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 2be5_1_F 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 0.000 176.592 176.600 -0.014 0.000 0.988 74 K CA 0.000 56.279 56.287 -0.013 0.000 0.838 74 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 75 I N 1.770 122.329 120.570 -0.018 0.000 2.336 75 I HA 0.159 4.329 4.170 -0.000 0.000 0.292 75 I C 1.480 177.580 176.117 -0.030 0.000 0.991 75 I CA 0.041 61.330 61.300 -0.018 0.000 1.227 75 I CB 1.870 39.861 38.000 -0.015 0.000 1.366 75 I HN 0.435 nan 8.210 nan 0.000 0.466 76 S N 3.295 118.979 115.700 -0.027 0.000 2.353 76 S HA -0.182 4.288 4.470 -0.000 0.000 0.222 76 S C 1.888 176.452 174.600 -0.059 0.000 1.035 76 S CA 2.472 60.650 58.200 -0.036 0.000 1.025 76 S CB -0.024 63.165 63.200 -0.019 0.000 0.902 76 S HN 0.837 nan 8.310 nan 0.000 0.440 77 T N 2.261 116.777 114.554 -0.062 0.000 2.570 77 T HA -0.190 4.160 4.350 -0.000 0.000 0.266 77 T C 2.178 176.797 174.700 -0.134 0.000 1.071 77 T CA 2.118 64.150 62.100 -0.113 0.000 1.172 77 T CB -1.079 67.701 68.868 -0.146 0.000 0.864 77 T HN 0.677 nan 8.240 nan 0.000 0.421 78 S N 1.885 117.519 115.700 -0.110 0.000 2.372 78 S HA -0.263 4.207 4.470 -0.000 0.000 0.227 78 S C 1.865 176.393 174.600 -0.120 0.000 1.044 78 S CA 1.582 59.718 58.200 -0.106 0.000 1.050 78 S CB -0.779 62.379 63.200 -0.070 0.000 0.901 78 S HN 0.453 nan 8.310 nan 0.000 0.447 79 D N 2.317 122.653 120.400 -0.107 0.000 2.084 79 D HA -0.031 4.609 4.640 -0.000 0.000 0.194 79 D C -0.650 175.530 176.300 -0.200 0.000 0.990 79 D CA 1.352 55.282 54.000 -0.116 0.000 0.826 79 D CB -1.105 39.643 40.800 -0.086 0.000 0.971 79 D HN 0.279 nan 8.370 nan 0.000 0.453 80 P HA -0.092 nan 4.420 nan 0.000 0.216 80 P C 2.006 178.980 177.300 -0.543 0.000 1.153 80 P CA 0.846 63.655 63.100 -0.484 0.000 0.848 80 P CB -0.034 31.469 31.700 -0.329 0.000 0.787 81 V N 0.882 120.667 119.914 -0.215 0.000 2.231 81 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 81 V C 2.674 178.666 176.094 -0.170 0.000 1.054 81 V CA 2.223 64.477 62.300 -0.076 0.000 1.015 81 V CB -1.437 30.315 31.823 -0.118 0.000 0.638 81 V HN 0.033 nan 8.190 nan 0.000 0.444 82 R N -0.589 119.747 120.500 -0.273 0.000 2.083 82 R HA -0.189 4.151 4.340 -0.000 0.000 0.237 82 R C 2.541 178.570 176.300 -0.451 0.000 1.137 82 R CA 1.669 57.462 56.100 -0.512 0.000 0.951 82 R CB -0.480 29.611 30.300 -0.348 0.000 0.851 82 R HN 0.557 nan 8.270 nan 0.000 0.434 83 Q N -0.209 119.421 119.800 -0.282 0.000 1.998 83 Q HA -0.234 4.106 4.340 -0.000 0.000 0.209 83 Q C 2.080 177.994 176.000 -0.144 0.000 1.002 83 Q CA 2.323 57.991 55.803 -0.224 0.000 0.858 83 Q CB -0.221 28.268 28.738 -0.416 0.000 0.932 83 Q HN 0.513 nan 8.270 nan 0.000 0.416 84 Y N -0.449 119.833 120.300 -0.029 0.000 2.365 84 Y HA 0.013 4.563 4.550 -0.000 0.000 0.293 84 Y C 2.206 178.099 175.900 -0.012 0.000 1.119 84 Y CA 0.183 58.280 58.100 -0.005 0.000 1.203 84 Y CB -0.672 37.786 38.460 -0.002 0.000 1.026 84 Y HN 0.001 nan 8.280 nan 0.000 0.549 85 L N -0.280 121.028 121.223 0.142 0.000 2.131 85 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 85 L C 2.420 179.320 176.870 0.049 0.000 1.092 85 L CA 1.314 56.183 54.840 0.048 0.000 0.759 85 L CB -0.629 41.399 42.059 -0.050 0.000 0.903 85 L HN 0.372 nan 8.230 nan 0.000 0.435 86 H N -0.148 118.952 119.070 0.050 0.000 2.326 86 H HA -0.142 4.414 4.556 -0.000 0.000 0.301 86 H C 2.199 177.551 175.328 0.039 0.000 1.081 86 H CA 1.389 57.455 56.048 0.029 0.000 1.334 86 H CB -0.006 29.759 29.762 0.005 0.000 1.385 86 H HN 0.296 nan 8.280 nan 0.000 0.504 87 E N 0.219 120.530 120.200 0.184 0.000 2.106 87 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 87 E C 2.307 178.974 176.600 0.111 0.000 0.984 87 E CA 0.709 57.185 56.400 0.127 0.000 0.806 87 E CB -0.104 29.665 29.700 0.116 0.000 0.750 87 E HN 0.376 nan 8.360 nan 0.000 0.458 88 I N -0.143 120.497 120.570 0.116 0.000 2.315 88 I HA -0.147 4.023 4.170 -0.000 0.000 0.248 88 I C 2.372 178.539 176.117 0.082 0.000 1.117 88 I CA 1.151 62.506 61.300 0.092 0.000 1.404 88 I CB -0.470 37.580 38.000 0.084 0.000 1.071 88 I HN 0.151 nan 8.210 nan 0.000 0.419 89 G N 0.061 108.918 108.800 0.095 0.000 2.450 89 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 89 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 89 G C 1.638 176.582 174.900 0.073 0.000 1.130 89 G CA 0.530 45.683 45.100 0.089 0.000 0.760 89 G HN 0.445 nan 8.290 nan 0.000 0.557 90 Q N -0.875 118.970 119.800 0.076 0.000 2.376 90 Q HA 0.176 4.516 4.340 -0.000 0.000 0.206 90 Q C 0.570 176.602 176.000 0.054 0.000 0.921 90 Q CA 0.609 56.446 55.803 0.056 0.000 0.911 90 Q CB 0.902 29.671 28.738 0.052 0.000 1.032 90 Q HN 0.472 nan 8.270 nan 0.000 0.510 91 V N -1.523 118.429 119.914 0.064 0.000 2.546 91 V HA 0.431 4.551 4.120 -0.000 0.000 0.260 91 V C -3.040 173.089 176.094 0.058 0.000 0.933 91 V CA -2.268 60.068 62.300 0.061 0.000 0.994 91 V CB 0.404 32.275 31.823 0.080 0.000 1.160 91 V HN -0.116 nan 8.190 nan 0.000 0.523 92 P HA 0.416 nan 4.420 nan 0.000 0.276 92 P C -0.228 177.096 177.300 0.041 0.000 1.244 92 P CA -0.377 62.752 63.100 0.049 0.000 0.801 92 P CB 1.142 32.870 31.700 0.047 0.000 1.006 93 L N 2.269 123.516 121.223 0.040 0.000 2.305 93 L HA 0.267 4.607 4.340 -0.000 0.000 0.281 93 L C 0.868 177.758 176.870 0.034 0.000 1.085 93 L CA -0.779 54.079 54.840 0.030 0.000 0.813 93 L CB 0.560 42.633 42.059 0.023 0.000 1.157 93 L HN 0.358 nan 8.230 nan 0.000 0.436 94 L N 2.593 123.832 121.223 0.027 0.000 2.483 94 L HA -0.045 4.295 4.340 -0.000 0.000 0.275 94 L C 1.557 178.452 176.870 0.041 0.000 1.220 94 L CA 0.250 55.108 54.840 0.031 0.000 0.833 94 L CB 1.111 43.184 42.059 0.024 0.000 1.102 94 L HN 0.730 nan 8.230 nan 0.000 0.490 95 T N 3.605 118.186 114.554 0.045 0.000 2.624 95 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 95 T C 1.429 176.167 174.700 0.063 0.000 1.041 95 T CA 2.246 64.379 62.100 0.054 0.000 1.159 95 T CB -0.207 68.691 68.868 0.050 0.000 0.863 95 T HN 0.511 nan 8.240 nan 0.000 0.434 96 L N -0.201 121.056 121.223 0.057 0.000 2.416 96 L HA 0.171 4.511 4.340 -0.000 0.000 0.188 96 L C 2.688 179.598 176.870 0.066 0.000 1.145 96 L CA 0.004 54.885 54.840 0.068 0.000 0.826 96 L CB -0.720 41.375 42.059 0.060 0.000 1.064 96 L HN -0.054 nan 8.230 nan 0.000 0.490 97 E N 1.702 121.930 120.200 0.048 0.000 2.054 97 E HA -0.300 4.050 4.350 -0.000 0.000 0.225 97 E C 1.840 178.457 176.600 0.029 0.000 1.048 97 E CA 2.033 58.454 56.400 0.036 0.000 0.899 97 E CB -0.841 28.872 29.700 0.021 0.000 0.801 97 E HN 0.481 nan 8.360 nan 0.000 0.495 98 E N 0.824 121.033 120.200 0.016 0.000 2.097 98 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 98 E C 2.086 178.688 176.600 0.003 0.000 1.000 98 E CA 1.344 57.743 56.400 -0.002 0.000 0.804 98 E CB -0.181 29.516 29.700 -0.005 0.000 0.740 98 E HN 0.434 nan 8.360 nan 0.000 0.454 99 E N 0.588 120.804 120.200 0.027 0.000 2.106 99 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 99 E C 2.346 178.993 176.600 0.079 0.000 0.984 99 E CA 0.945 57.363 56.400 0.030 0.000 0.806 99 E CB -0.078 29.663 29.700 0.068 0.000 0.750 99 E HN 0.102 nan 8.360 nan 0.000 0.458 100 V N 1.637 121.617 119.914 0.109 0.000 2.295 100 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 100 V C 2.349 178.486 176.094 0.071 0.000 1.049 100 V CA 2.087 64.481 62.300 0.157 0.000 1.024 100 V CB -0.453 31.461 31.823 0.151 0.000 0.648 100 V HN 0.207 nan 8.190 nan 0.000 0.447 101 E N 0.143 120.357 120.200 0.024 0.000 2.021 101 E HA -0.245 4.105 4.350 -0.000 0.000 0.200 101 E C 2.131 178.697 176.600 -0.057 0.000 1.015 101 E CA 2.032 58.417 56.400 -0.026 0.000 0.824 101 E CB -0.328 29.353 29.700 -0.033 0.000 0.762 101 E HN 0.508 nan 8.360 nan 0.000 0.454 102 L N 0.138 121.333 121.223 -0.047 0.000 2.013 102 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 102 L C 2.610 179.443 176.870 -0.062 0.000 1.073 102 L CA 1.252 56.058 54.840 -0.057 0.000 0.753 102 L CB -0.751 41.272 42.059 -0.059 0.000 0.890 102 L HN 0.257 nan 8.230 nan 0.000 0.432 103 A N 0.089 122.897 122.820 -0.021 0.000 1.869 103 A HA -0.308 4.012 4.320 -0.000 0.000 0.218 103 A C 2.464 179.954 177.584 -0.157 0.000 1.203 103 A CA 2.247 54.301 52.037 0.028 0.000 0.638 103 A CB -0.790 18.370 19.000 0.266 0.000 0.831 103 A HN 0.363 nan 8.150 nan 0.000 0.450 104 R N -0.247 120.070 120.500 -0.304 0.000 2.103 104 R HA -0.191 4.149 4.340 -0.000 0.000 0.242 104 R C 2.151 178.241 176.300 -0.350 0.000 1.142 104 R CA 2.041 57.779 56.100 -0.602 0.000 0.960 104 R CB -0.239 29.776 30.300 -0.475 0.000 0.858 104 R HN 0.597 nan 8.270 nan 0.000 0.439 105 K N -0.451 119.830 120.400 -0.199 0.000 2.103 105 K HA -0.052 4.268 4.320 -0.000 0.000 0.204 105 K C 2.036 178.577 176.600 -0.100 0.000 1.052 105 K CA 1.193 57.403 56.287 -0.130 0.000 0.945 105 K CB 0.057 32.506 32.500 -0.084 0.000 0.722 105 K HN 0.033 nan 8.250 nan 0.000 0.443 106 V N 2.001 121.861 119.914 -0.089 0.000 2.295 106 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 106 V C 2.221 178.281 176.094 -0.057 0.000 1.049 106 V CA 1.744 64.013 62.300 -0.052 0.000 1.024 106 V CB -0.360 31.446 31.823 -0.027 0.000 0.648 106 V HN 0.320 nan 8.190 nan 0.000 0.447 107 E N -0.238 119.902 120.200 -0.101 0.000 2.051 107 E HA -0.262 4.088 4.350 -0.000 0.000 0.192 107 E C 2.291 178.848 176.600 -0.072 0.000 0.991 107 E CA 1.387 57.733 56.400 -0.090 0.000 0.799 107 E CB -0.153 29.462 29.700 -0.143 0.000 0.748 107 E HN 0.509 nan 8.360 nan 0.000 0.449 108 E N 0.414 