.684 60.457 62.300 -0.264 0.000 0.889 376 V CB 1.241 32.741 31.823 -0.537 0.000 0.985 376 V HN 0.905 nan 8.190 nan 0.000 0.459 377 P HA 0.025 nan 4.420 nan 0.000 0.215 377 P C 0.425 177.712 177.300 -0.021 0.000 1.157 377 P CA 0.624 63.697 63.100 -0.045 0.000 0.869 377 P CB -0.077 31.587 31.700 -0.059 0.000 0.781 378 Y N 2.107 122.468 120.300 0.103 0.000 2.607 378 Y HA 0.167 4.716 4.550 -0.002 0.000 0.348 378 Y C 0.918 176.888 175.900 0.117 0.000 1.261 378 Y CA -1.466 56.734 58.100 0.167 0.000 1.480 378 Y CB -0.428 38.231 38.460 0.333 0.000 1.358 378 Y HN -0.055 nan 8.280 nan 0.000 0.630 379 K N 2.150 122.739 120.400 0.314 0.000 2.087 379 K HA 0.628 4.947 4.320 -0.001 0.000 0.255 379 K C -0.935 175.795 176.600 0.217 0.000 0.988 379 K CA -0.723 55.672 56.287 0.179 0.000 0.915 379 K CB 1.899 34.485 32.500 0.143 0.000 1.043 379 K HN 0.818 nan 8.250 nan 0.000 0.457 380 V N -1.433 118.556 119.914 0.125 0.000 2.495 380 V HA 0.420 4.539 4.120 -0.001 0.000 0.298 380 V C -2.512 173.622 176.094 0.066 0.000 1.031 380 V CA -2.265 60.099 62.300 0.108 0.000 0.871 380 V CB 0.689 32.565 31.823 0.088 0.000 0.988 380 V HN 0.680 nan 8.190 nan 0.000 0.432 381 P HA 0.272 nan 4.420 nan 0.000 0.267 381 P C 0.008 177.323 177.300 0.025 0.000 1.195 381 P CA 0.424 63.543 63.100 0.032 0.000 0.773 381 P CB 0.329 32.035 31.700 0.011 0.000 0.837 382 A N 1.862 124.693 122.820 0.020 0.000 2.388 382 A HA 0.501 4.820 4.320 -0.001 0.000 0.257 382 A C 1.211 178.799 177.584 0.007 0.000 1.095 382 A CA 0.385 52.430 52.037 0.014 0.000 0.791 382 A CB -0.648 18.360 19.000 0.013 0.000 1.029 382 A HN 0.920 nan 8.150 nan 0.000 0.489 383 G N 0.388 109.191 108.800 0.005 0.000 2.140 383 G HA2 -0.015 3.944 3.960 -0.001 0.000 0.211 383 G HA3 -0.015 3.944 3.960 -0.001 0.000 0.211 383 G C -0.183 174.715 174.900 -0.002 0.000 1.013 383 G CA 0.041 45.140 45.100 -0.002 0.000 0.705 383 G HN 1.444 nan 8.290 nan 0.000 0.508 384 V N 0.680 120.597 119.914 0.006 0.000 2.656 384 V HA 0.889 5.008 4.120 -0.001 0.000 0.307 384 V C 0.173 176.276 176.094 0.016 0.000 1.051 384 V CA -0.054 62.252 62.300 0.011 0.000 0.893 384 V CB 2.184 34.021 31.823 0.023 0.000 0.999 384 V HN 1.216 nan 8.190 nan 0.000 0.426 385 S N 3.349 119.057 115.700 0.012 0.000 2.546 385 S HA 0.474 4.943 4.470 -0.001 0.000 0.272 385 S C 0.032 174.649 174.600 0.029 0.000 1.140 385 S CA -0.599 57.609 58.200 0.013 0.000 0.920 385 S CB 1.851 65.036 63.200 -0.025 0.000 1.083 385 S HN 0.636 nan 8.310 nan 0.000 0.476 386 L N 2.769 124.037 121.223 0.075 0.000 2.187 386 L HA 0.085 4.424 4.340 -0.001 0.000 0.213 386 L C 2.405 179.311 176.870 0.060 0.000 1.100 386 L CA 2.503 57.416 54.840 0.120 0.000 0.765 386 L CB -1.177 41.000 42.059 0.196 0.000 0.904 386 L HN 0.978 nan 8.230 nan 0.000 0.437 387 A N -0.474 122.333 122.820 -0.022 0.000 1.865 387 A HA -0.231 4.088 4.320 -0.001 0.000 0.217 387 A C 2.482 179.947 177.584 -0.199 0.000 1.191 387 A CA 1.665 53.560 52.037 -0.235 0.000 0.623 387 A CB -0.666 18.009 19.000 -0.542 0.000 0.826 387 A HN 0.422 nan 8.150 nan 0.000 0.444 388 R N -0.104 120.317 120.500 -0.131 0.000 2.127 388 R HA -0.147 4.193 4.340 -0.001 0.000 0.238 388 R C 1.711 177.998 176.300 -0.023 0.000 1.134 388 R CA 1.733 57.785 56.100 -0.079 0.000 0.975 388 R CB -0.654 29.612 30.300 -0.056 0.000 0.865 388 R HN 0.594 nan 8.270 nan 0.000 0.447 389 N N 0.454 119.152 118.700 -0.003 0.000 2.062 389 N HA -0.137 4.602 4.740 -0.001 0.000 0.191 389 N C 1.720 177.256 175.510 0.044 0.000 1.042 389 N CA 0.886 53.944 53.050 0.012 0.000 0.845 389 N CB -0.533 37.954 38.487 0.000 0.000 1.024 389 N HN 0.014 nan 8.380 nan 0.000 0.424 390 L N 1.728 122.993 121.223 0.071 0.000 1.990 390 L HA -0.156 4.183 4.340 -0.001 0.000 0.213 390 L C 2.243 179.198 176.870 0.142 0.000 1.072 390 L CA 1.619 56.529 54.840 0.116 0.000 0.755 390 L CB -1.007 41.169 42.059 0.196 0.000 0.889 390 L HN 0.157 nan 8.230 nan 0.000 0.432 391 K N -0.061 120.434 120.400 0.159 0.000 2.074 391 K HA -0.198 4.121 4.320 -0.001 0.000 0.209 391 K C 2.275 178.952 176.600 0.128 0.000 1.048 391 K CA 1.541 57.941 56.287 0.190 0.000 0.926 391 K CB -0.172 32.393 32.500 0.109 0.000 0.713 391 K HN 0.299 nan 8.250 nan 0.000 0.444 392 R N -0.083 120.468 120.500 0.085 0.000 2.091 392 R HA -0.114 4.226 4.340 -0.001 0.000 0.238 392 R C 2.311 178.686 176.300 0.124 0.000 1.136 392 R CA 1.565 57.711 56.100 0.078 0.000 0.959 392 R CB -0.298 30.038 30.300 0.059 0.000 0.856 392 R HN 0.032 nan 8.270 nan 0.000 0.437 393 V N 0.645 120.654 119.914 0.158 0.000 2.379 393 V HA -0.178 3.941 4.120 -0.001 0.000 0.245 393 V C 2.458 178.693 176.094 0.236 0.000 1.044 393 V CA 1.782 64.242 62.300 0.266 0.000 1.036 393 V CB -0.825 31.125 31.823 0.211 0.000 0.664 393 V HN 0.370 nan 8.190 nan 0.000 0.453 394 A N -0.096 122.795 122.820 0.119 0.000 1.908 394 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 394 A C 2.237 179.835 177.584 0.024 0.000 1.181 394 A CA 1.880 53.933 52.037 0.026 0.000 0.627 394 A CB -0.438 18.585 19.000 0.038 0.000 0.818 394 A HN 0.534 nan 8.150 nan 0.000 0.445 395 E N -0.221 120.020 120.200 0.068 0.000 2.047 395 E HA -0.109 4.240 4.350 -0.001 0.000 0.191 395 E C 2.196 178.759 176.600 -0.062 0.000 0.987 395 E CA 1.550 57.966 56.400 0.028 0.000 0.799 395 E CB -0.584 29.135 29.700 0.032 0.000 0.752 395 E HN 0.440 nan 8.360 nan 0.000 0.449 396 V N -1.070 118.780 119.914 -0.107 0.000 2.667 396 V HA -0.151 3.968 4.120 -0.001 0.000 0.252 396 V C 1.366 177.070 176.094 -0.650 0.000 1.065 396 V CA 1.389 63.450 62.300 -0.397 0.000 1.083 396 V CB -0.496 31.027 31.823 -0.500 0.000 0.692 396 V HN 0.282 nan 8.190 nan 0.000 0.468 397 W N -2.424 118.863 121.300 -0.021 0.000 2.974 397 W HA 0.363 5.022 4.660 -0.001 0.000 0.250 397 W C 1.998 178.368 176.519 -0.248 0.000 1.074 397 W CA -0.266 57.059 57.345 -0.033 0.000 1.410 397 W CB -0.044 29.465 29.460 0.082 0.000 0.846 397 W HN -0.017 nan 8.180 nan 0.000 0.680 398 M N 0.785 120.194 119.600 -0.319 0.000 2.595 398 M HA -0.008 4.471 4.480 -0.001 0.000 0.248 398 M C 0.134 176.294 176.300 -0.233 0.000 1.119 398 M CA 0.819 55.586 55.300 -0.889 0.000 1.079 398 M CB -0.640 31.444 32.600 -0.860 0.000 1.472 398 M HN -0.117 nan 8.290 nan 0.000 0.501 399 D N 1.121 121.507 120.400 -0.024 0.000 3.574 399 D HA -0.283 4.356 4.640 -0.001 0.000 0.153 399 D C 0.888 177.227 176.300 0.065 0.000 0.965 399 D CA 2.318 56.367 54.000 0.082 0.000 1.047 399 D CB -0.716 40.211 40.800 0.212 0.000 0.492 399 D HN 0.427 nan 8.370 nan 0.000 0.492 400 E N -0.619 119.644 120.200 0.106 0.000 2.268 400 E HA -0.112 4.238 4.350 -0.001 0.000 0.195 400 E C 2.015 178.513 176.600 -0.170 0.000 0.995 400 E CA 1.148 57.517 56.400 -0.051 0.000 0.836 400 E CB -0.371 29.271 29.700 -0.097 0.000 0.763 400 E HN 0.553 nan 8.360 nan 0.000 0.491 401 Y N 0.721 121.027 120.300 0.010 0.000 2.571 401 Y HA 0.110 4.660 4.550 -0.001 0.000 0.294 401 Y C 2.335 178.166 175.900 -0.115 0.000 1.141 401 Y CA 0.498 58.651 58.100 0.089 0.000 1.308 401 Y CB -0.349 38.359 38.460 0.413 0.000 1.002 401 Y HN 0.122 nan 8.280 nan 0.000 0.551 402 A N 0.127 122.883 122.820 -0.107 0.000 1.933 402 A HA -0.240 4.079 4.320 -0.001 0.000 0.218 402 A C 2.052 179.204 177.584 -0.721 0.000 1.175 402 A CA 1.813 53.639 52.037 -0.352 0.000 0.628 402 A CB -0.495 18.356 19.000 -0.249 0.000 0.814 402 A HN 0.346 nan 8.150 nan 0.000 0.444 403 E N -0.681 119.235 120.200 -0.474 0.000 2.267 403 E HA -0.189 4.160 4.350 -0.001 0.000 0.197 403 E C 1.307 177.648 176.600 -0.432 0.000 0.998 403 E CA 1.347 57.531 56.400 -0.360 0.000 0.830 403 E CB -0.562 28.925 29.700 -0.355 0.000 0.751 403 E HN 0.800 nan 8.360 nan 0.000 0.491 404 Y N -0.946 119.163 120.300 -0.319 0.000 2.516 404 Y HA 0.044 4.593 4.550 -0.001 0.000 0.291 404 Y C 1.833 177.620 175.900 -0.189 0.000 1.131 404 Y CA 0.364 58.255 58.100 -0.349 0.000 1.281 404 Y CB 0.128 38.144 38.460 -0.740 0.000 1.013 404 Y HN 0.076 nan 8.280 nan 0.000 0.554 405 I N -1.623 118.868 120.570 -0.131 0.000 2.480 405 I HA -0.224 3.945 4.170 -0.001 0.000 0.251 405 I C 1.466 177.481 176.117 -0.169 0.000 1.124 405 I CA 0.777 62.000 61.300 -0.129 0.000 1.444 405 I CB -0.334 37.496 38.000 -0.283 0.000 1.098 405 I HN 0.142 nan 8.210 nan 0.000 0.428 406 Y N 1.249 121.528 120.300 -0.036 0.000 2.242 406 Y HA -0.166 4.383 4.550 -0.001 0.000 0.291 406 Y C 2.572 178.460 175.900 -0.020 0.000 1.137 406 Y CA 0.601 58.681 58.100 -0.034 0.000 1.181 406 Y CB -1.155 37.309 38.460 0.006 0.000 0.989 406 Y HN 0.203 nan 8.280 nan 0.000 0.527 407 Q N -0.010 119.858 119.800 0.114 0.000 2.297 407 Q HA -0.177 4.163 4.340 -0.001 0.000 0.208 407 Q C 1.900 177.946 176.000 0.076 0.000 0.981 407 Q CA 1.319 57.168 55.803 0.078 0.000 0.876 407 Q CB -0.121 28.645 28.738 0.047 0.000 0.921 407 Q HN 0.530 nan 8.270 nan 0.000 0.446 408 R N -0.574 119.968 120.500 0.070 0.000 2.206 408 R HA 0.166 4.506 4.340 -0.001 0.000 0.198 408 R C 0.357 176.688 176.300 0.051 0.000 0.986 408 R CA 0.291 56.436 56.100 0.075 0.000 1.029 408 R CB 0.626 30.988 30.300 0.103 0.000 0.966 408 R HN -0.099 nan 8.270 nan 0.000 0.487 409 R N 0.284 120.783 120.500 -0.001 0.000 2.629 409 R HA 0.200 4.539 4.340 -0.001 0.000 0.275 409 R C -2.398 173.979 176.300 0.129 0.000 1.719 409 R CA -1.515 54.584 56.100 -0.001 0.000 1.472 409 R CB 1.546 31.659 30.300 -0.311 0.000 1.237 409 R HN -0.065 nan 8.270 nan 0.000 0.589 410 P HA -0.283 nan 4.420 nan 0.000 0.217 410 P C 1.189 178.602 177.300 0.189 0.000 1.151 410 P CA 1.250 64.442 63.100 0.153 0.000 0.849 410 P CB 0.273 32.034 31.700 0.102 0.000 0.787 411 E N -1.034 119.309 120.200 0.239 0.000 2.333 411 E HA -0.230 4.120 4.350 -0.001 0.000 0.200 411 E C 0.907 177.655 176.600 0.247 0.000 1.010 411 E CA 1.337 57.868 56.400 0.218 0.000 0.841 411 E CB -1.248 28.573 29.700 0.200 0.000 0.757 411 E HN 0.344 nan 8.360 nan 0.000 0.508 412 Y N 1.271 121.622 120.300 0.085 0.000 2.578 412 Y HA 0.108 4.657 4.550 -0.002 0.000 0.297 412 Y C 2.245 178.043 175.900 -0.170 0.000 1.176 412 Y CA 0.148 58.298 58.100 0.083 0.000 1.315 412 Y CB -0.114 38.547 38.460 0.335 0.000 1.031 412 Y HN 0.027 nan 8.280 nan 0.000 0.524 413 R N -1.133 119.335 120.500 -0.053 0.000 2.046 413 R HA -0.030 4.309 4.340 -0.001 0.000 0.223 413 R C 0.505 176.767 176.300 -0.063 0.000 1.179 413 R CA 0.855 56.823 56.100 -0.220 0.000 0.952 413 R CB -0.441 29.786 30.300 -0.122 0.000 0.843 413 R HN 0.139 nan 8.270 nan 0.000 0.439 414 H N 0.418 119.434 119.070 -0.091 0.000 2.672 414 H HA 0.219 4.774 4.556 -0.001 0.000 0.262 414 H C -1.281 174.014 175.328 -0.056 0.000 1.577 414 H CA -0.163 55.845 56.048 -0.067 0.000 1.183 414 H CB -0.287 29.449 29.762 -0.044 0.000 1.546 414 H HN -0.118 nan 8.280 nan 0.000 0.502 415 L N 1.782 122.961 121.223 -0.072 0.000 2.353 415 L HA 0.310 4.649 4.340 -0.001 0.000 0.270 415 L C -0.221 176.582 176.870 -0.112 0.000 1.003 415 L CA -0.683 54.103 54.840 -0.089 0.000 0.862 415 L CB 0.667 42.663 42.059 -0.105 0.000 1.221 415 L HN 0.244 nan 8.230 nan 0.000 0.430 416 S N 3.440 119.068 115.700 -0.119 0.000 2.670 416 S HA 0.220 4.690 4.470 -0.001 0.000 0.308 416 S C 0.999 175.555 174.600 -0.074 0.000 1.232 416 S CA 0.054 58.191 58.200 -0.105 0.000 1.126 416 S CB 0.662 63.805 63.200 -0.096 0.000 0.897 416 S HN 0.858 nan 8.310 nan 0.000 0.508 417 A N 3.776 126.561 122.820 -0.060 0.000 2.579 417 A HA 0.619 4.938 4.320 -0.001 0.000 0.273 417 A C 1.460 179.028 177.584 -0.028 0.000 1.363 417 A CA -0.066 51.951 52.037 -0.034 0.000 0.953 417 A CB -1.470 17.525 19.000 -0.009 0.000 1.034 417 A HN 2.113 nan 8.150 nan 0.000 0.536 418 G N 0.015 108.792 108.800 -0.037 0.000 2.682 418 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.256 418 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.256 418 G C -0.268 174.615 174.900 -0.028 0.000 1.333 418 G CA 0.078 45.160 45.100 -0.030 0.000 0.904 418 G HN 0.524 nan 8.290 nan 0.000 0.569 419 D N 0.636 121.022 120.400 -0.022 0.000 2.365 419 D HA 0.315 4.954 4.640 -0.001 0.000 0.237 419 D C 1.532 177.822 176.300 -0.017 0.000 1.190 419 D CA 0.322 54.309 54.000 -0.022 0.000 0.867 419 D CB 0.839 41.627 40.800 -0.020 0.000 1.050 419 D HN 0.880 nan 8.370 nan 0.000 0.491 420 V N 1.948 121.849 119.914 -0.021 0.000 3.342 420 V HA 0.326 4.445 4.120 -0.001 0.000 0.322 420 V C 1.670 177.741 176.094 -0.037 0.000 1.370 420 V CA 0.372 62.659 62.300 -0.022 0.000 1.170 420 V CB 0.051 31.861 31.823 -0.023 0.000 1.101 420 V HN 0.447 nan 8.190 nan 0.000 0.442 421 A N 1.129 123.929 122.820 -0.034 0.000 1.873 421 A HA -0.047 4.273 4.320 -0.001 0.000 0.215 421 A C 2.198 179.758 177.584 -0.038 0.000 1.186 421 A CA 2.256 54.270 52.037 -0.039 0.000 0.616 421 A CB -0.672 18.309 19.000 -0.031 0.000 0.823 421 A HN 0.506 nan 8.150 nan 0.000 0.442 422 V N 0.209 120.109 119.914 -0.025 0.000 2.332 422 V HA -0.297 3.822 4.120 -0.001 0.000 0.248 422 V C 2.711 178.793 176.094 -0.020 0.000 1.055 422 V CA 2.074 64.363 62.300 -0.017 0.000 1.038 422 V CB -0.946 30.875 31.823 -0.003 0.000 0.651 422 V HN 0.534 nan 8.190 nan 0.000 0.450 423 Q N 0.455 120.244 119.800 -0.019 0.000 2.046 423 Q HA -0.168 4.171 4.340 -0.001 0.000 0.200 423 Q C 2.288 178.219 176.000 -0.114 0.000 0.975 423 Q CA 1.466 57.257 55.803 -0.020 0.000 0.836 423 Q CB -0.477 28.270 28.738 0.016 0.000 0.896 423 Q HN 0.629 nan 8.270 nan 0.000 0.428 424 K N 0.881 121.193 120.400 -0.148 0.000 2.113 424 K HA -0.185 4.134 4.320 -0.001 0.000 0.208 424 K C 2.086 178.592 176.600 -0.158 0.000 1.047 424 K CA 1.249 57.412 56.287 -0.206 0.000 0.928 424 K CB -0.127 32.284 32.500 -0.148 0.000 0.716 424 K HN 0.107 nan 8.250 nan 0.000 0.446 425 K N 1.190 121.535 120.400 -0.093 0.000 2.148 425 K HA -0.133 4.186 4.320 -0.001 0.000 0.204 425 K C 2.101 178.672 176.600 -0.047 0.000 1.050 425 K CA 0.712 56.964 56.287 -0.060 0.000 0.942 425 K CB 0.011 32.489 32.500 -0.036 0.000 0.724 425 K HN 0.030 nan 8.250 nan 0.000 0.446 426 L N 1.424 122.622 121.223 -0.043 0.000 2.156 426 L HA -0.053 4.286 4.340 -0.001 0.000 0.208 426 L C 2.347 179.217 176.870 -0.000 0.000 1.095 426 L CA 1.442 56.282 54.840 0.001 0.000 0.770 426 L CB -0.424 41.662 42.059 0.045 0.000 0.914 426 L HN 0.088 nan 8.230 nan 0.000 0.439 427 R N -0.712 119.712 120.500 -0.126 0.000 2.115 427 R HA -0.122 4.218 4.340 -0.001 0.000 0.230 427 R C 2.243 178.501 176.300 -0.070 0.000 1.111 427 R CA 1.448 57.426 56.100 -0.203 0.000 0.976 427 R CB -0.151 29.754 30.300 -0.657 0.000 0.870 427 R HN 0.684 nan 8.270 nan 0.000 0.445 428 S N -0.372 115.288 115.700 -0.067 0.000 2.388 428 S HA -0.098 4.371 4.470 -0.001 0.000 0.223 428 S C 1.954 176.557 174.600 0.005 0.000 1.034 428 S CA 0.777 58.961 58.200 -0.027 0.000 0.963 428 S CB -0.204 62.974 63.200 -0.036 0.000 0.827 428 S HN 0.425 nan 8.310 nan 0.000 0.481 429 S N 1.487 117.191 115.700 0.007 0.000 2.537 429 S HA 0.147 4.616 4.470 -0.001 0.000 0.240 429 S C 1.478 176.106 174.600 0.046 0.000 0.981 429 S CA 0.605 58.818 58.200 0.023 0.000 0.948 429 S CB -0.686 62.526 63.200 0.019 0.000 0.759 429 S HN 0.532 nan 8.310 nan 0.000 0.531 430 L N 0.292 121.553 121.223 0.064 0.000 2.590 430 L HA 0.263 4.602 4.340 -0.001 0.000 0.227 430 L C -0.106 176.823 176.870 0.098 0.000 1.099 430 L CA -0.236 54.663 54.840 0.098 0.000 0.872 430 L CB -0.367 41.775 42.059 0.139 0.000 1.088 430 L HN 0.192 nan 8.230 nan 0.000 0.479 431 N N 0.559 119.301 118.700 0.071 0.000 2.641 431 N HA -0.159 4.580 4.740 -0.001 0.000 0.267 431 N C -0.577 174.974 175.510 0.069 0.000 1.087 431 N CA 0.556 53.639 53.050 0.055 0.000 0.731 431 N CB -1.533 36.979 38.487 0.042 0.000 0.886 431 N HN 0.235 nan 8.380 nan 0.000 0.547 432 c N 0.581 119.242 118.600 0.102 0.000 2.349 432 c HA 0.464 5.033 4.570 -0.001 0.000 0.361 432 c C 1.276 175.412 174.090 0.077 0.000 1.189 432 c CA -1.083 55.327 56.329 0.135 0.000 2.155 432 c CB 1.527 44.217 42.510 0.300 0.000 2.336 432 c HN 0.284 nan 8.230 nan 0.000 0.540 433 K N 1.072 121.480 120.400 0.014 0.000 2.273 433 K