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 1iw7_1_P DATA FIRST_RESID 74 DATA SEQUENCE KISTSDPVRQ YLHEIGQVPL LTLEEEVELA RKVEEGMEAI KKLSEITGLD DATA SEQUENCE PDLIREVVRA KILGSARVRH IPGLKETLDP KTVEEIDQKL KSLPKEHKRY DATA SEQUENCE LHIAREGEAA RQHLIEANLR LVVSIAKKYT GRGLSFLDLI QEGNQGLIRA DATA SEQUENCE VEKFEYKRRF KFSTYATWWI RQAINRAIAD QARTIRIPVH MVETINKLSR DATA SEQUENCE TARQLQQELG REPTYEEIAE AMGPGWDAKR VEETLKIAQE PVSLETPIGD DATA SEQUENCE EKDSFYGDFI PDEHLPSPVD AATQSLLSEE LEKALSKLSE REAMVLKLRK DATA SEQUENCE GLIDGXXXXX EEVGAFFGVT RERIRQIENK ALRKLKYHES RTRKLRDFLD 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 74 K HA 0.000 nan 4.320 nan 0.000 0.191 74 K C 0.000 176.598 176.600 -0.004 0.000 0.988 74 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 74 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 75 I N 3.248 123.819 120.570 0.002 0.000 3.417 75 I HA -0.293 3.877 4.170 -0.000 0.000 0.317 75 I C 1.939 178.063 176.117 0.012 0.000 1.257 75 I CA 0.846 62.151 61.300 0.008 0.000 1.379 75 I CB -0.374 37.632 38.000 0.009 0.000 1.419 75 I HN 0.840 nan 8.210 nan 0.000 0.507 76 S N 4.281 119.991 115.700 0.016 0.000 2.429 76 S HA -0.360 4.110 4.470 -0.000 0.000 0.263 76 S C 1.844 176.468 174.600 0.039 0.000 1.084 76 S CA 2.330 60.542 58.200 0.020 0.000 1.284 76 S CB -1.174 62.046 63.200 0.032 0.000 1.192 76 S HN 0.751 nan 8.310 nan 0.000 0.436 77 T N 3.081 117.685 114.554 0.083 0.000 2.602 77 T HA -0.269 4.081 4.350 -0.000 0.000 0.264 77 T C 2.240 177.000 174.700 0.100 0.000 1.085 77 T CA 2.716 64.901 62.100 0.143 0.000 1.164 77 T CB -1.694 67.262 68.868 0.147 0.000 0.860 77 T HN 0.822 nan 8.240 nan 0.000 0.442 78 S N 1.904 117.640 115.700 0.060 0.000 2.370 78 S HA -0.225 4.245 4.470 -0.000 0.000 0.226 78 S C 1.913 176.516 174.600 0.006 0.000 1.033 78 S CA 1.450 59.675 58.200 0.042 0.000 1.011 78 S CB -0.743 62.474 63.200 0.027 0.000 0.852 78 S HN 0.655 nan 8.310 nan 0.000 0.457 79 D N 2.716 123.104 120.400 -0.021 0.000 2.087 79 D HA -0.071 4.569 4.640 -0.000 0.000 0.192 79 D C -0.813 175.407 176.300 -0.133 0.000 0.993 79 D CA 1.437 55.396 54.000 -0.068 0.000 0.828 79 D CB -1.264 39.497 40.800 -0.064 0.000 0.968 79 D HN 0.212 nan 8.370 nan 0.000 0.448 80 P HA -0.128 nan 4.420 nan 0.000 0.213 80 P C 2.034 179.033 177.300 -0.502 0.000 1.170 80 P CA 1.003 63.854 63.100 -0.415 0.000 0.902 80 P CB -0.095 31.440 31.700 -0.275 0.000 0.789 81 V N -0.197 119.668 119.914 -0.082 0.000 2.278 81 V HA -0.306 3.814 4.120 -0.000 0.000 0.251 81 V C 2.579 178.735 176.094 0.104 0.000 1.062 81 V CA 2.002 64.399 62.300 0.161 0.000 1.038 81 V CB -0.982 30.962 31.823 0.202 0.000 0.646 81 V HN 0.091 nan 8.190 nan 0.000 0.447 82 R N -0.950 119.571 120.500 0.036 0.000 2.081 82 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 82 R C 2.506 178.831 176.300 0.041 0.000 1.131 82 R CA 1.591 57.739 56.100 0.081 0.000 0.960 82 R CB -0.235 30.079 30.300 0.023 0.000 0.856 82 R HN 0.630 nan 8.270 nan 0.000 0.436 83 Q N -0.428 119.295 119.800 -0.129 0.000 1.948 83 Q HA -0.221 4.119 4.340 -0.000 0.000 0.205 83 Q C 2.046 178.035 176.000 -0.017 0.000 0.992 83 Q CA 2.219 57.926 55.803 -0.160 0.000 0.849 83 Q CB -0.363 28.194 28.738 -0.302 0.000 0.918 83 Q HN 0.506 nan 8.270 nan 0.000 0.421 84 Y N -0.218 120.113 120.300 0.053 0.000 2.373 84 Y HA -0.012 4.538 4.550 -0.000 0.000 0.293 84 Y C 1.980 177.924 175.900 0.074 0.000 1.129 84 Y CA 0.322 58.455 58.100 0.054 0.000 1.226 84 Y CB -0.847 37.631 38.460 0.031 0.000 1.000 84 Y HN 0.022 nan 8.280 nan 0.000 0.549 85 L N -0.418 121.012 121.223 0.345 0.000 2.217 85 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 85 L C 2.636 179.606 176.870 0.167 0.000 1.107 85 L CA 1.196 56.169 54.840 0.222 0.000 0.783 85 L CB -0.609 41.566 42.059 0.193 0.000 0.919 85 L HN 0.427 nan 8.230 nan 0.000 0.442 86 H N 0.512 119.628 119.070 0.077 0.000 2.357 86 H HA -0.140 4.416 4.556 -0.000 0.000 0.301 86 H C 1.935 177.291 175.328 0.047 0.000 1.082 86 H CA 1.768 57.843 56.048 0.046 0.000 1.342 86 H CB 0.423 30.200 29.762 0.024 0.000 1.389 86 H HN 0.475 nan 8.280 nan 0.000 0.511 87 E N 0.029 120.342 120.200 0.189 0.000 2.152 87 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 87 E C 2.216 178.868 176.600 0.086 0.000 0.983 87 E CA 0.607 57.082 56.400 0.125 0.000 0.818 87 E CB 0.100 29.874 29.700 0.125 0.000 0.758 87 E HN 0.356 nan 8.360 nan 0.000 0.467 88 I N 1.396 122.021 120.570 0.092 0.000 2.315 88 I HA -0.144 4.026 4.170 -0.000 0.000 0.248 88 I C 2.488 178.623 176.117 0.030 0.000 1.117 88 I CA 1.273 62.608 61.300 0.057 0.000 1.404 88 I CB -0.424 37.612 38.000 0.060 0.000 1.071 88 I HN 0.130 nan 8.210 nan 0.000 0.419 89 G N -0.756 108.056 108.800 0.019 0.000 2.442 89 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.219 89 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.219 89 G C 1.642 176.527 174.900 -0.025 0.000 1.141 89 G CA 0.640 45.726 45.100 -0.023 0.000 0.763 89 G HN 0.400 nan 8.290 nan 0.000 0.554 90 Q N -0.757 119.037 119.800 -0.009 0.000 2.408 90 Q HA 0.207 4.547 4.340 -0.000 0.000 0.205 90 Q C -0.097 175.905 176.000 0.004 0.000 0.919 90 Q CA 0.224 56.025 55.803 -0.003 0.000 0.932 90 Q CB 0.511 29.257 28.738 0.015 0.000 1.058 90 Q HN 0.332 nan 8.270 nan 0.000 0.517 91 V N -0.234 119.686 119.914 0.011 0.000 2.850 91 V HA 0.366 4.486 4.120 -0.000 0.000 0.284 91 V C -2.712 173.385 176.094 0.004 0.000 0.940 91 V CA -1.594 60.708 62.300 0.004 0.000 1.131 91 V CB 0.325 32.153 31.823 0.009 0.000 1.024 91 V HN 0.005 nan 8.190 nan 0.000 0.513 92 P HA 0.477 nan 4.420 nan 0.000 0.279 92 P C -0.357 176.938 177.300 -0.009 0.000 1.282 92 P CA -0.382 62.720 63.100 0.003 0.000 0.788 92 P CB 0.957 32.661 31.700 0.008 0.000 1.139 93 L N 0.634 121.851 121.223 -0.011 0.000 2.325 93 L HA 0.321 4.661 4.340 -0.000 0.000 0.279 93 L C 0.520 177.385 176.870 -0.008 0.000 1.054 93 L CA -1.101 53.725 54.840 -0.023 0.000 0.804 93 L CB 0.622 42.655 42.059 -0.044 0.000 1.200 93 L HN 0.276 nan 8.230 nan 0.000 0.436 94 L N 2.430 123.647 121.223 -0.010 0.000 2.490 94 L HA -0.012 4.328 4.340 -0.000 0.000 0.274 94 L C 1.333 178.213 176.870 0.017 0.000 1.201 94 L CA 0.599 55.441 54.840 0.004 0.000 0.869 94 L CB 1.278 43.337 42.059 0.001 0.000 1.123 94 L HN 0.802 nan 8.230 nan 0.000 0.484 95 T N 5.447 120.019 114.554 0.029 0.000 2.635 95 T HA -0.262 4.088 4.350 -0.000 0.000 0.265 95 T C 1.591 176.324 174.700 0.056 0.000 1.058 95 T CA 2.290 64.418 62.100 0.047 0.000 1.162 95 T CB -0.090 68.808 68.868 0.049 0.000 0.859 95 T HN 0.620 nan 8.240 nan 0.000 0.449 96 L N -0.578 120.673 121.223 0.048 0.000 2.864 96 L HA 0.209 4.549 4.340 -0.000 0.000 0.177 96 L C 2.535 179.430 176.870 0.042 0.000 1.341 96 L CA -0.206 54.668 54.840 0.057 0.000 0.892 96 L CB -0.717 41.375 42.059 0.055 0.000 1.290 96 L HN -0.114 nan 8.230 nan 0.000 0.545 97 E N 1.389 121.606 120.200 0.029 0.000 2.257 97 E HA -0.322 4.028 4.350 -0.000 0.000 0.229 97 E C 1.756 178.356 176.600 -0.001 0.000 1.089 97 E CA 2.282 58.691 56.400 0.015 0.000 0.947 97 E CB -0.535 29.169 29.700 0.005 0.000 0.808 97 E HN 0.583 nan 8.360 nan 0.000 0.471 98 E N -0.187 120.007 120.200 -0.010 0.000 2.318 98 E HA -0.012 4.338 4.350 -0.000 0.000 0.193 98 E C 1.970 178.542 176.600 -0.047 0.000 0.998 98 E CA 0.186 56.565 56.400 -0.035 0.000 0.859 98 E CB 0.052 29.727 29.700 -0.041 0.000 0.812 98 E HN 0.381 nan 8.360 nan 0.000 0.492 99 E N 0.566 120.752 120.200 -0.024 0.000 2.122 99 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 99 E C 2.121 178.727 176.600 0.010 0.000 0.977 99 E CA 0.581 56.956 56.400 -0.043 0.000 0.820 99 E CB 0.324 30.020 29.700 -0.006 0.000 0.770 99 E HN 0.025 nan 8.360 nan 0.000 0.462 100 V N 1.542 121.489 119.914 0.056 0.000 2.323 100 V HA -0.239 3.881 4.120 -0.000 0.000 0.244 100 V C 2.365 178.445 176.094 -0.024 0.000 1.041 100 V CA 1.892 64.246 62.300 0.090 0.000 1.025 100 V CB -0.469 31.424 31.823 0.117 0.000 0.656 100 V HN 0.284 nan 8.190 nan 0.000 0.451 101 E N 0.531 120.710 120.200 -0.034 0.000 2.035 101 E HA -0.268 4.082 4.350 -0.000 0.000 0.204 101 E C 2.186 178.720 176.600 -0.109 0.000 1.025 101 E CA 2.125 58.485 56.400 -0.066 0.000 0.835 101 E CB -0.243 29.426 29.700 -0.051 0.000 0.764 101 E HN 0.558 nan 8.360 nan 0.000 0.457 102 L N 0.344 121.506 121.223 -0.101 0.000 2.093 102 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 102 L C 2.744 179.531 176.870 -0.139 0.000 1.085 102 L CA 0.892 55.666 54.840 -0.110 0.000 0.755 102 L CB -0.568 41.424 42.059 -0.113 0.000 0.904 102 L HN 0.262 nan 8.230 nan 0.000 0.435 103 A N 0.495 123.232 122.820 -0.138 0.000 1.851 103 A HA -0.272 4.048 4.320 -0.000 0.000 0.216 103 A C 2.481 179.830 177.584 -0.393 0.000 1.195 103 A CA 1.986 53.954 52.037 -0.115 0.000 0.622 103 A CB -0.721 18.354 19.000 0.125 0.000 0.831 103 A HN 0.368 nan 8.150 nan 0.000 0.444 104 R N 0.064 120.127 120.500 -0.728 0.000 2.117 104 R HA -0.195 4.145 4.340 -0.000 0.000 0.243 104 R C 1.936 178.011 176.300 -0.375 0.000 1.143 104 R CA 2.016 57.543 56.100 -0.954 0.000 0.968 104 R CB -0.270 29.647 30.300 -0.638 0.000 0.863 104 R HN 0.581 nan 8.270 nan 0.000 0.444 105 K N -0.195 120.071 120.400 -0.224 0.000 2.116 105 K HA -0.023 4.297 4.320 -0.000 0.000 0.203 105 K C 2.087 178.642 176.600 -0.075 0.000 1.052 105 K CA 1.132 57.355 56.287 -0.107 0.000 0.952 105 K CB 0.063 32.521 32.500 -0.070 0.000 0.729 105 K HN 0.020 nan 8.250 nan 0.000 0.446 106 V N 1.795 121.655 119.914 -0.090 0.000 2.287 106 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 106 V C 2.259 178.342 176.094 -0.019 0.000 1.053 106 V CA 1.908 64.182 62.300 -0.043 0.000 1.027 106 V CB -0.397 31.408 31.823 -0.029 0.000 0.646 106 V HN 0.364 nan 8.190 nan 0.000 0.447 107 E N -0.180 119.998 120.200 -0.037 0.000 2.051 107 E HA -0.265 4.085 4.350 -0.000 0.000 0.192 107 E C 2.214 178.837 176.600 0.038 0.000 0.991 107 E CA 1.297 57.711 56.400 0.024 0.000 0.799 107 E CB -0.088 29.660 29.700 0.081 0.000 0.748 107 E HN 0.512 nan 8.360 nan 0.000 0.449 108 E N -0.405 119.808 120.200 0.022 0.000 2.267 108 E HA -0.112 4.238 4.350 -0.000 0.000 0.197 108 E C 1.636 178.279 176.600 0.073 0.000 0.998 108 E CA 1.114 57.552 56.400 0.064 0.000 0.830 108 E CB -0.430 29.303 29.700 0.056 0.000 0.751 108 E HN 0.374 nan 8.360 nan 0.000 0.491 109 G N 0.462 109.287 108.800 0.041 0.000 2.404 109 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.215 109 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.215 109 G C 1.545 176.468 174.900 0.038 0.000 1.174 109 G CA 0.858 45.983 45.100 0.042 0.000 0.780 109 G HN 0.295 nan 8.290 nan 0.000 0.537 110 M N 0.465 120.083 119.600 0.030 0.000 2.066 110 M HA -0.073 4.407 4.480 -0.000 0.000 0.259 110 M C 2.474 178.783 176.300 0.014 0.000 1.074 110 M CA 2.034 57.347 55.300 0.022 0.000 1.114 110 M CB -0.444 32.173 32.600 0.028 0.000 1.306 110 M HN 0.294 nan 8.290 nan 0.000 0.411 111 E N 0.160 120.377 120.200 0.028 0.000 2.171 111 E HA -0.216 4.134 4.350 -0.000 0.000 0.197 111 E C 1.886 178.468 176.600 -0.030 0.000 0.997 111 E CA 1.440 57.847 56.400 0.012 0.000 0.810 111 E CB -0.214 29.520 29.700 0.056 0.000 0.738 111 E HN 0.679 nan 8.360 nan 0.000 0.467 112 A N 0.802 123.647 122.820 0.043 0.000 1.872 112 A HA -0.113 4.207 4.320 -0.000 0.000 0.214 112 A C 2.128 179.691 177.584 -0.035 0.000 1.187 112 A CA 0.865 52.946 52.037 0.073 0.000 0.614 112 A CB -0.370 18.761 19.000 0.218 0.000 0.826 112 A HN 0.133 nan 8.150 nan 0.000 0.442 113 I N -0.768 119.796 120.570 -0.010 0.000 2.394 113 I HA -0.214 3.956 4.170 -0.000 0.000 0.251 113 I C 2.479 178.560 176.117 -0.059 0.000 1.136 113 I CA 1.260 62.546 61.300 -0.024 0.000 1.425 113 I CB -0.208 37.788 38.000 -0.006 0.000 1.079 113 I HN 0.293 nan 8.210 nan 0.000 0.425 114 K N 0.691 121.047 120.400 -0.073 0.000 2.057 114 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 114 K C 2.109 178.628 176.600 -0.136 0.000 1.050 114 K CA 0.958 57.195 56.287 -0.083 0.000 0.935 114 K CB 0.092 32.552 32.500 -0.066 0.000 0.715 114 K HN 0.055 nan 8.250 nan 0.000 0.439 115 K N 0.907 121.170 120.400 -0.229 0.000 2.211 115 K HA -0.072 4.248 4.320 -0.000 0.000 0.203 115 K C 2.031 178.464 176.600 -0.277 0.000 1.050 115 K CA 0.849 56.930 56.287 -0.343 0.000 0.945 115 