120.546 120.200 -0.112 0.000 2.209 108 E HA -0.120 4.230 4.350 -0.000 0.000 0.196 108 E C 1.889 178.469 176.600 -0.032 0.000 0.993 108 E CA 1.204 57.555 56.400 -0.081 0.000 0.819 108 E CB -0.634 28.993 29.700 -0.122 0.000 0.745 108 E HN 0.299 nan 8.360 nan 0.000 0.477 109 G N 0.716 109.499 108.800 -0.029 0.000 2.421 109 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.216 109 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.216 109 G C 1.662 176.580 174.900 0.030 0.000 1.171 109 G CA 1.051 46.154 45.100 0.004 0.000 0.775 109 G HN 0.369 nan 8.290 nan 0.000 0.543 110 M N 0.116 119.728 119.600 0.019 0.000 2.084 110 M HA -0.094 4.386 4.480 -0.000 0.000 0.259 110 M C 2.516 178.849 176.300 0.054 0.000 1.072 110 M CA 1.857 57.175 55.300 0.030 0.000 1.107 110 M CB -0.250 32.361 32.600 0.018 0.000 1.299 110 M HN 0.119 nan 8.290 nan 0.000 0.413 111 E N 0.372 120.608 120.200 0.061 0.000 2.187 111 E HA -0.223 4.127 4.350 -0.000 0.000 0.199 111 E C 1.904 178.624 176.600 0.200 0.000 1.004 111 E CA 1.576 58.039 56.400 0.106 0.000 0.813 111 E CB -0.371 29.387 29.700 0.097 0.000 0.736 111 E HN 0.682 nan 8.360 nan 0.000 0.468 112 A N 1.226 124.173 122.820 0.213 0.000 1.840 112 A HA -0.096 4.224 4.320 -0.000 0.000 0.214 112 A C 2.315 180.023 177.584 0.206 0.000 1.198 112 A CA 0.880 53.148 52.037 0.384 0.000 0.608 112 A CB -0.670 18.464 19.000 0.223 0.000 0.839 112 A HN 0.144 nan 8.150 nan 0.000 0.443 113 I N -0.114 120.522 120.570 0.109 0.000 2.248 113 I HA -0.341 3.829 4.170 -0.000 0.000 0.248 113 I C 2.460 178.592 176.117 0.025 0.000 1.107 113 I CA 1.781 63.114 61.300 0.055 0.000 1.373 113 I CB -0.375 37.647 38.000 0.037 0.000 1.055 113 I HN 0.366 nan 8.210 nan 0.000 0.418 114 K N 0.654 121.071 120.400 0.029 0.000 2.002 114 K HA -0.149 4.171 4.320 -0.000 0.000 0.209 114 K C 2.082 178.655 176.600 -0.045 0.000 1.048 114 K CA 1.053 57.339 56.287 -0.001 0.000 0.930 114 K CB -0.140 32.368 32.500 0.013 0.000 0.714 114 K HN 0.142 nan 8.250 nan 0.000 0.438 115 K N 1.173 121.528 120.400 -0.075 0.000 2.209 115 K HA -0.073 4.247 4.320 -0.000 0.000 0.204 115 K C 2.094 178.551 176.600 -0.238 0.000 1.048 115 K CA 0.968 57.120 56.287 -0.225 0.000 0.940 115 K CB -0.293 31.896 32.500 -0.518 0.000 0.729 115 K HN 0.205 nan 8.250 nan 0.000 0.451 116 L N 0.694 121.836 121.223 -0.135 0.000 2.072 116 L HA -0.130 4.210 4.340 -0.000 0.000 0.205 116 L C 2.261 179.077 176.870 -0.091 0.000 1.079 116 L CA 0.981 55.763 54.840 -0.097 0.000 0.752 116 L CB -0.417 41.633 42.059 -0.017 0.000 0.906 116 L HN 0.055 nan 8.230 nan 0.000 0.436 117 S N -0.514 115.146 115.700 -0.066 0.000 2.382 117 S HA -0.205 4.265 4.470 -0.000 0.000 0.228 117 S C 1.817 176.372 174.600 -0.075 0.000 1.027 117 S CA 1.141 59.308 58.200 -0.056 0.000 0.991 117 S CB -0.191 62.988 63.200 -0.036 0.000 0.823 117 S HN 0.393 nan 8.310 nan 0.000 0.469 118 E N 0.613 120.757 120.200 -0.095 0.000 2.058 118 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 118 E C 1.625 178.147 176.600 -0.130 0.000 0.997 118 E CA 1.249 57.586 56.400 -0.105 0.000 0.801 118 E CB -0.164 29.463 29.700 -0.122 0.000 0.746 118 E HN 0.537 nan 8.360 nan 0.000 0.450 119 I N -0.236 120.224 120.570 -0.182 0.000 3.603 119 I HA -0.049 4.121 4.170 -0.000 0.000 0.297 119 I C 1.551 177.565 176.117 -0.170 0.000 1.269 119 I CA 0.499 61.663 61.300 -0.227 0.000 1.361 119 I CB 0.401 38.147 38.000 -0.423 0.000 1.063 119 I HN -0.021 nan 8.210 nan 0.000 0.448 120 T N -0.319 114.161 114.554 -0.123 0.000 3.015 120 T HA 0.228 4.578 4.350 -0.000 0.000 0.250 120 T C 1.695 176.357 174.700 -0.063 0.000 1.057 120 T CA 0.647 62.696 62.100 -0.085 0.000 1.066 120 T CB 0.570 69.398 68.868 -0.066 0.000 0.959 120 T HN 0.470 nan 8.240 nan 0.000 0.488 121 G N 1.332 110.094 108.800 -0.062 0.000 2.184 121 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.264 121 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.264 121 G C -0.099 174.780 174.900 -0.035 0.000 0.975 121 G CA -0.119 44.954 45.100 -0.046 0.000 0.642 121 G HN 0.424 nan 8.290 nan 0.000 0.536 122 L N 2.101 123.302 121.223 -0.036 0.000 2.350 122 L HA 0.407 4.747 4.340 -0.000 0.000 0.275 122 L C 0.379 177.235 176.870 -0.022 0.000 1.099 122 L CA -0.792 54.032 54.840 -0.026 0.000 0.808 122 L CB 0.858 42.902 42.059 -0.025 0.000 1.149 122 L HN 0.176 nan 8.230 nan 0.000 0.442 123 D N 4.413 124.803 120.400 -0.015 0.000 2.458 123 D HA 0.005 4.645 4.640 -0.000 0.000 0.243 123 D C -1.797 174.498 176.300 -0.008 0.000 1.146 123 D CA -1.074 52.920 54.000 -0.010 0.000 0.877 123 D CB 0.524 41.320 40.800 -0.006 0.000 1.176 123 D HN 0.336 nan 8.370 nan 0.000 0.461 124 P HA -0.162 nan 4.420 nan 0.000 0.220 124 P C 0.784 178.087 177.300 0.005 0.000 1.144 124 P CA 1.031 64.131 63.100 -0.000 0.000 0.800 124 P CB 0.254 31.956 31.700 0.003 0.000 0.772 125 D N -1.119 119.283 120.400 0.004 0.000 2.149 125 D HA -0.092 4.548 4.640 -0.000 0.000 0.201 125 D C 1.779 178.082 176.300 0.005 0.000 0.972 125 D CA 0.866 54.870 54.000 0.006 0.000 0.835 125 D CB -0.662 40.141 40.800 0.006 0.000 0.966 125 D HN 0.148 nan 8.370 nan 0.000 0.476 126 L N 0.973 122.197 121.223 0.001 0.000 2.095 126 L HA 0.024 4.364 4.340 -0.000 0.000 0.204 126 L C 2.521 179.391 176.870 0.001 0.000 1.080 126 L CA 0.842 55.682 54.840 0.000 0.000 0.759 126 L CB -0.482 41.574 42.059 -0.004 0.000 0.914 126 L HN -0.021 nan 8.230 nan 0.000 0.439 127 I N -0.928 119.642 120.570 0.000 0.000 2.361 127 I HA -0.304 3.866 4.170 -0.000 0.000 0.251 127 I C 2.627 178.749 176.117 0.009 0.000 1.133 127 I CA 1.019 62.321 61.300 0.002 0.000 1.413 127 I CB -0.382 37.619 38.000 0.001 0.000 1.073 127 I HN 0.308 nan 8.210 nan 0.000 0.424 128 R N 0.921 121.427 120.500 0.010 0.000 2.115 128 R HA -0.126 4.214 4.340 -0.000 0.000 0.226 128 R C 1.984 178.291 176.300 0.012 0.000 1.100 128 R CA 1.082 57.190 56.100 0.013 0.000 0.980 128 R CB 0.173 30.481 30.300 0.014 0.000 0.875 128 R HN 0.211 nan 8.270 nan 0.000 0.445 129 E N -0.017 120.189 120.200 0.010 0.000 2.230 129 E HA -0.059 4.291 4.350 -0.000 0.000 0.192 129 E C 1.928 178.534 176.600 0.010 0.000 0.987 129 E CA 0.538 56.944 56.400 0.010 0.000 0.841 129 E CB -0.041 29.664 29.700 0.008 0.000 0.783 129 E HN 0.137 nan 8.360 nan 0.000 0.481 130 V N 0.581 120.500 119.914 0.008 0.000 2.407 130 V HA -0.142 3.978 4.120 -0.000 0.000 0.245 130 V C 2.298 178.399 176.094 0.011 0.000 1.041 130 V CA 0.943 63.248 62.300 0.008 0.000 1.040 130 V CB -0.093 31.733 31.823 0.005 0.000 0.671 130 V HN 0.063 nan 8.190 nan 0.000 0.455 131 V N -0.258 119.663 119.914 0.012 0.000 2.515 131 V HA -0.162 3.958 4.120 -0.000 0.000 0.250 131 V C 2.653 178.756 176.094 0.016 0.000 1.058 131 V CA 1.548 63.858 62.300 0.015 0.000 1.064 131 V CB -0.724 31.110 31.823 0.019 0.000 0.675 131 V HN 0.435 nan 8.190 nan 0.000 0.461 132 R N 0.259 120.767 120.500 0.014 0.000 2.070 132 R HA -0.102 4.238 4.340 -0.000 0.000 0.233 132 R C 2.471 178.779 176.300 0.013 0.000 1.137 132 R CA 1.601 57.709 56.100 0.013 0.000 0.945 132 R CB -0.959 29.349 30.300 0.013 0.000 0.845 132 R HN 0.516 nan 8.270 nan 0.000 0.430 133 A N 1.980 124.808 122.820 0.014 0.000 1.892 133 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 133 A C 2.036 179.628 177.584 0.015 0.000 1.188 133 A CA 1.616 53.662 52.037 0.015 0.000 0.631 133 A CB -0.305 18.704 19.000 0.015 0.000 0.822 133 A HN 0.149 nan 8.150 nan 0.000 0.447 134 K N -0.830 119.579 120.400 0.015 0.000 2.211 134 K HA 0.032 4.352 4.320 -0.000 0.000 0.203 134 K C 1.676 178.287 176.600 0.018 0.000 1.050 134 K CA 0.701 56.998 56.287 0.017 0.000 0.945 134 K CB -0.257 32.254 32.500 0.019 0.000 0.732 134 K HN 0.464 nan 8.250 nan 0.000 0.451 135 I N 0.801 121.381 120.570 0.017 0.000 2.810 135 I HA -0.093 4.077 4.170 -0.000 0.000 0.262 135 I C 1.772 177.893 176.117 0.007 0.000 1.131 135 I CA 0.671 61.980 61.300 0.016 0.000 1.453 135 I CB -0.180 37.831 38.000 0.018 0.000 1.161 135 I HN -0.027 nan 8.210 nan 0.000 0.444 136 L N -1.007 120.219 121.223 0.005 0.000 2.298 136 L HA 0.532 4.872 4.340 -0.000 0.000 0.209 136 L C 0.827 177.699 176.870 0.003 0.000 1.084 136 L CA 0.483 55.323 54.840 -0.000 0.000 0.816 136 L CB -1.034 41.025 42.059 0.000 0.000 0.967 136 L HN 0.060 nan 8.230 nan 0.000 0.460 137 G N -1.268 107.537 108.800 0.008 0.000 2.556 137 G HA2 0.482 4.442 3.960 -0.000 0.000 0.294 137 G HA3 0.482 4.442 3.960 -0.000 0.000 0.294 137 G C -1.044 173.865 174.900 0.014 0.000 1.516 137 G CA -0.085 45.021 45.100 0.010 0.000 0.824 137 G HN 0.073 nan 8.290 nan 0.000 0.535 138 S N -0.290 115.418 115.700 0.013 0.000 2.602 138 S HA 0.448 4.918 4.470 -0.000 0.000 0.257 138 S C 2.275 176.889 174.600 0.023 0.000 1.250 138 S CA 0.311 58.520 58.200 0.015 0.000 0.986 138 S CB 0.600 63.806 63.200 0.010 0.000 1.040 138 S HN 1.588 nan 8.310 nan 0.000 0.562 139 A N 1.094 123.930 122.820 0.026 0.000 1.986 139 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 139 A C 2.123 179.742 177.584 0.057 0.000 1.171 139 A CA 1.940 54.003 52.037 0.043 0.000 0.640 139 A CB -0.865 18.158 19.000 0.038 0.000 0.811 139 A HN 0.802 nan 8.150 nan 0.000 0.451 140 R N -0.828 119.688 120.500 0.027 0.000 2.094 140 R HA -0.106 4.234 4.340 -0.000 0.000 0.239 140 R C 1.832 178.160 176.300 0.046 0.000 1.137 140 R CA 1.653 57.763 56.100 0.017 0.000 0.943 140 R CB -1.286 29.012 30.300 -0.003 0.000 0.850 140 R HN 0.284 nan 8.270 nan 0.000 0.433 141 V N 1.174 121.111 119.914 0.039 0.000 2.809 141 V HA -0.059 4.061 4.120 -0.000 0.000 0.256 