HA 0.325 4.644 4.320 -0.001 0.000 0.240 433 K C 0.543 177.255 176.600 0.186 0.000 1.056 433 K CA 0.077 56.342 56.287 -0.037 0.000 0.910 433 K CB 0.098 32.349 32.500 -0.415 0.000 1.196 433 K HN 0.880 nan 8.250 nan 0.000 0.509 434 S N -0.888 114.956 115.700 0.240 0.000 2.645 434 S HA 0.166 4.635 4.470 -0.001 0.000 0.266 434 S C 1.017 175.879 174.600 0.436 0.000 1.258 434 S CA -0.602 57.786 58.200 0.314 0.000 0.990 434 S CB 0.324 63.691 63.200 0.277 0.000 0.967 434 S HN 0.551 nan 8.310 nan 0.000 0.556 435 F N 1.046 121.163 119.950 0.277 0.000 2.325 435 F HA 0.101 4.627 4.527 -0.001 0.000 0.299 435 F C 2.289 178.231 175.800 0.236 0.000 1.090 435 F CA 1.195 59.326 58.000 0.218 0.000 1.392 435 F CB -0.165 38.889 39.000 0.091 0.000 1.053 435 F HN 0.651 nan 8.300 nan 0.000 0.521 436 K N 0.129 120.744 120.400 0.360 0.000 2.032 436 K HA -0.284 4.035 4.320 -0.001 0.000 0.209 436 K C 1.823 178.524 176.600 0.168 0.000 1.048 436 K CA 2.182 58.668 56.287 0.332 0.000 0.927 436 K CB -0.949 31.774 32.500 0.372 0.000 0.712 436 K HN 0.499 nan 8.250 nan 0.000 0.441 437 W N 0.219 121.558 121.300 0.065 0.000 2.335 437 W HA -0.264 4.395 4.660 -0.002 0.000 0.311 437 W C 1.778 178.270 176.519 -0.045 0.000 1.213 437 W CA 2.029 59.396 57.345 0.036 0.000 1.274 437 W CB -0.731 28.783 29.460 0.089 0.000 1.148 437 W HN 0.162 nan 8.180 nan 0.000 0.498 438 F N 0.971 120.767 119.950 -0.258 0.000 2.043 438 F HA -0.345 4.181 4.527 -0.001 0.000 0.297 438 F C 2.278 177.655 175.800 -0.705 0.000 1.121 438 F CA 2.805 60.429 58.000 -0.627 0.000 1.199 438 F CB -0.709 37.928 39.000 -0.606 0.000 0.968 438 F HN -0.208 nan 8.300 nan 0.000 0.478 439 M N -0.034 119.228 119.600 -0.564 0.000 2.149 439 M HA -0.169 4.310 4.480 -0.001 0.000 0.261 439 M C 2.083 178.183 176.300 -0.334 0.000 1.064 439 M CA 1.891 56.908 55.300 -0.472 0.000 1.102 439 M CB -1.863 30.474 32.600 -0.439 0.000 1.369 439 M HN 0.169 nan 8.290 nan 0.000 0.408 440 T N 0.224 114.609 114.554 -0.282 0.000 2.978 440 T HA -0.006 4.343 4.350 -0.001 0.000 0.262 440 T C 1.934 176.488 174.700 -0.244 0.000 1.063 440 T CA 0.869 62.864 62.100 -0.175 0.000 1.140 440 T CB 0.300 69.113 68.868 -0.091 0.000 0.886 440 T HN 0.241 nan 8.240 nan 0.000 0.470 441 K N 0.171 120.253 120.400 -0.529 0.000 2.350 441 K HA 0.320 4.640 4.320 -0.001 0.000 0.196 441 K C 1.770 178.060 176.600 -0.517 0.000 1.084 441 K CA 0.281 56.259 56.287 -0.515 0.000 0.967 441 K CB 0.366 32.387 32.500 -0.799 0.000 0.950 441 K HN 0.269 nan 8.250 nan 0.000 0.512 442 I N 0.333 120.342 120.570 -0.935 0.000 2.810 442 I HA 0.080 4.249 4.170 -0.001 0.000 0.262 442 I C 1.531 177.028 176.117 -1.033 0.000 1.131 442 I CA 0.682 61.312 61.300 -1.117 0.000 1.453 442 I CB -0.613 36.379 38.000 -1.681 0.000 1.161 442 I HN -0.143 nan 8.210 nan 0.000 0.444 443 A N 0.960 123.123 122.820 -1.094 0.000 2.545 443 A HA 0.064 4.383 4.320 -0.001 0.000 0.277 443 A C 1.554 178.815 177.584 -0.539 0.000 1.301 443 A CA -0.667 50.874 52.037 -0.825 0.000 0.935 443 A CB -0.990 17.532 19.000 -0.796 0.000 1.093 443 A HN 0.595 nan 8.150 nan 0.000 0.519 444 W N 0.965 122.028 121.300 -0.395 0.000 2.436 444 W HA -0.208 4.451 4.660 -0.002 0.000 0.261 444 W C 0.198 176.626 176.519 -0.151 0.000 1.222 444 W CA 1.207 58.403 57.345 -0.248 0.000 1.191 444 W CB -0.605 28.715 29.460 -0.234 0.000 1.132 444 W HN 0.582 nan 8.180 nan 0.000 0.596 445 D N 1.084 121.105 120.400 -0.632 0.000 2.355 445 D HA -0.111 4.528 4.640 -0.001 0.000 0.206 445 D C 2.165 178.415 176.300 -0.084 0.000 1.010 445 D CA 0.329 54.078 54.000 -0.419 0.000 0.875 445 D CB -1.001 39.339 40.800 -0.767 0.000 0.966 445 D HN 0.332 nan 8.370 nan 0.000 0.512 446 L N 1.605 122.745 121.223 -0.138 0.000 2.013 446 L HA -0.083 4.256 4.340 -0.001 0.000 0.212 446 L C -0.735 176.220 176.870 0.141 0.000 1.073 446 L CA 1.867 56.697 54.840 -0.016 0.000 0.753 446 L CB -1.268 40.627 42.059 -0.272 0.000 0.890 446 L HN -0.022 nan 8.230 nan 0.000 0.432 447 P HA -0.214 nan 4.420 nan 0.000 0.226 447 P C 1.116 178.441 177.300 0.042 0.000 1.146 447 P CA 1.407 64.597 63.100 0.150 0.000 0.773 447 P CB -0.120 31.652 31.700 0.120 0.000 0.772 448 K N -0.428 119.958 120.400 -0.022 0.000 2.057 448 K HA -0.095 4.224 4.320 -0.001 0.000 0.206 448 K C 1.575 177.982 176.600 -0.322 0.000 1.050 448 K CA 1.423 57.564 56.287 -0.242 0.000 0.935 448 K CB -0.264 31.968 32.500 -0.446 0.000 0.715 448 K HN 0.075 nan 8.250 nan 0.000 0.439 449 F N -1.544 118.360 119.950 -0.078 0.000 2.678 449 F HA 0.135 4.661 4.527 -0.002 0.000 0.291 449 F C 0.166 175.607 175.800 -0.597 0.000 1.123 449 F CA -0.186 57.623 58.000 -0.319 0.000 1.395 449 F CB 0.430 39.121 39.000 -0.515 0.000 1.121 449 F HN -0.119 nan 8.300 nan 0.000 0.592 450 Y N 1.684 122.180 120.300 0.328 0.000 2.511 450 Y HA 0.331 4.880 4.550 -0.002 0.000 0.356 450 Y C -2.575 173.529 175.900 0.340 0.000 1.002 450 Y CA -3.320 54.949 58.100 0.282 0.000 1.127 450 Y CB -0.114 38.387 38.460 0.068 0.000 1.137 450 Y HN -0.214 nan 8.280 nan 0.000 0.652 451 P HA 0.033 nan 4.420 nan 0.000 0.267 451 P C -2.018 175.279 177.300 -0.004 0.000 1.205 451 P CA -1.203 61.908 63.100 0.019 0.000 0.765 451 P CB 1.672 33.158 31.700 -0.356 0.000 0.828 452 P HA -0.122 nan 4.420 nan 0.000 0.218 452 P C 0.241 177.113 177.300 -0.713 0.000 1.146 452 P CA 1.270 63.682 63.100 -1.147 0.000 0.813 452 P CB 0.288 30.962 31.700 -1.710 0.000 0.778 453 V N 0.669 120.316 119.914 -0.444 0.000 2.569 453 V HA 0.188 4.308 4.120 -0.001 0.000 0.301 453 V C 0.014 175.902 176.094 -0.344 0.000 1.044 453 V CA -0.827 61.298 62.300 -0.292 0.000 0.874 453 V CB 2.383 34.071 31.823 -0.226 0.000 1.002 453 V HN -0.080 nan 8.190 nan 0.000 0.424 454 E N 5.121 125.123 120.200 -0.330 0.000 2.283 454 E HA 0.361 4.710 4.350 -0.001 0.000 0.278 454 E C -2.434 173.839 176.600 -0.544 0.000 1.027 454 E CA -1.622 54.415 56.400 -0.605 0.000 0.843 454 E CB 1.013 30.505 29.700 -0.346 0.000 1.062 454 E HN 0.429 nan 8.360 nan 0.000 0.401 455 P HA 0.037 nan 4.420 nan 0.000 0.269 455 P C -2.263 174.951 177.300 -0.143 0.000 1.215 455 P CA -0.781 62.110 63.100 -0.349 0.000 0.780 455 P CB -0.151 31.376 31.700 -0.288 0.000 0.898 456 P HA 0.049 nan 4.420 nan 0.000 0.271 456 P C -0.737 176.602 177.300 0.064 0.000 1.238 456 P CA -0.049 63.036 63.100 -0.024 0.000 0.794 456 P CB 0.418 32.106 31.700 -0.019 0.000 0.959 457 A N 0.099 122.941 122.820 0.037 0.000 2.271 457 A HA 0.544 4.863 4.320 -0.001 0.000 0.288 457 A C 1.353 179.064 177.584 0.212 0.000 1.094 457 A CA 0.114 52.220 52.037 0.114 0.000 0.828 457 A CB 0.273 19.318 19.000 0.075 0.000 1.091 457 A HN 0.541 nan 8.150 nan 0.000 0.493 458 A N 0.134 123.085 122.820 0.218 0.000 1.911 458 A HA 0.573 4.892 4.320 -0.001 0.000 0.212 458 A C 1.044 178.790 177.584 0.271 0.000 1.189 458 A CA 1.490 53.684 52.037 0.261 0.000 0.639 458 A CB -0.270 18.921 19.000 0.318 0.000 0.839 458 A HN 2.269 nan 8.150 nan 0.000 0.449 459 A N -1.554 121.404 122.820 0.229 0.000 2.540 459 A HA 0.577 4.896 4.320 -0.001 0.000 0.297 459 A C -1.265 176.518 177.584 0.332 0.000 1.056 459 A CA -0.089 51.941 52.037 -0.013 0.000 0.700 459 A CB 0.242 18.671 19.000 -0.952 0.000 1.280 459 A HN 1.289 nan 8.150 nan 0.000 0.398 460 W N 1.092 122.565 121.300 0.288 0.000 3.213 460 W HA 0.784 5.443 4.660 -0.002 0.000 0.318 460 W C 0.133 176.842 176.519 0.317 0.000 1.248 460 W CA -0.332 57.236 57.345 0.371 0.000 1.187 460 W CB 0.717 30.312 29.460 0.226 0.000 1.403 460 W HN 2.127 nan 8.180 nan 0.000 0.556 461 G N 1.594 110.577 108.800 0.304 0.000 2.217 461 G HA2 0.142 4.101 3.960 -0.001 0.000 0.173 461 G HA3 0.142 4.101 3.960 -0.001 0.000 0.173 461 G C -1.169 173.704 174.900 -0.044 0.000 1.324 461 G CA -0.256 44.859 45.100 0.025 0.000 1.225 461 G HN 1.158 nan 8.290 nan 0.000 0.494 462 E N -0.018 120.096 120.200 -0.143 0.000 2.191 462 E HA 0.676 5.026 4.350 -0.001 0.000 0.278 462 E C -0.417 176.023 176.600 -0.267 0.000 0.972 462 E CA -0.945 55.389 56.400 -0.110 0.000 0.804 462 E CB 2.030 