K CB -0.128 31.936 32.500 -0.727 0.000 0.732 115 K HN 0.195 nan 8.250 nan 0.000 0.451 116 L N 1.125 122.232 121.223 -0.194 0.000 2.056 116 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 116 L C 2.316 179.134 176.870 -0.086 0.000 1.078 116 L CA 1.291 56.071 54.840 -0.100 0.000 0.749 116 L CB -0.437 41.599 42.059 -0.037 0.000 0.901 116 L HN 0.149 nan 8.230 nan 0.000 0.433 117 S N -0.989 114.663 115.700 -0.080 0.000 2.402 117 S HA -0.207 4.263 4.470 -0.000 0.000 0.229 117 S C 1.709 176.266 174.600 -0.073 0.000 1.021 117 S CA 0.930 59.093 58.200 -0.062 0.000 0.974 117 S CB -0.321 62.849 63.200 -0.050 0.000 0.800 117 S HN 0.397 nan 8.310 nan 0.000 0.484 118 E N 1.142 121.282 120.200 -0.099 0.000 2.033 118 E HA -0.154 4.196 4.350 -0.000 0.000 0.199 118 E C 1.806 178.342 176.600 -0.107 0.000 1.011 118 E CA 1.688 58.026 56.400 -0.104 0.000 0.815 118 E CB -0.274 29.344 29.700 -0.137 0.000 0.755 118 E HN 0.587 nan 8.360 nan 0.000 0.451 119 I N -0.017 120.468 120.570 -0.142 0.000 3.059 119 I HA -0.119 4.051 4.170 -0.000 0.000 0.270 119 I C 1.835 177.897 176.117 -0.093 0.000 1.238 119 I CA 0.785 61.992 61.300 -0.155 0.000 1.478 119 I CB 0.225 38.063 38.000 -0.269 0.000 1.097 119 I HN 0.032 nan 8.210 nan 0.000 0.455 120 T N -0.639 113.873 114.554 -0.069 0.000 3.015 120 T HA 0.236 4.586 4.350 -0.000 0.000 0.250 120 T C 1.654 176.334 174.700 -0.033 0.000 1.057 120 T CA 0.589 62.664 62.100 -0.041 0.000 1.066 120 T CB 0.555 69.404 68.868 -0.031 0.000 0.959 120 T HN 0.458 nan 8.240 nan 0.000 0.488 121 G N 1.380 110.157 108.800 -0.038 0.000 2.168 121 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.263 121 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.263 121 G C -0.033 174.853 174.900 -0.023 0.000 0.977 121 G CA 0.012 45.095 45.100 -0.029 0.000 0.659 121 G HN 0.460 nan 8.290 nan 0.000 0.533 122 L N 1.610 122.819 121.223 -0.025 0.000 2.375 122 L HA 0.419 4.759 4.340 -0.000 0.000 0.271 122 L C 0.546 177.404 176.870 -0.020 0.000 1.107 122 L CA -0.408 54.421 54.840 -0.019 0.000 0.806 122 L CB 0.753 42.802 42.059 -0.017 0.000 1.146 122 L HN 0.139 nan 8.230 nan 0.000 0.447 123 D N 4.616 125.007 120.400 -0.015 0.000 2.424 123 D HA 0.035 4.675 4.640 -0.000 0.000 0.244 123 D C -1.691 174.600 176.300 -0.014 0.000 1.134 123 D CA -0.888 53.104 54.000 -0.013 0.000 0.881 123 D CB 1.212 42.007 40.800 -0.008 0.000 1.191 123 D HN 0.360 nan 8.370 nan 0.000 0.445 124 P HA -0.174 nan 4.420 nan 0.000 0.220 124 P C 0.958 178.253 177.300 -0.009 0.000 1.144 124 P CA 1.039 64.131 63.100 -0.015 0.000 0.800 124 P CB 0.215 31.907 31.700 -0.014 0.000 0.772 125 D N -1.150 119.247 120.400 -0.006 0.000 2.149 125 D HA -0.105 4.535 4.640 -0.000 0.000 0.201 125 D C 1.838 178.136 176.300 -0.004 0.000 0.972 125 D CA 0.740 54.738 54.000 -0.003 0.000 0.835 125 D CB -0.829 39.970 40.800 -0.001 0.000 0.966 125 D HN 0.114 nan 8.370 nan 0.000 0.476 126 L N 0.976 122.196 121.223 -0.005 0.000 2.109 126 L HA -0.063 4.277 4.340 -0.000 0.000 0.207 126 L C 2.306 179.173 176.870 -0.006 0.000 1.086 126 L CA 0.895 55.732 54.840 -0.005 0.000 0.760 126 L CB -0.423 41.633 42.059 -0.006 0.000 0.910 126 L HN -0.042 nan 8.230 nan 0.000 0.437 127 I N -0.840 119.725 120.570 -0.009 0.000 2.286 127 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 127 I C 2.604 178.718 176.117 -0.006 0.000 1.115 127 I CA 1.134 62.428 61.300 -0.009 0.000 1.392 127 I CB -1.122 36.870 38.000 -0.013 0.000 1.065 127 I HN 0.307 nan 8.210 nan 0.000 0.418 128 R N 0.472 120.968 120.500 -0.005 0.000 2.090 128 R HA -0.106 4.234 4.340 -0.000 0.000 0.228 128 R C 2.115 178.412 176.300 -0.004 0.000 1.110 128 R CA 0.963 57.060 56.100 -0.004 0.000 0.973 128 R CB 0.140 30.438 30.300 -0.003 0.000 0.869 128 R HN 0.241 nan 8.270 nan 0.000 0.440 129 E N -0.329 119.869 120.200 -0.004 0.000 2.299 129 E HA -0.057 4.293 4.350 -0.000 0.000 0.193 129 E C 1.917 178.515 176.600 -0.003 0.000 0.998 129 E CA 0.553 56.950 56.400 -0.004 0.000 0.851 129 E CB 0.273 29.971 29.700 -0.003 0.000 0.795 129 E HN 0.142 nan 8.360 nan 0.000 0.492 130 V N 0.775 120.686 119.914 -0.004 0.000 2.323 130 V HA -0.185 3.935 4.120 -0.000 0.000 0.244 130 V C 2.488 178.579 176.094 -0.005 0.000 1.041 130 V CA 1.161 63.459 62.300 -0.004 0.000 1.025 130 V CB -0.403 31.418 31.823 -0.005 0.000 0.656 130 V HN 0.056 nan 8.190 nan 0.000 0.451 131 V N -0.101 119.809 119.914 -0.006 0.000 2.407 131 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 131 V C 2.557 178.648 176.094 -0.006 0.000 1.055 131 V CA 1.974 64.271 62.300 -0.005 0.000 1.049 131 V CB -0.824 30.997 31.823 -0.003 0.000 0.662 131 V HN 0.462 nan 8.190 nan 0.000 0.455 132 R N -0.024 120.471 120.500 -0.007 0.000 2.092 132 R HA -0.065 4.275 4.340 -0.000 0.000 0.231 132 R C 2.435 178.729 176.300 -0.010 0.000 1.119 132 R CA 1.362 57.455 56.100 -0.011 0.000 0.970 132 R CB -0.513 29.780 30.300 -0.012 0.000 0.864 132 R HN 0.533 nan 8.270 nan 0.000 0.440 133 A N 1.111 123.928 122.820 -0.005 0.000 1.930 133 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 133 A C 1.777 179.360 177.584 -0.002 0.000 1.175 133 A CA 1.220 53.256 52.037 -0.002 0.000 0.627 133 A CB -0.090 18.911 19.000 0.001 0.000 0.815 133 A HN 0.014 nan 8.150 nan 0.000 0.443 134 K N -0.526 119.872 120.400 -0.002 0.000 2.366 134 K HA 0.146 4.466 4.320 -0.000 0.000 0.198 134 K C 1.441 178.041 176.600 -0.000 0.000 1.044 134 K CA 0.488 56.775 56.287 0.000 0.000 0.973 134 K CB -0.034 32.466 32.500 0.000 0.000 0.767 134 K HN 0.493 nan 8.250 nan 0.000 0.475 135 I N 0.235 120.802 120.570 -0.006 0.000 2.947 135 I HA -0.094 4.076 4.170 -0.000 0.000 0.263 135 I C 1.866 177.970 176.117 -0.022 0.000 1.130 135 I CA 0.581 61.875 61.300 -0.011 0.000 1.448 135 I CB -0.520 37.471 38.000 -0.015 0.000 1.222 135 I HN -0.024 nan 8.210 nan 0.000 0.453 136 L N -0.250 120.959 121.223 -0.024 0.000 2.202 136 L HA 0.535 4.875 4.340 -0.000 0.000 0.205 136 L C 0.881 177.740 176.870 -0.020 0.000 1.083 136 L CA 0.783 55.605 54.840 -0.030 0.000 0.790 136 L CB -1.051 40.990 42.059 -0.031 0.000 0.942 136 L HN 0.118 nan 8.230 nan 0.000 0.452 137 G N -1.578 107.215 108.800 -0.011 0.000 2.451 137 G HA2 0.508 4.468 3.960 -0.000 0.000 0.292 137 G HA3 0.508 4.468 3.960 -0.000 0.000 0.292 137 G C -1.344 173.557 174.900 0.002 0.000 1.427 137 G CA -0.064 45.033 45.100 -0.005 0.000 0.792 137 G HN 0.091 nan 8.290 nan 0.000 0.498 138 S N -0.843 114.861 115.700 0.006 0.000 2.646 138 S HA 0.549 5.019 4.470 -0.000 0.000 0.273 138 S C 2.133 176.745 174.600 0.020 0.000 1.168 138 S CA 0.304 58.510 58.200 0.011 0.000 1.013 138 S CB 1.063 64.269 63.200 0.010 0.000 1.098 138 S HN 1.566 nan 8.310 nan 0.000 0.544 139 A N 1.322 124.155 122.820 0.022 0.000 1.971 139 A HA -0.263 4.057 4.320 -0.000 0.000 0.222 139 A C 2.088 179.712 177.584 0.067 0.000 1.182 139 A CA 2.304 54.362 52.037 0.037 0.000 0.649 139 A CB -1.017 17.995 19.000 0.021 0.000 0.818 139 A HN 0.841 nan 8.150 nan 0.000 0.458 140 R N -0.735 119.798 120.500 0.055 0.000 2.115 140 R HA -0.162 4.178 4.340 -0.000 0.000 0.239 140 R C 1.853 178.195 176.300 0.071 0.000 1.133 140 R CA 1.885 58.030 56.100 0.076 0.000 0.935 140 R CB -1.447 28.879 30.300 0.043 0.000 0.853 140 R HN 0.222 nan 8.270 nan 0.000 0.433 141 V N 1.417 121.353 119.914 0.035 0.000 2.219 141 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 141 V C 2.851 178.951 176.094 0.009 0.000 1.053 141 V CA 2.257 64.565 62.300 0.013 0.000 1.009 141 V CB -0.599 31.227 31.823 0.004 0.000 0.636 141 V HN 0.384 nan 8.190 nan 0.000 0.445 142 R N -1.197 119.316 120.500 0.023 0.000 2.091 142 R HA -0.203 4.137 4.340 -0.000 0.000 0.238 142 R C 2.409 178.722 176.300 0.022 0.000 1.136 142 R CA 1.866 57.978 56.100 0.020 0.000 0.959 142 R CB -0.590 29.728 30.300 0.031 0.000 0.856 142 R HN 0.734 nan 8.270 nan 0.000 0.437 143 H N 0.581 119.648 119.070 -0.004 0.000 2.326 143 H HA -0.060 4.496 4.556 -0.000 0.000 0.301 143 H C 1.981 177.307 175.328 -0.003 0.000 1.081 143 H CA 1.616 57.662 56.048 -0.003 0.000 1.334 143 H CB 0.040 29.800 29.762 -0.003 0.000 1.385 143 H HN 0.143 nan 8.280 nan 0.000 0.504 144 I N 0.766 121.102 120.570 -0.390 0.000 2.162 144 I HA -0.118 4.052 4.170 -0.000 0.000 0.238 144 I C -0.382 175.590 176.117 -0.241 0.000 1.076 144 I CA 0.393 61.449 61.300 -0.408 0.000 1.353 144 I CB -1.206 36.720 38.000 -0.124 0.000 1.063 144 I HN 0.280 nan 8.210 nan 0.000 0.408 145 P HA -0.122 nan 4.420 nan 0.000 0.207 145 P C 0.393 177.641 177.300 -0.087 0.000 0.993 145 P CA 0.920 63.970 63.100 -0.084 0.000 0.885 145 P CB -0.454 31.215 31.700 -0.051 0.000 0.600 146 G N -0.102 108.662 108.800 -0.061 0.000 2.313 146 G HA2 0.183 4.143 3.960 -0.000 0.000 0.250 146 G HA3 0.183 4.143 3.960 -0.000 0.000 0.250 146 G C 0.168 175.025 174.900 -0.072 0.000 1.281 146 G CA -0.283 44.787 45.100 -0.050 0.000 0.917 146 G HN 0.112 nan 8.290 nan 0.000 0.501 147 L N 1.504 122.685 121.223 -0.070 0.000 2.367 147 L HA 0.091 4.431 4.340 -0.000 0.000 0.215 147 L C 2.174 179.032 176.870 -0.019 0.000 1.197 147 L CA -0.238 54.553 54.840 -0.081 0.000 0.836 147 L CB 0.323 42.352 42.059 -0.050 0.000 1.242 147 L HN 0.481 nan 8.230 nan 0.000 0.553 148 K N 0.985 121.409 120.400 0.040 0.000 2.795 148 K HA -0.131 4.189 4.320 -0.000 0.000 0.223 148 K C 1.115 177.740 176.600 0.041 0.000 0.965 148 K CA 0.577 56.911 56.287 0.079 0.000 1.092 148 K CB -0.099 32.481 32.500 0.132 0.000 0.900 148 K HN 0.454 nan 8.250 nan 0.000 0.483 149 E N 0.773 120.986 120.200 0.022 0.000 2.038 149 E HA -0.110 4.240 4.350 -0.000 0.000 0.195 149 E C 0.080 176.691 176.600 0.017 0.000 1.000 149 E CA 1.341 57.751 56.400 0.016 0.000 0.803 149 E CB -0.235 29.470 29.700 0.008 0.000 0.750 149 E HN 0.557 nan 8.360 nan 0.000 0.448 150 T N -0.047 114.518 114.554 0.018 0.000 2.814 150 T HA 0.326 4.676 4.350 -0.000 0.000 0.297 150 T C 0.839 175.554 174.700 0.024 0.000 0.956 150 T CA -0.507 61.603 62.100 0.017 0.000 1.123 150 T CB 0.640 69.516 68.868 0.015 0.000 0.902 150 T HN -0.034 nan 8.240 nan 0.000 0.528 151 L N 3.383 124.617 121.223 0.018 0.000 2.514 151 L HA 0.042 4.382 4.340 -0.000 0.000 0.280 151 L C 1.382 178.264 176.870 0.020 0.000 1.223 151 L CA -0.467 54.383 54.840 0.018 0.000 0.864 151 L CB 0.212 42.276 42.059 0.010 0.000 1.118 151 L HN 0.756 nan 8.230 nan 0.000 0.494 152 D N 2.698 123.111 120.400 0.021 0.000 2.078 152 D HA -0.098 4.542 4.640 -0.000 0.000 0.193 152 D C -0.659 175.648 176.300 0.012 0.000 0.990 152 D CA 1.593 55.607 54.000 0.023 0.000 0.827 152 D CB -1.010 39.797 40.800 0.011 0.000 0.975 152 D HN 0.497 nan 8.370 nan 0.000 0.451 153 P HA 0.061 nan 4.420 nan 0.000 0.211 153 P C 1.393 178.695 177.300 0.002 0.000 1.150 153 P CA 0.674 63.775 63.100 0.002 0.000 0.896 153 P CB 0.247 31.945 31.700 -0.004 0.000 0.764 154 K N -0.213 120.188 120.400 0.001 0.000 2.059 154 K HA -0.113 4.207 4.320 -0.000 0.000 0.212 154 K C 2.149 178.751 176.600 0.003 0.000 1.050 154 K CA 2.136 58.424 56.287 0.002 0.000 0.927 154 K CB -1.409 31.091 32.500 0.001 0.000 0.714 154 K HN 0.036 nan 8.250 nan 0.000 0.447 155 T N -0.149 114.407 114.554 0.004 0.000 2.588 155 T HA -0.153 4.197 4.350 -0.000 0.000 0.261 155 T C 1.719 176.422 174.700 0.004 0.000 1.069 155 T CA 1.720 63.823 62.100 0.005 0.000 1.172 155 T CB -0.606 68.266 68.868 0.007 0.000 0.863 155 T HN 0.123 nan 8.240 nan 0.000 0.408 156 V N 1.567 121.484 119.914 0.005 0.000 2.568 156 V HA -0.178 3.942 4.120 -0.000 0.000 0.253 156 V C 2.303 178.398 176.094 0.002 0.000 1.072 156 V CA 1.950 64.252 62.300 0.003 0.000 1.084 156 V CB -0.552 31.274 31.823 0.005 0.000 0.676 156 V HN 0.517 nan 8.190 nan 0.000 0.469 157 E N -0.391 119.811 120.200 0.003 0.000 2.110 157 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 157 E C 2.150 178.751 176.600 0.002 0.000 0.988 157 E CA 1.608 58.010 56.400 0.002 0.000 0.804 157 E CB -0.072 29.630 29.700 0.003 0.000 0.745 157 E HN 0.752 nan 8.360 nan 0.000 0.458 158 E N 0.457 120.658 120.200 0.002 0.000 2.110 158 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 158 E C 2.080 178.681 176.600 0.001 0.000 0.988 158 E CA 0.801 57.202 56.400 0.002 0.000 0.804 158 E CB 0.001 29.703 29.700 0.002 0.000 0.745 158 E HN 0.265 nan 8.360 nan 0.000 0.458 159 I N 0.944 121.514 120.570 0.000 