141 V C 2.241 178.365 176.094 0.050 0.000 1.080 141 V CA 1.292 63.615 62.300 0.039 0.000 1.102 141 V CB -0.383 31.456 31.823 0.025 0.000 0.705 141 V HN 0.311 nan 8.190 nan 0.000 0.475 142 R N -1.381 119.155 120.500 0.060 0.000 2.140 142 R HA -0.029 4.311 4.340 -0.000 0.000 0.213 142 R C 2.266 178.608 176.300 0.071 0.000 1.059 142 R CA 0.992 57.123 56.100 0.053 0.000 1.000 142 R CB -0.418 29.908 30.300 0.042 0.000 0.910 142 R HN 0.619 nan 8.270 nan 0.000 0.455 143 H N 1.008 120.081 119.070 0.004 0.000 2.333 143 H HA 0.030 4.586 4.556 -0.000 0.000 0.302 143 H C 1.907 177.237 175.328 0.004 0.000 1.075 143 H CA 1.376 57.426 56.048 0.004 0.000 1.348 143 H CB 0.100 29.864 29.762 0.003 0.000 1.393 143 H HN 0.091 nan 8.280 nan 0.000 0.509 144 I N 0.411 121.145 120.570 0.273 0.000 2.206 144 I HA -0.116 4.054 4.170 -0.000 0.000 0.239 144 I C -0.290 175.875 176.117 0.080 0.000 1.078 144 I CA 0.497 61.909 61.300 0.188 0.000 1.367 144 I CB -1.032 37.036 38.000 0.114 0.000 1.078 144 I HN 0.251 nan 8.210 nan 0.000 0.413 145 P HA -0.135 nan 4.420 nan 0.000 0.210 145 P C 0.453 177.763 177.300 0.016 0.000 1.185 145 P CA 1.086 64.206 63.100 0.032 0.000 0.924 145 P CB -0.248 31.470 31.700 0.029 0.000 0.786 146 G N -1.064 107.740 108.800 0.007 0.000 2.329 146 G HA2 0.373 4.333 3.960 -0.000 0.000 0.309 146 G HA3 0.373 4.333 3.960 -0.000 0.000 0.309 146 G C 0.600 175.474 174.900 -0.044 0.000 1.110 146 G CA -0.457 44.636 45.100 -0.012 0.000 0.923 146 G HN 0.019 nan 8.290 nan 0.000 0.430 147 L N 1.385 122.575 121.223 -0.056 0.000 2.021 147 L HA -0.068 4.272 4.340 -0.000 0.000 0.244 147 L C 1.458 178.217 176.870 -0.186 0.000 1.094 147 L CA 1.513 56.289 54.840 -0.107 0.000 0.842 147 L CB -0.260 41.757 42.059 -0.071 0.000 0.921 147 L HN 0.494 nan 8.230 nan 0.000 0.435 148 K N -0.804 119.514 120.400 -0.137 0.000 2.739 148 K HA 0.128 4.448 4.320 -0.000 0.000 0.288 148 K C -0.350 176.204 176.600 -0.077 0.000 1.142 148 K CA -0.088 56.112 56.287 -0.144 0.000 1.060 148 K CB 1.155 33.537 32.500 -0.197 0.000 1.338 148 K HN 0.191 nan 8.250 nan 0.000 0.514 149 E N 0.873 121.041 120.200 -0.054 0.000 2.505 149 E HA 0.024 4.374 4.350 -0.000 0.000 0.212 149 E C -0.436 176.150 176.600 -0.023 0.000 0.825 149 E CA 0.503 56.883 56.400 -0.033 0.000 1.333 149 E CB 1.217 30.902 29.700 -0.025 0.000 1.319 149 E HN 0.504 nan 8.360 nan 0.000 0.658 150 T N 1.890 116.430 114.554 -0.022 0.000 2.727 150 T HA 0.383 4.733 4.350 -0.000 0.000 0.298 150 T C 0.368 175.063 174.700 -0.007 0.000 0.942 150 T CA -0.423 61.670 62.100 -0.011 0.000 0.997 150 T CB -0.276 68.589 68.868 -0.005 0.000 0.917 150 T HN -0.009 nan 8.240 nan 0.000 0.487 151 L N 6.152 127.373 121.223 -0.002 0.000 2.628 151 L HA 0.009 4.349 4.340 -0.000 0.000 0.274 151 L C 1.711 178.593 176.870 0.019 0.000 1.209 151 L CA -0.375 54.469 54.840 0.007 0.000 0.930 151 L CB 0.213 42.277 42.059 0.008 0.000 1.183 151 L HN 0.756 nan 8.230 nan 0.000 0.492 152 D N 4.112 124.534 120.400 0.037 0.000 2.192 152 D HA -0.204 4.436 4.640 -0.000 0.000 0.189 152 D C -0.836 175.486 176.300 0.038 0.000 1.007 152 D CA 1.976 56.011 54.000 0.057 0.000 0.859 152 D CB -0.994 39.867 40.800 0.101 0.000 0.936 152 D HN 0.524 nan 8.370 nan 0.000 0.447 153 P HA 0.065 nan 4.420 nan 0.000 0.197 153 P C 1.492 178.801 177.300 0.016 0.000 1.115 153 P CA 0.531 63.644 63.100 0.022 0.000 0.896 153 P CB 0.246 31.959 31.700 0.020 0.000 0.737 154 K N -0.027 120.381 120.400 0.014 0.000 2.049 154 K HA -0.158 4.162 4.320 -0.000 0.000 0.219 154 K C 2.246 178.850 176.600 0.008 0.000 1.056 154 K CA 2.689 58.981 56.287 0.010 0.000 0.946 154 K CB -1.495 31.010 32.500 0.009 0.000 0.723 154 K HN 0.083 nan 8.250 nan 0.000 0.453 155 T N 0.347 114.905 114.554 0.007 0.000 2.544 155 T HA -0.203 4.147 4.350 -0.000 0.000 0.264 155 T C 1.807 176.510 174.700 0.004 0.000 1.096 155 T CA 2.660 64.763 62.100 0.004 0.000 1.181 155 T CB -0.655 68.215 68.868 0.003 0.000 0.864 155 T HN 0.218 nan 8.240 nan 0.000 0.415 156 V N 0.800 120.718 119.914 0.007 0.000 2.380 156 V HA -0.166 3.954 4.120 -0.000 0.000 0.251 156 V C 2.358 178.455 176.094 0.006 0.000 1.063 156 V CA 1.769 64.073 62.300 0.007 0.000 1.055 156 V CB -0.811 31.018 31.823 0.010 0.000 0.657 156 V HN 0.258 nan 8.190 nan 0.000 0.455 157 E N 0.867 121.071 120.200 0.007 0.000 2.077 157 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 157 E C 2.200 178.802 176.600 0.003 0.000 0.989 157 E CA 1.859 58.262 56.400 0.006 0.000 0.800 157 E CB -0.424 29.281 29.700 0.007 0.000 0.746 157 E HN 0.854 nan 8.360 nan 0.000 0.452 158 E N 0.659 120.860 120.200 0.002 0.000 2.049 158 E HA -0.190 4.160 4.350 -0.000 0.000 0.198 158 E C 2.274 178.873 176.600 -0.002 0.000 1.007 158 E CA 1.293 57.693 56.400 -0.000 0.000 0.809 158 E CB -0.299 29.400 29.700 -0.001 0.000 0.749 158 E HN 0.256 nan 8.360 nan 0.000 0.450 159 I N 1.636 122.204 120.570 -0.003 0.000 2.208 159 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 159 I C 1.851 177.965 176.117 -0.006 0.000 1.097 159 I CA 1.191 62.488 61.300 -0.005 0.000 1.363 159 I CB -0.438 37.560 38.000 -0.004 0.000 1.051 159 I HN 0.120 nan 8.210 nan 0.000 0.413 160 D N 0.428 120.826 120.400 -0.003 0.000 2.178 160 D HA -0.204 4.436 4.640 -0.000 0.000 0.201 160 D C 2.168 178.463 176.300 -0.008 0.000 0.980 160 D CA 1.211 55.207 54.000 -0.005 0.000 0.842 160 D CB -0.183 40.617 40.800 -0.001 0.000 0.948 160 D HN 0.500 nan 8.370 nan 0.000 0.472 161 Q N 0.378 120.176 119.800 -0.004 0.000 2.050 161 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 161 Q C 2.121 178.119 176.000 -0.003 0.000 0.980 161 Q CA 0.985 56.786 55.803 -0.002 0.000 0.840 161 Q CB 0.193 28.931 28.738 0.000 0.000 0.898 161 Q HN 0.115 nan 8.270 nan 0.000 0.424 162 K N 0.576 120.972 120.400 -0.006 0.000 2.147 162 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 162 K C 2.029 178.626 176.600 -0.005 0.000 1.049 162 K CA 0.931 57.214 56.287 -0.007 0.000 0.936 162 K CB -0.352 32.140 32.500 -0.014 0.000 0.722 162 K HN 0.277 nan 8.250 nan 0.000 0.446 163 L N 1.147 122.363 121.223 -0.011 0.000 2.131 163 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 163 L C 2.732 179.587 176.870 -0.025 0.000 1.092 163 L CA 1.165 55.995 54.840 -0.017 0.000 0.759 163 L CB -0.316 41.726 42.059 -0.027 0.000 0.903 163 L HN 0.196 nan 8.230 nan 0.000 0.435 164 K N -0.370 120.017 120.400 -0.022 0.000 2.076 164 K HA -0.099 4.221 4.320 -0.000 0.000 0.204 164 K C 2.258 178.861 176.600 0.005 0.000 1.051 164 K CA 1.169 57.444 56.287 -0.020 0.000 0.949 164 K CB 0.104 32.599 32.500 -0.008 0.000 0.726 164 K HN 0.083 nan 8.250 nan 0.000 0.443 165 S N 1.324 117.033 115.700 0.015 0.000 2.419 165 S HA -0.043 4.427 4.470 -0.000 0.000 0.235 165 S C 0.561 175.199 174.600 0.064 0.000 1.019 165 S CA 0.509 58.727 58.200 0.030 0.000 0.982 165 S CB -0.304 62.910 63.200 0.023 0.000 0.789 165 S HN 0.252 nan 8.310 nan 0.000 0.490 166 L N 2.850 124.127 121.223 0.090 0.000 2.700 166 L HA 0.076 4.416 4.340 -0.000 0.000 0.272 166 L C -2.216 174.723 176.870 0.115 0.000 1.176 166 L CA -1.228 53.745 54.840 0.221 0.000 0.961 166 L CB -0.706 41.486 42.059 0.222 0.000 1.249 166 L HN 0.005 nan 8.230 nan 0.000 0.487 167 P HA -0.031 nan 4.420 nan 0.000 0.278 167 P C 0.889 178.129 177.300 -0.099 0.000 1.270 167 P CA -0.385 62.687 63.100 -0.047 0.000 0.800 167 P CB 0.478 32.137 31.700 -0.069 0.000 1.142 168 K N 0.262 120.622 120.400 -0.066 0.000 2.148 168 K HA -0.291 4.029 4.320 -0.000 0.000 0.213 168 K C 1.652 178.220 176.600 -0.053 0.000 1.050 168 K CA 2.251 58.517 56.287 -0.036 0.000 0.932 168 K CB -0.453 32.027 32.500 -0.033 0.000 0.717 168 K HN 0.461 nan 8.250 nan 0.000 0.462 169 E N -0.805 119.296 120.200 -0.165 0.000 2.006 169 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 169 E C 1.986 178.585 176.600 -0.000 0.000 0.993 169 E CA 1.454 57.767 56.400 -0.145 0.000 0.808 169 E CB -0.266 29.253 29.700 -0.301 0.000 0.764 169 E HN 0.496 nan 8.360 nan 0.000 0.449 170 H N 0.152 119.306 119.070 0.140 0.000 2.512 170 H HA 0.121 4.677 4.556 -0.000 0.000 0.279 170 H C 1.803 177.232 175.328 0.168 0.000 0.999 170 H CA 1.024 57.168 56.048 0.160 0.000 1.283 170 H CB -0.044 29.716 29.762 -0.004 0.000 1.421 170 H HN -0.029 nan 8.280 nan 0.000 0.554 171 K N 2.331 122.814 120.400 0.137 0.000 2.103 171 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 171 K C 2.362 178.993 176.600 0.053 0.000 1.048 171 K CA 1.133 57.445 56.287 0.042 0.000 0.930 171 K CB -0.169 32.337 32.500 0.011 0.000 0.716 171 K HN 0.185 nan 8.250 nan 0.000 0.444 172 R N -0.860 119.725 120.500 0.140 0.000 2.096 172 R HA -0.225 4.115 4.340 -0.000 0.000 0.240 172 R C 1.861 178.185 176.300 0.039 0.000 1.139 172 R CA 2.057 58.219 56.100 0.104 0.000 0.952 172 R CB -0.551 29.759 30.300 0.017 0.000 0.854 172 R HN 0.307 nan 8.270 nan 0.000 0.436 173 Y N 0.820 121.146 120.300 0.044 0.000 2.224 173 Y HA -0.225 4.325 4.550 -0.000 0.000 0.289 173 Y C 2.331 178.239 175.900 0.013 0.000 1.146 173 Y CA 1.438 59.557 58.100 0.033 0.000 1.182 173 Y CB -0.333 38.151 38.460 0.040 0.000 0.983 173 Y HN 0.132 nan 8.280 nan 0.000 0.524 174 L N -0.525 120.774 121.223 0.127 0.000 1.970 174 L HA -0.299 4.041 4.340 -0.000 0.000 0.212 174 L C 2.366 179.236 176.870 -0.001 0.000 1.071 174 L CA 1.956 56.801 54.840 0.008 0.000 0.751 174 L CB -0.654 41.339 42.059 -0.110 0.000 0.889 174 L HN 0.344 nan 8.230 nan 0.000 0.432 175 H N -0.434 118.657 119.070 0.034 0.000 2.426 175 H HA -0.186 4.370 4.556 -0.000 0.000 