31.685 29.700 -0.075 0.000 1.110 462 E HN 0.530 nan 8.360 nan 0.000 0.394 463 I N 3.311 123.719 120.570 -0.271 0.000 2.291 463 I HA 0.243 4.412 4.170 -0.001 0.000 0.290 463 I C 0.228 176.325 176.117 -0.033 0.000 1.050 463 I CA -0.522 60.524 61.300 -0.423 0.000 1.245 463 I CB 0.558 38.163 38.000 -0.658 0.000 1.405 463 I HN 0.479 nan 8.210 nan 0.000 0.478 464 R N 5.141 125.643 120.500 0.003 0.000 2.294 464 R HA 0.271 4.610 4.340 -0.001 0.000 0.319 464 R C -0.353 175.963 176.300 0.025 0.000 0.984 464 R CA -0.652 55.468 56.100 0.033 0.000 0.861 464 R CB 0.896 31.180 30.300 -0.028 0.000 1.104 464 R HN 0.521 nan 8.270 nan 0.000 0.451 465 N N 2.972 121.593 118.700 -0.131 0.000 2.411 465 N HA 0.026 4.765 4.740 -0.001 0.000 0.259 465 N C 0.916 176.200 175.510 -0.377 0.000 1.103 465 N CA -0.263 52.430 53.050 -0.595 0.000 0.954 465 N CB 1.375 39.295 38.487 -0.945 0.000 1.085 465 N HN 0.432 nan 8.380 nan 0.000 0.485 466 V N 3.086 122.795 119.914 -0.341 0.000 2.407 466 V HA -0.136 3.983 4.120 -0.001 0.000 0.248 466 V C 2.218 178.186 176.094 -0.211 0.000 1.055 466 V CA 2.105 64.279 62.300 -0.211 0.000 1.049 466 V CB -1.384 30.344 31.823 -0.160 0.000 0.662 466 V HN 0.806 nan 8.190 nan 0.000 0.455 467 G N 1.199 109.831 108.800 -0.281 0.000 2.604 467 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.216 467 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.216 467 G C 1.763 176.555 174.900 -0.180 0.000 1.265 467 G CA 2.010 46.978 45.100 -0.220 0.000 0.804 467 G HN 0.572 nan 8.290 nan 0.000 0.579 468 T N -2.146 112.285 114.554 -0.206 0.000 3.023 468 T HA 0.319 4.668 4.350 -0.001 0.000 0.266 468 T C 2.099 176.720 174.700 -0.132 0.000 1.093 468 T CA 1.137 63.145 62.100 -0.152 0.000 1.129 468 T CB -0.078 68.700 68.868 -0.150 0.000 0.899 468 T HN 1.649 nan 8.240 nan 0.000 0.491 469 G N 1.223 109.932 108.800 -0.152 0.000 2.267 469 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.257 469 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.257 469 G C 0.108 174.950 174.900 -0.096 0.000 0.998 469 G CA 0.261 45.292 45.100 -0.115 0.000 0.620 469 G HN 0.636 nan 8.290 nan 0.000 0.529 470 L N 0.088 121.252 121.223 -0.099 0.000 2.474 470 L HA 0.435 4.774 4.340 -0.001 0.000 0.259 470 L C 1.117 177.969 176.870 -0.030 0.000 1.232 470 L CA -0.397 54.405 54.840 -0.064 0.000 0.821 470 L CB 0.406 42.430 42.059 -0.059 0.000 1.108 470 L HN 0.289 nan 8.230 nan 0.000 0.495 471 c N 0.664 119.267 118.600 0.005 0.000 2.454 471 c HA 0.681 5.250 4.570 -0.001 0.000 0.336 471 c C 0.567 174.714 174.090 0.096 0.000 1.189 471 c CA -0.995 55.363 56.329 0.048 0.000 1.877 471 c CB 1.221 43.747 42.510 0.026 0.000 2.348 471 c HN 0.837 nan 8.230 nan 0.000 0.508 472 A N 2.148 125.046 122.820 0.131 0.000 2.440 472 A HA 0.523 4.843 4.320 -0.001 0.000 0.251 472 A C -0.407 177.297 177.584 0.200 0.000 1.089 472 A CA 0.373 52.464 52.037 0.090 0.000 0.779 472 A CB 0.255 19.168 19.000 -0.144 0.000 1.022 472 A HN 0.930 nan 8.150 nan 0.000 0.492 473 D N -0.795 119.697 120.400 0.154 0.000 2.610 473 D HA 0.754 5.393 4.640 -0.001 0.000 0.271 473 D C -1.204 175.192 176.300 0.159 0.000 1.174 473 D CA 0.027 54.135 54.000 0.179 0.000 0.949 473 D CB 1.993 42.855 40.800 0.104 0.000 1.430 473 D HN 0.421 nan 8.370 nan 0.000 0.467 474 T N 0.864 115.494 114.554 0.127 0.000 3.395 474 T HA 0.243 4.592 4.350 -0.001 0.000 0.330 474 T C -0.287 174.469 174.700 0.095 0.000 1.076 474 T CA -0.726 61.424 62.100 0.083 0.000 1.070 474 T CB 1.449 70.362 68.868 0.077 0.000 1.119 474 T HN 0.264 nan 8.240 nan 0.000 0.462 475 K N 1.533 122.000 120.400 0.112 0.000 3.120 475 K HA 0.008 4.327 4.320 -0.001 0.000 0.275 475 K C -0.155 176.579 176.600 0.223 0.000 0.914 475 K CA -0.002 56.386 56.287 0.168 0.000 1.125 475 K CB -0.530 32.033 32.500 0.105 0.000 1.053 475 K HN 0.648 nan 8.250 nan 0.000 0.450 476 H N -1.512 117.563 119.070 0.008 0.000 2.626 476 H HA -0.163 4.392 4.556 -0.001 0.000 0.317 476 H C 0.549 175.842 175.328 -0.058 0.000 1.140 476 H CA 0.855 56.890 56.048 -0.021 0.000 1.134 476 H CB -1.573 28.181 29.762 -0.013 0.000 1.486 476 H HN 0.486 nan 8.280 nan 0.000 0.417 477 G N -0.285 108.516 108.800 0.002 0.000 3.161 477 G HA2 0.510 4.469 3.960 -0.001 0.000 0.328 477 G HA3 0.510 4.469 3.960 -0.001 0.000 0.328 477 G C 0.898 175.705 174.900 -0.155 0.000 1.037 477 G CA 0.037 45.111 45.100 -0.044 0.000 1.416 477 G HN 0.536 nan 8.290 nan 0.000 0.486 478 A N 2.587 125.229 122.820 -0.297 0.000 2.168 478 A HA 0.092 4.411 4.320 -0.001 0.000 0.215 478 A C 1.978 179.275 177.584 -0.478 0.000 1.152 478 A CA 0.466 52.070 52.037 -0.722 0.000 0.716 478 A CB -0.031 18.268 19.000 -1.169 0.000 0.794 478 A HN 0.626 nan 8.150 nan 0.000 0.465 479 L N -1.728 119.387 121.223 -0.179 0.000 2.217 479 L HA 0.153 4.492 4.340 -0.001 0.000 0.211 479 L C 1.403 178.303 176.870 0.049 0.000 1.107 479 L CA 1.330 56.153 54.840 -0.028 0.000 0.783 479 L CB 0.168 42.230 42.059 0.005 0.000 0.919 479 L HN 0.467 nan 8.230 nan 0.000 0.442 480 G N -1.685 107.126 108.800 0.019 0.000 3.771 480 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.221 480 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.221 480 G C 0.024 174.948 174.900 0.040 0.000 0.897 480 G CA -0.032 45.117 45.100 0.081 0.000 1.034 480 G HN 0.160 nan 8.290 nan 0.000 0.720 481 S N 1.890 117.594 115.700 0.006 0.000 2.563 481 S HA 0.393 4.862 4.470 -0.001 0.000 0.284 481 S C -1.683 172.915 174.600 -0.003 0.000 1.331 481 S CA -0.251 57.953 58.200 0.005 0.000 1.047 481 S CB 1.069 64.270 63.200 0.000 0.000 0.859 481 S HN 0.263 nan 8.310 nan 0.000 0.514 482 P HA 0.141 nan 4.420 nan 0.000 0.271 482 P C -0.640 176.623 177.300 -0.061 0.000 1.244 482 P CA -0.583 62.502 63.100 -0.025 0.000 0.793 482 P CB 0.384 32.086 31.700 0.003 0.000 0.984 483 L N 1.558 122.702 121.223 -0.131 0.000 2.315 483 L HA 0.248 4.587 4.340 -0.001 0.000 0.278 483 L C 0.719 177.516 176.870 -0.121 0.000 1.088 483 L CA 0.030 54.747 54.840 -0.204 0.000 0.899 483 L CB -0.696 41.076 42.059 -0.479 0.000 1.277 483 L HN 0.254 nan 8.230 nan 0.000 0.431 484 R N 2.671 123.147 120.500 -0.040 0.000 3.141 484 R HA 0.492 4.831 4.340 -0.001 0.000 0.244 484 R C -1.010 175.293 176.300 0.005 0.000 1.161 484 R CA -0.576 55.526 56.100 0.002 0.000 1.091 484 R CB 0.173 30.493 30.300 0.034 0.000 0.957 484 R HN 0.404 nan 8.270 nan 0.000 0.512 485 L N 0.534 121.771 121.223 0.024 0.000 2.580 485 L HA 0.295 4.634 4.340 -0.001 0.000 0.266 485 L C -1.309 175.569 176.870 0.013 0.000 0.955 485 L CA -0.075 54.782 54.840 0.029 0.000 0.886 485 L CB 1.684 43.757 42.059 0.023 0.000 1.263 485 L HN 0.538 nan 8.230 nan 0.000 0.406 486 E N 2.052 122.263 120.200 0.017 0.000 2.404 486 E HA 0.635 4.984 4.350 -0.001 0.000 0.264 486 E C -0.409 176.175 176.600 -0.026 0.000 0.946 486 E CA -0.839 55.556 56.400 -0.007 0.000 0.806 486 E CB 1.307 31.011 29.700 0.007 0.000 1.334 486 E HN 0.638 nan 8.360 nan 0.000 0.429 487 G N 0.228 108.994 108.800 -0.058 0.000 2.406 487 G HA2 0.203 4.162 3.960 -0.001 0.000 0.251 487 G HA3 0.203 4.162 3.960 -0.001 0.000 0.251 487 G C 0.214 175.080 174.900 -0.056 0.000 1.271 487 G CA -0.338 44.720 45.100 -0.069 0.000 0.859 487 G HN 0.426 nan 8.290 nan 0.000 0.540 488 c N 2.187 120.759 118.600 -0.046 0.000 2.523 488 c HA 0.046 4.615 4.570 -0.001 0.000 0.406 488 c C 1.924 175.990 174.090 -0.040 0.000 1.449 488 c CA -0.600 55.708 56.329 -0.034 0.000 1.588 488 c CB -0.044 42.444 42.510 -0.036 0.000 2.514 488 c HN 0.570 nan 8.230 nan 0.000 0.606 489 V N 3.239 123.137 119.914 -0.026 0.000 2.492 489 V HA 0.068 4.187 4.120 -0.001 0.000 0.241 489 V C 1.733 177.820 176.094 -0.011 0.000 1.041 489 V CA 0.791 63.078 62.300 -0.021 0.000 1.057 489 V CB -0.548 31.276 31.823 0.001 0.000 0.711 489 V HN 0.993 nan 8.190 nan 0.000 0.468 490 R N -0.555 119.940 120.500 -0.008 0.000 3.953 490 R HA -0.235 4.104 4.340 -0.001 0.000 0.340 490 R C 1.251 177.559 176.300 0.014 0.000 1.195 490 R CA 0.538 56.636 56.100 -0.003 0.000 