0.000 2.315 159 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 159 I C 2.244 178.359 176.117 -0.004 0.000 1.117 159 I CA 0.929 62.228 61.300 -0.002 0.000 1.404 159 I CB -0.224 37.774 38.000 -0.003 0.000 1.071 159 I HN 0.105 nan 8.210 nan 0.000 0.419 160 D N 0.541 120.939 120.400 -0.004 0.000 2.219 160 D HA -0.182 4.458 4.640 -0.000 0.000 0.205 160 D C 2.119 178.415 176.300 -0.007 0.000 0.970 160 D CA 1.090 55.085 54.000 -0.009 0.000 0.851 160 D CB 0.232 41.028 40.800 -0.007 0.000 0.943 160 D HN 0.403 nan 8.370 nan 0.000 0.488 161 Q N 0.296 120.096 119.800 -0.000 0.000 2.079 161 Q HA -0.074 4.266 4.340 -0.000 0.000 0.200 161 Q C 2.096 178.100 176.000 0.008 0.000 0.974 161 Q CA 1.048 56.853 55.803 0.004 0.000 0.840 161 Q CB 0.247 28.989 28.738 0.006 0.000 0.898 161 Q HN 0.108 nan 8.270 nan 0.000 0.430 162 K N 0.017 120.421 120.400 0.007 0.000 2.148 162 K HA -0.091 4.229 4.320 -0.000 0.000 0.204 162 K C 1.942 178.553 176.600 0.018 0.000 1.050 162 K CA 0.726 57.021 56.287 0.013 0.000 0.942 162 K CB -0.018 32.487 32.500 0.009 0.000 0.724 162 K HN 0.216 nan 8.250 nan 0.000 0.446 163 L N 1.074 122.299 121.223 0.004 0.000 2.079 163 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 163 L C 2.103 178.965 176.870 -0.013 0.000 1.081 163 L CA 1.526 56.362 54.840 -0.007 0.000 0.752 163 L CB -0.252 41.786 42.059 -0.036 0.000 0.896 163 L HN 0.160 nan 8.230 nan 0.000 0.433 164 K N -0.240 120.155 120.400 -0.008 0.000 2.031 164 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 164 K C 2.205 178.823 176.600 0.029 0.000 1.049 164 K CA 1.588 57.879 56.287 0.006 0.000 0.939 164 K CB -0.332 32.177 32.500 0.014 0.000 0.717 164 K HN 0.311 nan 8.250 nan 0.000 0.438 165 S N 1.601 117.321 115.700 0.032 0.000 2.440 165 S HA -0.094 4.376 4.470 -0.000 0.000 0.238 165 S C 0.924 175.565 174.600 0.068 0.000 1.010 165 S CA 0.441 58.666 58.200 0.043 0.000 0.972 165 S CB -0.718 62.505 63.200 0.038 0.000 0.774 165 S HN 0.149 nan 8.310 nan 0.000 0.501 166 L N 2.957 124.234 121.223 0.090 0.000 2.597 166 L HA 0.193 4.533 4.340 -0.000 0.000 0.271 166 L C -1.945 174.972 176.870 0.078 0.000 1.157 166 L CA -1.613 53.328 54.840 0.169 0.000 0.928 166 L CB -0.314 41.876 42.059 0.219 0.000 1.216 166 L HN 0.102 nan 8.230 nan 0.000 0.481 167 P HA -0.081 nan 4.420 nan 0.000 0.277 167 P C 0.733 177.961 177.300 -0.120 0.000 1.269 167 P CA -0.191 62.868 63.100 -0.067 0.000 0.840 167 P CB 0.419 32.062 31.700 -0.094 0.000 1.156 168 K N 0.288 120.622 120.400 -0.109 0.000 2.077 168 K HA -0.250 4.070 4.320 -0.000 0.000 0.213 168 K C 1.657 178.161 176.600 -0.159 0.000 1.051 168 K CA 2.181 58.407 56.287 -0.101 0.000 0.929 168 K CB -0.935 31.512 32.500 -0.087 0.000 0.715 168 K HN 0.458 nan 8.250 nan 0.000 0.451 169 E N 0.439 120.475 120.200 -0.274 0.000 2.023 169 E HA -0.166 4.184 4.350 -0.000 0.000 0.196 169 E C 2.007 178.472 176.600 -0.224 0.000 1.003 169 E CA 1.581 57.797 56.400 -0.306 0.000 0.809 169 E CB -0.566 28.871 29.700 -0.439 0.000 0.755 169 E HN 0.521 nan 8.360 nan 0.000 0.449 170 H N -0.353 118.780 119.070 0.105 0.000 2.562 170 H HA 0.262 4.818 4.556 -0.000 0.000 0.267 170 H C 1.638 177.054 175.328 0.146 0.000 0.959 170 H CA 0.805 57.014 56.048 0.267 0.000 1.204 170 H CB 0.036 29.944 29.762 0.243 0.000 1.430 170 H HN 0.054 nan 8.280 nan 0.000 0.545 171 K N 1.986 122.440 120.400 0.090 0.000 2.097 171 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 171 K C 2.369 179.013 176.600 0.073 0.000 1.049 171 K CA 0.745 57.068 56.287 0.060 0.000 0.933 171 K CB 0.145 32.709 32.500 0.108 0.000 0.717 171 K HN 0.041 nan 8.250 nan 0.000 0.442 172 R N -0.620 119.891 120.500 0.018 0.000 2.113 172 R HA -0.236 4.104 4.340 -0.000 0.000 0.244 172 R C 1.993 178.232 176.300 -0.100 0.000 1.142 172 R CA 2.298 58.354 56.100 -0.074 0.000 0.953 172 R CB -0.519 29.580 30.300 -0.335 0.000 0.860 172 R HN 0.379 nan 8.270 nan 0.000 0.438 173 Y N 0.482 120.827 120.300 0.075 0.000 2.181 173 Y HA -0.253 4.297 4.550 -0.000 0.000 0.288 173 Y C 2.418 178.321 175.900 0.005 0.000 1.146 173 Y CA 1.198 59.326 58.100 0.046 0.000 1.164 173 Y CB -0.275 38.216 38.460 0.051 0.000 0.982 173 Y HN 0.162 nan 8.280 nan 0.000 0.515 174 L N -0.240 121.034 121.223 0.085 0.000 1.989 174 L HA -0.296 4.044 4.340 -0.000 0.000 0.211 174 L C 2.360 179.169 176.870 -0.100 0.000 1.071 174 L CA 1.865 56.665 54.840 -0.067 0.000 0.749 174 L CB -0.563 41.361 42.059 -0.225 0.000 0.890 174 L HN 0.403 nan 8.230 nan 0.000 0.431 175 H N -0.124 118.965 119.070 0.031 0.000 2.456 175 H HA -0.134 4.422 4.556 -0.000 0.000 0.296 175 H C 2.312 177.647 175.328 0.012 0.000 1.079 175 H CA 1.796 57.850 56.048 0.010 0.000 1.322 175 H CB -0.059 29.695 29.762 -0.014 0.000 1.388 175 H HN 0.479 nan 8.280 nan 0.000 0.538 176 I N 0.383 121.022 120.570 0.116 0.000 2.277 176 I HA -0.135 4.035 4.170 -0.000 0.000 0.243 176 I C 2.829 178.989 176.117 0.072 0.000 1.094 176 I CA 0.736 62.086 61.300 0.085 0.000 1.393 176 I CB -0.295 37.761 38.000 0.094 0.000 1.078 176 I HN 0.108 nan 8.210 nan 0.000 0.417 177 A N 1.147 124.014 122.820 0.077 0.000 1.892 177 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 177 A C 2.440 180.043 177.584 0.032 0.000 1.188 177 A CA 1.571 53.639 52.037 0.052 0.000 0.631 177 A CB -0.559 18.469 19.000 0.046 0.000 0.822 177 A HN 0.275 nan 8.150 nan 0.000 0.447 178 R N -0.856 119.662 120.500 0.031 0.000 2.070 178 R HA -0.153 4.187 4.340 -0.000 0.000 0.232 178 R C 2.243 178.560 176.300 0.030 0.000 1.138 178 R CA 1.653 57.769 56.100 0.026 0.000 0.936 178 R CB -0.651 29.668 30.300 0.032 0.000 0.839 178 R HN 0.770 nan 8.270 nan 0.000 0.429 179 E N -0.266 119.959 120.200 0.043 0.000 2.160 179 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 179 E C 1.963 178.579 176.600 0.027 0.000 0.991 179 E CA 1.151 57.574 56.400 0.039 0.000 0.810 179 E CB -0.181 29.542 29.700 0.038 0.000 0.742 179 E HN 0.466 nan 8.360 nan 0.000 0.466 180 G N 0.952 109.764 108.800 0.020 0.000 2.421 180 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.216 180 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.216 180 G C 1.520 176.419 174.900 -0.002 0.000 1.171 180 G CA 0.596 45.699 45.100 0.005 0.000 0.775 180 G HN 0.170 nan 8.290 nan 0.000 0.543 181 E N 1.001 121.201 120.200 0.000 0.000 2.038 181 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 181 E C 2.938 179.522 176.600 -0.027 0.000 1.000 181 E CA 1.262 57.654 56.400 -0.014 0.000 0.803 181 E CB -0.539 29.154 29.700 -0.011 0.000 0.750 181 E HN 0.275 nan 8.360 nan 0.000 0.448 182 A N 1.183 123.996 122.820 -0.011 0.000 1.908 182 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 182 A C 2.458 180.068 177.584 0.043 0.000 1.181 182 A CA 2.487 54.511 52.037 -0.021 0.000 0.627 182 A CB -0.796 18.229 19.000 0.042 0.000 0.818 182 A HN 0.337 nan 8.150 nan 0.000 0.445 183 A N -0.086 122.782 122.820 0.080 0.000 1.917 183 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 183 A C 2.264 179.858 177.584 0.017 0.000 1.182 183 A CA 1.994 54.078 52.037 0.079 0.000 0.633 183 A CB -0.572 18.430 19.000 0.004 0.000 0.819 183 A HN 0.631 nan 8.150 nan 0.000 0.448 184 R N -0.608 119.873 120.500 -0.031 0.000 2.070 184 R HA -0.187 4.153 4.340 -0.000 0.000 0.232 184 R C 2.290 178.537 176.300 -0.089 0.000 1.138 184 R CA 1.830 57.886 56.100 -0.072 0.000 0.936 184 R CB -0.488 29.778 30.300 -0.057 0.000 0.839 184 R HN 0.611 nan 8.270 nan 0.000 0.429 185 Q N -0.268 119.473 119.800 -0.099 0.000 2.112 185 Q HA -0.212 4.128 4.340 -0.000 0.000 0.206 185 Q C 2.066 177.980 176.000 -0.143 0.000 0.987 185 Q CA 1.435 57.154 55.803 -0.139 0.000 0.858 185 Q CB -0.430 28.192 28.738 -0.194 0.000 0.905 185 Q HN 0.634 nan 8.270 nan 0.000 0.420 186 H N 0.117 119.145 119.070 -0.069 0.000 2.489 186 H HA -0.019 4.537 4.556 -0.000 0.000 0.293 186 H C 2.110 177.374 175.328 -0.107 0.000 1.066 186 H CA 0.726 56.732 56.048 -0.070 0.000 1.305 186 H CB 0.040 29.764 29.762 -0.064 0.000 1.386 186 H HN 0.191 nan 8.280 nan 0.000 0.551 187 L N -0.071 121.123 121.223 -0.048 0.000 2.095 187 L HA -0.107 4.233 4.340 -0.000 0.000 0.204 187 L C 2.305 179.049 176.870 -0.209 0.000 1.080 187 L CA 0.326 55.049 54.840 -0.195 0.000 0.759 187 L CB -0.033 41.834 42.059 -0.320 0.000 0.914 187 L HN 0.155 nan 8.230 nan 0.000 0.439 188 I N 0.020 120.499 120.570 -0.152 0.000 2.226 188 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 188 I C 2.366 178.449 176.117 -0.057 0.000 1.100 188 I CA 1.501 62.739 61.300 -0.102 0.000 1.374 188 I CB -0.779 37.178 38.000 -0.071 0.000 1.057 188 I HN 0.393 nan 8.210 nan 0.000 0.413 189 E N 1.011 121.188 120.200 -0.038 0.000 2.017 189 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 189 E C 2.321 178.928 176.600 0.012 0.000 0.997 189 E CA 1.439 57.843 56.400 0.006 0.000 0.804 189 E CB -0.198 29.517 29.700 0.025 0.000 0.757 189 E HN 0.452 nan 8.360 nan 0.000 0.448 190 A N 1.709 124.528 122.820 -0.001 0.000 1.958 190 A HA -0.184 4.136 4.320 -0.000 0.000 0.221 190 A C 1.487 179.061 177.584 -0.017 0.000 1.178 190 A CA 1.290 53.324 52.037 -0.005 0.000 0.642 190 A CB -0.338 18.644 19.000 -0.029 0.000 0.816 190 A HN 0.163 nan 8.150 nan 0.000 0.453 191 N N -0.219 118.457 118.700 -0.039 0.000 2.839 191 N HA 0.372 5.112 4.740 -0.000 0.000 0.314 191 N C 0.086 175.574 175.510 -0.037 0.000 1.449 191 N CA 0.003 53.045 53.050 -0.013 0.000 1.050 191 N CB 0.647 39.151 38.487 0.028 0.000 1.364 191 N HN 0.387 nan 8.380 nan 0.000 0.512 192 L N -0.387 120.780 121.223 -0.094 0.000 2.556 192 L HA 0.196 4.536 4.340 -0.000 0.000 0.226 192 L C 2.406 179.038 176.870 -0.396 0.000 1.089 192 L CA 0.208 54.906 54.840 -0.238 0.000 0.864 192 L CB 0.179 42.097 42.059 -0.233 0.000 1.067 192 L HN 0.139 nan 8.230 nan 0.000 0.477 193 R N 0.303 120.668 120.500 -0.224 0.000 2.115 193 R HA -0.106 4.234 4.340 -0.000 0.000 0.226 193 R C 2.243 178.486 176.300 -0.095 0.000 1.100 193 R CA 0.868 56.872 56.100 -0.160 0.000 0.980 193 R CB 0.007 30.286 30.300 -0.036 0.000 0.875 193 R HN 0.229 nan 8.270 nan 0.000 0.445 194 L N 0.974 122.166 121.223 -0.052 0.000 2.017 194 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 194 L C 2.039 178.896 176.870 -0.021 0.000 1.073 194 L CA 1.668 56.508 54.840 -0.001 0.000 0.745 194 L CB -0.876 41.214 42.059 0.053 0.000 0.894 194 L HN 0.121 nan 8.230 nan 0.000 0.432 195 V N -0.083 119.793 119.914 -0.063 0.000 2.219 195 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 195 V C 2.782 178.819 176.094 -0.096 0.000 1.053 195 V CA 1.958 64.212 62.300 -0.076 0.000 1.009 195 V CB -0.549 31.198 31.823 -0.127 0.000 0.636 195 V HN 0.336 nan 8.190 nan 0.000 0.445 196 V N 1.055 120.855 119.914 -0.190 0.000 2.317 196 V HA -0.307 3.813 4.120 -0.000 0.000 0.251 196 V C 2.711 178.826 176.094 0.035 0.000 1.065 196 V CA 2.569 64.784 62.300 -0.141 0.000 1.049 196 V CB -1.199 30.515 31.823 -0.182 0.000 0.651 196 V HN 0.796 nan 8.190 nan 0.000 0.450 197 S N -0.130 115.582 115.700 0.020 0.000 2.368 197 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 197 S C 1.965 176.592 174.600 0.044 0.000 1.030 197 S CA 1.757 59.988 58.200 0.052 0.000 0.999 197 S CB -0.619 62.599 63.200 0.031 0.000 0.844 197 S HN 0.519 nan 8.310 nan 0.000 0.459 198 I N 2.441 123.030 120.570 0.031 0.000 2.090 198 I HA -0.158 4.012 4.170 -0.000 0.000 0.236 198 I C 3.115 179.267 176.117 0.059 0.000 1.064 198 I CA 1.288 62.608 61.300 0.033 0.000 1.324 198 I CB -0.816 37.225 38.000 0.068 0.000 1.044 198 I HN 0.441 nan 8.210 nan 0.000 0.399 199 A N 0.169 123.047 122.820 0.095 0.000 2.084 199 A HA -0.272 4.048 4.320 -0.000 0.000 0.221 199 A C 2.173 179.920 177.584 0.272 0.000 1.161 199 A CA 1.687 53.809 52.037 0.141 0.000 0.653 199 A CB -0.603 18.378 19.000 -0.031 0.000 0.802 199 A HN 0.363 nan 8.150 nan 0.000 0.457 200 K N -0.875 119.705 120.400 0.301 0.000 2.439 200 K HA -0.019 4.301 4.320 -0.000 0.000 0.197 200 K C 1.650 178.314 176.600 0.106 0.000 1.041 200 K CA 1.069 57.586 56.287 0.383 0.000 0.970 200 K CB -0.005 32.640 32.500 0.242 0.000 0.773 200 K HN 0.473 nan 8.250 nan 0.000 0.479 201 K N -1.126 119.260 120.400 -0.023 0.000 2.348 201 K HA 0.054 4.374 4.320 -0.000 0.000 0.194 201 K C 0.100 176.559 176.600 -0.235 0.000 1.052 201 K CA 0.261 56.432 56.287 -0.193 0.000 1.004 201 