0.298 175 H C 2.201 177.522 175.328 -0.012 0.000 1.107 175 H CA 1.781 57.833 56.048 0.006 0.000 1.298 175 H CB -0.127 29.631 29.762 -0.007 0.000 1.377 175 H HN 0.336 nan 8.280 nan 0.000 0.519 176 I N 0.598 121.220 120.570 0.087 0.000 2.233 176 I HA -0.146 4.024 4.170 -0.000 0.000 0.243 176 I C 2.664 178.792 176.117 0.018 0.000 1.093 176 I CA 1.084 62.389 61.300 0.008 0.000 1.380 176 I CB -0.602 37.346 38.000 -0.086 0.000 1.067 176 I HN 0.152 nan 8.210 nan 0.000 0.413 177 A N 0.654 123.498 122.820 0.040 0.000 1.892 177 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 177 A C 2.444 180.047 177.584 0.032 0.000 1.188 177 A CA 1.733 53.794 52.037 0.039 0.000 0.631 177 A CB -0.584 18.447 19.000 0.052 0.000 0.822 177 A HN 0.318 nan 8.150 nan 0.000 0.447 178 R N -0.354 120.171 120.500 0.041 0.000 2.082 178 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 178 R C 1.936 178.259 176.300 0.038 0.000 1.136 178 R CA 1.447 57.572 56.100 0.042 0.000 0.935 178 R CB -0.796 29.539 30.300 0.059 0.000 0.842 178 R HN 0.594 nan 8.270 nan 0.000 0.430 179 E N 0.253 120.476 120.200 0.039 0.000 2.118 179 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 179 E C 2.112 178.722 176.600 0.016 0.000 0.992 179 E CA 1.465 57.881 56.400 0.026 0.000 0.804 179 E CB -0.425 29.280 29.700 0.009 0.000 0.741 179 E HN 0.544 nan 8.360 nan 0.000 0.458 180 G N 1.553 110.356 108.800 0.004 0.000 2.404 180 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.215 180 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.215 180 G C 1.517 176.420 174.900 0.006 0.000 1.174 180 G CA 0.451 45.546 45.100 -0.008 0.000 0.780 180 G HN 0.154 nan 8.290 nan 0.000 0.537 181 E N 0.951 121.160 120.200 0.014 0.000 2.097 181 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 181 E C 2.877 179.488 176.600 0.020 0.000 1.000 181 E CA 1.239 57.648 56.400 0.015 0.000 0.804 181 E CB -0.382 29.328 29.700 0.018 0.000 0.740 181 E HN 0.292 nan 8.360 nan 0.000 0.454 182 A N 1.233 124.075 122.820 0.038 0.000 1.865 182 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 182 A C 2.477 180.136 177.584 0.126 0.000 1.191 182 A CA 2.600 54.681 52.037 0.073 0.000 0.623 182 A CB -0.907 18.157 19.000 0.106 0.000 0.826 182 A HN 0.348 nan 8.150 nan 0.000 0.444 183 A N -0.455 122.425 122.820 0.101 0.000 1.940 183 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 183 A C 2.268 179.883 177.584 0.050 0.000 1.176 183 A CA 1.898 53.986 52.037 0.086 0.000 0.631 183 A CB -0.599 18.404 19.000 0.005 0.000 0.814 183 A HN 0.577 nan 8.150 nan 0.000 0.446 184 R N -0.530 119.978 120.500 0.013 0.000 2.094 184 R HA -0.213 4.127 4.340 -0.000 0.000 0.239 184 R C 2.331 178.620 176.300 -0.019 0.000 1.137 184 R CA 2.047 58.138 56.100 -0.015 0.000 0.943 184 R CB -0.433 29.864 30.300 -0.006 0.000 0.850 184 R HN 0.671 nan 8.270 nan 0.000 0.433 185 Q N -0.788 119.002 119.800 -0.017 0.000 2.084 185 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 185 Q C 2.181 178.138 176.000 -0.072 0.000 0.978 185 Q CA 1.333 57.102 55.803 -0.057 0.000 0.844 185 Q CB -0.274 28.405 28.738 -0.100 0.000 0.898 185 Q HN 0.596 nan 8.270 nan 0.000 0.426 186 H N 0.395 119.447 119.070 -0.030 0.000 2.353 186 H HA -0.058 4.498 4.556 -0.000 0.000 0.300 186 H C 2.182 177.478 175.328 -0.054 0.000 1.090 186 H CA 0.957 56.986 56.048 -0.031 0.000 1.327 186 H CB -0.133 29.610 29.762 -0.031 0.000 1.383 186 H HN 0.193 nan 8.280 nan 0.000 0.508 187 L N 0.401 121.644 121.223 0.033 0.000 2.131 187 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 187 L C 2.319 179.119 176.870 -0.117 0.000 1.092 187 L CA 0.715 55.496 54.840 -0.097 0.000 0.759 187 L CB -0.172 41.755 42.059 -0.221 0.000 0.903 187 L HN 0.182 nan 8.230 nan 0.000 0.435 188 I N -0.798 119.729 120.570 -0.073 0.000 2.315 188 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 188 I C 2.437 178.553 176.117 -0.001 0.000 1.117 188 I CA 0.938 62.217 61.300 -0.036 0.000 1.404 188 I CB -0.244 37.748 38.000 -0.014 0.000 1.071 188 I HN 0.275 nan 8.210 nan 0.000 0.419 189 E N 1.169 121.371 120.200 0.004 0.000 2.017 189 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 189 E C 2.391 179.019 176.600 0.046 0.000 0.997 189 E CA 1.545 57.963 56.400 0.030 0.000 0.804 189 E CB -0.327 29.385 29.700 0.020 0.000 0.757 189 E HN 0.478 nan 8.360 nan 0.000 0.448 190 A N 1.934 124.783 122.820 0.048 0.000 1.958 190 A HA -0.191 4.129 4.320 -0.000 0.000 0.221 190 A C 1.716 179.328 177.584 0.046 0.000 1.178 190 A CA 1.372 53.440 52.037 0.051 0.000 0.642 190 A CB -0.385 18.639 19.000 0.041 0.000 0.816 190 A HN 0.094 nan 8.150 nan 0.000 0.453 191 N N -0.190 118.534 118.700 0.040 0.000 2.758 191 N HA 0.265 5.005 4.740 -0.000 0.000 0.293 191 N C 0.507 176.048 175.510 0.052 0.000 1.273 191 N CA 0.074 53.170 53.050 0.076 0.000 1.022 191 N CB 0.315 38.894 38.487 0.153 0.000 1.334 191 N HN 0.519 nan 8.380 nan 0.000 0.519 192 L N -0.440 120.789 121.223 0.009 0.000 2.513 192 L HA 0.187 4.527 4.340 -0.000 0.000 0.222 192 L C 2.195 178.999 176.870 -0.110 0.000 1.096 192 L CA 0.241 55.033 54.840 -0.081 0.000 0.857 192 L CB 0.253 42.245 42.059 -0.112 0.000 1.026 192 L HN 0.049 nan 8.230 nan 0.000 0.469 193 R N -0.490 119.996 120.500 -0.022 0.000 2.115 193 R HA -0.107 4.233 4.340 -0.000 0.000 0.226 193 R C 2.079 178.386 176.300 0.012 0.000 1.100 193 R CA 0.934 57.033 56.100 -0.002 0.000 0.980 193 R CB -0.102 30.219 30.300 0.035 0.000 0.875 193 R HN 0.189 nan 8.270 nan 0.000 0.445 194 L N 0.301 121.541 121.223 0.028 0.000 2.012 194 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 194 L C 2.036 178.921 176.870 0.025 0.000 1.073 194 L CA 1.597 56.464 54.840 0.044 0.000 0.748 194 L CB -0.841 41.266 42.059 0.080 0.000 0.891 194 L HN 0.133 nan 8.230 nan 0.000 0.431 195 V N -0.641 119.272 119.914 -0.002 0.000 2.220 195 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 195 V C 2.657 178.750 176.094 -0.002 0.000 1.049 195 V CA 1.753 64.039 62.300 -0.024 0.000 1.003 195 V CB -0.576 31.203 31.823 -0.073 0.000 0.634 195 V HN 0.248 nan 8.190 nan 0.000 0.444 196 V N 1.271 121.172 119.914 -0.021 0.000 2.317 196 V HA -0.317 3.803 4.120 -0.000 0.000 0.251 196 V C 2.661 178.841 176.094 0.144 0.000 1.065 196 V CA 2.556 64.906 62.300 0.083 0.000 1.049 196 V CB -1.276 30.563 31.823 0.026 0.000 0.651 196 V HN 0.767 nan 8.190 nan 0.000 0.450 197 S N 0.044 115.796 115.700 0.087 0.000 2.368 197 S HA -0.159 4.311 4.470 -0.000 0.000 0.225 197 S C 1.914 176.563 174.600 0.082 0.000 1.030 197 S CA 1.749 60.002 58.200 0.088 0.000 0.999 197 S CB -0.614 62.623 63.200 0.062 0.000 0.844 197 S HN 0.536 nan 8.310 nan 0.000 0.459 198 I N 2.614 123.227 120.570 0.071 0.000 2.072 198 I HA -0.161 4.009 4.170 -0.000 0.000 0.235 198 I C 3.091 179.287 176.117 0.132 0.000 1.058 198 I CA 1.232 62.587 61.300 0.093 0.000 1.320 198 I CB -0.859 37.167 38.000 0.044 0.000 1.047 198 I HN 0.390 nan 8.210 nan 0.000 0.397 199 A N 0.576 123.433 122.820 0.063 0.000 2.093 199 A HA -0.322 3.998 4.320 -0.000 0.000 0.222 199 A C 2.168 179.676 177.584 -0.126 0.000 1.162 199 A CA 2.220 54.262 52.037 0.008 0.000 0.655 199 A CB -0.634 18.374 19.000 0.014 0.000 0.805 199 A HN 0.359 nan 8.150 nan 0.000 0.461 200 K N 0.314 120.676 120.400 -0.064 0.000 2.152 200 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 200 K C 1.655 178.122 176.600 -0.223 0.000 1.048 200 K CA 2.044 58.219 56.287 -0.187 0.000 0.933 200 K CB -0.190 32.380 32.500 0.117 0.000 0.721 200 K HN 0.559 nan 8.250 nan 0.000 0.447 201 K N -1.229 119.111 120.400 -0.099 0.000 2.314 201 K HA 0.001 4.321 4.320 -0.000 0.000 0.198 201 K C 0.278 176.715 176.600 -0.273 0.000 1.045 201 K CA 0.458 56.635 56.287 -0.184 0.000 0.988 201 K CB 0.210 32.581 32.500 -0.214 0.000 0.783 201 K HN 0.115 nan 8.250 nan 0.000 0.484 202 Y N 1.172 121.352 120.300 -0.200 0.000 2.882 202 Y HA 0.105 4.654 4.550 -0.000 0.000 0.361 202 Y C 1.502 177.272 175.900 -0.217 0.000 1.058 202 Y CA -0.071 57.923 58.100 -0.177 0.000 1.575 202 Y CB -0.199 38.169 38.460 -0.154 0.000 1.383 202 Y HN -0.028 nan 8.280 nan 0.000 0.515 203 T N -0.606 113.850 114.554 -0.164 0.000 2.643 203 T HA -0.106 4.244 4.350 -0.000 0.000 0.256 203 T C 1.981 176.616 174.700 -0.108 0.000 1.061 203 T CA 1.521 63.484 62.100 -0.228 0.000 1.163 203 T CB -0.519 68.178 68.868 -0.285 0.000 0.865 203 T HN 0.577 nan 8.240 nan 0.000 0.407 204 G N 1.668 110.418 108.800 -0.084 0.000 3.375 204 G HA2 0.012 3.972 3.960 -0.000 0.000 0.247 204 G HA3 0.012 3.972 3.960 -0.000 0.000 0.247 204 G C 1.174 176.051 174.900 -0.038 0.000 1.343 204 G CA -0.269 44.801 45.100 -0.049 0.000 1.368 204 G HN 0.214 nan 8.290 nan 0.000 0.549 205 R N -0.052 120.430 120.500 -0.030 0.000 2.254 205 R HA 0.162 4.502 4.340 -0.000 0.000 0.195 205 R C 1.620 177.913 176.300 -0.011 0.000 0.957 205 R CA 0.676 56.767 56.100 -0.015 0.000 1.024 205 R CB 0.367 30.672 30.300 0.009 0.000 0.952 205 R HN 0.487 nan 8.270 nan 0.000 0.484 206 G N 0.262 109.057 108.800 -0.009 0.000 2.173 206 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.142 206 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.142 206 G C -0.279 174.622 174.900 0.002 0.000 1.019 206 G CA -0.606 44.492 45.100 -0.003 0.000 0.699 206 G HN 0.097 nan 8.290 nan 0.000 0.495 207 L N 1.484 122.708 121.223 0.002 0.000 2.370 207 L HA 0.616 4.956 4.340 -0.000 0.000 0.266 207 L C 0.403 177.290 176.870 0.028 0.000 1.002 207 L CA -0.877 53.969 54.840 0.010 0.000 0.818 207 L CB 2.123 44.181 42.059 -0.001 0.000 1.325 