0.929 490 R CB -1.848 28.447 30.300 -0.008 0.000 1.402 490 R HN 0.874 nan 8.270 nan 0.000 0.540 491 G N -0.576 108.236 108.800 0.020 0.000 2.179 491 G HA2 -0.378 3.581 3.960 -0.001 0.000 0.260 491 G HA3 -0.378 3.581 3.960 -0.001 0.000 0.260 491 G C 0.713 175.632 174.900 0.031 0.000 0.977 491 G CA 0.729 45.848 45.100 0.032 0.000 0.641 491 G HN 0.474 nan 8.290 nan 0.000 0.533 492 R N 0.324 120.837 120.500 0.021 0.000 2.290 492 R HA 0.337 4.676 4.340 -0.001 0.000 0.197 492 R C 1.753 178.066 176.300 0.021 0.000 0.913 492 R CA 0.441 56.553 56.100 0.019 0.000 1.040 492 R CB 0.348 30.653 30.300 0.008 0.000 0.992 492 R HN 0.394 nan 8.270 nan 0.000 0.500 493 G N 1.071 109.884 108.800 0.021 0.000 2.503 493 G HA2 0.077 4.037 3.960 -0.001 0.000 0.257 493 G HA3 0.077 4.037 3.960 -0.001 0.000 0.257 493 G C -0.716 174.235 174.900 0.086 0.000 1.214 493 G CA -0.539 44.577 45.100 0.025 0.000 0.839 493 G HN 0.150 nan 8.290 nan 0.000 0.559 494 E N 0.334 120.620 120.200 0.144 0.000 2.493 494 E HA 0.218 4.568 4.350 -0.001 0.000 0.255 494 E C 0.757 177.510 176.600 0.255 0.000 0.999 494 E CA 0.202 56.740 56.400 0.230 0.000 0.934 494 E CB 0.707 30.644 29.700 0.395 0.000 0.940 494 E HN 0.500 nan 8.360 nan 0.000 0.473 495 A N 3.606 126.509 122.820 0.138 0.000 2.958 495 A HA 0.287 4.606 4.320 -0.001 0.000 0.247 495 A C 1.004 178.617 177.584 0.048 0.000 1.679 495 A CA 0.539 52.633 52.037 0.095 0.000 1.345 495 A CB -0.397 18.634 19.000 0.052 0.000 1.013 495 A HN 0.638 nan 8.150 nan 0.000 0.641 496 A N -1.482 121.376 122.820 0.064 0.000 2.530 496 A HA 0.323 4.642 4.320 -0.001 0.000 0.214 496 A C 0.598 178.038 177.584 -0.241 0.000 1.352 496 A CA -0.180 51.776 52.037 -0.136 0.000 1.035 496 A CB -0.150 18.701 19.000 -0.250 0.000 1.296 496 A HN 0.637 nan 8.150 nan 0.000 0.563 497 W N 1.511 122.803 121.300 -0.014 0.000 3.400 497 W HA 0.323 4.982 4.660 -0.002 0.000 0.347 497 W C -0.011 176.507 176.519 -0.000 0.000 1.218 497 W CA -0.322 57.020 57.345 -0.005 0.000 1.837 497 W CB -0.654 28.808 29.460 0.005 0.000 1.067 497 W HN 0.370 nan 8.180 nan 0.000 0.701 498 N N 2.113 120.878 118.700 0.107 0.000 2.629 498 N HA -0.237 4.502 4.740 -0.001 0.000 0.278 498 N C -1.243 174.385 175.510 0.198 0.000 1.102 498 N CA 0.713 53.787 53.050 0.040 0.000 0.759 498 N CB -1.230 37.246 38.487 -0.018 0.000 0.911 498 N HN 0.135 nan 8.380 nan 0.000 0.553 499 N N 0.951 119.783 118.700 0.221 0.000 2.417 499 N HA 0.414 5.153 4.740 -0.001 0.000 0.274 499 N C -0.555 175.083 175.510 0.214 0.000 0.987 499 N CA -0.525 52.647 53.050 0.203 0.000 0.912 499 N CB 1.359 39.928 38.487 0.138 0.000 1.177 499 N HN 0.294 nan 8.380 nan 0.000 0.490 500 M N 2.456 122.117 119.600 0.103 0.000 2.065 500 M HA 0.220 4.699 4.480 -0.001 0.000 0.308 500 M C -0.777 175.404 176.300 -0.198 0.000 0.939 500 M CA -0.078 55.152 55.300 -0.116 0.000 0.890 500 M CB 0.297 32.622 32.600 -0.458 0.000 1.383 500 M HN 0.307 nan 8.290 nan 0.000 0.381 501 Q N 2.980 122.668 119.800 -0.187 0.000 2.206 501 Q HA 0.395 4.734 4.340 -0.001 0.000 0.265 501 Q C -0.750 175.036 176.000 -0.357 0.000 0.866 501 Q CA -0.268 55.440 55.803 -0.157 0.000 1.073 501 Q CB 0.779 29.513 28.738 -0.006 0.000 1.165 501 Q HN 0.528 nan 8.270 nan 0.000 0.465 502 V N 0.812 120.280 119.914 -0.744 0.000 2.540 502 V HA 0.597 4.716 4.120 -0.001 0.000 0.302 502 V C -0.683 174.827 176.094 -0.974 0.000 1.035 502 V CA -0.562 61.413 62.300 -0.540 0.000 0.873 502 V CB 1.030 32.714 31.823 -0.232 0.000 0.992 502 V HN 0.147 nan 8.190 nan 0.000 0.428 503 F N 0.633 120.593 119.950 0.017 0.000 2.715 503 F HA 0.800 5.326 4.527 -0.001 0.000 0.318 503 F C 0.091 175.991 175.800 0.167 0.000 1.141 503 F CA -0.705 57.300 58.000 0.008 0.000 0.950 503 F CB 2.541 41.456 39.000 -0.142 0.000 1.374 503 F HN 0.321 nan 8.300 nan 0.000 0.477 504 T N 0.866 115.629 114.554 0.350 0.000 3.032 504 T HA 0.277 4.627 4.350 -0.001 0.000 0.312 504 T C -1.499 173.348 174.700 0.245 0.000 1.078 504 T CA -0.436 61.862 62.100 0.330 0.000 1.028 504 T CB 1.186 70.165 68.868 0.185 0.000 1.091 504 T HN 0.520 nan 8.240 nan 0.000 0.457 505 F N 4.728 124.694 119.950 0.028 0.000 2.467 505 F HA 0.261 4.787 4.527 -0.001 0.000 0.349 505 F C 1.406 177.169 175.800 -0.061 0.000 1.182 505 F CA -0.834 57.095 58.000 -0.119 0.000 1.279 505 F CB -0.014 38.806 39.000 -0.300 0.000 1.626 505 F HN 0.669 nan 8.300 nan 0.000 0.596 506 T N 0.794 115.258 114.554 -0.151 0.000 2.856 506 T HA -0.200 4.149 4.350 -0.001 0.000 0.329 506 T C 1.562 176.029 174.700 -0.387 0.000 1.094 506 T CA -0.321 61.630 62.100 -0.248 0.000 1.112 506 T CB 0.519 69.151 68.868 -0.394 0.000 1.009 506 T HN 0.716 nan 8.240 nan 0.000 0.550 507 W N 1.649 122.849 121.300 -0.167 0.000 2.359 507 W HA -0.150 4.509 4.660 -0.002 0.000 0.275 507 W C 1.346 177.761 176.519 -0.175 0.000 1.217 507 W CA 0.590 57.839 57.345 -0.161 0.000 1.196 507 W CB -1.036 28.356 29.460 -0.114 0.000 1.129 507 W HN 0.658 nan 8.180 nan 0.000 0.566 508 R N 1.215 121.139 120.500 -0.961 0.000 2.323 508 R HA -0.056 4.283 4.340 -0.001 0.000 0.198 508 R C 0.452 176.509 176.300 -0.405 0.000 0.988 508 R CA 0.897 56.514 56.100 -0.804 0.000 1.041 508 R CB -0.375 29.302 30.300 -1.038 0.000 0.926 508 R HN -0.059 nan 8.270 nan 0.000 0.476 509 E N 0.388 120.321 120.200 -0.445 0.000 3.181 509 E HA -0.185 4.164 4.350 -0.001 0.000 0.293 509 E C -1.354 175.104 176.600 -0.236 0.000 0.936 509 E CA 1.296 57.449 56.400 -0.412 0.000 0.975 509 E CB -1.239 28.465 29.700 0.007 0.000 1.496 509 E HN 0.715 nan 8.360 nan 0.000 0.429 510 D N -1.530 118.708 120.400 -0.269 0.000 2.450 510 D HA 0.637 5.276 4.640 -0.001 0.000 0.238 510 D C -0.102 176.211 176.300 0.023 0.000 1.020 510 D CA -0.810 53.212 54.000 0.037 0.000 1.010 510 D CB 1.009 41.788 40.800 -0.036 0.000 1.342 510 D HN 0.091 nan 8.370 nan 0.000 0.530 511 I N 0.506 121.042 120.570 -0.057 0.000 2.382 511 I HA 0.400 4.569 4.170 -0.001 0.000 0.286 511 I C -0.255 175.554 176.117 -0.513 0.000 1.002 511 I CA -0.857 60.202 61.300 -0.402 0.000 1.135 511 I CB 1.026 38.339 38.000 -1.145 0.000 1.288 511 I HN 0.397 nan 8.210 nan 0.000 0.448 512 R N 6.784 127.151 120.500 -0.223 0.000 2.750 512 R HA 0.681 5.020 4.340 -0.001 0.000 0.281 512 R C -3.097 173.271 176.300 0.114 0.000 0.972 512 R CA -1.997 54.075 56.100 -0.046 0.000 0.912 512 R CB 1.918 32.216 30.300 -0.004 0.000 1.187 512 R HN 0.154 nan 8.270 nan 0.000 0.464 513 P HA 0.196 nan 4.420 nan 0.000 0.272 513 P C 0.050 177.353 177.300 0.006 0.000 1.223 513 P CA 0.723 63.894 63.100 0.118 0.000 0.784 513 P CB 0.912 32.678 31.700 0.110 0.000 0.923 514 G N 2.018 110.747 108.800 -0.118 0.000 2.662 514 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.686 514 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.686 514 G C -1.302 173.617 174.900 0.031 0.000 1.271 514 G CA -0.802 44.284 45.100 -0.024 0.000 0.816 514 G HN 0.540 nan 8.290 nan 0.000 0.608 515 D N 2.095 122.532 120.400 0.061 0.000 2.449 515 D HA 0.320 4.959 4.640 -0.001 0.000 0.236 515 D C -0.491 175.768 176.300 -0.069 0.000 1.149 515 D CA -0.098 53.921 54.000 0.032 0.000 0.878 515 D CB 0.762 41.572 40.800 0.017 0.000 1.198 515 D HN 0.283 nan 8.370 nan 0.000 0.446 516 P HA -0.222 nan 4.420 nan 0.000 0.223 516 P C 0.935 178.098 177.300 -0.227 0.000 1.144 516 P CA 1.238 64.211 63.100 -0.212 0.000 0.783 516 P CB 0.359 31.782 31.700 -0.461 0.000 0.771 517 Q N -0.922 118.662 119.800 -0.360 0.000 2.339 517 Q HA -0.048 4.292 4.340 -0.001 0.000 0.205 517 Q C 0.393 176.137 176.000 -0.426 0.000 0.925 517 Q CA 0.616 56.139 55.803 -0.467 0.000 0.898 517 Q CB 0.292 28.598 28.738 -0.721 0.000 1.013 517 Q HN 0.420 nan 8.270 nan 0.000 0.504 518 H N 0.689 119.761 119.070 0.003 0.000 2.471 518 H HA 0.205 4.760 4.556 -0.002 0.000 0.234 518 H C -0.209 175.131 175.328 0.021 0.000 1.388 518 H CA 0.020 56.080 56.048 0.019 0.000 1.198 518 H CB -0.168 29.609 29.762 0.024 0.000 1.714 518 H HN 0.165 nan 8.280 nan 0.000 0.536 519 T N -0.852 113.751 114.554 0.080 