K CB 0.512 32.804 32.500 -0.347 0.000 0.873 201 K HN 0.082 nan 8.250 nan 0.000 0.523 202 Y N 0.941 121.276 120.300 0.058 0.000 2.881 202 Y HA 0.060 4.610 4.550 -0.000 0.000 0.369 202 Y C 1.389 177.327 175.900 0.063 0.000 1.066 202 Y CA -0.247 57.875 58.100 0.037 0.000 1.616 202 Y CB 0.151 38.619 38.460 0.013 0.000 1.436 202 Y HN 0.005 nan 8.280 nan 0.000 0.505 203 T N -0.862 113.788 114.554 0.161 0.000 2.698 203 T HA -0.136 4.214 4.350 -0.000 0.000 0.260 203 T C 2.052 176.809 174.700 0.095 0.000 1.044 203 T CA 1.486 63.671 62.100 0.142 0.000 1.149 203 T CB -0.378 68.519 68.868 0.049 0.000 0.864 203 T HN 0.620 nan 8.240 nan 0.000 0.419 204 G N 1.147 109.982 108.800 0.058 0.000 3.332 204 G HA2 0.012 3.972 3.960 -0.000 0.000 0.242 204 G HA3 0.012 3.972 3.960 -0.000 0.000 0.242 204 G C 1.367 176.295 174.900 0.046 0.000 1.276 204 G CA -0.289 44.834 45.100 0.039 0.000 0.988 204 G HN 0.157 nan 8.290 nan 0.000 0.517 205 R N 0.203 120.744 120.500 0.068 0.000 2.161 205 R HA 0.120 4.460 4.340 -0.000 0.000 0.213 205 R C 1.696 178.015 176.300 0.032 0.000 1.055 205 R CA 0.713 56.844 56.100 0.053 0.000 0.996 205 R CB -0.009 30.330 30.300 0.065 0.000 0.901 205 R HN 0.469 nan 8.270 nan 0.000 0.456 206 G N -0.031 108.792 108.800 0.037 0.000 2.161 206 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.140 206 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.140 206 G C -0.325 174.593 174.900 0.030 0.000 1.040 206 G CA -0.568 44.548 45.100 0.026 0.000 0.735 206 G HN 0.118 nan 8.290 nan 0.000 0.496 207 L N 0.996 122.247 121.223 0.046 0.000 2.333 207 L HA 0.704 5.044 4.340 -0.000 0.000 0.263 207 L C 0.442 177.359 176.870 0.078 0.000 1.014 207 L CA -0.987 53.883 54.840 0.050 0.000 0.820 207 L CB 2.159 44.244 42.059 0.044 0.000 1.352 207 L HN 0.166 nan 8.230 nan 0.000 0.421 208 S N 0.695 116.440 115.700 0.075 0.000 2.580 208 S HA 0.119 4.589 4.470 -0.000 0.000 0.274 208 S C 0.647 175.348 174.600 0.168 0.000 1.329 208 S CA -0.530 57.735 58.200 0.109 0.000 1.036 208 S CB 0.991 64.239 63.200 0.080 0.000 0.919 208 S HN 0.511 nan 8.310 nan 0.000 0.515 209 F N 2.130 122.100 119.950 0.033 0.000 2.091 209 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 209 F C 1.652 177.482 175.800 0.051 0.000 1.103 209 F CA 1.499 59.524 58.000 0.043 0.000 1.228 209 F CB -0.680 38.345 39.000 0.042 0.000 0.984 209 F HN 0.550 nan 8.300 nan 0.000 0.477 210 L N -0.363 120.892 121.223 0.053 0.000 2.083 210 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 210 L C 2.179 179.019 176.870 -0.051 0.000 1.083 210 L CA 1.456 56.265 54.840 -0.051 0.000 0.752 210 L CB -0.843 41.234 42.059 0.030 0.000 0.899 210 L HN 0.045 nan 8.230 nan 0.000 0.433 211 D N 0.030 120.429 120.400 -0.002 0.000 2.117 211 D HA -0.128 4.512 4.640 -0.000 0.000 0.198 211 D C 2.401 178.687 176.300 -0.024 0.000 0.982 211 D CA 1.098 55.095 54.000 -0.005 0.000 0.828 211 D CB -0.090 40.720 40.800 0.016 0.000 0.967 211 D HN 0.238 nan 8.370 nan 0.000 0.464 212 L N 0.335 121.546 121.223 -0.020 0.000 2.027 212 L HA -0.118 4.222 4.340 -0.000 0.000 0.206 212 L C 2.466 179.285 176.870 -0.085 0.000 1.074 212 L CA 0.741 55.569 54.840 -0.019 0.000 0.745 212 L CB -0.254 41.841 42.059 0.061 0.000 0.898 212 L HN -0.001 nan 8.230 nan 0.000 0.433 213 I N -0.971 119.474 120.570 -0.208 0.000 2.208 213 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 213 I C 2.717 178.758 176.117 -0.128 0.000 1.097 213 I CA 1.151 62.304 61.300 -0.244 0.000 1.363 213 I CB -0.394 37.376 38.000 -0.384 0.000 1.051 213 I HN 0.357 nan 8.210 nan 0.000 0.413 214 Q N 0.544 120.290 119.800 -0.090 0.000 2.050 214 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 214 Q C 2.209 178.188 176.000 -0.036 0.000 0.980 214 Q CA 1.407 57.183 55.803 -0.045 0.000 0.840 214 Q CB -0.235 28.486 28.738 -0.028 0.000 0.898 214 Q HN 0.545 nan 8.270 nan 0.000 0.424 215 E N -0.226 119.951 120.200 -0.038 0.000 2.051 215 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 215 E C 2.014 178.594 176.600 -0.034 0.000 0.991 215 E CA 1.215 57.595 56.400 -0.033 0.000 0.799 215 E CB -0.368 29.306 29.700 -0.043 0.000 0.748 215 E HN 0.457 nan 8.360 nan 0.000 0.449 216 G N 2.097 110.871 108.800 -0.043 0.000 2.442 216 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.219 216 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.219 216 G C 1.484 176.374 174.900 -0.017 0.000 1.141 216 G CA 0.751 45.831 45.100 -0.033 0.000 0.763 216 G HN 0.165 nan 8.290 nan 0.000 0.554 217 N N 0.334 119.016 118.700 -0.030 0.000 2.104 217 N HA -0.135 4.605 4.740 -0.000 0.000 0.190 217 N C 2.212 177.727 175.510 0.009 0.000 1.024 217 N CA 1.441 54.481 53.050 -0.017 0.000 0.853 217 N CB -0.437 38.037 38.487 -0.021 0.000 1.008 217 N HN 0.533 nan 8.380 nan 0.000 0.424 218 Q N 0.179 119.983 119.800 0.006 0.000 2.226 218 Q HA -0.039 4.301 4.340 -0.000 0.000 0.204 218 Q C 1.850 177.877 176.000 0.044 0.000 0.975 218 Q CA 1.564 57.378 55.803 0.019 0.000 0.866 218 Q CB -0.244 28.500 28.738 0.011 0.000 0.915 218 Q HN 0.388 nan 8.270 nan 0.000 0.440 219 G N 0.519 109.349 108.800 0.049 0.000 2.408 219 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.215 219 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.215 219 G C 1.295 176.275 174.900 0.134 0.000 1.156 219 G CA 0.415 45.577 45.100 0.103 0.000 0.793 219 G HN 0.386 nan 8.290 nan 0.000 0.535 220 L N 0.371 121.657 121.223 0.104 0.000 2.141 220 L HA 0.106 4.446 4.340 -0.000 0.000 0.209 220 L C 2.648 179.611 176.870 0.155 0.000 1.094 220 L CA 0.849 55.785 54.840 0.161 0.000 0.763 220 L CB -0.122 42.035 42.059 0.163 0.000 0.908 220 L HN 0.205 nan 8.230 nan 0.000 0.437 221 I N -0.896 119.719 120.570 0.075 0.000 2.361 221 I HA -0.290 3.880 4.170 -0.000 0.000 0.251 221 I C 2.638 178.745 176.117 -0.017 0.000 1.133 221 I CA 1.016 62.337 61.300 0.035 0.000 1.413 221 I CB -0.384 37.624 38.000 0.014 0.000 1.073 221 I HN 0.215 nan 8.210 nan 0.000 0.424 222 R N 0.836 121.310 120.500 -0.044 0.000 2.075 222 R HA -0.126 4.214 4.340 -0.000 0.000 0.232 222 R C 2.462 178.343 176.300 -0.697 0.000 1.126 222 R CA 1.434 57.403 56.100 -0.219 0.000 0.963 222 R CB -0.232 30.110 30.300 0.071 0.000 0.858 222 R HN 0.377 nan 8.270 nan 0.000 0.435 223 A N 0.167 122.672 122.820 -0.525 0.000 1.902 223 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 223 A C 2.169 179.745 177.584 -0.013 0.000 1.181 223 A CA 1.330 52.951 52.037 -0.693 0.000 0.623 223 A CB -0.485 18.338 19.000 -0.294 0.000 0.818 223 A HN 0.180 nan 8.150 nan 0.000 0.443 224 V N 0.056 120.121 119.914 0.252 0.000 2.688 224 V HA -0.275 3.845 4.120 -0.000 0.000 0.256 224 V C 2.365 178.544 176.094 0.141 0.000 1.084 224 V CA 2.273 64.750 62.300 0.294 0.000 1.103 224 V CB -0.756 31.120 31.823 0.089 0.000 0.688 224 V HN 0.709 nan 8.190 nan 0.000 0.480 225 E N -0.037 120.156 120.200 -0.012 0.000 2.047 225 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 225 E C 2.061 178.682 176.600 0.035 0.000 0.987 225 E CA 0.874 57.259 56.400 -0.025 0.000 0.799 225 E CB 0.125 29.756 29.700 -0.115 0.000 0.752 225 E HN 0.432 nan 8.360 nan 0.000 0.449 226 K N -0.102 120.315 120.400 0.029 0.000 2.379 226 K HA 0.008 4.328 4.320 -0.000 0.000 0.194 226 K C 0.187 176.915 176.600 0.213 0.000 1.031 226 K CA -0.157 56.236 56.287 0.176 0.000 1.037 226 K CB -0.108 32.583 32.500 0.317 0.000 0.824 226 K HN 0.068 nan 8.250 nan 0.000 0.516 227 F N 3.962 123.961 119.950 0.083 0.000 2.546 227 F HA -0.069 4.458 4.527 -0.000 0.000 0.388 227 F C 0.055 175.817 175.800 -0.064 0.000 1.051 227 F CA -0.028 57.897 58.000 -0.125 0.000 1.130 227 F CB 0.081 39.157 39.000 0.126 0.000 1.044 227 F HN -0.034 nan 8.300 nan 0.000 0.553 228 E N 7.221 126.987 120.200 -0.722 0.000 1.963 228 E HA -0.025 4.325 4.350 -0.000 0.000 0.274 228 E C 0.181 176.266 176.600 -0.858 0.000 1.061 228 E CA -0.303 55.783 56.400 -0.523 0.000 0.847 228 E CB 0.124 29.610 29.700 -0.356 0.000 1.083 228 E HN 0.776 nan 8.360 nan 0.000 0.402 229 Y N 3.122 123.008 120.300 -0.691 0.000 2.483 229 Y HA -0.106 4.444 4.550 -0.000 0.000 0.291 229 Y C 1.309 176.982 175.900 -0.378 0.000 1.143 229 Y CA 0.579 58.358 58.100 -0.534 0.000 1.289 229 Y CB -0.382 38.013 38.460 -0.110 0.000 0.983 229 Y HN 0.185 nan 8.280 nan 0.000 0.556 230 K N 1.118 121.021 120.400 -0.829 0.000 2.044 230 K HA -0.138 4.182 4.320 -0.000 0.000 0.210 230 K C 0.567 176.931 176.600 -0.394 0.000 1.049 230 K CA 1.611 57.514 56.287 -0.641 0.000 0.927 230 K CB -0.286 31.921 32.500 -0.490 0.000 0.713 230 K HN 0.302 nan 8.250 nan 0.000 0.443 231 R N 1.838 122.097 120.500 -0.402 0.000 2.291 231 R HA 0.066 4.406 4.340 -0.000 0.000 0.333 231 R C 0.921 176.962 176.300 -0.431 0.000 1.082 231 R CA -0.271 55.669 56.100 -0.266 0.000 0.948 231 R CB 0.613 30.866 30.300 -0.077 0.000 1.009 231 R HN 0.074 nan 8.270 nan 0.000 0.460 232 R N 4.279 124.677 120.500 -0.169 0.000 2.159 232 R HA -0.215 4.125 4.340 -0.000 0.000 0.252 232 R C 0.077 176.344 176.300 -0.054 0.000 1.144 232 R CA 1.582 57.630 56.100 -0.085 0.000 0.961 232 R CB -0.726 29.589 30.300 0.025 0.000 0.877 232 R HN 0.587 nan 8.270 nan 0.000 0.444 233 F N 1.440 121.420 119.950 0.051 0.000 2.623 233 F HA 0.003 4.530 4.527 -0.000 0.000 0.381 233 F C 0.375 176.370 175.800 0.324 0.000 1.081 233 F CA -0.683 57.401 58.000 0.140 0.000 1.293 233 F CB -0.006 39.062 39.000 0.114 0.000 1.006 233 F HN 0.088 nan 8.300 nan 0.000 0.578 234 K N 3.439 124.080 120.400 0.402 0.000 2.090 234 K HA 0.293 4.613 4.320 -0.000 0.000 0.250 234 K C 0.337 177.144 176.600 0.346 0.000 1.004 234 K CA -0.610 55.910 56.287 0.388 0.000 0.919 234 K CB 0.580 33.222 32.500 0.238 0.000 1.045 234 K HN 0.644 nan 8.250 nan 0.000 0.471 235 F N 1.252 121.048 119.950 -0.255 0.000 2.236 235 F HA -0.257 4.270 4.527 -0.000 0.000 0.302 235 F C 2.269 178.103 175.800 0.056 0.000 1.073 235 F CA 1.660 59.433 58.000 -0.379 0.000 1.336 235 F CB -0.117 38.537 39.000 -0.577 0.000 1.040 235 F HN 0.792 nan 8.300 nan 0.000 0.507 236 S N -0.702 115.129 115.700 0.217 0.000 2.354 236 S HA -0.217 4.253 4.470 -0.000 0.000 0.219 236 S C 2.019 176.718 174.600 0.164 0.000 1.035 236 S CA 2.091 60.401 58.200 0.184 0.000 1.037 236 S CB -0.580 62.717 63.200 0.161 0.000 0.956 236 S HN 0.457 nan 8.310 nan 0.000 0.428 237 T N 0.225 114.911 114.554 0.220 0.000 2.929 237 T HA -0.075 4.275 4.350 -0.000 0.000 0.271 237 T C 1.400 176.267 174.700 0.279 0.000 1.085 237 T CA 1.097 63.330 62.100 0.221 0.000 1.125 237 T CB -0.311 68.689 68.868 0.220 0.000 0.874 237 T HN 0.461 nan 8.240 nan 0.000 0.494 238 Y N 1.732 122.120 120.300 0.146 0.000 2.206 238 Y HA 0.253 4.803 4.550 -0.000 0.000 0.292 238 Y C 2.553 178.500 175.900 0.079 0.000 1.123 238 Y CA 0.396 58.601 58.100 0.175 0.000 1.142 238 Y CB -0.742 37.833 38.460 0.191 0.000 1.006 238 Y HN 0.173 nan 8.280 nan 0.000 0.518 239 A N -1.076 121.619 122.820 -0.208 0.000 1.972 239 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 239 A C 2.239 179.845 177.584 0.036 0.000 1.169 239 A CA 2.114 54.061 52.037 -0.150 0.000 0.635 239 A CB -1.286 17.687 19.000 -0.045 0.000 0.810 239 A HN 0.462 nan 8.150 nan 0.000 0.446 240 T N -1.722 112.874 114.554 0.070 0.000 2.665 240 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 240 T C 1.461 176.198 174.700 0.062 0.000 1.035 240 T CA 1.876 64.027 62.100 0.085 0.000 1.151 240 T CB -0.283 68.653 68.868 0.114 0.000 0.862 240 T HN 0.770 nan 8.240 nan 0.000 0.438 241 W N -0.183 121.068 121.300 -0.080 0.000 2.441 241 W HA 0.060 4.720 4.660 -0.000 0.000 0.302 241 W C 1.582 177.964 176.519 -0.228 0.000 1.191 241 W CA 0.292 57.532 57.345 -0.175 0.000 1.327 241 W CB -0.495 28.803 29.460 -0.270 0.000 1.128 241 W HN 0.265 nan 8.180 nan 0.000 0.522 242 W N 0.229 121.455 121.300 -0.122 0.000 2.468 242 W HA -0.089 4.571 4.660 -0.000 0.000 0.262 242 W C 1.926 178.279 176.519 -0.276 0.000 1.241 242 W CA 0.982 58.195 57.345 -0.221 0.000 1.232 242 W CB -0.280 29.074 29.460 -0.176 0.000 1.124 242 W HN -0.118 nan 8.180 nan 0.000 0.597 243 I N -0.994 119.543 120.570 -0.054 0.000 2.512 243 I HA -0.098 4.072 4.170 -0.000 0.000 0.247 243 I C 2.442 178.445 176.117 -0.189 0.000 1.094 243 I CA 0.533 61.794 61.300 -0.065 0.000 1.427 243 I CB -0.463 37.540 38.000 0.004 0.000 1.149 243 I HN -0.283 nan 