207 L HN 0.160 nan 8.230 nan 0.000 0.418 208 S N 1.579 117.311 115.700 0.052 0.000 2.549 208 S HA 0.079 4.549 4.470 -0.000 0.000 0.283 208 S C 0.879 175.573 174.600 0.157 0.000 1.320 208 S CA -0.326 57.932 58.200 0.098 0.000 1.058 208 S CB 0.672 63.925 63.200 0.089 0.000 0.882 208 S HN 0.557 nan 8.310 nan 0.000 0.498 209 F N 1.831 121.798 119.950 0.029 0.000 2.091 209 F HA -0.226 4.301 4.527 -0.000 0.000 0.299 209 F C 1.784 177.609 175.800 0.041 0.000 1.103 209 F CA 1.431 59.452 58.000 0.035 0.000 1.228 209 F CB -0.128 38.895 39.000 0.038 0.000 0.984 209 F HN 0.531 nan 8.300 nan 0.000 0.477 210 L N -0.256 121.163 121.223 0.327 0.000 2.083 210 L HA -0.254 4.086 4.340 -0.000 0.000 0.209 210 L C 1.806 178.777 176.870 0.168 0.000 1.083 210 L CA 1.589 56.554 54.840 0.209 0.000 0.752 210 L CB -0.839 41.293 42.059 0.121 0.000 0.899 210 L HN 0.098 nan 8.230 nan 0.000 0.433 211 D N 0.209 120.688 120.400 0.131 0.000 2.117 211 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 211 D C 2.384 178.721 176.300 0.062 0.000 0.987 211 D CA 1.058 55.106 54.000 0.080 0.000 0.829 211 D CB -0.146 40.687 40.800 0.056 0.000 0.961 211 D HN 0.165 nan 8.370 nan 0.000 0.460 212 L N 0.323 121.588 121.223 0.070 0.000 2.017 212 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 212 L C 2.381 179.267 176.870 0.027 0.000 1.073 212 L CA 0.884 55.733 54.840 0.014 0.000 0.745 212 L CB -0.337 41.702 42.059 -0.033 0.000 0.894 212 L HN 0.105 nan 8.230 nan 0.000 0.432 213 I N -0.962 119.683 120.570 0.125 0.000 2.208 213 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 213 I C 2.735 178.867 176.117 0.024 0.000 1.097 213 I CA 1.043 62.397 61.300 0.090 0.000 1.363 213 I CB -0.378 37.710 38.000 0.146 0.000 1.051 213 I HN 0.395 nan 8.210 nan 0.000 0.413 214 Q N 0.651 120.486 119.800 0.058 0.000 2.050 214 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 214 Q C 2.146 178.154 176.000 0.013 0.000 0.980 214 Q CA 1.470 57.300 55.803 0.045 0.000 0.840 214 Q CB -0.337 28.442 28.738 0.067 0.000 0.898 214 Q HN 0.502 nan 8.270 nan 0.000 0.424 215 E N -0.252 119.947 120.200 -0.002 0.000 2.038 215 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 215 E C 2.040 178.611 176.600 -0.048 0.000 1.000 215 E CA 1.320 57.703 56.400 -0.028 0.000 0.803 215 E CB -0.665 29.004 29.700 -0.051 0.000 0.750 215 E HN 0.487 nan 8.360 nan 0.000 0.448 216 G N 2.256 111.013 108.800 -0.071 0.000 2.469 216 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.220 216 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.220 216 G C 1.505 176.380 174.900 -0.043 0.000 1.136 216 G CA 0.922 45.968 45.100 -0.090 0.000 0.759 216 G HN 0.175 nan 8.290 nan 0.000 0.562 217 N N 0.310 118.993 118.700 -0.029 0.000 2.120 217 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 217 N C 2.261 177.782 175.510 0.019 0.000 1.024 217 N CA 1.516 54.559 53.050 -0.011 0.000 0.852 217 N CB -0.388 38.090 38.487 -0.016 0.000 1.003 217 N HN 0.388 nan 8.380 nan 0.000 0.424 218 Q N 0.903 120.712 119.800 0.015 0.000 2.226 218 Q HA -0.033 4.307 4.340 -0.000 0.000 0.204 218 Q C 1.828 177.854 176.000 0.044 0.000 0.975 218 Q CA 1.781 57.601 55.803 0.029 0.000 0.866 218 Q CB -0.770 27.979 28.738 0.019 0.000 0.915 218 Q HN 0.363 nan 8.270 nan 0.000 0.440 219 G N 0.415 109.231 108.800 0.027 0.000 2.402 219 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 219 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 219 G C 1.391 176.356 174.900 0.109 0.000 1.162 219 G CA 0.666 45.798 45.100 0.054 0.000 0.777 219 G HN 0.415 nan 8.290 nan 0.000 0.539 220 L N 0.463 121.742 121.223 0.094 0.000 2.083 220 L HA 0.027 4.367 4.340 -0.000 0.000 0.209 220 L C 2.721 179.711 176.870 0.201 0.000 1.083 220 L CA 0.951 55.892 54.840 0.167 0.000 0.752 220 L CB -0.141 42.022 42.059 0.174 0.000 0.899 220 L HN 0.243 nan 8.230 nan 0.000 0.433 221 I N -1.170 119.474 120.570 0.124 0.000 2.493 221 I HA -0.279 3.891 4.170 -0.000 0.000 0.254 221 I C 2.603 178.766 176.117 0.078 0.000 1.160 221 I CA 0.926 62.285 61.300 0.098 0.000 1.445 221 I CB -0.464 37.574 38.000 0.064 0.000 1.086 221 I HN 0.226 nan 8.210 nan 0.000 0.433 222 R N 1.097 121.641 120.500 0.074 0.000 2.075 222 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 222 R C 2.510 178.680 176.300 -0.217 0.000 1.126 222 R CA 1.373 57.489 56.100 0.027 0.000 0.963 222 R CB -0.213 30.202 30.300 0.192 0.000 0.858 222 R HN 0.368 nan 8.270 nan 0.000 0.435 223 A N 0.209 122.902 122.820 -0.211 0.000 1.902 223 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 223 A C 2.191 179.817 177.584 0.070 0.000 1.181 223 A CA 1.455 53.168 52.037 -0.540 0.000 0.623 223 A CB -0.506 18.264 19.000 -0.383 0.000 0.818 223 A HN 0.188 nan 8.150 nan 0.000 0.443 224 V N 1.456 121.562 119.914 0.321 0.000 2.469 224 V HA -0.311 3.809 4.120 -0.000 0.000 0.251 224 V C 2.577 178.772 176.094 0.168 0.000 1.064 224 V CA 2.287 64.785 62.300 0.330 0.000 1.066 224 V CB -1.035 30.872 31.823 0.140 0.000 0.667 224 V HN 0.914 nan 8.190 nan 0.000 0.461 225 E N 0.652 120.881 120.200 0.048 0.000 2.208 225 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 225 E C 1.757 178.362 176.600 0.008 0.000 0.988 225 E CA 1.078 57.486 56.400 0.014 0.000 0.828 225 E CB -0.138 29.554 29.700 -0.014 0.000 0.763 225 E HN 0.572 nan 8.360 nan 0.000 0.478 226 K N 0.020 120.405 120.400 -0.025 0.000 2.355 226 K HA 0.109 4.429 4.320 -0.000 0.000 0.198 226 K C 0.071 176.755 176.600 0.140 0.000 1.039 226 K CA -0.425 55.883 56.287 0.036 0.000 1.075 226 K CB 0.311 32.769 32.500 -0.070 0.000 0.870 226 K HN 0.038 nan 8.250 nan 0.000 0.540 227 F N 3.319 123.294 119.950 0.042 0.000 2.543 227 F HA 0.053 4.580 4.527 -0.000 0.000 0.375 227 F C 0.101 175.884 175.800 -0.028 0.000 1.075 227 F CA -0.719 57.163 58.000 -0.196 0.000 1.225 227 F CB 0.515 39.505 39.000 -0.016 0.000 1.099 227 F HN -0.121 nan 8.300 nan 0.000 0.561 228 E N 5.719 125.323 120.200 -0.994 0.000 2.035 228 E HA 0.092 4.442 4.350 -0.000 0.000 0.271 228 E C 0.204 176.040 176.600 -1.273 0.000 0.953 228 E CA -0.346 55.591 56.400 -0.773 0.000 0.777 228 E CB 0.105 29.619 29.700 -0.311 0.000 1.104 228 E HN 0.590 nan 8.360 nan 0.000 0.408 229 Y N 4.231 123.845 120.300 -1.145 0.000 2.403 229 Y HA -0.057 4.493 4.550 -0.000 0.000 0.291 229 Y C 1.171 176.891 175.900 -0.300 0.000 1.143 229 Y CA 1.095 58.825 58.100 -0.616 0.000 1.257 229 Y CB -0.100 38.248 38.460 -0.186 0.000 0.984 229 Y HN 0.305 nan 8.280 nan 0.000 0.550 230 K N 0.880 120.784 120.400 -0.827 0.000 2.103 230 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 230 K C 0.465 176.754 176.600 -0.520 0.000 1.048 230 K CA 1.437 57.273 56.287 -0.751 0.000 0.930 230 K CB -0.143 32.099 32.500 -0.429 0.000 0.716 230 K HN 0.303 nan 8.250 nan 0.000 0.444 231 R N 1.210 121.415 120.500 -0.491 0.000 2.325 231 R HA 0.110 4.450 4.340 -0.000 0.000 0.323 231 R C 0.666 176.532 176.300 -0.723 0.000 1.177 231 R CA -0.287 55.411 56.100 -0.670 0.000 1.018 231 R CB 0.581 30.448 30.300 -0.721 0.000 1.070 231 R HN -0.024 nan 8.270 nan 0.000 0.495 232 R N 2.745 122.947 120.500 -0.497 0.000 2.208 232 R HA -0.202 4.138 4.340 -0.000 0.000 0.262 232 R C -0.027 176.263 176.300 -0.017 0.000 1.166 232 R CA 1.394 57.362 56.100 -0.220 0.000 0.987 232 R CB -0.605 29.589 30.300 -0.177 0.000 0.887 232 R HN 0.504 nan 8.270 nan 0.000 0.459 233 F N 1.081 121.115 119.950 0.141 0.000 2.629 233 F HA 0.100 4.627 4.527 -0.000 0.000 0.369 233 F C 0.618 176.465 175.800 0.079 0.000 1.125 233 F CA -1.315 56.751 58.000 0.110 0.000 1.330 233 F CB -0.280 38.775 39.000 0.091 0.000 1.071 233 F HN -0.026 nan 8.300 nan 0.000 0.595 234 K N 1.885 122.421 120.400 0.226 0.000 2.102 234 K HA 0.339 4.659 4.320 -0.000 0.000 0.244 234 K C 0.341 176.828 176.600 -0.190 0.000 1.021 234 K CA -0.480 55.826 56.287 0.032 0.000 0.913 234 K CB 0.295 32.849 32.500 0.090 0.000 1.062 234 K HN 0.530 nan 8.250 nan 0.000 0.485 235 F N 0.705 120.416 119.950 -0.398 0.000 2.333 235 F HA -0.202 4.325 4.527 -0.000 0.000 0.300 235 F C 2.334 178.085 175.800 -0.082 0.000 1.083 235 F CA 1.496 59.292 58.000 -0.340 0.000 1.395 235 F CB -0.215 38.663 39.000 -0.204 0.000 1.056 235 F HN 0.827 nan 8.300 nan 0.000 0.529 236 S N -0.481 115.248 115.700 0.049 0.000 2.398 236 S HA -0.247 4.223 4.470 -0.000 0.000 0.220 236 S C 2.159 176.734 174.600 -0.042 0.000 1.038 236 S CA 2.450 60.669 58.200 0.032 0.000 1.080 236 S CB -0.844 62.391 63.200 0.058 0.000 1.039 236 S HN 0.453 nan 8.310 nan 0.000 0.419 237 T N 0.371 114.912 114.554 -0.022 0.000 2.778 237 T HA -0.120 4.230 4.350 -0.000 0.000 0.269 237 T C 1.497 176.185 174.700 -0.020 0.000 1.050 237 T CA 1.698 63.790 62.100 -0.014 0.000 1.137 237 T CB -0.517 68.348 68.868 -0.004 0.000 0.860 237 T HN 0.538 nan 8.240 nan 0.000 0.468 238 Y N 1.700 121.836 120.300 -0.274 0.000 2.184 238 Y HA 0.105 4.655 4.550 -0.000 0.000 0.290 238 Y C 2.561 178.379 175.900 -0.135 0.000 1.129 238 Y CA 0.619 58.571 58.100 -0.247 0.000 1.144 238 Y CB -0.842 37.325 38.460 -0.488 0.000 0.995 238 Y HN 0.179 nan 8.280 nan 0.000 0.513 239 A N -0.568 121.972 122.820 -0.465 0.000 1.940 239 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 239 A C 2.214 179.745 177.584 -0.089 0.000 1.176 239 A CA 2.463 54.259 52.037 -0.401 0.000 0.631 239 A CB -1.408 17.337 19.000 -0.425 0.000 0.814 239 A HN 0.550 nan 8.150 nan 0.000 0.446 240 T N -1.897 112.623 114.554 -0.056 0.000 2.624 240 T HA -0.305 4.045 4.350 -0.000 0.000 0.268 240 T C 1.535 176.218 174.700 -0.028 0.000 