0.000 2.813 519 T HA 0.371 4.720 4.350 -0.001 0.000 0.297 519 T C 0.428 175.162 174.700 0.056 0.000 1.036 519 T CA -0.689 61.446 62.100 0.059 0.000 1.044 519 T CB 1.849 70.732 68.868 0.025 0.000 0.993 519 T HN 0.241 nan 8.240 nan 0.000 0.535 520 K N 0.553 120.988 120.400 0.058 0.000 2.208 520 K HA 0.340 4.660 4.320 -0.001 0.000 0.247 520 K C 0.355 176.877 176.600 -0.129 0.000 0.953 520 K CA -1.126 55.180 56.287 0.031 0.000 0.837 520 K CB 1.228 33.875 32.500 0.246 0.000 1.131 520 K HN 0.358 nan 8.250 nan 0.000 0.431 521 K N 2.024 122.170 120.400 -0.423 0.000 3.077 521 K HA 0.101 4.420 4.320 -0.001 0.000 0.269 521 K C -0.791 175.348 176.600 -0.768 0.000 0.973 521 K CA 0.436 56.397 56.287 -0.543 0.000 1.162 521 K CB -0.586 31.587 32.500 -0.544 0.000 1.079 521 K HN 0.334 nan 8.250 nan 0.000 0.456 522 F N -0.985 118.968 119.950 0.005 0.000 2.529 522 F HA 0.271 4.797 4.527 -0.002 0.000 0.320 522 F C 0.403 176.238 175.800 0.057 0.000 1.118 522 F CA -0.910 57.110 58.000 0.033 0.000 0.915 522 F CB 1.082 40.121 39.000 0.065 0.000 1.161 522 F HN -0.124 nan 8.300 nan 0.000 0.445 523 c N 1.921 120.670 118.600 0.249 0.000 2.719 523 c HA 0.474 5.043 4.570 -0.001 0.000 0.327 523 c C -0.059 174.274 174.090 0.405 0.000 1.238 523 c CA -1.143 55.311 56.329 0.208 0.000 1.727 523 c CB 1.753 44.311 42.510 0.080 0.000 2.256 523 c HN 0.738 nan 8.230 nan 0.000 0.489 524 F N 2.001 122.026 119.950 0.124 0.000 2.512 524 F HA 0.107 4.633 4.527 -0.002 0.000 0.350 524 F C 0.484 176.513 175.800 0.383 0.000 1.212 524 F CA 0.117 58.190 58.000 0.122 0.000 1.099 524 F CB 0.035 38.853 39.000 -0.303 0.000 1.238 524 F HN 0.596 nan 8.300 nan 0.000 0.600 525 D N 3.742 124.381 120.400 0.399 0.000 2.317 525 D HA 0.497 5.137 4.640 -0.001 0.000 0.234 525 D C -0.944 175.494 176.300 0.230 0.000 1.112 525 D CA -0.078 54.105 54.000 0.305 0.000 0.840 525 D CB 1.172 42.146 40.800 0.291 0.000 1.078 525 D HN 0.491 nan 8.370 nan 0.000 0.486 526 A N 4.157 127.111 122.820 0.223 0.000 2.353 526 A HA 0.490 4.809 4.320 -0.001 0.000 0.299 526 A C 0.336 178.054 177.584 0.224 0.000 1.089 526 A CA -0.640 51.525 52.037 0.214 0.000 0.736 526 A CB 0.484 19.627 19.000 0.238 0.000 1.195 526 A HN 0.617 nan 8.150 nan 0.000 0.447 527 I N 1.002 121.648 120.570 0.126 0.000 3.627 527 I HA 0.056 4.225 4.170 -0.001 0.000 0.221 527 I C 1.629 177.789 176.117 0.073 0.000 1.024 527 I CA 0.199 61.542 61.300 0.071 0.000 1.456 527 I CB -0.540 37.481 38.000 0.034 0.000 1.325 527 I HN 0.608 nan 8.210 nan 0.000 0.426 528 S N 1.023 116.774 115.700 0.084 0.000 2.559 528 S HA -0.094 4.375 4.470 -0.001 0.000 0.282 528 S C 0.938 175.653 174.600 0.191 0.000 1.336 528 S CA -0.300 57.986 58.200 0.145 0.000 1.037 528 S CB 0.105 63.367 63.200 0.102 0.000 0.853 528 S HN 0.498 nan 8.310 nan 0.000 0.523 529 H N 2.579 121.663 119.070 0.023 0.000 2.787 529 H HA 0.211 4.766 4.556 -0.001 0.000 0.302 529 H C 1.004 176.383 175.328 0.085 0.000 1.098 529 H CA 0.579 56.660 56.048 0.054 0.000 1.192 529 H CB -1.302 28.480 29.762 0.032 0.000 1.316 529 H HN 0.657 nan 8.280 nan 0.000 0.590 530 T N -4.146 110.360 114.554 -0.081 0.000 3.172 530 T HA 0.081 4.430 4.350 -0.001 0.000 0.261 530 T C 0.843 175.549 174.700 0.010 0.000 0.854 530 T CA 0.235 62.270 62.100 -0.109 0.000 0.848 530 T CB -0.427 68.277 68.868 -0.273 0.000 1.267 530 T HN 0.366 nan 8.240 nan 0.000 0.581 531 S N 3.359 119.085 115.700 0.042 0.000 2.589 531 S HA 0.476 4.945 4.470 -0.001 0.000 0.265 531 S C -1.940 172.737 174.600 0.128 0.000 1.342 531 S CA -0.839 57.401 58.200 0.065 0.000 1.005 531 S CB 0.476 63.711 63.200 0.059 0.000 0.909 531 S HN 0.346 nan 8.310 nan 0.000 0.555 532 P HA 0.288 nan 4.420 nan 0.000 0.317 532 P C -0.813 176.527 177.300 0.067 0.000 1.316 532 P CA -0.487 62.683 63.100 0.116 0.000 0.744 532 P CB 0.199 31.949 31.700 0.083 0.000 1.521 533 V N -0.904 118.997 119.914 -0.021 0.000 2.577 533 V HA 0.425 4.544 4.120 -0.001 0.000 0.303 533 V C 0.503 176.522 176.094 -0.124 0.000 1.042 533 V CA -0.419 61.830 62.300 -0.086 0.000 0.872 533 V CB 1.221 32.858 31.823 -0.309 0.000 0.998 533 V HN 0.787 nan 8.190 nan 0.000 0.423 534 T N 1.921 116.458 114.554 -0.029 0.000 2.905 534 T HA 0.792 5.141 4.350 -0.001 0.000 0.283 534 T C -0.572 174.183 174.700 0.092 0.000 1.031 534 T CA -0.858 61.249 62.100 0.011 0.000 1.002 534 T CB 1.727 70.635 68.868 0.067 0.000 1.200 534 T HN 0.332 nan 8.240 nan 0.000 0.560 535 L N 1.793 123.099 121.223 0.138 0.000 2.335 535 L HA 0.446 4.785 4.340 -0.001 0.000 0.268 535 L C -1.190 175.877 176.870 0.328 0.000 1.037 535 L CA -0.860 54.122 54.840 0.236 0.000 0.895 535 L CB 0.219 42.358 42.059 0.133 0.000 1.266 535 L HN 0.603 nan 8.230 nan 0.000 0.439 536 Y N 2.096 122.531 120.300 0.225 0.000 2.453 536 Y HA 0.279 4.828 4.550 -0.002 0.000 0.326 536 Y C 0.599 176.660 175.900 0.268 0.000 1.186 536 Y CA -1.008 57.230 58.100 0.230 0.000 1.200 536 Y CB 1.103 39.670 38.460 0.179 0.000 1.247 536 Y HN 0.462 nan 8.280 nan 0.000 0.482 537 D N 2.537 122.733 120.400 -0.340 0.000 2.571 537 D HA -0.049 4.590 4.640 -0.001 0.000 0.231 537 D C 0.282 176.517 176.300 -0.107 0.000 1.133 537 D CA 0.562 54.426 54.000 -0.226 0.000 0.862 537 D CB 0.513 41.103 40.800 -0.350 0.000 1.179 537 D HN 0.497 nan 8.370 nan 0.000 0.474 538 c N 1.576 120.093 118.600 -0.139 0.000 2.769 538 c HA 0.386 4.955 4.570 -0.001 0.000 0.296 538 c C 0.272 174.258 174.090 -0.172 0.000 1.538 538 c CA 0.062 56.260 56.329 -0.219 0.000 2.178 538 c CB -0.450 41.952 42.510 -0.181 0.000 2.077 538 c HN 0.964 nan 8.230 nan 0.000 0.648 539 H N -3.531 115.538 119.070 -0.003 0.000 2.998 539 H HA 0.171 4.726 4.556 -0.001 0.000 0.293 539 H C -0.859 174.469 175.328 0.001 0.000 1.248 539 H CA -0.307 55.743 56.048 0.002 0.000 1.691 539 H CB -0.969 28.806 29.762 0.023 0.000 2.267 539 H HN 0.274 nan 8.280 nan 0.000 0.448 540 S N 4.127 119.913 115.700 0.144 0.000 3.844 540 S HA 0.134 4.604 4.470 -0.001 0.000 0.193 540 S C -0.020 174.729 174.600 0.249 0.000 1.255 540 S CA -0.253 58.026 58.200 0.131 0.000 1.028 540 S CB -0.685 62.631 63.200 0.193 0.000 1.436 540 S HN 0.442 nan 8.310 nan 0.000 0.442 541 M N 1.633 121.431 119.600 0.330 0.000 1.960 541 M HA 0.225 4.704 4.480 -0.001 0.000 0.271 541 M C -0.474 175.975 176.300 0.247 0.000 0.862 541 M CA -0.464 54.995 55.300 0.265 0.000 0.854 541 M CB 0.749 33.441 32.600 0.153 0.000 1.575 541 M HN 0.082 nan 8.290 nan 0.000 0.375 542 K N 1.552 122.043 120.400 0.150 0.000 1.895 542 K HA 0.103 4.423 4.320 -0.001 0.000 0.229 542 K C 0.982 177.649 176.600 0.112 0.000 1.161 542 K CA 0.226 56.589 56.287 0.127 0.000 1.288 542 K CB -0.303 32.283 32.500 0.144 0.000 0.962 542 K HN 0.851 nan 8.250 nan 0.000 0.326 543 G N 1.657 110.541 108.800 0.141 0.000 2.581 543 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.194 543 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.194 543 G C 0.605 175.562 174.900 0.095 0.000 1.814 543 G CA -0.374 44.783 45.100 0.095 0.000 0.745 543 G HN 0.331 nan 8.290 nan 0.000 0.802 544 N N 0.754 119.551 118.700 0.162 0.000 2.521 544 N HA 0.096 4.835 4.740 -0.001 0.000 0.188 544 N C 1.294 176.898 175.510 0.156 0.000 1.146 544 N CA 0.396 53.570 53.050 0.207 0.000 0.893 544 N CB 0.515 39.111 38.487 0.182 0.000 0.975 544 N HN 0.429 nan 8.380 nan 0.000 0.451 545 Q N -0.060 119.805 119.800 0.109 0.000 2.157 545 Q HA 0.205 4.545 4.340 -0.001 0.000 0.229 545 Q C -0.782 175.239 176.000 0.034 0.000 0.827 545 Q CA -0.314 55.550 55.803 0.101 0.000 1.055 545 Q CB 0.780 29.534 28.738 0.027 0.000 1.157 545 Q HN 0.098 nan 8.270 nan 0.000 0.482 546 L N 0.591 121.732 121.223 -0.138 0.000 2.257 546 L HA 0.480 4.819 4.340 -0.001 0.000 0.290 546 L C -1.507 175.176 176.870 -0.312 0.000 1.044 546 L CA -0.129 54.662 54.840 -0.082 0.000 0.810 546 L CB 0.231 42.283 42.059 -0.012 0.000 1.193 546 L HN 0.027 nan 8.230 nan 0.000 0.425 547 W N 4.705 126.084 121.300 0.131 0.000 2.929 547 W HA 0.704 5.363 4.660 -0.001 0.000 0.345 547 W C -0.399 