8.210 nan 0.000 0.438 244 R N 0.407 120.768 120.500 -0.232 0.000 2.170 244 R HA -0.253 4.087 4.340 -0.000 0.000 0.242 244 R C 2.217 178.215 176.300 -0.504 0.000 1.145 244 R CA 1.487 57.416 56.100 -0.286 0.000 0.984 244 R CB -0.119 30.055 30.300 -0.211 0.000 0.869 244 R HN 0.278 nan 8.270 nan 0.000 0.455 245 Q N -0.436 118.955 119.800 -0.682 0.000 2.096 245 Q HA 0.064 4.404 4.340 -0.000 0.000 0.197 245 Q C 1.901 177.655 176.000 -0.411 0.000 0.964 245 Q CA 1.680 57.073 55.803 -0.683 0.000 0.838 245 Q CB -0.162 27.926 28.738 -1.083 0.000 0.906 245 Q HN 0.322 nan 8.270 nan 0.000 0.444 246 A N 0.179 122.813 122.820 -0.310 0.000 1.940 246 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 246 A C 2.073 179.550 177.584 -0.178 0.000 1.176 246 A CA 1.438 53.372 52.037 -0.172 0.000 0.631 246 A CB -0.713 18.238 19.000 -0.082 0.000 0.814 246 A HN 0.418 nan 8.150 nan 0.000 0.446 247 I N -0.331 120.101 120.570 -0.229 0.000 2.286 247 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 247 I C 1.971 177.896 176.117 -0.319 0.000 1.104 247 I CA 0.966 62.120 61.300 -0.243 0.000 1.397 247 I CB -0.428 37.416 38.000 -0.261 0.000 1.072 247 I HN 0.270 nan 8.210 nan 0.000 0.417 248 N N 0.866 119.311 118.700 -0.424 0.000 2.289 248 N HA -0.194 4.546 4.740 -0.000 0.000 0.184 248 N C 1.863 177.242 175.510 -0.218 0.000 1.016 248 N CA 1.058 53.888 53.050 -0.367 0.000 0.872 248 N CB -0.324 37.940 38.487 -0.372 0.000 0.973 248 N HN 0.356 nan 8.380 nan 0.000 0.433 249 R N 0.845 121.230 120.500 -0.192 0.000 2.057 249 R HA 0.073 4.413 4.340 -0.000 0.000 0.229 249 R C 2.091 178.334 176.300 -0.095 0.000 1.136 249 R CA 1.353 57.378 56.100 -0.124 0.000 0.952 249 R CB -0.394 29.841 30.300 -0.108 0.000 0.848 249 R HN 0.075 nan 8.270 nan 0.000 0.430 250 A N 1.271 124.033 122.820 -0.098 0.000 1.892 250 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 250 A C 2.246 179.793 177.584 -0.061 0.000 1.188 250 A CA 1.882 53.879 52.037 -0.068 0.000 0.631 250 A CB -0.777 18.185 19.000 -0.064 0.000 0.822 250 A HN 0.442 nan 8.150 nan 0.000 0.447 251 I N -0.576 119.945 120.570 -0.081 0.000 2.423 251 I HA -0.281 3.889 4.170 -0.000 0.000 0.254 251 I C 2.749 178.836 176.117 -0.050 0.000 1.151 251 I CA 1.019 62.284 61.300 -0.060 0.000 1.421 251 I CB -0.164 37.790 38.000 -0.077 0.000 1.079 251 I HN 0.397 nan 8.210 nan 0.000 0.431 252 A N -0.075 122.708 122.820 -0.061 0.000 1.984 252 A HA -0.107 4.213 4.320 -0.000 0.000 0.214 252 A C 1.730 179.292 177.584 -0.037 0.000 1.173 252 A CA 1.263 53.272 52.037 -0.047 0.000 0.673 252 A CB -0.272 18.698 19.000 -0.052 0.000 0.830 252 A HN 0.293 nan 8.150 nan 0.000 0.453 253 D N -0.913 119.465 120.400 -0.036 0.000 2.271 253 D HA 0.026 4.666 4.640 -0.000 0.000 0.206 253 D C 1.938 178.226 176.300 -0.019 0.000 0.967 253 D CA 1.012 54.996 54.000 -0.026 0.000 0.867 253 D CB 0.080 40.865 40.800 -0.025 0.000 0.960 253 D HN 0.540 nan 8.370 nan 0.000 0.509 254 Q N -0.599 119.190 119.800 -0.019 0.000 2.322 254 Q HA 0.347 4.687 4.340 -0.000 0.000 0.250 254 Q C 1.731 177.727 176.000 -0.007 0.000 0.853 254 Q CA 0.226 56.022 55.803 -0.011 0.000 0.951 254 Q CB 0.565 29.297 28.738 -0.010 0.000 1.114 254 Q HN 0.131 nan 8.270 nan 0.000 0.523 255 A N 1.046 123.860 122.820 -0.009 0.000 2.234 255 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 255 A C 0.774 178.357 177.584 -0.003 0.000 1.167 255 A CA 0.940 52.975 52.037 -0.004 0.000 0.698 255 A CB -0.087 18.910 19.000 -0.005 0.000 0.779 255 A HN 0.100 nan 8.150 nan 0.000 0.475 256 R N -2.661 117.836 120.500 -0.006 0.000 2.892 256 R HA 0.461 4.801 4.340 -0.000 0.000 0.265 256 R C 0.339 176.639 176.300 -0.001 0.000 1.025 256 R CA -0.102 55.996 56.100 -0.004 0.000 0.982 256 R CB 1.077 31.372 30.300 -0.009 0.000 1.185 256 R HN 0.136 nan 8.270 nan 0.000 0.484 257 T N 0.484 115.040 114.554 0.002 0.000 3.081 257 T HA 0.206 4.556 4.350 -0.000 0.000 0.255 257 T C 0.575 175.279 174.700 0.006 0.000 1.113 257 T CA 0.640 62.744 62.100 0.006 0.000 1.082 257 T CB 0.198 69.072 68.868 0.011 0.000 0.939 257 T HN 0.235 nan 8.240 nan 0.000 0.506 258 I N 2.442 123.013 120.570 0.002 0.000 2.537 258 I HA 0.373 4.543 4.170 -0.000 0.000 0.276 258 I C 0.009 176.122 176.117 -0.006 0.000 1.063 258 I CA -1.285 60.015 61.300 0.001 0.000 1.144 258 I CB 0.619 38.621 38.000 0.003 0.000 1.252 258 I HN -0.042 nan 8.210 nan 0.000 0.480 259 R N 4.712 125.209 120.500 -0.006 0.000 2.730 259 R HA 0.041 4.381 4.340 -0.000 0.000 0.327 259 R C -0.738 175.551 176.300 -0.018 0.000 0.825 259 R CA 0.806 56.900 56.100 -0.010 0.000 1.130 259 R CB -0.207 30.089 30.300 -0.006 0.000 0.883 259 R HN 0.650 nan 8.270 nan 0.000 0.407 260 I N 7.024 127.577 120.570 -0.027 0.000 2.474 260 I HA 0.466 4.636 4.170 -0.000 0.000 0.294 260 I C -2.050 174.036 176.117 -0.053 0.000 1.005 260 I CA -2.945 58.327 61.300 -0.046 0.000 1.113 260 I CB 2.025 39.995 38.000 -0.049 0.000 1.289 260 I HN 0.606 nan 8.210 nan 0.000 0.436 261 P HA 0.026 nan 4.420 nan 0.000 0.271 261 P C 0.747 178.018 177.300 -0.047 0.000 1.238 261 P CA -0.373 62.699 63.100 -0.047 0.000 0.794 261 P CB 0.601 32.281 31.700 -0.033 0.000 0.959 262 V N 0.152 120.065 119.914 -0.001 0.000 2.626 262 V HA -0.246 3.874 4.120 -0.000 0.000 0.252 262 V C 2.179 178.303 176.094 0.050 0.000 1.067 262 V CA 1.988 64.293 62.300 0.009 0.000 1.081 262 V CB -1.750 30.080 31.823 0.011 0.000 0.686 262 V HN 0.745 nan 8.190 nan 0.000 0.468 263 H N -0.258 118.817 119.070 0.009 0.000 2.395 263 H HA -0.083 4.473 4.556 -0.000 0.000 0.299 263 H C 2.093 177.446 175.328 0.042 0.000 1.070 263 H CA 1.529 57.590 56.048 0.023 0.000 1.356 263 H CB -0.009 29.763 29.762 0.016 0.000 1.401 263 H HN 0.302 nan 8.280 nan 0.000 0.524 264 M N 1.062 120.428 119.600 -0.391 0.000 2.419 264 M HA -0.049 4.431 4.480 -0.000 0.000 0.264 264 M C 2.299 178.553 176.300 -0.078 0.000 1.082 264 M CA 0.345 55.474 55.300 -0.286 0.000 1.119 264 M CB 0.020 32.435 32.600 -0.307 0.000 1.398 264 M HN 0.202 nan 8.290 nan 0.000 0.453 265 V N 0.392 120.275 119.914 -0.052 0.000 2.302 265 V HA -0.190 3.930 4.120 -0.000 0.000 0.243 265 V C 2.107 178.202 176.094 0.002 0.000 1.036 265 V CA 1.581 63.866 62.300 -0.024 0.000 1.020 265 V CB -0.641 31.165 31.823 -0.028 0.000 0.657 265 V HN 0.439 nan 8.190 nan 0.000 0.453 266 E N -0.105 120.110 120.200 0.025 0.000 2.153 266 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 266 E C 2.270 178.908 176.600 0.062 0.000 0.988 266 E CA 1.659 58.083 56.400 0.040 0.000 0.811 266 E CB -0.242 29.491 29.700 0.055 0.000 0.746 266 E HN 0.540 nan 8.360 nan 0.000 0.466 267 T N 1.324 115.945 114.554 0.111 0.000 2.622 267 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 267 T C 1.933 176.666 174.700 0.054 0.000 1.047 267 T CA 1.162 63.368 62.100 0.177 0.000 1.159 267 T CB -0.228 68.810 68.868 0.283 0.000 0.863 267 T HN 0.119 nan 8.240 nan 0.000 0.422 268 I N 1.331 121.916 120.570 0.026 0.000 2.208 268 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 268 I C 2.605 178.691 176.117 -0.051 0.000 1.097 268 I CA 0.951 62.236 61.300 -0.025 0.000 1.363 268 I CB -0.386 37.601 38.000 -0.022 0.000 1.051 268 I HN 0.220 nan 8.210 nan 0.000 0.413 269 N N 0.994 119.676 118.700 -0.031 0.000 2.120 269 N HA -0.171 4.569 4.740 -0.000 0.000 0.188 269 N C 1.804 177.279 175.510 -0.058 0.000 1.024 269 N CA 1.290 54.319 53.050 -0.035 0.000 0.852 269 N CB -0.077 38.401 38.487 -0.015 0.000 1.003 269 N HN 0.358 nan 8.380 nan 0.000 0.424 270 K N 0.898 121.261 120.400 -0.062 0.000 2.009 270 K HA -0.081 4.239 4.320 -0.000 0.000 0.210 270 K C 2.197 178.684 176.600 -0.189 0.000 1.049 270 K CA 0.669 56.894 56.287 -0.103 0.000 0.929 270 K CB -0.363 32.086 32.500 -0.085 0.000 0.714 270 K HN 0.198 nan 8.250 nan 0.000 0.440 271 L N 1.358 122.431 121.223 -0.251 0.000 2.013 271 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 271 L C 2.852 179.600 176.870 -0.203 0.000 1.073 271 L CA 1.953 56.606 54.840 -0.313 0.000 0.753 271 L CB -0.906 40.972 42.059 -0.302 0.000 0.890 271 L HN 0.347 nan 8.230 nan 0.000 0.432 272 S N -0.035 115.579 115.700 -0.143 0.000 2.353 272 S HA -0.259 4.211 4.470 -0.000 0.000 0.222 272 S C 2.012 176.555 174.600 -0.095 0.000 1.035 272 S CA 1.146 59.282 58.200 -0.107 0.000 1.025 272 S CB -0.547 62.608 63.200 -0.075 0.000 0.902 272 S HN 0.363 nan 8.310 nan 0.000 0.440 273 R N 1.261 121.709 120.500 -0.086 0.000 2.127 273 R HA -0.063 4.277 4.340 -0.000 0.000 0.238 273 R C 2.767 179.018 176.300 -0.081 0.000 1.134 273 R CA 1.833 57.892 56.100 -0.070 0.000 0.975 273 R CB -1.055 29.212 30.300 -0.057 0.000 0.865 273 R HN 0.813 nan 8.270 nan 0.000 0.447 274 T N -0.814 113.670 114.554 -0.115 0.000 2.777 274 T HA -0.041 4.309 4.350 -0.000 0.000 0.266 274 T C 2.115 176.755 174.700 -0.100 0.000 1.040 274 T CA 1.017 63.045 62.100 -0.120 0.000 1.141 274 T CB -0.256 68.502 68.868 -0.183 0.000 0.868 274 T HN 0.252 nan 8.240 nan 0.000 0.444 275 A N 1.920 124.674 122.820 -0.109 0.000 2.019 275 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 275 A C 2.556 180.105 177.584 -0.059 0.000 1.164 275 A CA 0.881 52.866 52.037 -0.086 0.000 0.644 275 A CB -0.464 18.475 19.000 -0.101 0.000 0.805 275 A HN 0.332 nan 8.150 nan 0.000 0.449 276 R N -0.283 120.182 120.500 -0.057 0.000 2.062 276 R HA -0.109 4.231 4.340 -0.000 0.000 0.231 276 R C 2.268 178.547 176.300 -0.035 0.000 1.136 276 R CA 1.618 57.693 56.100 -0.042 0.000 0.948 276 R CB -0.764 29.512 30.300 -0.040 0.000 0.845 276 R HN 0.740 nan 8.270 nan 0.000 0.430 277 Q N 0.632 120.409 119.800 -0.039 0.000 2.135 277 Q HA -0.086 4.254 4.340 -0.000 0.000 0.204 277 Q C 2.196 178.180 176.000 -0.027 0.000 0.981 277 Q CA 1.150 56.934 55.803 -0.031 0.000 0.856 277 Q CB -0.147 28.570 28.738 -0.034 0.000 0.902 277 Q HN 0.327 nan 8.270 nan 0.000 0.425 278 L N 0.396 121.600 121.223 -0.031 0.000 2.395 278 L HA -0.122 4.218 4.340 -0.000 0.000 0.218 278 L C 2.241 179.101 176.870 -0.016 0.000 1.130 278 L CA 0.568 55.395 54.840 -0.023 0.000 0.826 278 L CB -0.160 41.883 42.059 -0.026 0.000 0.941 278 L HN 0.203 nan 8.230 nan 0.000 0.451 279 Q N 0.619 120.407 119.800 -0.019 0.000 2.403 279 Q HA -0.148 4.192 4.340 -0.000 0.000 0.203 279 Q C 1.880 177.872 176.000 -0.013 0.000 0.932 279 Q CA 0.758 56.553 55.803 -0.015 0.000 0.945 279 Q CB -0.030 28.697 28.738 -0.019 0.000 1.045 279 Q HN 0.528 nan 8.270 nan 0.000 0.511 280 Q N -0.623 119.168 119.800 -0.014 0.000 2.269 280 Q HA -0.105 4.235 4.340 -0.000 0.000 0.201 280 Q C 0.942 176.936 176.000 -0.009 0.000 0.946 280 Q CA 1.518 57.313 55.803 -0.012 0.000 0.877 280 Q CB 0.309 29.039 28.738 -0.013 0.000 0.963 280 Q HN 0.356 nan 8.270 nan 0.000 0.472 281 E N -1.197 118.999 120.200 -0.007 0.000 2.555 281 E HA 0.080 4.430 4.350 -0.000 0.000 0.209 281 E C 1.310 177.908 176.600 -0.003 0.000 0.847 281 E CA -0.070 56.327 56.400 -0.005 0.000 1.438 281 E CB -0.092 29.605 29.700 -0.005 0.000 1.420 281 E HN 0.227 nan 8.360 nan 0.000 0.755 282 L N 0.240 121.462 121.223 -0.002 0.000 2.179 282 L HA 0.225 4.565 4.340 -0.000 0.000 0.208 282 L C 1.267 178.138 176.870 0.001 0.000 1.096 282 L CA 2.181 57.022 54.840 0.001 0.000 0.779 282 L CB -0.839 41.222 42.059 0.004 0.000 0.922 282 L HN 0.496 nan 8.230 nan 0.000 0.443 283 G N 0.632 109.432 108.800 0.000 0.000 2.143 283 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.249 283 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.249 283 G C 0.483 175.385 174.900 0.003 0.000 0.981 283 G CA 0.126 45.227 45.100 0.001 0.000 0.665 283 G HN 0.405 nan 8.290 nan 0.000 0.528 284 R N 0.519 121.022 120.500 0.006 0.000 2.412 284 R HA 0.335 4.675 4.340 -0.000 0.000 0.304 284 R C -0.460 175.849 176.300 0.016 0.000 1.066 284 R CA -0.697 55.409 56.100 0.011 0.000 0.923 284 R CB 0.963 31.270 30.300 0.012 0.000 1.156 284 R HN 0.390 nan 8.270 nan 0.000 0.513 285 E N 3.907 124.118 120.200 0.019 0.000 2.603 285 E HA -0.029 4.321 4.350 -0.000 0.000 0.242 285 E C -2.119 174.509 176.600 0.047 0.000 1.083 285 E CA -0.989 55.425 56.400 0.024 0.000 0.950 285 E CB 0.068 29.783 29.700 0.026 0.000 0.952 285 E HN 0.182 nan 8.360 nan 0.000 0.498 286 P HA -0.191 nan 4.420 nan 0.000 0.264 286 P C -0.206 177.181 177.300 0.145 0.000 1.156 286 P CA 0.553 63.694 63.100 0.069 0.000 0.756 286 P CB 