1.041 240 T CA 1.621 63.711 62.100 -0.017 0.000 1.159 240 T CB -0.597 68.278 68.868 0.011 0.000 0.863 240 T HN 0.720 nan 8.240 nan 0.000 0.434 241 W N 0.763 121.948 121.300 -0.191 0.000 2.352 241 W HA -0.075 4.585 4.660 0.000 0.000 0.322 241 W C 1.861 178.175 176.519 -0.342 0.000 1.208 241 W CA 0.839 58.004 57.345 -0.300 0.000 1.286 241 W CB -0.695 28.500 29.460 -0.441 0.000 1.167 241 W HN 0.232 nan 8.180 nan 0.000 0.469 242 W N 0.233 121.531 121.300 -0.004 0.000 2.359 242 W HA -0.171 4.489 4.660 -0.000 0.000 0.275 242 W C 2.139 178.490 176.519 -0.280 0.000 1.217 242 W CA 1.284 58.549 57.345 -0.132 0.000 1.196 242 W CB -0.713 28.687 29.460 -0.100 0.000 1.129 242 W HN -0.064 nan 8.180 nan 0.000 0.566 243 I N -0.608 119.909 120.570 -0.090 0.000 2.385 243 I HA -0.141 4.029 4.170 -0.000 0.000 0.244 243 I C 2.441 178.365 176.117 -0.322 0.000 1.089 243 I CA 0.787 61.997 61.300 -0.150 0.000 1.410 243 I CB -0.452 37.490 38.000 -0.096 0.000 1.117 243 I HN -0.218 nan 8.210 nan 0.000 0.429 244 R N 0.349 120.616 120.500 -0.388 0.000 2.139 244 R HA -0.245 4.095 4.340 -0.000 0.000 0.243 244 R C 2.259 178.208 176.300 -0.586 0.000 1.145 244 R CA 1.411 57.201 56.100 -0.517 0.000 0.976 244 R CB -0.242 29.841 30.300 -0.362 0.000 0.866 244 R HN 0.309 nan 8.270 nan 0.000 0.449 245 Q N 0.012 119.391 119.800 -0.702 0.000 2.016 245 Q HA -0.036 4.304 4.340 -0.000 0.000 0.200 245 Q C 2.103 177.842 176.000 -0.436 0.000 0.978 245 Q CA 1.985 57.362 55.803 -0.711 0.000 0.833 245 Q CB -0.400 27.675 28.738 -1.106 0.000 0.895 245 Q HN 0.356 nan 8.270 nan 0.000 0.427 246 A N 0.233 122.846 122.820 -0.345 0.000 1.883 246 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 246 A C 2.124 179.572 177.584 -0.226 0.000 1.186 246 A CA 1.613 53.523 52.037 -0.212 0.000 0.624 246 A CB -0.862 18.058 19.000 -0.132 0.000 0.822 246 A HN 0.397 nan 8.150 nan 0.000 0.444 247 I N -0.339 120.041 120.570 -0.316 0.000 2.113 247 I HA -0.273 3.897 4.170 -0.000 0.000 0.238 247 I C 2.342 178.281 176.117 -0.297 0.000 1.070 247 I CA 1.375 62.468 61.300 -0.344 0.000 1.332 247 I CB -0.561 37.083 38.000 -0.593 0.000 1.044 247 I HN 0.336 nan 8.210 nan 0.000 0.402 248 N N 0.685 119.173 118.700 -0.352 0.000 2.094 248 N HA -0.244 4.496 4.740 -0.000 0.000 0.191 248 N C 1.974 177.399 175.510 -0.141 0.000 1.023 248 N CA 1.458 54.386 53.050 -0.203 0.000 0.857 248 N CB -0.332 38.042 38.487 -0.189 0.000 1.013 248 N HN 0.215 nan 8.380 nan 0.000 0.426 249 R N 1.049 121.452 120.500 -0.161 0.000 2.080 249 R HA -0.020 4.320 4.340 -0.000 0.000 0.236 249 R C 2.180 178.432 176.300 -0.080 0.000 1.137 249 R CA 1.667 57.701 56.100 -0.110 0.000 0.943 249 R CB -0.826 29.406 30.300 -0.114 0.000 0.846 249 R HN 0.212 nan 8.270 nan 0.000 0.431 250 A N 0.660 123.425 122.820 -0.090 0.000 1.892 250 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 250 A C 2.264 179.818 177.584 -0.050 0.000 1.188 250 A CA 2.025 54.024 52.037 -0.064 0.000 0.631 250 A CB -0.851 18.106 19.000 -0.072 0.000 0.822 250 A HN 0.400 nan 8.150 nan 0.000 0.447 251 I N -0.386 120.148 120.570 -0.059 0.000 2.248 251 I HA -0.319 3.851 4.170 -0.000 0.000 0.248 251 I C 2.822 178.924 176.117 -0.025 0.000 1.107 251 I CA 1.303 62.583 61.300 -0.034 0.000 1.373 251 I CB -0.363 37.623 38.000 -0.023 0.000 1.055 251 I HN 0.379 nan 8.210 nan 0.000 0.418 252 A N -0.170 122.632 122.820 -0.030 0.000 2.016 252 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 252 A C 1.806 179.380 177.584 -0.016 0.000 1.162 252 A CA 1.426 53.451 52.037 -0.020 0.000 0.662 252 A CB -0.271 18.717 19.000 -0.021 0.000 0.812 252 A HN 0.295 nan 8.150 nan 0.000 0.450 253 D N -1.135 119.253 120.400 -0.020 0.000 2.216 253 D HA 0.022 4.662 4.640 -0.000 0.000 0.208 253 D C 2.013 178.307 176.300 -0.009 0.000 0.960 253 D CA 0.988 54.980 54.000 -0.014 0.000 0.861 253 D CB 0.019 40.809 40.800 -0.017 0.000 0.985 253 D HN 0.514 nan 8.370 nan 0.000 0.493 254 Q N -0.598 119.195 119.800 -0.011 0.000 2.353 254 Q HA 0.306 4.646 4.340 -0.000 0.000 0.240 254 Q C 1.889 177.886 176.000 -0.004 0.000 0.868 254 Q CA 0.232 56.031 55.803 -0.006 0.000 0.944 254 Q CB 0.650 29.385 28.738 -0.004 0.000 1.104 254 Q HN 0.106 nan 8.270 nan 0.000 0.531 255 A N 1.442 124.258 122.820 -0.006 0.000 1.958 255 A HA -0.170 4.150 4.320 -0.000 0.000 0.221 255 A C 1.021 178.604 177.584 -0.002 0.000 1.178 255 A CA 1.201 53.236 52.037 -0.004 0.000 0.642 255 A CB -0.153 18.843 19.000 -0.007 0.000 0.816 255 A HN 0.154 nan 8.150 nan 0.000 0.453 256 R N -2.035 118.463 120.500 -0.003 0.000 2.674 256 R HA 0.468 4.808 4.340 -0.000 0.000 0.266 256 R C 0.834 177.133 176.300 -0.001 0.000 1.016 256 R CA 0.095 56.193 56.100 -0.002 0.000 1.062 256 R CB 0.596 30.893 30.300 -0.004 0.000 1.142 256 R HN 0.147 nan 8.270 nan 0.000 0.517 257 T N 0.482 115.035 114.554 -0.000 0.000 2.896 257 T HA 0.085 4.435 4.350 -0.000 0.000 0.263 257 T C 0.834 175.533 174.700 -0.001 0.000 1.050 257 T CA 0.832 62.932 62.100 -0.000 0.000 1.140 257 T CB 0.175 69.043 68.868 -0.000 0.000 0.877 257 T HN 0.218 nan 8.240 nan 0.000 0.457 258 I N 2.544 123.114 120.570 -0.001 0.000 2.359 258 I HA 0.385 4.555 4.170 -0.000 0.000 0.284 258 I C 0.258 176.375 176.117 -0.001 0.000 1.018 258 I CA -1.292 60.008 61.300 -0.001 0.000 1.173 258 I CB 0.815 38.815 38.000 -0.001 0.000 1.326 258 I HN 0.008 nan 8.210 nan 0.000 0.462 259 R N 5.537 126.037 120.500 0.000 0.000 2.538 259 R HA 0.125 4.465 4.340 -0.000 0.000 0.273 259 R C -0.792 175.509 176.300 0.002 0.000 0.967 259 R CA 0.961 57.062 56.100 0.001 0.000 1.101 259 R CB 0.140 30.442 30.300 0.002 0.000 0.908 259 R HN 0.564 nan 8.270 nan 0.000 0.411 260 I N 7.048 127.619 120.570 0.002 0.000 2.500 260 I HA 0.296 4.466 4.170 -0.000 0.000 0.286 260 I C -2.119 174.004 176.117 0.011 0.000 1.063 260 I CA -2.507 58.796 61.300 0.005 0.000 1.062 260 I CB 2.316 40.316 38.000 -0.000 0.000 1.223 260 I HN 0.571 nan 8.210 nan 0.000 0.435 261 P HA 0.010 nan 4.420 nan 0.000 0.268 261 P C 1.121 178.450 177.300 0.047 0.000 1.208 261 P CA -0.252 62.868 63.100 0.034 0.000 0.777 261 P CB 0.694 32.422 31.700 0.047 0.000 0.875 262 V N 0.983 120.924 119.914 0.044 0.000 2.370 262 V HA -0.332 3.788 4.120 -0.000 0.000 0.252 262 V C 2.088 178.247 176.094 0.108 0.000 1.068 262 V CA 2.163 64.490 62.300 0.045 0.000 1.061 262 V CB -1.578 30.255 31.823 0.016 0.000 0.656 262 V HN 0.739 nan 8.190 nan 0.000 0.455 263 H N -0.422 118.653 119.070 0.007 0.000 2.357 263 H HA -0.151 4.405 4.556 -0.000 0.000 0.301 263 H C 2.427 177.775 175.328 0.034 0.000 1.082 263 H CA 1.626 57.688 56.048 0.024 0.000 1.342 263 H CB 0.149 29.930 29.762 0.032 0.000 1.389 263 H HN 0.284 nan 8.280 nan 0.000 0.511 264 M N 0.319 119.949 119.600 0.050 0.000 2.149 264 M HA -0.137 4.343 4.480 -0.000 0.000 0.261 264 M C 2.431 178.726 176.300 -0.009 0.000 1.064 264 M CA 0.669 55.956 55.300 -0.023 0.000 1.102 264 M CB -1.187 31.409 32.600 -0.007 0.000 1.369 264 M HN 0.164 nan 8.290 nan 0.000 0.408 265 V N 1.011 120.935 119.914 0.016 0.000 2.214 265 V HA -0.274 3.846 4.120 -0.000 0.000 0.245 265 V C 2.365 178.460 176.094 0.002 0.000 1.047 265 V CA 2.245 64.548 62.300 0.005 0.000 0.998 265 V CB -1.026 30.803 31.823 0.010 0.000 0.633 265 V HN 0.404 nan 8.190 nan 0.000 0.446 266 E N -0.077 120.142 120.200 0.031 0.000 2.130 266 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 266 E C 2.217 178.814 176.600 -0.004 0.000 0.998 266 E CA 1.844 58.259 56.400 0.025 0.000 0.806 266 E CB -0.438 29.303 29.700 0.070 0.000 0.738 266 E HN 0.610 nan 8.360 nan 0.000 0.459 267 T N 0.818 115.370 114.554 -0.002 0.000 2.635 267 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 267 T C 1.893 176.522 174.700 -0.118 0.000 1.040 267 T CA 1.388 63.448 62.100 -0.067 0.000 1.156 267 T CB -0.294 68.536 68.868 -0.063 0.000 0.863 267 T HN 0.119 nan 8.240 nan 0.000 0.430 268 I N 1.271 121.793 120.570 -0.079 0.000 2.286 268 I HA -0.165 4.005 4.170 -0.000 0.000 0.248 268 I C 2.587 178.650 176.117 -0.091 0.000 1.115 268 I CA 0.842 62.090 61.300 -0.086 0.000 1.392 268 I CB -0.350 37.615 38.000 -0.058 0.000 1.065 268 I HN 0.191 nan 8.210 nan 0.000 0.418 269 N N 0.848 119.505 118.700 -0.072 0.000 2.084 269 N HA -0.166 4.574 4.740 -0.000 0.000 0.190 269 N C 1.871 177.324 175.510 -0.096 0.000 1.030 269 N CA 1.196 54.204 53.050 -0.070 0.000 0.849 269 N CB -0.073 38.385 38.487 -0.050 0.000 1.012 269 N HN 0.245 nan 8.380 nan 0.000 0.423 270 K N 1.168 121.498 120.400 -0.118 0.000 2.032 270 K HA -0.077 4.243 4.320 -0.000 0.000 0.209 270 K C 2.254 178.731 176.600 -0.205 0.000 1.048 270 K CA 0.568 56.759 56.287 -0.160 0.000 0.927 270 K CB -0.599 31.782 32.500 -0.199 0.000 0.712 270 K HN 0.221 nan 8.250 nan 0.000 0.441 271 L N 0.744 121.825 121.223 -0.237 0.000 1.990 271 L HA -0.252 4.088 4.340 -0.000 0.000 0.213 271 L C 2.548 179.326 176.870 -0.154 0.000 1.072 271 L CA 1.343 56.044 54.840 -0.233 0.000 0.755 271 L CB -0.533 41.401 42.059 -0.208 0.000 0.889 271 L HN 0.097 nan 8.230 nan 0.000 0.432 272 S N -0.461 115.166 115.700 -0.121 0.000 2.351 272 S HA -0.220 4.250 4.470 -0.000 0.000 0.220 272 S C 2.014 176.565 174.600 -0.082 0.000 1.035 272 S CA 1.450 59.597 58.200 -0.089 0.000 1.031 272 S CB -0.308 62.848 63.200 -0.074 0.000 0.928 272 S HN 0.319 nan 8.310 nan 0.000 0.433 273 R N 0.520 120.969 120.500 -0.085 0.000 2.117 273 R HA -0.102 4.238 4.340 -0.000 0.000 0.243 273 R C 2.513 178.767 176.300 -0.076 0.000 1.143 273 R CA 1.845 57.900 56.100 -0.075 0.000 0.968 273 R CB -0.883 