176.286 176.519 0.276 0.000 1.151 547 W CA -0.773 56.667 57.345 0.159 0.000 1.111 547 W CB 1.447 31.011 29.460 0.172 0.000 1.449 547 W HN 0.232 nan 8.180 nan 0.000 0.572 548 K N 1.610 122.294 120.400 0.475 0.000 2.535 548 K HA 0.219 4.538 4.320 -0.001 0.000 0.251 548 K C -2.177 174.612 176.600 0.316 0.000 0.942 548 K CA -0.947 55.569 56.287 0.381 0.000 0.798 548 K CB 2.262 34.896 32.500 0.224 0.000 1.267 548 K HN 0.704 nan 8.250 nan 0.000 0.434 549 Y N 4.142 124.470 120.300 0.047 0.000 2.417 549 Y HA 0.316 4.865 4.550 -0.002 0.000 0.336 549 Y C 0.028 175.949 175.900 0.036 0.000 0.961 549 Y CA -0.771 57.288 58.100 -0.069 0.000 1.215 549 Y CB 0.713 38.982 38.460 -0.317 0.000 1.120 549 Y HN 0.327 nan 8.280 nan 0.000 0.499 550 R N 3.627 124.044 120.500 -0.139 0.000 2.596 550 R HA 0.250 4.589 4.340 -0.001 0.000 0.267 550 R C 0.988 177.113 176.300 -0.293 0.000 1.026 550 R CA -0.528 55.480 56.100 -0.153 0.000 1.087 550 R CB 1.335 31.606 30.300 -0.049 0.000 1.132 550 R HN 0.748 nan 8.270 nan 0.000 0.531 551 K N 0.838 121.132 120.400 -0.176 0.000 2.173 551 K HA -0.187 4.132 4.320 -0.001 0.000 0.207 551 K C 0.782 177.292 176.600 -0.149 0.000 1.046 551 K CA 1.794 57.988 56.287 -0.156 0.000 0.929 551 K CB -0.092 32.359 32.500 -0.082 0.000 0.720 551 K HN 0.555 nan 8.250 nan 0.000 0.453 552 D N 0.793 121.120 120.400 -0.121 0.000 2.338 552 D HA -0.033 4.606 4.640 -0.001 0.000 0.239 552 D C -0.314 175.942 176.300 -0.073 0.000 1.095 552 D CA -0.025 53.929 54.000 -0.077 0.000 0.888 552 D CB -0.127 40.646 40.800 -0.045 0.000 0.899 552 D HN -0.183 nan 8.370 nan 0.000 0.525 553 K N -0.529 119.763 120.400 -0.180 0.000 3.419 553 K HA -0.129 4.190 4.320 -0.001 0.000 0.272 553 K C -0.749 175.941 176.600 0.150 0.000 0.973 553 K CA 0.741 56.957 56.287 -0.119 0.000 0.749 553 K CB -2.278 30.234 32.500 0.019 0.000 1.403 553 K HN 0.404 nan 8.250 nan 0.000 0.456 554 T N -0.544 114.099 114.554 0.149 0.000 2.887 554 T HA 0.680 5.029 4.350 -0.001 0.000 0.292 554 T C 0.065 175.007 174.700 0.402 0.000 1.087 554 T CA -0.962 61.343 62.100 0.342 0.000 1.009 554 T CB 1.525 70.535 68.868 0.238 0.000 1.203 554 T HN 0.140 nan 8.240 nan 0.000 0.518 555 L N 2.184 123.642 121.223 0.390 0.000 2.599 555 L HA 0.359 4.698 4.340 -0.001 0.000 0.241 555 L C -0.741 176.441 176.870 0.520 0.000 1.207 555 L CA -0.853 54.201 54.840 0.357 0.000 0.987 555 L CB -0.164 41.924 42.059 0.049 0.000 1.318 555 L HN 0.603 nan 8.230 nan 0.000 0.458 556 Y N 1.975 122.452 120.300 0.295 0.000 2.721 556 Y HA -0.073 4.476 4.550 -0.001 0.000 0.329 556 Y C 0.101 176.132 175.900 0.218 0.000 1.211 556 Y CA 0.059 58.295 58.100 0.227 0.000 1.512 556 Y CB 0.053 38.590 38.460 0.128 0.000 1.249 556 Y HN 0.316 nan 8.280 nan 0.000 0.549 557 H N 9.253 128.040 119.070 -0.471 0.000 2.683 557 H HA 0.235 4.790 4.556 -0.001 0.000 0.270 557 H C -1.783 172.969 175.328 -0.960 0.000 1.201 557 H CA -2.538 53.060 56.048 -0.750 0.000 1.277 557 H CB 1.218 30.578 29.762 -0.670 0.000 1.400 557 H HN 0.546 nan 8.280 nan 0.000 0.504 558 P HA -0.197 nan 4.420 nan 0.000 0.216 558 P C 1.400 178.417 177.300 -0.473 0.000 1.150 558 P CA 0.719 63.343 63.100 -0.793 0.000 0.837 558 P CB 0.476 31.908 31.700 -0.448 0.000 0.786 559 V N -0.538 119.033 119.914 -0.572 0.000 3.305 559 V HA -0.027 4.092 4.120 -0.001 0.000 0.269 559 V C 2.125 177.905 176.094 -0.523 0.000 1.157 559 V CA 2.074 64.082 62.300 -0.487 0.000 1.157 559 V CB -0.949 30.602 31.823 -0.455 0.000 0.772 559 V HN 0.166 nan 8.190 nan 0.000 0.498 560 S N -1.383 113.936 115.700 -0.636 0.000 2.632 560 S HA 0.307 4.777 4.470 -0.001 0.000 0.237 560 S C 1.471 175.973 174.600 -0.163 0.000 1.037 560 S CA 0.751 58.735 58.200 -0.361 0.000 1.009 560 S CB 0.525 63.534 63.200 -0.318 0.000 0.974 560 S HN 0.970 nan 8.310 nan 0.000 0.544 561 G N 1.728 110.433 108.800 -0.159 0.000 2.205 561 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.269 561 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.269 561 G C 0.320 175.365 174.900 0.241 0.000 0.977 561 G CA 0.984 46.127 45.100 0.072 0.000 0.652 561 G HN 1.090 nan 8.290 nan 0.000 0.539 562 S N -1.702 114.117 115.700 0.197 0.000 2.768 562 S HA 0.841 5.310 4.470 -0.001 0.000 0.300 562 S C 0.248 175.056 174.600 0.347 0.000 1.122 562 S CA -0.202 58.169 58.200 0.286 0.000 0.995 562 S CB 2.453 65.823 63.200 0.284 0.000 1.195 562 S HN 0.746 nan 8.310 nan 0.000 0.547 563 c N 0.083 118.886 118.600 0.338 0.000 2.871 563 c HA 0.637 5.207 4.570 -0.001 0.000 0.351 563 c C 0.013 174.315 174.090 0.353 0.000 1.338 563 c CA -0.843 55.712 56.329 0.377 0.000 1.686 563 c CB 1.395 44.108 42.510 0.338 0.000 2.135 563 c HN 0.952 nan 8.230 nan 0.000 0.476 564 M N 2.322 122.149 119.600 0.378 0.000 2.144 564 M HA 0.349 4.828 4.480 -0.001 0.000 0.356 564 M C -1.197 175.337 176.300 0.390 0.000 1.217 564 M CA 0.516 56.006 55.300 0.317 0.000 1.087 564 M CB 0.407 33.068 32.600 0.101 0.000 1.609 564 M HN 0.746 nan 8.290 nan 0.000 0.467 565 D N 3.861 124.405 120.400 0.240 0.000 2.671 565 D HA 0.529 5.168 4.640 -0.001 0.000 0.232 565 D C -1.195 174.979 176.300 -0.209 0.000 1.114 565 D CA -0.492 53.567 54.000 0.098 0.000 0.858 565 D CB 1.628 42.490 40.800 0.105 0.000 1.544 565 D HN 0.798 nan 8.370 nan 0.000 0.471 566 C N 0.712 119.854 119.300 -0.264 0.000 2.656 566 C HA 0.968 5.428 4.460 -0.001 0.000 0.404 566 C C -0.030 174.637 174.990 -0.538 0.000 1.423 566 C CA -0.691 58.080 59.018 -0.412 0.000 1.784 566 C CB 0.559 28.192 27.740 -0.178 0.000 2.093 566 C HN 0.602 nan 8.230 nan 0.000 0.492 567 S N -0.350 115.166 115.700 -0.306 0.000 2.478 567 S HA 0.414 4.883 4.470 -0.001 0.000 0.312 567 S C 0.116 174.710 174.600 -0.009 0.000 1.094 567 S CA -0.238 57.955 58.200 -0.013 0.000 1.081 567 S CB 1.263 64.633 63.200 0.283 0.000 1.007 567 S HN 0.772 nan 8.310 nan 0.000 0.475 568 E N 1.940 122.147 120.200 0.011 0.000 2.511 568 E HA 0.002 4.351 4.350 -0.001 0.000 0.196 568 E C 0.527 177.106 176.600 -0.034 0.000 1.066 568 E CA 0.319 56.702 56.400 -0.029 0.000 0.871 568 E CB 0.055 29.742 29.700 -0.021 0.000 0.863 568 E HN 0.812 nan 8.360 nan 0.000 0.520 569 S N 0.450 116.143 115.700 -0.012 0.000 2.552 569 S HA 0.113 4.582 4.470 -0.001 0.000 0.246 569 S C -0.167 174.166 174.600 -0.444 0.000 1.019 569 S CA -0.548 57.589 58.200 -0.105 0.000 1.045 569 S CB 0.056 63.312 63.200 0.093 0.000 0.784 569 S HN -0.099 nan 8.310 nan 0.000 0.453 570 D N 2.381 122.609 120.400 -0.286 0.000 2.803 570 D HA -0.148 4.491 4.640 -0.001 0.000 0.233 570 D C 0.159 176.214 176.300 -0.407 0.000 1.182 570 D CA 1.141 54.970 54.000 -0.286 0.000 0.726 570 D CB -0.961 39.707 40.800 -0.220 0.000 0.987 570 D HN 0.617 nan 8.370 nan 0.000 0.412 571 H N -0.932 118.157 119.070 0.031 0.000 3.690 571 H HA 0.508 5.063 4.556 -0.001 0.000 0.330 571 H C 1.318 176.667 175.328 0.035 0.000 1.693 571 H CA -0.573 55.508 56.048 0.055 0.000 1.349 571 H CB 0.694 30.523 29.762 0.112 0.000 1.539 571 H HN 0.102 nan 8.280 nan 0.000 0.757 572 R N 0.319 120.955 120.500 0.227 0.000 2.745 572 R HA 0.518 4.857 4.340 -0.001 0.000 0.251 572 R C -0.136 176.175 176.300 0.019 0.000 1.257 572 R CA -0.425 55.737 56.100 0.103 0.000 1.102 572 R CB 0.104 30.464 30.300 0.100 0.000 1.151 572 R HN 0.267 nan 8.270 nan 0.000 0.571 573 I N 0.640 121.187 120.570 -0.040 0.000 2.493 573 I HA 0.425 4.594 4.170 -0.001 0.000 0.298 573 I C -0.854 175.227 176.117 -0.059 0.000 0.998 573 I CA -0.948 60.251 61.300 -0.168 0.000 1.137 573 I CB 1.539 39.458 38.000 -0.136 0.000 1.310 573 I HN 0.505 nan 8.210 nan 0.000 0.445 574 F N 3.377 123.366 119.950 0.066 0.000 2.626 574 F HA 0.674 5.200 4.527 -0.002 0.000 0.311 574 F C -0.884 174.969 175.800 0.088 0.000 1.088 574 F CA -1.483 56.549 58.000 0.053 0.000 0.949 574 F CB 0.788 39.806 39.000 0.031 0.000 1.322 574 F HN 0.067 nan 8.300 nan 0.000 0.461 575 M N 2.401 122.223 119.600 0.370 0.000 2.255 575 M HA 0.382 4.861 4.480 -0.001 0.000 0.336 575 M C -0.520 175.950 176.300 0.284 0.000 1.135 575 M CA 