0.409 32.135 31.700 0.043 0.000 0.764 287 T N 2.706 117.328 114.554 0.114 0.000 2.898 287 T HA 0.056 4.406 4.350 -0.000 0.000 0.301 287 T C 0.494 175.341 174.700 0.244 0.000 1.049 287 T CA -0.328 61.838 62.100 0.110 0.000 1.095 287 T CB 0.122 69.000 68.868 0.017 0.000 0.976 287 T HN 0.178 nan 8.240 nan 0.000 0.539 288 Y N 2.034 122.338 120.300 0.006 0.000 2.497 288 Y HA 0.189 4.739 4.550 -0.000 0.000 0.345 288 Y C 1.727 177.637 175.900 0.018 0.000 1.204 288 Y CA -0.458 57.647 58.100 0.009 0.000 1.265 288 Y CB -1.537 36.936 38.460 0.022 0.000 1.121 288 Y HN 0.677 nan 8.280 nan 0.000 0.493 289 E N 0.495 120.780 120.200 0.142 0.000 2.060 289 E HA -0.069 4.281 4.350 -0.000 0.000 0.189 289 E C 1.902 178.546 176.600 0.074 0.000 0.974 289 E CA 0.770 57.223 56.400 0.089 0.000 0.808 289 E CB 0.106 29.836 29.700 0.051 0.000 0.768 289 E HN 0.327 nan 8.360 nan 0.000 0.453 290 E N 0.497 120.733 120.200 0.061 0.000 2.021 290 E HA -0.214 4.136 4.350 -0.000 0.000 0.200 290 E C 1.966 178.572 176.600 0.009 0.000 1.015 290 E CA 1.249 57.667 56.400 0.030 0.000 0.824 290 E CB -0.371 29.342 29.700 0.023 0.000 0.762 290 E HN 0.147 nan 8.360 nan 0.000 0.454 291 I N 0.515 121.085 120.570 0.001 0.000 2.181 291 I HA -0.373 3.797 4.170 -0.000 0.000 0.247 291 I C 1.961 178.028 176.117 -0.083 0.000 1.081 291 I CA 1.984 63.240 61.300 -0.074 0.000 1.340 291 I CB -0.582 37.366 38.000 -0.086 0.000 1.036 291 I HN 0.186 nan 8.210 nan 0.000 0.417 292 A N -0.353 122.489 122.820 0.037 0.000 1.855 292 A HA -0.214 4.106 4.320 -0.000 0.000 0.215 292 A C 2.160 179.806 177.584 0.103 0.000 1.191 292 A CA 1.818 53.934 52.037 0.132 0.000 0.613 292 A CB -0.795 18.315 19.000 0.184 0.000 0.829 292 A HN 0.587 nan 8.150 nan 0.000 0.442 293 E N -0.109 120.131 120.200 0.065 0.000 2.013 293 E HA -0.202 4.148 4.350 -0.000 0.000 0.202 293 E C 2.369 178.983 176.600 0.024 0.000 1.018 293 E CA 1.145 57.576 56.400 0.052 0.000 0.834 293 E CB -0.472 29.249 29.700 0.035 0.000 0.770 293 E HN 0.558 nan 8.360 nan 0.000 0.459 294 A N 1.459 124.270 122.820 -0.016 0.000 1.958 294 A HA -0.234 4.086 4.320 -0.000 0.000 0.221 294 A C 2.193 179.730 177.584 -0.079 0.000 1.178 294 A CA 1.629 53.640 52.037 -0.043 0.000 0.642 294 A CB -0.465 18.499 19.000 -0.060 0.000 0.816 294 A HN 0.192 nan 8.150 nan 0.000 0.453 295 M N -1.818 117.683 119.600 -0.164 0.000 2.099 295 M HA 0.091 4.571 4.480 -0.000 0.000 0.262 295 M C 1.370 177.658 176.300 -0.019 0.000 1.067 295 M CA 1.781 56.902 55.300 -0.298 0.000 1.124 295 M CB -0.883 31.133 32.600 -0.974 0.000 1.353 295 M HN 0.613 nan 8.290 nan 0.000 0.410 296 G N -1.766 107.130 108.800 0.160 0.000 2.347 296 G HA2 0.040 4.000 3.960 -0.000 0.000 0.224 296 G HA3 0.040 4.000 3.960 -0.000 0.000 0.224 296 G C -2.539 172.525 174.900 0.273 0.000 1.318 296 G CA -0.461 44.781 45.100 0.236 0.000 1.016 296 G HN 0.072 nan 8.290 nan 0.000 0.469 297 P HA 0.004 nan 4.420 nan 0.000 0.212 297 P C 1.644 178.986 177.300 0.071 0.000 0.886 297 P CA 2.196 65.357 63.100 0.101 0.000 1.017 297 P CB -0.280 31.453 31.700 0.055 0.000 0.686 298 G N -2.017 106.758 108.800 -0.041 0.000 3.424 298 G HA2 0.126 4.086 3.960 -0.000 0.000 0.263 298 G HA3 0.126 4.086 3.960 -0.000 0.000 0.263 298 G C -0.772 174.016 174.900 -0.187 0.000 1.310 298 G CA -0.381 44.644 45.100 -0.126 0.000 1.089 298 G HN 0.154 nan 8.290 nan 0.000 0.534 299 W N 0.108 121.419 121.300 0.018 0.000 2.351 299 W HA 0.538 5.198 4.660 -0.000 0.000 0.311 299 W C 0.059 176.596 176.519 0.029 0.000 1.168 299 W CA -0.642 56.717 57.345 0.024 0.000 1.200 299 W CB 1.351 30.824 29.460 0.022 0.000 1.221 299 W HN 0.173 nan 8.180 nan 0.000 0.519 300 D N 0.808 121.370 120.400 0.269 0.000 2.592 300 D HA 0.578 5.218 4.640 -0.000 0.000 0.263 300 D C 0.937 177.361 176.300 0.206 0.000 1.132 300 D CA -0.276 53.833 54.000 0.182 0.000 0.996 300 D CB 1.690 42.551 40.800 0.100 0.000 1.442 300 D HN 0.272 nan 8.370 nan 0.000 0.486 301 A N 1.226 124.145 122.820 0.165 0.000 1.865 301 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 301 A C 1.884 179.586 177.584 0.196 0.000 1.191 301 A CA 2.519 54.669 52.037 0.189 0.000 0.623 301 A CB -1.044 18.024 19.000 0.114 0.000 0.826 301 A HN 0.717 nan 8.150 nan 0.000 0.444 302 K N -0.514 119.965 120.400 0.131 0.000 2.127 302 K HA -0.233 4.087 4.320 -0.000 0.000 0.208 302 K C 2.114 178.796 176.600 0.138 0.000 1.047 302 K CA 1.795 58.150 56.287 0.114 0.000 0.927 302 K CB -0.297 32.245 32.500 0.069 0.000 0.716 302 K HN 0.426 nan 8.250 nan 0.000 0.450 303 R N 0.699 121.296 120.500 0.162 0.000 2.078 303 R HA -0.066 4.274 4.340 -0.000 0.000 0.224 303 R C 2.391 178.840 176.300 0.248 0.000 1.149 303 R CA 1.690 57.909 56.100 0.199 0.000 0.916 303 R CB -0.583 29.865 30.300 0.246 0.000 0.821 303 R HN 0.075 nan 8.270 nan 0.000 0.434 304 V N 1.452 121.534 119.914 0.280 0.000 2.317 304 V HA -0.329 3.791 4.120 -0.000 0.000 0.251 304 V C 2.272 178.379 176.094 0.020 0.000 1.065 304 V CA 2.259 64.625 62.300 0.111 0.000 1.049 304 V CB -0.583 31.250 31.823 0.016 0.000 0.651 304 V HN 0.477 nan 8.190 nan 0.000 0.450 305 E N -0.327 119.984 120.200 0.184 0.000 2.085 305 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 305 E C 2.222 178.896 176.600 0.123 0.000 0.994 305 E CA 1.769 58.316 56.400 0.245 0.000 0.801 305 E CB -0.073 29.846 29.700 0.365 0.000 0.743 305 E HN 0.728 nan 8.360 nan 0.000 0.453 306 E N -0.685 119.584 120.200 0.116 0.000 2.072 306 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 306 E C 2.093 178.730 176.600 0.063 0.000 0.985 306 E CA 1.637 58.086 56.400 0.083 0.000 0.801 306 E CB 0.040 29.789 29.700 0.082 0.000 0.750 306 E HN 0.256 nan 8.360 nan 0.000 0.452 307 T N 1.796 116.396 114.554 0.076 0.000 2.674 307 T HA -0.112 4.238 4.350 -0.000 0.000 0.265 307 T C 1.950 176.650 174.700 -0.000 0.000 1.039 307 T CA 0.946 63.082 62.100 0.060 0.000 1.150 307 T CB -0.241 68.693 68.868 0.110 0.000 0.864 307 T HN 0.112 nan 8.240 nan 0.000 0.427 308 L N 0.362 121.557 121.223 -0.046 0.000 2.275 308 L HA 0.002 4.342 4.340 -0.000 0.000 0.215 308 L C 2.462 179.314 176.870 -0.029 0.000 1.119 308 L CA 1.184 55.978 54.840 -0.076 0.000 0.790 308 L CB -0.687 41.270 42.059 -0.170 0.000 0.919 308 L HN 0.226 nan 8.230 nan 0.000 0.443 309 K N 0.627 121.029 120.400 0.003 0.000 2.155 309 K HA -0.010 4.309 4.320 -0.000 0.000 0.203 309 K C 1.983 178.591 176.600 0.013 0.000 1.052 309 K CA 1.031 57.330 56.287 0.020 0.000 0.948 309 K CB 0.039 32.563 32.500 0.041 0.000 0.728 309 K HN 0.304 nan 8.250 nan 0.000 0.448 310 I N 0.233 120.808 120.570 0.009 0.000 3.030 310 I HA -0.079 4.091 4.170 -0.000 0.000 0.270 310 I C 2.246 178.360 176.117 -0.005 0.000 1.211 310 I CA 0.179 61.481 61.300 0.004 0.000 1.479 310 I CB -0.130 37.872 38.000 0.003 0.000 1.105 310 I HN 0.072 nan 8.210 nan 0.000 0.447 311 A N 0.645 123.458 122.820 -0.012 0.000 1.841 311 A HA -0.138 4.182 4.320 -0.000 0.000 0.214 311 A C 1.239 178.814 177.584 -0.016 0.000 1.195 311 A CA 0.685 52.710 52.037 -0.020 0.000 0.611 311 A CB -0.727 18.253 19.000 -0.034 0.000 0.835 311 A HN 0.396 nan 8.150 nan 0.000 0.443 312 Q N 0.986 120.777 119.800 -0.014 0.000 2.431 312 Q HA 0.020 4.360 4.340 -0.000 0.000 0.349 312 Q C -0.293 175.703 176.000 -0.005 0.000 1.119 312 Q CA 0.544 56.341 55.803 -0.010 0.000 1.065 312 Q CB 0.286 29.021 28.738 -0.004 0.000 1.149 312 Q HN 0.554 nan 8.270 nan 0.000 0.403 313 E N 2.680 122.876 120.200 -0.006 0.000 2.280 313 E HA 0.246 4.596 4.350 -0.000 0.000 0.264 313 E C -2.131 174.470 176.600 0.003 0.000 1.064 313 E CA -1.933 54.466 56.400 -0.002 0.000 0.900 313 E CB 0.396 30.094 29.700 -0.004 0.000 1.123 313 E HN 0.385 nan 8.360 nan 0.000 0.418 314 P HA -0.013 nan 4.420 nan 0.000 0.263 314 P C -0.534 176.775 177.300 0.014 0.000 1.195 314 P CA 0.138 63.250 63.100 0.020 0.000 0.762 314 P CB 0.403 32.118 31.700 0.026 0.000 0.799 315 V N 3.117 123.038 119.914 0.012 0.000 3.003 315 V HA 0.072 4.192 4.120 -0.000 0.000 0.305 315 V C 0.778 176.880 176.094 0.014 0.000 1.078 315 V CA -0.013 62.276 62.300 -0.020 0.000 1.083 315 V CB 1.497 33.276 31.823 -0.074 0.000 1.039 315 V HN 0.569 nan 8.190 nan 0.000 0.481 316 S N 3.371 119.067 115.700 -0.007 0.000 2.488 316 S HA 0.195 4.665 4.470 -0.000 0.000 0.278 316 S C 0.961 175.652 174.600 0.151 0.000 1.259 316 S CA -0.406 57.827 58.200 0.056 0.000 1.061 316 S CB 0.116 63.344 63.200 0.048 0.000 0.910 316 S HN 0.626 nan 8.310 nan 0.000 0.491 317 L N 3.812 125.160 121.223 0.209 0.000 2.551 317 L HA -0.050 4.290 4.340 -0.000 0.000 0.230 317 L C 0.640 177.728 176.870 0.364 0.000 1.163 317 L CA 0.970 55.997 54.840 0.312 0.000 0.826 317 L CB -0.159 41.995 42.059 0.159 0.000 0.943 317 L HN 0.722 nan 8.230 nan 0.000 0.452 318 E N -1.067 119.325 120.200 0.320 0.000 2.267 318 E HA 0.446 4.796 4.350 -0.000 0.000 0.248 318 E C -0.911 175.887 176.600 0.330 0.000 0.899 318 E CA -0.586 56.121 56.400 0.512 0.000 0.764 318 E CB 1.228 31.163 29.700 0.391 0.000 1.227 318 E HN -0.147 nan 8.360 nan 0.000 0.421 319 T N 2.066 116.675 114.554 0.091 0.000 2.894 319 T HA 0.413 4.763 4.350 -0.000 0.000 0.309 319 T C -2.733 171.725 174.700 -0.404 0.000 1.208 319 T CA -1.665 60.335 62.100 -0.167 0.000 1.016 319 T CB 1.681 70.419 68.868 -0.215 0.000 1.192 319 T HN 0.200 nan 8.240 nan 0.000 0.491 320 P HA 0.349 nan 4.420 nan 0.000 0.269 320 P C -0.777 176.337 177.300 -0.311 0.000 1.209 320 P CA -0.410 62.452 63.100 -0.397 0.000 0.776 320 P CB 0.408 31.951 31.700 -0.261 0.000 0.876 321 I N 1.087 121.478 120.570 -0.299 0.000 2.740 321 I HA 0.375 4.545 4.170 -0.000 0.000 0.303 321 I C 1.411 177.449 176.117 -0.131 0.000 1.044 321 I CA -0.196 60.957 61.300 -0.246 0.000 1.064 321 I CB 1.046 38.802 38.000 -0.406 0.000 1.249 321 I HN 0.650 nan 8.210 nan 0.000 0.433 322 G N 4.618 113.381 108.800 -0.061 0.000 2.684 322 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.332 322 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.332 322 G C 0.254 175.146 174.900 -0.014 0.000 1.306 322 G CA 0.450 45.555 45.100 0.008 0.000 1.002 322 G HN 0.705 nan 8.290 nan 0.000 0.545 323 D N 3.512 123.915 120.400 0.005 0.000 2.416 323 D HA 0.220 4.860 4.640 -0.000 0.000 0.240 323 D C 1.017 177.302 176.300 -0.025 0.000 1.250 323 D CA 0.272 54.268 54.000 -0.007 0.000 0.967 323 D CB -0.654 40.150 40.800 0.006 0.000 1.059 323 D HN 0.486 nan 8.370 nan 0.000 0.512 324 E N 2.784 122.954 120.200 -0.050 0.000 3.288 324 E HA -0.136 4.214 4.350 -0.000 0.000 0.237 324 E C -0.008 176.554 176.600 -0.063 0.000 0.958 324 E CA 0.625 56.977 56.400 -0.080 0.000 0.947 324 E CB 0.331 29.980 29.700 -0.085 0.000 0.896 324 E HN 0.419 nan 8.360 nan 0.000 0.566 325 K N 1.602 121.957 120.400 -0.075 0.000 2.395 325 K HA 0.041 4.361 4.320 -0.000 0.000 0.272 325 K C 0.186 176.747 176.600 -0.065 0.000 0.984 325 K CA -0.408 55.852 56.287 -0.046 0.000 0.816 325 K CB 0.791 33.286 32.500 -0.007 0.000 1.504 325 K HN 0.394 nan 8.250 nan 0.000 0.375 326 D N 0.438 120.840 120.400 0.003 0.000 2.393 326 D HA -0.109 4.531 4.640 -0.000 0.000 0.220 326 D C 0.271 176.623 176.300 0.086 0.000 0.974 326 D CA 0.684 54.726 54.000 0.070 0.000 0.931 326 D CB -0.187 40.672 40.800 0.098 0.000 0.889 326 D HN 0.079 nan 8.370 nan 0.000 0.512 327 S N -0.002 115.701 115.700 0.006 0.000 2.465 327 S HA 0.105 4.575 4.470 -0.000 0.000 0.307 327 S C -0.482 174.048 174.600 -0.118 0.000 1.187 327 S CA -0.500 57.711 58.200 0.019 0.000 1.141 327 S CB -0.635 62.579 63.200 0.023 0.000 1.108 327 S HN 0.047 nan 8.310 nan 0.000 0.525 328 F N 4.947 124.871 119.950 -0.044 0.000 2.411 328 F HA 0.256 4.783 4.527 0.000 0.000 0.350 328 F C 1.004 176.736 175.800 -0.113 0.000 1.114 328 F CA -0.584 57.384 58.000 -0.053 0.000 1.135 328 F CB 0.647 39.644 39.000 -0.005 0.000 1.120 328 F HN 0.694 nan 8.300 nan 0.000 0.495 329 Y N 3.205 123.401 120.300 -0.174 0.000 2.265 329 Y HA -0.315 4.235 4.550 -0.000 0.000 0.280 329 Y C 2.035 177.899 175.900 -0.061 0.000 1.222 329 Y CA 1.893 59.827 58.100 -0.276 0.000 1.226 329 Y CB -0.615 37.754 38.460 -0.152 0.000 0.968 329 Y HN 0.644 nan 8.280 nan 0.000 0.540 330 G N -1.056 107.726 108.800 -0.030 0.000 2.484 330 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 330 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 330 G C 1.344 