29.372 30.300 -0.076 0.000 0.863 273 R HN 0.376 nan 8.270 nan 0.000 0.444 274 T N 0.603 115.098 114.554 -0.098 0.000 2.708 274 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 274 T C 1.952 176.611 174.700 -0.068 0.000 1.037 274 T CA 1.423 63.465 62.100 -0.095 0.000 1.146 274 T CB -0.318 68.465 68.868 -0.142 0.000 0.865 274 T HN 0.406 nan 8.240 nan 0.000 0.435 275 A N 1.626 124.406 122.820 -0.067 0.000 2.024 275 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 275 A C 2.358 179.923 177.584 -0.032 0.000 1.164 275 A CA 1.434 53.446 52.037 -0.041 0.000 0.643 275 A CB -0.478 18.498 19.000 -0.041 0.000 0.806 275 A HN 0.442 nan 8.150 nan 0.000 0.451 276 R N -0.770 119.707 120.500 -0.039 0.000 2.062 276 R HA -0.082 4.258 4.340 -0.000 0.000 0.231 276 R C 2.366 178.649 176.300 -0.028 0.000 1.136 276 R CA 1.404 57.485 56.100 -0.033 0.000 0.948 276 R CB -0.321 29.956 30.300 -0.038 0.000 0.845 276 R HN 0.567 nan 8.270 nan 0.000 0.430 277 Q N 0.602 120.383 119.800 -0.033 0.000 2.226 277 Q HA -0.101 4.239 4.340 -0.000 0.000 0.204 277 Q C 2.185 178.173 176.000 -0.020 0.000 0.975 277 Q CA 1.072 56.858 55.803 -0.027 0.000 0.866 277 Q CB 0.036 28.756 28.738 -0.032 0.000 0.915 277 Q HN 0.432 nan 8.270 nan 0.000 0.440 278 L N 0.215 121.425 121.223 -0.020 0.000 2.240 278 L HA -0.140 4.200 4.340 -0.000 0.000 0.211 278 L C 2.423 179.289 176.870 -0.007 0.000 1.106 278 L CA 0.683 55.516 54.840 -0.011 0.000 0.793 278 L CB -0.262 41.792 42.059 -0.008 0.000 0.927 278 L HN 0.174 nan 8.230 nan 0.000 0.446 279 Q N 0.341 120.135 119.800 -0.009 0.000 2.297 279 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 279 Q C 2.131 178.126 176.000 -0.008 0.000 0.962 279 Q CA 1.242 57.041 55.803 -0.006 0.000 0.879 279 Q CB -0.225 28.508 28.738 -0.009 0.000 0.947 279 Q HN 0.311 nan 8.270 nan 0.000 0.462 280 Q N 0.101 119.895 119.800 -0.010 0.000 2.133 280 Q HA -0.257 4.083 4.340 -0.000 0.000 0.208 280 Q C 1.050 177.045 176.000 -0.008 0.000 0.991 280 Q CA 2.323 58.120 55.803 -0.010 0.000 0.867 280 Q CB 0.141 28.872 28.738 -0.012 0.000 0.911 280 Q HN 0.494 nan 8.270 nan 0.000 0.417 281 E N -1.390 118.807 120.200 -0.006 0.000 2.467 281 E HA 0.106 4.456 4.350 -0.000 0.000 0.213 281 E C 2.047 178.645 176.600 -0.003 0.000 0.823 281 E CA 0.164 56.561 56.400 -0.005 0.000 1.233 281 E CB -0.007 29.691 29.700 -0.005 0.000 1.233 281 E HN 0.350 nan 8.360 nan 0.000 0.585 282 L N -0.617 120.605 121.223 -0.003 0.000 2.083 282 L HA 0.189 4.529 4.340 -0.000 0.000 0.209 282 L C 1.875 178.744 176.870 -0.002 0.000 1.083 282 L CA 1.047 55.886 54.840 -0.002 0.000 0.752 282 L CB -0.701 41.358 42.059 -0.000 0.000 0.899 282 L HN 0.351 nan 8.230 nan 0.000 0.433 283 G N 0.355 109.154 108.800 -0.002 0.000 2.162 283 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.260 283 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.260 283 G C 0.256 175.155 174.900 -0.001 0.000 0.976 283 G CA 0.015 45.114 45.100 -0.002 0.000 0.655 283 G HN 0.410 nan 8.290 nan 0.000 0.533 284 R N 0.626 121.126 120.500 0.000 0.000 2.435 284 R HA 0.314 4.654 4.340 -0.000 0.000 0.308 284 R C -0.583 175.721 176.300 0.007 0.000 0.975 284 R CA -0.749 55.352 56.100 0.001 0.000 0.867 284 R CB 1.195 31.494 30.300 -0.002 0.000 1.171 284 R HN 0.453 nan 8.270 nan 0.000 0.470 285 E N 4.125 124.332 120.200 0.012 0.000 2.311 285 E HA 0.020 4.370 4.350 -0.000 0.000 0.247 285 E C -2.095 174.526 176.600 0.035 0.000 1.215 285 E CA -1.231 55.183 56.400 0.023 0.000 0.957 285 E CB -0.356 29.362 29.700 0.029 0.000 1.020 285 E HN 0.159 nan 8.360 nan 0.000 0.461 286 P HA -0.220 nan 4.420 nan 0.000 0.264 286 P C -0.040 177.304 177.300 0.073 0.000 1.139 286 P CA 0.697 63.825 63.100 0.046 0.000 0.754 286 P CB 0.406 32.135 31.700 0.049 0.000 0.737 287 T N 2.700 117.266 114.554 0.020 0.000 2.813 287 T HA 0.074 4.424 4.350 -0.000 0.000 0.297 287 T C 0.534 175.281 174.700 0.078 0.000 1.036 287 T CA -0.331 61.734 62.100 -0.058 0.000 1.044 287 T CB 0.144 68.946 68.868 -0.110 0.000 0.993 287 T HN 0.181 nan 8.240 nan 0.000 0.535 288 Y N 1.307 121.613 120.300 0.009 0.000 2.572 288 Y HA 0.184 4.734 4.550 -0.000 0.000 0.340 288 Y C 1.843 177.757 175.900 0.024 0.000 1.224 288 Y CA -0.306 57.803 58.100 0.015 0.000 1.260 288 Y CB -1.292 37.182 38.460 0.022 0.000 1.078 288 Y HN 0.653 nan 8.280 nan 0.000 0.491 289 E N 0.740 121.011 120.200 0.118 0.000 2.057 289 E HA -0.061 4.289 4.350 -0.000 0.000 0.190 289 E C 1.708 178.354 176.600 0.076 0.000 0.969 289 E CA 0.872 57.320 56.400 0.081 0.000 0.812 289 E CB 0.255 29.976 29.700 0.035 0.000 0.777 289 E HN 0.258 nan 8.360 nan 0.000 0.455 290 E N 0.586 120.822 120.200 0.060 0.000 2.049 290 E HA -0.185 4.165 4.350 -0.000 0.000 0.198 290 E C 2.012 178.635 176.600 0.038 0.000 1.007 290 E CA 1.194 57.619 56.400 0.042 0.000 0.809 290 E CB -0.430 29.288 29.700 0.030 0.000 0.749 290 E HN 0.282 nan 8.360 nan 0.000 0.450 291 I N 0.596 121.194 120.570 0.046 0.000 2.194 291 I HA -0.322 3.848 4.170 -0.000 0.000 0.246 291 I C 1.957 178.077 176.117 0.006 0.000 1.093 291 I CA 1.770 63.073 61.300 0.004 0.000 1.355 291 I CB -0.534 37.473 38.000 0.013 0.000 1.046 291 I HN 0.110 nan 8.210 nan 0.000 0.413 292 A N -0.126 122.750 122.820 0.093 0.000 1.858 292 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 292 A C 2.135 179.821 177.584 0.170 0.000 1.190 292 A CA 1.957 54.105 52.037 0.186 0.000 0.617 292 A CB -0.879 18.235 19.000 0.190 0.000 0.827 292 A HN 0.591 nan 8.150 nan 0.000 0.443 293 E N -0.016 120.247 120.200 0.105 0.000 2.005 293 E HA -0.126 4.224 4.350 -0.000 0.000 0.198 293 E C 2.338 178.974 176.600 0.060 0.000 1.010 293 E CA 1.245 57.695 56.400 0.083 0.000 0.825 293 E CB -0.441 29.291 29.700 0.054 0.000 0.769 293 E HN 0.558 nan 8.360 nan 0.000 0.456 294 A N 1.324 124.154 122.820 0.018 0.000 1.948 294 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 294 A C 2.200 179.750 177.584 -0.056 0.000 1.177 294 A CA 1.558 53.585 52.037 -0.016 0.000 0.636 294 A CB -0.502 18.478 19.000 -0.033 0.000 0.815 294 A HN 0.193 nan 8.150 nan 0.000 0.449 295 M N -1.551 117.972 119.600 -0.128 0.000 2.065 295 M HA 0.033 4.513 4.480 -0.000 0.000 0.259 295 M C 1.351 177.578 176.300 -0.123 0.000 1.071 295 M CA 2.108 57.199 55.300 -0.348 0.000 1.109 295 M CB -0.929 31.143 32.600 -0.880 0.000 1.313 295 M HN 0.583 nan 8.290 nan 0.000 0.408 296 G N -2.504 106.438 108.800 0.235 0.000 2.441 296 G HA2 0.080 4.040 3.960 -0.000 0.000 0.222 296 G HA3 0.080 4.040 3.960 -0.000 0.000 0.222 296 G C -2.561 172.603 174.900 0.441 0.000 1.254 296 G CA -0.421 44.908 45.100 0.381 0.000 0.959 296 G HN 0.058 nan 8.290 nan 0.000 0.474 297 P HA 0.016 nan 4.420 nan 0.000 0.206 297 P C 1.481 178.737 177.300 -0.073 0.000 1.142 297 P CA 2.450 65.590 63.100 0.068 0.000 0.946 297 P CB -0.089 31.633 31.700 0.036 0.000 0.777 298 G N -1.928 106.654 108.800 -0.364 0.000 3.949 298 G HA2 0.239 4.199 3.960 -0.000 0.000 0.295 298 G HA3 0.239 4.199 3.960 -0.000 0.000 0.295 298 G C -1.053 173.452 174.900 -0.659 0.000 1.286 298 G CA -0.374 44.451 45.100 -0.459 0.000 1.171 298 G HN 0.135 nan 8.290 nan 0.000 0.586 299 W N 0.399 121.700 121.300 0.003 0.000 2.391 299 W HA 0.576 5.236 4.660 -0.000 0.000 0.311 299 W C -0.206 176.319 176.519 0.010 0.000 1.087 299 W CA -0.748 56.597 57.345 0.001 0.000 1.209 299 W CB 1.586 31.046 29.460 -0.001 0.000 1.273 299 W HN 0.136 nan 8.180 nan 0.000 0.482 300 D N 0.774 121.290 120.400 0.194 0.000 2.531 300 D HA 0.574 5.214 4.640 -0.000 0.000 0.244 300 D C 1.028 177.422 176.300 0.158 0.000 1.090 300 D CA -0.307 53.774 54.000 0.134 0.000 0.989 300 D CB 1.913 42.749 40.800 0.060 0.000 1.433 300 D HN 0.274 nan 8.370 nan 0.000 0.492 301 A N 1.437 124.343 122.820 0.145 0.000 1.873 301 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 301 A C 1.836 179.526 177.584 0.177 0.000 1.193 301 A CA 2.701 54.854 52.037 0.193 0.000 0.629 301 A CB -0.946 18.150 19.000 0.159 0.000 0.826 301 A HN 0.695 nan 8.150 nan 0.000 0.447 302 K N -0.350 120.120 120.400 0.117 0.000 2.103 302 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 302 K C 2.112 178.752 176.600 0.067 0.000 1.048 302 K CA 1.854 58.192 56.287 0.085 0.000 0.930 302 K CB -0.280 32.251 32.500 0.052 0.000 0.716 302 K HN 0.403 nan 8.250 nan 0.000 0.444 303 R N 0.519 121.068 120.500 0.083 0.000 2.062 303 R HA -0.041 4.299 4.340 -0.000 0.000 0.229 303 R C 2.083 178.442 176.300 0.098 0.000 1.128 303 R CA 1.472 57.632 56.100 0.100 0.000 0.960 303 R CB -0.138 30.253 30.300 0.151 0.000 0.855 303 R HN 0.146 nan 8.270 nan 0.000 0.432 304 V N 0.944 120.910 119.914 0.088 0.000 2.307 304 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 304 V C 2.211 178.172 176.094 -0.221 0.000 1.045 304 V CA 2.048 64.322 62.300 -0.042 0.000 1.024 304 V CB -0.562 31.236 31.823 -0.041 0.000 0.651 304 V HN 0.377 nan 8.190 nan 0.000 0.449 305 E N 0.482 120.536 120.200 -0.244 0.000 2.160 305 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 305 E C 2.179 178.695 176.600 -0.140 0.000 0.991 305 E CA 1.538 57.746 56.400 -0.321 0.000 0.810 305 E CB -0.254 29.458 29.700 0.021 0.000 0.742 305 E HN 0.561 nan 8.360 nan 0.000 0.466 306 E N -0.436 119.729 120.200 -0.058 0.000 2.028 306 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 306 E C 2.132 178.706 176.600 -0.042 0.000 0.988 306 E CA 1.951 58.334 56.400 -0.028 0.000 0.799 306 E CB -0.381 29.319 29.700 0.001 0.000 0.755 306 E HN 0.560 nan 8.360 nan 0.000 0.447 307 T N 0.038 114.567 114.554 -0.041 