0.185 55.660 55.300 0.293 0.000 1.145 575 M CB 1.050 33.789 32.600 0.232 0.000 1.473 575 M HN 0.964 nan 8.290 nan 0.000 0.462 576 N N -1.035 117.809 118.700 0.239 0.000 3.308 576 N HA 0.182 4.921 4.740 -0.001 0.000 0.276 576 N C -1.428 174.187 175.510 0.176 0.000 1.533 576 N CA -0.430 52.727 53.050 0.178 0.000 0.878 576 N CB 1.076 39.710 38.487 0.246 0.000 1.566 576 N HN 0.607 nan 8.380 nan 0.000 0.546 577 T N 0.557 115.196 114.554 0.142 0.000 2.902 577 T HA 0.196 4.545 4.350 -0.001 0.000 0.301 577 T C 0.141 174.926 174.700 0.140 0.000 1.012 577 T CA 0.022 62.208 62.100 0.143 0.000 1.151 577 T CB -0.771 68.160 68.868 0.105 0.000 0.946 577 T HN 0.443 nan 8.240 nan 0.000 0.542 578 c N 5.607 124.296 118.600 0.147 0.000 2.634 578 c HA 0.199 4.768 4.570 -0.001 0.000 0.417 578 c C 1.116 175.254 174.090 0.079 0.000 1.334 578 c CA -0.142 56.264 56.329 0.128 0.000 1.829 578 c CB -1.224 41.346 42.510 0.100 0.000 2.665 578 c HN 0.998 nan 8.230 nan 0.000 0.614 579 N N 2.415 121.158 118.700 0.072 0.000 2.751 579 N HA 0.192 4.931 4.740 -0.001 0.000 0.238 579 N C -2.156 173.371 175.510 0.028 0.000 1.351 579 N CA -0.895 52.181 53.050 0.043 0.000 0.751 579 N CB 1.077 39.592 38.487 0.045 0.000 1.342 579 N HN 0.316 nan 8.380 nan 0.000 0.540 580 P HA -0.188 nan 4.420 nan 0.000 0.217 580 P C 0.291 177.587 177.300 -0.006 0.000 1.162 580 P CA 1.337 64.437 63.100 -0.000 0.000 0.901 580 P CB 0.100 31.790 31.700 -0.016 0.000 0.793 581 S N -1.630 114.065 115.700 -0.008 0.000 4.087 581 S HA 0.441 4.910 4.470 -0.001 0.000 0.213 581 S C 0.231 174.823 174.600 -0.014 0.000 1.415 581 S CA -0.374 57.818 58.200 -0.014 0.000 0.893 581 S CB -0.463 62.730 63.200 -0.013 0.000 1.529 581 S HN 0.059 nan 8.310 nan 0.000 0.457 582 S N 1.524 117.212 115.700 -0.021 0.000 3.359 582 S HA 0.742 5.211 4.470 -0.001 0.000 0.323 582 S C 0.154 174.717 174.600 -0.061 0.000 1.143 582 S CA -0.246 57.936 58.200 -0.030 0.000 0.989 582 S CB 0.501 63.693 63.200 -0.015 0.000 1.375 582 S HN 0.938 nan 8.310 nan 0.000 0.728 583 L N -1.531 119.637 121.223 -0.092 0.000 2.824 583 L HA 0.387 4.727 4.340 -0.001 0.000 0.284 583 L C 1.517 178.236 176.870 -0.252 0.000 1.031 583 L CA 0.445 55.194 54.840 -0.152 0.000 1.226 583 L CB -0.480 41.502 42.059 -0.129 0.000 2.283 583 L HN 0.630 nan 8.230 nan 0.000 0.569 584 T N -2.546 111.885 114.554 -0.206 0.000 3.163 584 T HA 0.082 4.432 4.350 -0.001 0.000 0.260 584 T C 1.172 175.699 174.700 -0.288 0.000 1.156 584 T CA 1.054 62.994 62.100 -0.268 0.000 1.072 584 T CB -0.197 68.582 68.868 -0.148 0.000 0.937 584 T HN 0.613 nan 8.240 nan 0.000 0.528 585 Q N -0.318 119.354 119.800 -0.214 0.000 2.140 585 Q HA 0.249 4.588 4.340 -0.001 0.000 0.227 585 Q C 0.203 176.172 176.000 -0.051 0.000 0.798 585 Q CA -0.222 55.576 55.803 -0.009 0.000 0.987 585 Q CB 0.918 29.725 28.738 0.115 0.000 1.161 585 Q HN 0.518 nan 8.270 nan 0.000 0.480 586 Q N 0.567 120.175 119.800 -0.319 0.000 2.340 586 Q HA 0.259 4.599 4.340 -0.001 0.000 0.259 586 Q C -1.643 174.139 176.000 -0.363 0.000 0.964 586 Q CA -0.400 55.298 55.803 -0.175 0.000 0.900 586 Q CB 0.694 29.354 28.738 -0.130 0.000 1.228 586 Q HN 0.065 nan 8.270 nan 0.000 0.449 587 W N 3.752 125.111 121.300 0.098 0.000 2.719 587 W HA 0.626 5.285 4.660 -0.001 0.000 0.352 587 W C -1.013 175.629 176.519 0.205 0.000 1.085 587 W CA -0.758 56.640 57.345 0.088 0.000 1.187 587 W CB 1.211 30.694 29.460 0.038 0.000 1.417 587 W HN 0.505 nan 8.180 nan 0.000 0.557 588 L N 2.412 123.835 121.223 0.335 0.000 2.482 588 L HA 0.536 4.875 4.340 -0.001 0.000 0.269 588 L C -1.292 175.664 176.870 0.142 0.000 0.967 588 L CA -0.542 54.476 54.840 0.297 0.000 0.851 588 L CB 0.633 42.785 42.059 0.156 0.000 1.242 588 L HN 0.285 nan 8.230 nan 0.000 0.404 589 F N 2.209 122.128 119.950 -0.051 0.000 2.399 589 F HA 0.200 4.726 4.527 -0.002 0.000 0.313 589 F C 1.624 177.298 175.800 -0.210 0.000 1.202 589 F CA 0.282 58.175 58.000 -0.178 0.000 1.192 589 F CB 0.807 39.636 39.000 -0.284 0.000 1.256 589 F HN 0.636 nan 8.300 nan 0.000 0.558 590 E N -0.730 119.354 120.200 -0.194 0.000 2.086 590 E HA -0.053 4.296 4.350 -0.001 0.000 0.190 590 E C -0.294 175.885 176.600 -0.703 0.000 0.975 590 E CA 0.663 56.760 56.400 -0.505 0.000 0.813 590 E CB 0.224 29.470 29.700 -0.756 0.000 0.768 590 E HN 0.423 nan 8.360 nan 0.000 0.457 591 H N -0.849 117.946 119.070 -0.457 0.000 2.821 591 H HA 0.372 4.927 4.556 -0.002 0.000 0.373 591 H C -0.235 174.741 175.328 -0.586 0.000 1.165 591 H CA -0.264 55.347 56.048 -0.727 0.000 1.154 591 H CB 1.710 30.520 29.762 -1.586 0.000 1.765 591 H HN 0.116 nan 8.280 nan 0.000 0.549 592 T N -1.121 113.321 114.554 -0.188 0.000 2.762 592 T HA 0.356 4.705 4.350 -0.001 0.000 0.301 592 T C -0.862 173.932 174.700 0.157 0.000 1.299 592 T CA -1.043 61.073 62.100 0.026 0.000 1.005 592 T CB 2.264 71.174 68.868 0.071 0.000 1.377 592 T HN 0.451 nan 8.240 nan 0.000 0.504 593 N N -0.249 118.569 118.700 0.198 0.000 2.707 593 N HA 0.350 5.089 4.740 -0.001 0.000 0.249 593 N C 0.833 176.431 175.510 0.146 0.000 1.299 593 N CA -0.258 52.903 53.050 0.183 0.000 0.769 593 N CB 0.728 39.346 38.487 0.219 0.000 1.236 593 N HN 0.566 nan 8.380 nan 0.000 0.524 594 S N -0.063 115.708 115.700 0.118 0.000 2.413 594 S HA -0.203 4.267 4.470 -0.001 0.000 0.237 594 S C 1.498 176.156 174.600 0.097 0.000 1.044 594 S CA 2.181 60.442 58.200 0.100 0.000 1.024 594 S CB -0.274 62.970 63.200 0.073 0.000 0.829 594 S HN 0.686 nan 8.310 nan 0.000 0.475 595 T N 1.466 116.075 114.554 0.091 0.000 2.849 595 T HA -0.062 4.287 4.350 -0.001 0.000 0.270 595 T C 1.782 176.536 174.700 0.090 0.000 1.066 595 T CA 1.320 63.467 62.100 0.078 0.000 1.130 595 T CB -0.292 68.616 68.868 0.067 0.000 0.864 595 T HN 0.320 nan 8.240 nan 0.000 0.481 596 V N 0.646 120.628 119.914 0.113 0.000 2.599 596 V HA 0.112 4.231 4.120 -0.001 0.000 0.245 596 V C 2.340 178.527 176.094 0.154 0.000 1.046 596 V CA 0.758 63.134 62.300 0.125 0.000 1.065 596 V CB -0.505 31.400 31.823 0.137 0.000 0.703 596 V HN 0.395 nan 8.190 nan 0.000 0.464 597 L N 0.955 122.280 121.223 0.169 0.000 2.093 597 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 597 L C 2.593 179.553 176.870 0.150 0.000 1.085 597 L CA 1.830 56.786 54.840 0.194 0.000 0.755 597 L CB -0.643 41.526 42.059 0.183 0.000 0.904 597 L HN 0.532 nan 8.230 nan 0.000 0.435 598 E N -0.090 120.180 120.200 0.116 0.000 2.472 598 E HA -0.188 4.162 4.350 -0.001 0.000 0.200 598 E C 1.656 178.322 176.600 0.110 0.000 1.046 598 E CA 0.526 56.983 56.400 0.095 0.000 0.871 598 E CB 0.099 29.842 29.700 0.072 0.000 0.806 598 E HN 0.334 nan 8.360 nan 0.000 0.533 599 K N 1.093 121.574 120.400 0.135 0.000 2.051 599 K HA 0.087 4.406 4.320 -0.001 0.000 0.212 599 K C 0.299 177.043 176.600 0.240 0.000 1.032 599 K CA 0.429 56.807 56.287 0.151 0.000 0.982 599 K CB -0.340 32.242 32.500 0.136 0.000 1.002 599 K HN 0.158 nan 8.250 nan 0.000 0.452 600 F N 2.422 122.410 119.950 0.064 0.000 2.626 600 F HA -0.020 4.506 4.527 -0.002 0.000 0.374 600 F C 0.639 176.503 175.800 0.106 0.000 1.184 600 F CA -0.284 57.758 58.000 0.070 0.000 1.339 600 F CB -0.124 38.908 39.000 0.052 0.000 1.730 600 F HN 0.392 nan 8.300 nan 0.000 0.650 601 N N 2.204 121.014 118.700 0.183 0.000 2.266 601 N HA -0.014 4.725 4.740 -0.001 0.000 0.217 601 N C 0.045 175.597 175.510 0.070 0.000 1.211 601 N CA -0.307 52.783 53.050 0.068 0.000 0.881 601 N CB 0.182 38.721 38.487 0.086 0.000 1.153 601 N HN 0.334 nan 8.380 nan 0.000 0.489 602 R N 1.714 122.296 120.500 0.137 0.000 2.536 602 R HA 0.329 4.668 4.340 -0.001 0.000 0.279 602 R C -0.060 176.339 176.300 0.164 0.000 1.001 602 R CA -0.579 55.593 56.100 0.120 0.000 1.027 602 R CB 0.502 30.864 30.300 0.103 0.000 1.096 602 R HN 0.082 nan 8.270 nan 0.000 0.502 603 N N 0.000 118.771 118.700 0.118 0.000 1.763 603 N HA 0.000 4.739 4.740 -0.001 0.000 0.220 603 N CA 0.000 53.126 53.050 0.127 0.000 0.885 603 N CB 0.000 38.537 38.487 0.083 0.000 1.341 603 N HN 0.000 nan 8.380 nan 0.000 0.667