176.236 174.900 -0.014 0.000 1.130 330 G CA 0.848 45.890 45.100 -0.097 0.000 0.784 330 G HN 0.433 nan 8.290 nan 0.000 0.543 331 D N -0.490 119.980 120.400 0.117 0.000 2.312 331 D HA -0.012 4.628 4.640 -0.000 0.000 0.211 331 D C 1.767 178.238 176.300 0.285 0.000 0.964 331 D CA 0.095 54.213 54.000 0.197 0.000 0.877 331 D CB -0.068 40.888 40.800 0.260 0.000 0.924 331 D HN 0.215 nan 8.370 nan 0.000 0.515 332 F N 0.639 120.528 119.950 -0.102 0.000 2.187 332 F HA 0.200 4.727 4.527 -0.000 0.000 0.295 332 F C 1.228 176.946 175.800 -0.136 0.000 1.091 332 F CA -0.034 57.904 58.000 -0.104 0.000 1.308 332 F CB -0.564 38.378 39.000 -0.097 0.000 1.030 332 F HN -0.147 nan 8.300 nan 0.000 0.487 333 I N 2.147 122.705 120.570 -0.020 0.000 2.587 333 I HA 0.043 4.213 4.170 -0.000 0.000 0.284 333 I C -1.668 174.428 176.117 -0.036 0.000 1.134 333 I CA -1.566 59.691 61.300 -0.072 0.000 1.410 333 I CB 0.089 37.988 38.000 -0.169 0.000 1.392 333 I HN -0.069 nan 8.210 nan 0.000 0.545 334 P HA 0.173 nan 4.420 nan 0.000 0.282 334 P C -1.498 175.788 177.300 -0.024 0.000 1.286 334 P CA -0.342 62.744 63.100 -0.024 0.000 0.777 334 P CB 0.396 32.081 31.700 -0.024 0.000 1.184 335 D N -2.145 118.243 120.400 -0.020 0.000 2.619 335 D HA 0.230 4.870 4.640 -0.000 0.000 0.241 335 D C -0.132 176.150 176.300 -0.030 0.000 1.087 335 D CA -0.696 53.292 54.000 -0.020 0.000 0.851 335 D CB 1.411 42.212 40.800 0.001 0.000 1.474 335 D HN 0.349 nan 8.370 nan 0.000 0.478 336 E N -0.413 119.747 120.200 -0.067 0.000 2.399 336 E HA 0.000 4.350 4.350 -0.000 0.000 0.205 336 E C 1.025 177.577 176.600 -0.080 0.000 0.906 336 E CA -0.145 56.199 56.400 -0.092 0.000 0.998 336 E CB 0.316 29.932 29.700 -0.141 0.000 1.002 336 E HN 0.487 nan 8.360 nan 0.000 0.501 337 H N 0.693 119.764 119.070 0.002 0.000 2.436 337 H HA 0.093 4.649 4.556 -0.000 0.000 0.294 337 H C 0.864 176.193 175.328 0.001 0.000 1.048 337 H CA 0.503 56.553 56.048 0.002 0.000 1.353 337 H CB 0.255 30.018 29.762 0.002 0.000 1.414 337 H HN 0.061 nan 8.280 nan 0.000 0.536 338 L N 3.462 124.766 121.223 0.134 0.000 2.462 338 L HA 0.077 4.417 4.340 -0.000 0.000 0.272 338 L C -1.919 174.979 176.870 0.047 0.000 1.166 338 L CA -1.580 53.305 54.840 0.075 0.000 0.880 338 L CB 0.397 42.487 42.059 0.052 0.000 1.142 338 L HN -0.121 nan 8.230 nan 0.000 0.473 339 P HA 0.040 nan 4.420 nan 0.000 0.275 339 P C -0.660 176.650 177.300 0.017 0.000 1.276 339 P CA -0.276 62.839 63.100 0.025 0.000 0.782 339 P CB 0.566 32.279 31.700 0.021 0.000 0.851 340 S N 4.302 120.010 115.700 0.012 0.000 2.531 340 S HA 0.175 4.645 4.470 -0.000 0.000 0.279 340 S C -1.518 173.085 174.600 0.006 0.000 1.305 340 S CA -0.996 57.208 58.200 0.007 0.000 1.058 340 S CB 0.341 63.543 63.200 0.003 0.000 0.899 340 S HN 0.240 nan 8.310 nan 0.000 0.493 341 P HA -0.277 nan 4.420 nan 0.000 0.233 341 P C 1.255 178.557 177.300 0.003 0.000 1.149 341 P CA 1.357 64.459 63.100 0.003 0.000 0.903 341 P CB -0.214 31.487 31.700 0.001 0.000 0.763 342 V N -0.619 119.297 119.914 0.003 0.000 2.515 342 V HA -0.206 3.914 4.120 -0.000 0.000 0.250 342 V C 1.783 177.880 176.094 0.005 0.000 1.058 342 V CA 2.233 64.535 62.300 0.004 0.000 1.064 342 V CB -0.979 30.847 31.823 0.004 0.000 0.675 342 V HN 0.172 nan 8.190 nan 0.000 0.461 343 D N 0.661 121.065 120.400 0.007 0.000 2.213 343 D HA 0.019 4.659 4.640 -0.000 0.000 0.205 343 D C 2.211 178.515 176.300 0.008 0.000 0.961 343 D CA 1.355 55.361 54.000 0.009 0.000 0.853 343 D CB -0.237 40.571 40.800 0.013 0.000 0.967 343 D HN 0.439 nan 8.370 nan 0.000 0.496 344 A N 1.267 124.090 122.820 0.006 0.000 1.930 344 A HA 0.069 4.389 4.320 -0.000 0.000 0.217 344 A C 2.309 179.894 177.584 0.001 0.000 1.175 344 A CA 1.787 53.826 52.037 0.004 0.000 0.627 344 A CB -0.587 18.415 19.000 0.004 0.000 0.815 344 A HN 0.218 nan 8.150 nan 0.000 0.443 345 A N -0.868 121.952 122.820 0.001 0.000 1.902 345 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 345 A C 2.305 179.888 177.584 -0.002 0.000 1.181 345 A CA 2.290 54.326 52.037 -0.001 0.000 0.623 345 A CB -1.263 17.736 19.000 -0.001 0.000 0.818 345 A HN 0.413 nan 8.150 nan 0.000 0.443 346 T N -0.266 114.288 114.554 -0.000 0.000 2.595 346 T HA -0.203 4.147 4.350 -0.000 0.000 0.264 346 T C 2.102 176.800 174.700 -0.004 0.000 1.058 346 T CA 1.919 64.018 62.100 -0.001 0.000 1.166 346 T CB -0.373 68.498 68.868 0.005 0.000 0.863 346 T HN 0.500 nan 8.240 nan 0.000 0.415 347 Q N 1.070 120.870 119.800 -0.001 0.000 2.118 347 Q HA -0.180 4.160 4.340 -0.000 0.000 0.211 347 Q C 2.611 178.607 176.000 -0.007 0.000 0.998 347 Q CA 2.228 58.029 55.803 -0.003 0.000 0.872 347 Q CB -0.683 28.056 28.738 0.001 0.000 0.925 347 Q HN 0.718 nan 8.270 nan 0.000 0.414 348 S N -0.378 115.318 115.700 -0.007 0.000 2.351 348 S HA -0.181 4.289 4.470 -0.000 0.000 0.220 348 S C 1.936 176.527 174.600 -0.014 0.000 1.035 348 S CA 1.294 59.489 58.200 -0.009 0.000 1.031 348 S CB -0.736 62.459 63.200 -0.007 0.000 0.928 348 S HN 0.389 nan 8.310 nan 0.000 0.433 349 L N 0.270 121.484 121.223 -0.015 0.000 2.017 349 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 349 L C 2.798 179.651 176.870 -0.029 0.000 1.073 349 L CA 1.372 56.199 54.840 -0.021 0.000 0.745 349 L CB -0.512 41.534 42.059 -0.021 0.000 0.894 349 L HN 0.337 nan 8.230 nan 0.000 0.432 350 L N -0.939 120.267 121.223 -0.028 0.000 2.012 350 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 350 L C 2.747 179.597 176.870 -0.033 0.000 1.073 350 L CA 1.777 56.596 54.840 -0.035 0.000 0.748 350 L CB -0.375 41.669 42.059 -0.025 0.000 0.891 350 L HN 0.123 nan 8.230 nan 0.000 0.431 351 S N -1.002 114.684 115.700 -0.023 0.000 2.356 351 S HA -0.203 4.267 4.470 -0.000 0.000 0.223 351 S C 1.861 176.446 174.600 -0.024 0.000 1.032 351 S CA 1.613 59.800 58.200 -0.021 0.000 1.005 351 S CB -0.184 63.007 63.200 -0.015 0.000 0.867 351 S HN 0.539 nan 8.310 nan 0.000 0.449 352 E N -0.030 120.156 120.200 -0.023 0.000 2.107 352 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 352 E C 2.131 178.713 176.600 -0.030 0.000 0.982 352 E CA 0.973 57.359 56.400 -0.023 0.000 0.809 352 E CB -0.068 29.620 29.700 -0.019 0.000 0.756 352 E HN 0.354 nan 8.360 nan 0.000 0.459 353 E N 0.871 121.049 120.200 -0.038 0.000 2.046 353 E HA -0.075 4.275 4.350 -0.000 0.000 0.190 353 E C 1.964 178.529 176.600 -0.058 0.000 0.982 353 E CA 0.632 57.002 56.400 -0.050 0.000 0.800 353 E CB -0.040 29.624 29.700 -0.060 0.000 0.756 353 E HN 0.140 nan 8.360 nan 0.000 0.449 354 L N 0.280 121.470 121.223 -0.056 0.000 2.083 354 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 354 L C 2.363 179.205 176.870 -0.046 0.000 1.083 354 L CA 1.298 56.105 54.840 -0.056 0.000 0.752 354 L CB -0.235 41.796 42.059 -0.046 0.000 0.899 354 L HN 0.209 nan 8.230 nan 0.000 0.433 355 E N -0.057 120.121 120.200 -0.036 0.000 2.150 355 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 355 E C 2.135 178.717 176.600 -0.031 0.000 0.985 355 E CA 0.882 57.265 56.400 -0.029 0.000 0.814 355 E CB 0.235 29.922 29.700 -0.022 0.000 0.752 355 E HN 0.353 nan 8.360 nan 0.000 0.466 356 K N -0.141 120.238 120.400 -0.036 0.000 2.057 356 K HA -0.072 4.248 4.320 -0.000 0.000 0.206 356 K C 2.110 178.680 176.600 -0.050 0.000 1.050 356 K CA 0.956 57.222 56.287 -0.035 0.000 0.935 356 K CB -0.039 32.441 32.500 -0.033 0.000 0.715 356 K HN 0.052 nan 8.250 nan 0.000 0.439 357 A N 1.724 124.503 122.820 -0.068 0.000 1.873 357 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 357 A C 2.103 179.642 177.584 -0.075 0.000 1.186 357 A CA 1.038 53.017 52.037 -0.096 0.000 0.616 357 A CB -0.690 18.245 19.000 -0.108 0.000 0.823 357 A HN 0.312 nan 8.150 nan 0.000 0.442 358 L N -0.350 120.841 121.223 -0.054 0.000 2.263 358 L HA -0.166 4.174 4.340 -0.000 0.000 0.216 358 L C 2.214 179.066 176.870 -0.030 0.000 1.111 358 L CA 1.737 56.554 54.840 -0.039 0.000 0.773 358 L CB -0.076 41.965 42.059 -0.030 0.000 0.906 358 L HN 0.327 nan 8.230 nan 0.000 0.439 359 S N -0.773 114.909 115.700 -0.029 0.000 2.446 359 S HA 0.017 4.487 4.470 -0.000 0.000 0.225 359 S C 1.251 175.843 174.600 -0.014 0.000 1.016 359 S CA 0.386 58.575 58.200 -0.017 0.000 0.943 359 S CB 0.064 63.256 63.200 -0.013 0.000 0.786 359 S HN 0.305 nan 8.310 nan 0.000 0.508 360 K N 1.581 121.963 120.400 -0.030 0.000 2.627 360 K HA 0.299 4.619 4.320 -0.000 0.000 0.212 360 K C -0.123 176.469 176.600 -0.014 0.000 1.041 360 K CA 0.136 56.411 56.287 -0.020 0.000 1.205 360 K CB -0.267 32.193 32.500 -0.067 0.000 0.936 360 K HN 0.333 nan 8.250 nan 0.000 0.489 361 L N 0.076 121.293 121.223 -0.010 0.000 2.283 361 L HA 0.328 4.668 4.340 -0.000 0.000 0.259 361 L C 0.221 177.095 176.870 0.006 0.000 1.027 361 L CA -0.843 53.996 54.840 -0.001 0.000 0.828 361 L CB 2.060 44.113 42.059 -0.011 0.000 1.380 361 L HN -0.015 nan 8.230 nan 0.000 0.425 362 S N -1.240 114.465 115.700 0.009 0.000 2.562 362 S HA 0.239 4.709 4.470 -0.000 0.000 0.275 362 S C 0.609 175.212 174.600 0.005 0.000 1.281 362 S CA -0.769 57.436 58.200 0.008 0.000 1.045 362 S CB 1.735 64.942 63.200 0.011 0.000 0.962 362 S HN 0.609 nan 8.310 nan 0.000 0.503 363 E N 1.842 122.044 120.200 0.004 0.000 2.085 363 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 363 E C 2.155 178.756 176.600 0.002 0.000 0.994 363 E CA 1.200 57.601 56.400 0.002 0.000 0.801 363 E CB -0.161 29.540 29.700 0.001 0.000 0.743 363 E HN 0.652 nan 8.360 nan 0.000 0.453 364 R N 1.213 121.715 120.500 0.003 0.000 2.171 364 R HA -0.203 4.137 4.340 -0.000 0.000 0.226 364 R C 1.826 178.128 176.300 0.003 0.000 1.113 364 R CA 1.581 57.683 56.100 0.003 0.000 0.887 364 R CB -0.826 29.476 30.300 0.004 0.000 0.830 364 R HN 0.088 nan 8.270 nan 0.000 0.432 365 E N 0.343 120.546 120.200 0.004 0.000 2.478 365 E HA 0.144 4.494 4.350 -0.000 0.000 0.194 365 E C 1.553 178.155 176.600 0.004 0.000 1.045 365 E CA 0.870 57.273 56.400 0.005 0.000 0.868 365 E CB 0.231 29.935 29.700 0.006 0.000 0.885 365 E HN 0.514 nan 8.360 nan 0.000 0.505 366 A N 0.289 123.110 122.820 0.002 0.000 1.911 366 A HA 0.021 4.341 4.320 -0.000 0.000 0.212 366 A C 2.069 179.652 177.584 -0.002 0.000 1.189 366 A CA 0.848 52.884 52.037 -0.001 0.000 0.639 366 A CB -0.295 18.703 19.000 -0.004 0.000 0.839 366 A HN 0.290 nan 8.150 nan 0.000 0.449 367 M N -0.169 119.430 119.600 -0.002 0.000 2.229 367 M HA -0.086 4.394 4.480 -0.000 0.000 0.264 367 M C 1.775 178.074 176.300 -0.000 0.000 1.063 367 M CA 1.412 56.711 55.300 -0.002 0.000 1.114 367 M CB -0.171 32.428 32.600 -0.001 0.000 1.387 367 M HN 0.191 nan 8.290 nan 0.000 0.420 368 V N 1.136 121.050 119.914 0.001 0.000 2.233 368 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 368 V C 2.322 178.417 176.094 0.002 0.000 1.050 368 V CA 1.909 64.210 62.300 0.002 0.000 1.010 368 V CB -0.662 31.163 31.823 0.003 0.000 0.637 368 V HN 0.542 nan 8.190 nan 0.000 0.444 369 L N 0.054 121.278 121.223 0.002 0.000 2.240 369 L HA -0.107 4.233 4.340 -0.000 0.000 0.211 369 L C 2.572 179.443 176.870 0.001 0.000 1.106 369 L CA 1.469 56.311 54.840 0.003 0.000 0.793 369 L CB -0.528 41.534 42.059 0.004 0.000 0.927 369 L HN 0.464 nan 8.230 nan 0.000 0.446 370 K N 0.838 121.238 120.400 -0.001 0.000 2.103 370 K HA -0.116 4.204 4.320 -0.000 0.000 0.204 370 K C 1.923 178.522 176.600 -0.002 0.000 1.052 370 K CA 1.164 57.450 56.287 -0.003 0.000 0.945 370 K CB -0.043 32.453 32.500 -0.006 0.000 0.722 370 K HN 0.271 nan 8.250 nan 0.000 0.443 371 L N 0.273 121.495 121.223 -0.001 0.000 2.127 371 L HA 0.052 4.392 4.340 -0.000 0.000 0.203 371 L C 2.812 179.682 176.870 0.001 0.000 1.080 371 L CA 0.625 55.465 54.840 -0.000 0.000 0.768 371 L CB -0.357 41.701 42.059 -0.000 0.000 0.924 371 L HN 0.134 nan 8.230 nan 0.000 0.444 372 R N 0.883 121.384 120.500 0.002 0.000 2.105 372 R HA -0.161 4.179 4.340 -0.000 0.000 0.239 372 R C 2.141 178.444 176.300 0.004 0.000 1.135 372 R CA 1.653 57.755 56.100 0.003 0.000 0.967 372 R CB -0.017 30.285 30.300 0.004 0.000 0.861 372 R HN 0.295 nan 8.270 nan 0.000 0.442 373 K N -2.512 117.890 120.400 0.004 0.000 2.168 373 K HA 0.188 4.508 4.320 -0.000 0.000 0.201 373 K C 1.967 178.570 176.600 0.005 0.000 1.049 373 K CA 0.976 57.266 56.287 0.005 0.000 0.974 373 K CB 0.001 32.505 32.500 0.006 0.000 0.792 373 K HN 0.259 nan 8.250 nan 0.000 0.463 374 G N 0.737 109.539 108.800 0.002 0.000 2.453 374 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.215 374 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.215 374 G C 1.396 176.296 174.900 0.001 0.000 1.147 374 G CA 0.179 45.279 45.100 0.001 0.000 0.802 374 G HN 0.020 nan 8.290 nan 0.000 0.535 375 L N -0.631 120.592 121.223 0.001 0.000 2.168 375 L HA 0.414 4.754 4.340 -0.000 0.000 0.203 375 L C 2.351 179.221 176.870 0.001 0.000 1.078 375 L CA 0.732 55.573 54.840 0.000 0.000 0.780 375 L CB 0.114 42.173 42.059 -0.000 0.000 0.939 375 L HN 0.160 nan 8.230 nan 0.000 0.451 376 I N -2.450 118.121 120.570 0.002 0.000 3.632 376 I HA 0.152 4.322 4.170 -0.000 0.000 0.246 376 I C -0.386 175.733 176.117 0.004 0.000 1.125 376 I CA -0.023 61.279 61.300 0.003 0.000 1.519 376 I CB 0.779 38.780 38.000 0.002 0.000 1.555 376 I HN 0.053 nan 8.210 nan 0.000 0.452 377 D N -0.421 119.982 120.400 0.004 0.000 2.717 377 D HA 0.365 5.005 4.640 -0.000 0.000 0.223 377 D C -0.166 176.138 176.300 0.006 0.000 1.240 377 D CA 0.056 54.060 54.000 0.005 0.000 0.801 377 D CB 1.826 42.629 40.800 0.005 0.000 1.556 377 D HN 0.261 nan 8.370 nan 0.000 0.462 385 E N 0.208 120.412 120.200 0.005 0.000 2.110 385 E HA -0.215 4.135 4.350 -0.000 0.000 0.225 385 E C 2.616 179.219 176.600 0.005 0.000 1.063 385 E CA 3.960 60.364 56.400 0.006 0.000 0.906 385 E CB -1.617 28.087 29.700 0.006 0.000 0.795 385 E HN 1.887 nan 8.360 nan 0.000 0.479 386 V N 0.605 120.522 119.914 0.004 0.000 2.231 386 V HA 0.013 4.133 4.120 -0.000 0.000 0.248 386 V C 2.920 179.016 176.094 0.004 0.000 1.054 386 V CA 3.749 66.052 62.300 0.004 0.000 1.015 386 V CB -1.305 30.520 31.823 0.004 0.000 0.638 386 V HN 0.741 nan 8.190 nan 0.000 0.444 387 G N -1.296 107.506 108.800 0.004 0.000 2.679 387 G HA2 0.191 4.151 3.960 -0.000 0.000 0.212 387 G HA3 0.191 4.151 3.960 -0.000 0.000 0.212 387 G C 1.576 176.478 174.900 0.003 0.000 1.137 387 G CA 1.313 46.415 45.100 0.003 0.000 0.787 387 G HN 1.041 nan 8.290 nan 0.000 0.534 388 A N -0.147 122.676 122.820 0.004 0.000 1.930 388 A HA 0.518 4.838 4.320 -0.000 0.000 0.215 388 A C 1.240 178.826 177.584 0.004 0.000 1.176 388 A CA 1.018 53.057 52.037 0.004 0.000 0.632 388 A CB -0.436 18.566 19.000 0.005 0.000 0.819 388 A HN 0.706 nan 8.150 nan 0.000 0.445 389 F N -2.101 117.851 119.950 0.004 0.000 2.404 389 F HA 0.542 5.069 4.527 -0.000 0.000 0.339 389 F C 1.372 177.173 175.800 0.003 0.000 1.105 389 F CA -1.435 56.567 58.000 0.003 0.000 1.087 389 F CB -0.794 38.208 39.000 0.004 0.000 1.143 389 F HN 0.558 nan 8.300 nan 0.000 0.491 390 F N 1.380 121.332 119.950 0.003 0.000 2.014 390 F HA 0.153 4.680 4.527 -0.000 0.000 0.299 390 F C 2.158 177.960 175.800 0.002 0.000 1.224 390 F CA 2.688 60.689 58.000 0.002 0.000 1.200 390 F CB -1.204 37.797 39.000 0.002 0.000 0.948 390 F HN 0.909 nan 8.300 nan 0.000 0.520 391 G N -0.817 107.984 108.800 0.002 0.000 2.559 391 G HA2 0.320 4.280 3.960 -0.000 0.000 0.209 391 G HA3 0.320 4.280 3.960 -0.000 0.000 0.209 391 G C 0.584 175.486 174.900 0.003 0.000 1.151 391 G CA 0.710 45.812 45.100 0.002 0.000 0.824 391 G HN 0.639 nan 8.290 nan 0.000 0.543 392 V N 2.971 122.887 119.914 0.003 0.000 2.493 392 V HA 0.147 4.267 4.120 -0.000 0.000 0.292 392 V C 1.072 177.168 176.094 0.003 0.000 1.016 392 V CA -0.128 62.173 62.300 0.003 0.000 1.097 392 V CB 0.233 32.059 31.823 0.004 0.000 0.947 392 V HN 0.202 nan 8.190 nan 0.000 0.479 393 T N 5.740 120.296 114.554 0.003 0.000 2.616 393 T HA 0.014 4.364 4.350 -0.000 0.000 0.327 393 T C 1.519 176.221 174.700 0.004 0.000 1.049 393 T CA -0.144 61.958 62.100 0.003 0.000 1.022 393 T CB 0.239 69.108 68.868 0.003 0.000 1.009 393 T HN 0.744 nan 8.240 nan 0.000 0.535 394 R N 1.016 121.518 120.500 0.004 0.000 2.097 394 R HA -0.119 4.221 4.340 -0.000 0.000 0.236 394 R C 2.456 178.759 176.300 0.005 0.000 1.135 394 R CA 1.878 57.981 56.100 0.005 0.000 0.934 394 R CB -0.566 29.737 30.300 0.004 0.000 0.846 394 R HN 0.696 nan 8.270 nan 0.000 0.431 395 E N 0.128 120.331 120.200 0.005 0.000 2.160 395 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 395 E C 2.103 178.706 176.600 0.005 0.000 0.991 395 E CA 0.951 57.354 56.400 0.005 0.000 0.810 395 E CB -0.152 29.550 29.700 0.004 0.000 0.742 395 E HN 0.290 nan 8.360 nan 0.000 0.466 396 R N 0.230 120.733 120.500 0.005 0.000 2.193 396 R HA 0.016 4.356 4.340 -0.000 0.000 0.213 396 R C 2.259 178.563 176.300 0.006 0.000 1.055 396 R CA 0.228 56.332 56.100 0.006 0.000 0.995 396 R CB 0.029 30.332 30.300 0.005 0.000 0.893 396 R HN 0.153 nan 8.270 nan 0.000 0.459 397 I N 1.124 121.698 120.570 0.006 0.000 2.045 397 I HA -0.372 3.798 4.170 -0.000 0.000 0.233 397 I C 2.752 178.874 176.117 0.008 0.000 1.048 397 I CA 1.419 62.723 61.300 0.007 0.000 1.313 397 I CB -0.507 37.497 38.000 0.006 0.000 1.043 397 I HN 0.160 nan 8.210 nan 0.000 0.393 398 R N 1.424 121.929 120.500 0.008 0.000 2.119 398 R HA -0.248 4.092 4.340 -0.000 0.000 0.246 398 R C 1.927 178.233 176.300 0.010 0.000 1.146 398 R CA 1.836 57.941 56.100 0.009 0.000 0.962 398 R CB -1.000 29.305 30.300 0.008 0.000 0.863 398 R HN 0.474 nan 8.270 nan 0.000 0.442 399 Q N 0.745 120.551 119.800 0.009 0.000 1.956 399 Q HA -0.133 4.207 4.340 -0.000 0.000 0.208 399 Q C 2.453 178.459 176.000 0.011 0.000 0.998 399 Q CA 2.212 58.020 55.803 0.009 0.000 0.855 399 Q CB -0.360 28.382 28.738 0.008 0.000 0.928 399 Q HN 0.496 nan 8.270 nan 0.000 0.418 400 I N 0.458 121.034 120.570 0.011 0.000 2.286 400 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 400 I C 2.529 178.654 176.117 0.013 0.000 1.104 400 I CA 0.777 62.085 61.300 0.012 0.000 1.397 400 I CB -0.509 37.497 38.000 0.010 0.000 1.072 400 I HN 0.386 nan 8.210 nan 0.000 0.417 401 E N 1.908 122.115 120.200 0.012 0.000 2.045 401 E HA -0.307 4.043 4.350 -0.000 0.000 0.212 401 E C 1.643 178.253 176.600 0.017 0.000 1.039 401 E CA 2.352 58.760 56.400 0.013 0.000 0.860 401 E CB -0.068 29.639 29.700 0.012 0.000 0.776 401 E HN 0.464 nan 8.360 nan 0.000 0.467 402 N N 0.000 118.711 118.700 0.018 0.000 2.457 402 N HA -0.052 4.688 4.740 -0.000 0.000 0.180 402 N C 1.376 176.902 175.510 0.027 0.000 1.050 402 N CA 0.586 53.650 53.050 0.023 0.000 0.906 402 N CB 0.064 38.563 38.487 0.021 0.000 0.968 402 N HN 0.096 nan 8.380 nan 0.000 0.445 403 K N 0.481 120.895 120.400 0.024 0.000 2.308 403 K HA 0.293 4.613 4.320 -0.000 0.000 0.197 403 K C 1.616 178.237 176.600 0.035 0.000 1.049 403 K CA 0.230 56.533 56.287 0.028 0.000 0.991 403 K CB 0.228 32.741 32.500 0.021 0.000 0.836 403 K HN 0.090 nan 8.250 nan 0.000 0.500 404 A N 0.959 123.796 122.820 0.028 0.000 1.898 404 A HA -0.042 4.278 4.320 -0.000 0.000 0.214 404 A C 2.176 179.777 177.584 0.027 0.000 1.183 404 A CA 0.807 52.860 52.037 0.028 0.000 0.622 404 A CB -0.487 18.524 19.000 0.017 0.000 0.824 404 A HN 0.160 nan 8.150 nan 0.000 0.444 405 L N -0.822 120.416 121.223 0.025 0.000 2.127 405 L HA -0.190 4.150 4.340 -0.000 0.000 0.211 405 L C 2.707 179.604 176.870 0.046 0.000 1.089 405 L CA 1.534 56.389 54.840 0.025 0.000 0.757 405 L CB -0.152 41.922 42.059 0.025 0.000 0.899 405 L HN 0.317 nan 8.230 nan 0.000 0.434 406 R N -1.287 119.253 120.500 0.067 0.000 2.140 406 R HA -0.008 4.332 4.340 -0.000 0.000 0.213 406 R C 2.139 178.535 176.300 0.161 0.000 1.059 406 R CA 0.430 56.601 56.100 0.119 0.000 1.000 406 R CB -0.039 30.326 30.300 0.109 0.000 0.910 406 R HN 0.059 nan 8.270 nan 0.000 0.455 407 K N 1.233 121.705 120.400 0.119 0.000 2.211 407 K HA -0.085 4.235 4.320 -0.000 0.000 0.203 407 K C 2.046 178.718 176.600 0.120 0.000 1.050 407 K CA 0.902 57.281 56.287 0.152 0.000 0.945 407 K CB -0.197 32.374 32.500 0.120 0.000 0.732 407 K HN 0.307 nan 8.250 nan 0.000 0.451 408 L N 0.785 122.030 121.223 0.035 0.000 2.141 408 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 408 L C 2.107 178.933 176.870 -0.074 0.000 1.094 408 L CA 1.400 56.200 54.840 -0.066 0.000 0.763 408 L CB -0.264 41.756 42.059 -0.064 0.000 0.908 408 L HN 0.043 nan 8.230 nan 0.000 0.437 409 K N -0.778 119.612 120.400 -0.017 0.000 2.044 409 K HA -0.165 4.155 4.320 -0.000 0.000 0.204 409 K C 2.051 178.529 176.600 -0.202 0.000 1.049 409 K CA 1.286 57.515 56.287 -0.095 0.000 0.945 409 K CB -0.897 31.566 32.500 -0.062 0.000 0.724 409 K HN 0.261 nan 8.250 nan 0.000 0.440 410 Y N 2.350 122.667 120.300 0.027 0.000 2.224 410 Y HA -0.226 4.324 4.550 -0.000 0.000 0.289 410 Y C 2.679 178.641 175.900 0.102 0.000 1.146 410 Y CA 2.054 60.186 58.100 0.053 0.000 1.182 410 Y CB -0.172 38.318 38.460 0.050 0.000 0.983 410 Y HN 0.357 nan 8.280 nan 0.000 0.524 411 H N -1.543 117.568 119.070 0.068 0.000 2.548 411 H HA 0.000 4.556 4.556 -0.000 0.000 0.268 411 H C 1.072 176.378 175.328 -0.036 0.000 0.975 411 H CA 0.760 56.827 56.048 0.032 0.000 1.195 411 H CB 0.274 30.065 29.762 0.049 0.000 1.397 411 H HN 0.228 nan 8.280 nan 0.000 0.572 412 E N 1.153 121.316 120.200 -0.062 0.000 2.418 412 E HA -0.044 4.306 4.350 -0.000 0.000 0.197 412 E C 2.083 178.609 176.600 -0.123 0.000 1.026 412 E CA 0.435 56.766 56.400 -0.114 0.000 0.862 412 E CB 0.260 29.865 29.700 -0.158 0.000 0.799 412 E HN 0.518 nan 8.360 nan 0.000 0.518 413 S N 1.037 116.631 115.700 -0.177 0.000 2.371 413 S HA -0.079 4.391 4.470 -0.000 0.000 0.224 413 S C 1.870 176.421 174.600 -0.082 0.000 1.029 413 S CA 0.763 58.825 58.200 -0.229 0.000 0.978 413 S CB -0.012 62.900 63.200 -0.480 0.000 0.833 413 S HN 0.318 nan 8.310 nan 0.000 0.466 414 R N 1.302 121.798 120.500 -0.006 0.000 2.055 414 R HA 0.044 4.384 4.340 -0.000 0.000 0.228 414 R C 0.428 176.743 176.300 0.024 0.000 1.143 414 R CA 1.088 57.210 56.100 0.037 0.000 0.945 414 R CB -1.202 29.143 30.300 0.075 0.000 0.841 414 R HN 0.149 nan 8.270 nan 0.000 0.429 415 T N 3.158 117.735 114.554 0.040 0.000 3.316 415 T HA 0.186 4.536 4.350 -0.000 0.000 0.341 415 T C 0.049 174.739 174.700 -0.015 0.000 1.397 415 T CA -0.370 61.742 62.100 0.020 0.000 1.085 415 T CB 0.378 69.270 68.868 0.041 0.000 1.160 415 T HN 0.051 nan 8.240 nan 0.000 0.694 416 R N 3.283 123.765 120.500 -0.029 0.000 2.998 416 R HA 0.000 4.340 4.340 -0.000 0.000 0.274 416 R C 0.943 177.208 176.300 -0.058 0.000 1.393 416 R CA 0.474 56.543 56.100 -0.053 0.000 0.983 416 R CB -0.104 30.173 30.300 -0.038 0.000 1.111 416 R HN 0.667 nan 8.270 nan 0.000 0.514 417 K N 0.764 121.118 120.400 -0.077 0.000 2.325 417 K HA 0.068 4.388 4.320 -0.000 0.000 0.203 417 K C 1.556 178.089 176.600 -0.111 0.000 1.128 417 K CA 0.174 56.415 56.287 -0.077 0.000 0.931 417 K CB 0.269 32.730 32.500 -0.066 0.000 1.125 417 K HN 0.136 nan 8.250 nan 0.000 0.487 418 L N 1.352 122.484 121.223 -0.152 0.000 2.567 418 L HA 0.091 4.431 4.340 -0.000 0.000 0.225 418 L C 2.059 178.730 176.870 -0.331 0.000 1.119 418 L CA 0.261 54.967 54.840 -0.223 0.000 0.871 418 L CB 0.103 42.025 42.059 -0.229 0.000 1.036 418 L HN 0.052 nan 8.230 nan 0.000 0.459 419 R N 0.549 120.904 120.500 -0.242 0.000 2.082 419 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 419 R C -0.084 176.067 176.300 -0.248 0.000 1.136 419 R CA 1.016 56.968 56.100 -0.247 0.000 0.935 419 R CB -1.200 29.028 30.300 -0.120 0.000 0.842 419 R HN 0.377 nan 8.270 nan 0.000 0.430 420 D N 1.733 122.061 120.400 -0.120 0.000 2.402 420 D HA -0.037 4.603 4.640 -0.000 0.000 0.268 420 D C -0.276 175.965 176.300 -0.098 0.000 1.294 420 D CA 0.195 54.177 54.000 -0.031 0.000 0.945 420 D CB -0.595 40.197 40.800 -0.013 0.000 1.112 420 D HN -0.071 nan 8.370 nan 0.000 0.517 421 F N 1.839 121.778 119.950 -0.018 0.000 2.549 421 F HA -0.114 4.413 4.527 -0.000 0.000 0.400 421 F C 1.541 177.333 175.800 -0.014 0.000 1.011 421 F CA 0.218 58.209 58.000 -0.017 0.000 1.148 421 F CB 0.439 39.430 39.000 -0.014 0.000 0.993 421 F HN 0.398 nan 8.300 nan 0.000 0.540 422 L N 2.298 123.467 121.223 -0.090 0.000 2.313 422 L HA -0.044 4.296 4.340 -0.000 0.000 0.214 422 L C 1.033 177.943 176.870 0.065 0.000 1.119 422 L CA 1.006 55.836 54.840 -0.018 0.000 0.809 422 L CB -0.427 41.584 42.059 -0.081 0.000 0.933 422 L HN 0.596 nan 8.230 nan 0.000 0.449 423 D N 0.000 120.497 120.400 0.162 0.000 6.856 423 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 423 D CA 0.000 54.093 54.000 0.156 0.000 0.868 423 D CB 0.000 40.876 40.800 0.127 0.000 0.688 423 D HN 0.000 nan 8.370 nan 0.000 0.683