0.000 2.684 307 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 307 T C 2.156 176.812 174.700 -0.075 0.000 1.036 307 T CA 1.440 63.514 62.100 -0.043 0.000 1.148 307 T CB -0.649 68.201 68.868 -0.030 0.000 0.863 307 T HN 0.134 nan 8.240 nan 0.000 0.436 308 L N 0.140 121.288 121.223 -0.124 0.000 2.362 308 L HA 0.104 4.444 4.340 -0.000 0.000 0.219 308 L C 2.796 179.613 176.870 -0.088 0.000 1.134 308 L CA 1.046 55.811 54.840 -0.126 0.000 0.807 308 L CB -0.607 41.333 42.059 -0.199 0.000 0.927 308 L HN 0.283 nan 8.230 nan 0.000 0.447 309 K N 0.633 120.987 120.400 -0.077 0.000 2.228 309 K HA 0.019 4.339 4.320 -0.000 0.000 0.202 309 K C 1.942 178.526 176.600 -0.026 0.000 1.051 309 K CA 0.936 57.198 56.287 -0.041 0.000 0.960 309 K CB 0.121 32.603 32.500 -0.029 0.000 0.743 309 K HN 0.328 nan 8.250 nan 0.000 0.458 310 I N -0.152 120.400 120.570 -0.030 0.000 3.030 310 I HA -0.023 4.147 4.170 -0.000 0.000 0.270 310 I C 2.215 178.318 176.117 -0.022 0.000 1.211 310 I CA 0.233 61.521 61.300 -0.020 0.000 1.479 310 I CB -0.116 37.874 38.000 -0.017 0.000 1.105 310 I HN -0.015 nan 8.210 nan 0.000 0.447 311 A N 1.174 123.974 122.820 -0.033 0.000 1.930 311 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 311 A C 1.272 178.842 177.584 -0.024 0.000 1.175 311 A CA 0.624 52.641 52.037 -0.034 0.000 0.627 311 A CB -0.703 18.268 19.000 -0.049 0.000 0.815 311 A HN 0.550 nan 8.150 nan 0.000 0.443 312 Q N 2.140 121.928 119.800 -0.020 0.000 2.271 312 Q HA 0.246 4.586 4.340 -0.000 0.000 0.273 312 Q C -0.497 175.502 176.000 -0.002 0.000 1.051 312 Q CA -0.131 55.666 55.803 -0.009 0.000 0.901 312 Q CB 0.256 28.992 28.738 -0.002 0.000 1.174 312 Q HN 0.590 nan 8.270 nan 0.000 0.385 313 E N 3.853 124.053 120.200 0.001 0.000 2.392 313 E HA 0.213 4.563 4.350 -0.000 0.000 0.256 313 E C -1.928 174.680 176.600 0.013 0.000 1.145 313 E CA -1.649 54.754 56.400 0.005 0.000 0.929 313 E CB -0.426 29.276 29.700 0.005 0.000 0.998 313 E HN 0.437 nan 8.360 nan 0.000 0.442 314 P HA 0.067 nan 4.420 nan 0.000 0.275 314 P C -0.217 177.107 177.300 0.040 0.000 1.270 314 P CA -0.335 62.780 63.100 0.024 0.000 0.791 314 P CB 0.441 32.150 31.700 0.015 0.000 1.089 315 V N -0.904 119.051 119.914 0.068 0.000 2.850 315 V HA 0.256 4.376 4.120 -0.000 0.000 0.315 315 V C 0.783 176.939 176.094 0.104 0.000 1.064 315 V CA -0.693 61.669 62.300 0.103 0.000 0.979 315 V CB 1.321 33.265 31.823 0.202 0.000 1.039 315 V HN 0.531 nan 8.190 nan 0.000 0.452 316 S N 1.491 117.248 115.700 0.095 0.000 2.414 316 S HA 0.210 4.680 4.470 -0.000 0.000 0.290 316 S C 1.147 175.827 174.600 0.134 0.000 1.160 316 S CA -0.329 57.911 58.200 0.068 0.000 1.069 316 S CB -0.340 62.883 63.200 0.039 0.000 1.012 316 S HN 0.723 nan 8.310 nan 0.000 0.510 317 L N 4.102 125.359 121.223 0.057 0.000 2.197 317 L HA -0.117 4.223 4.340 -0.000 0.000 0.215 317 L C 0.413 177.272 176.870 -0.019 0.000 1.095 317 L CA 1.461 56.315 54.840 0.023 0.000 0.764 317 L CB 0.083 42.085 42.059 -0.096 0.000 0.897 317 L HN 0.633 nan 8.230 nan 0.000 0.436 318 E N 0.077 120.179 120.200 -0.163 0.000 2.121 318 E HA 0.254 4.604 4.350 -0.000 0.000 0.255 318 E C -0.875 175.723 176.600 -0.003 0.000 0.906 318 E CA -0.229 55.891 56.400 -0.466 0.000 0.745 318 E CB 1.050 30.211 29.700 -0.899 0.000 1.155 318 E HN 0.096 nan 8.360 nan 0.000 0.424 319 T N 2.097 116.768 114.554 0.194 0.000 2.906 319 T HA 0.402 4.752 4.350 -0.000 0.000 0.295 319 T C -2.662 172.148 174.700 0.185 0.000 1.075 319 T CA -2.015 60.173 62.100 0.146 0.000 1.005 319 T CB 1.735 70.554 68.868 -0.082 0.000 1.136 319 T HN 0.052 nan 8.240 nan 0.000 0.498 320 P HA 0.263 nan 4.420 nan 0.000 0.271 320 P C -0.673 176.610 177.300 -0.029 0.000 1.233 320 P CA -0.224 62.879 63.100 0.005 0.000 0.764 320 P CB 0.201 31.885 31.700 -0.026 0.000 0.825 321 I N 1.608 122.180 120.570 0.003 0.000 2.982 321 I HA 0.516 4.686 4.170 -0.000 0.000 0.312 321 I C 1.548 177.699 176.117 0.057 0.000 1.041 321 I CA -0.489 60.820 61.300 0.016 0.000 1.053 321 I CB 0.420 38.490 38.000 0.117 0.000 1.248 321 I HN 0.606 nan 8.210 nan 0.000 0.471 322 G N 2.827 111.676 108.800 0.082 0.000 2.627 322 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.312 322 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.312 322 G C -0.184 174.736 174.900 0.034 0.000 1.299 322 G CA 0.060 45.204 45.100 0.074 0.000 0.989 322 G HN 0.630 nan 8.290 nan 0.000 0.547 323 D N 1.559 121.977 120.400 0.030 0.000 2.383 323 D HA 0.356 4.996 4.640 -0.000 0.000 0.252 323 D C 1.473 177.775 176.300 0.004 0.000 1.166 323 D CA 0.044 54.051 54.000 0.011 0.000 0.879 323 D CB 1.109 41.915 40.800 0.010 0.000 1.164 323 D HN 0.454 nan 8.370 nan 0.000 0.462 324 E N 1.819 122.013 120.200 -0.010 0.000 2.483 324 E HA -0.206 4.144 4.350 -0.000 0.000 0.205 324 E C 1.305 177.879 176.600 -0.042 0.000 1.075 324 E CA 0.768 57.152 56.400 -0.026 0.000 0.889 324 E CB 0.088 29.770 29.700 -0.029 0.000 0.816 324 E HN 0.410 nan 8.360 nan 0.000 0.567 325 K N 0.911 121.292 120.400 -0.031 0.000 1.981 325 K HA -0.184 4.136 4.320 -0.000 0.000 0.228 325 K C 0.550 177.104 176.600 -0.077 0.000 1.050 325 K CA 1.855 58.117 56.287 -0.042 0.000 1.001 325 K CB -0.231 32.256 32.500 -0.022 0.000 0.738 325 K HN 0.289 nan 8.250 nan 0.000 0.447 326 D N -0.615 119.739 120.400 -0.077 0.000 2.978 326 D HA 0.072 4.712 4.640 -0.000 0.000 0.268 326 D C -1.311 174.922 176.300 -0.112 0.000 1.252 326 D CA -0.235 53.683 54.000 -0.136 0.000 0.771 326 D CB 0.619 41.356 40.800 -0.106 0.000 1.361 326 D HN -0.016 nan 8.370 nan 0.000 0.558 327 S N 1.214 116.852 115.700 -0.104 0.000 2.640 327 S HA 0.480 4.950 4.470 -0.000 0.000 0.320 327 S C -1.104 173.521 174.600 0.042 0.000 1.097 327 S CA -0.539 57.656 58.200 -0.009 0.000 1.092 327 S CB 0.385 63.637 63.200 0.087 0.000 0.988 327 S HN 0.326 nan 8.310 nan 0.000 0.470 328 F N 5.060 124.954 119.950 -0.094 0.000 2.388 328 F HA 0.286 4.813 4.527 -0.000 0.000 0.358 328 F C 0.650 176.375 175.800 -0.125 0.000 1.122 328 F CA -0.997 56.956 58.000 -0.077 0.000 1.056 328 F CB 0.811 39.768 39.000 -0.071 0.000 1.155 328 F HN 0.722 nan 8.300 nan 0.000 0.461 329 Y N 3.185 123.508 120.300 0.039 0.000 2.653 329 Y HA -0.222 4.328 4.550 -0.000 0.000 0.271 329 Y C 1.734 177.524 175.900 -0.183 0.000 1.177 329 Y CA 1.354 59.409 58.100 -0.075 0.000 1.527 329 Y CB -0.644 37.814 38.460 -0.004 0.000 0.955 329 Y HN 0.578 nan 8.280 nan 0.000 0.612 330 G N -1.827 106.872 108.800 -0.167 0.000 2.939 330 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.216 330 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.216 330 G C 1.146 175.919 174.900 -0.212 0.000 1.125 330 G CA 0.486 45.464 45.100 -0.204 0.000 0.766 330 G HN 0.413 nan 8.290 nan 0.000 0.541 331 D N -0.121 120.074 120.400 -0.340 0.000 2.312 331 D HA -0.024 4.616 4.640 -0.000 0.000 0.211 331 D C 1.510 177.813 176.300 0.006 0.000 0.964 331 D CA 0.507 54.389 54.000 -0.197 0.000 0.877 331 D CB -0.065 40.613 40.800 -0.202 0.000 0.924 331 D HN 0.214 nan 8.370 nan 0.000 0.515 332 F N 0.523 120.477 119.950 0.008 0.000 2.473 332 F HA 0.302 4.829 4.527 -0.000 0.000 0.294 332 F C 1.050 176.826 175.800 -0.041 0.000 1.103 332 F CA -0.495 57.502 58.000 -0.005 0.000 1.442 332 F CB -0.664 38.346 39.000 0.018 0.000 1.097 332 F HN -0.080 nan 8.300 nan 0.000 0.547 333 I N 2.287 122.904 120.570 0.079 0.000 2.556 333 I HA 0.082 4.252 4.170 -0.000 0.000 0.284 333 I C -1.691 174.427 176.117 0.001 0.000 1.114 333 I CA -1.455 59.845 61.300 -0.001 0.000 1.418 333 I CB 0.272 38.223 38.000 -0.082 0.000 1.394 333 I HN -0.130 nan 8.210 nan 0.000 0.552 334 P HA 0.247 nan 4.420 nan 0.000 0.293 334 P C -1.631 175.646 177.300 -0.038 0.000 1.304 334 P CA -0.465 62.630 63.100 -0.009 0.000 0.767 334 P CB 0.483 32.182 31.700 -0.003 0.000 1.247 335 D N -2.084 118.292 120.400 -0.039 0.000 2.646 335 D HA 0.211 4.851 4.640 -0.000 0.000 0.245 335 D C 0.391 176.653 176.300 -0.063 0.000 1.099 335 D CA -0.667 53.291 54.000 -0.070 0.000 0.849 335 D CB 1.347 42.111 40.800 -0.059 0.000 1.448 335 D HN 0.267 nan 8.370 nan 0.000 0.489 336 E N 1.951 122.085 120.200 -0.110 0.000 2.175 336 E HA -0.068 4.282 4.350 -0.000 0.000 0.195 336 E C 1.275 177.888 176.600 0.021 0.000 0.934 336 E CA 0.618 56.986 56.400 -0.054 0.000 0.870 336 E CB -0.742 28.924 29.700 -0.058 0.000 0.838 336 E HN 0.730 nan 8.360 nan 0.000 0.474 337 H N 1.986 121.054 119.070 -0.003 0.000 2.319 337 H HA 0.031 4.587 4.556 -0.000 0.000 0.299 337 H C 0.710 176.038 175.328 -0.000 0.000 1.092 337 H CA 0.371 56.418 56.048 -0.001 0.000 1.302 337 H CB -0.198 29.562 29.762 -0.003 0.000 1.373 337 H HN -0.031 nan 8.280 nan 0.000 0.497 338 L N 3.219 124.517 121.223 0.126 0.000 2.584 338 L HA 0.042 4.382 4.340 -0.000 0.000 0.272 338 L C -2.154 174.744 176.870 0.047 0.000 1.195 338 L CA -1.537 53.344 54.840 0.070 0.000 0.920 338 L CB -0.226 41.856 42.059 0.038 0.000 1.173 338 L HN -0.041 nan 8.230 nan 0.000 0.489 339 P HA 0.045 nan 4.420 nan 0.000 0.273 339 P C -0.144 177.169 177.300 0.022 0.000 1.319 339 P CA -0.283 62.834 63.100 0.029 0.000 0.885 339 P CB 0.599 32.313 31.700 0.025 0.000 1.015 340 S N 4.402 120.114 115.700 0.019 0.000 2.546 340 S HA 0.079 4.549 4.470 -0.000 0.000 0.290 340 S C -1.328 173.281 174.600 0.014 0.000 1.290 340 S CA -0.645 57.564 58.200 0.015 0.000 1.069 340 S CB 0.008 63.216 63.200 0.013 0.000 0.846 340 S HN 0.213 nan 8.310 nan 0.000 0.495 341 P HA -0.315 nan 4.420 nan 0.000 0.236 341 P C 1.552 178.858 177.300 0.010 0.000 1.128 341 P CA 2.031 65.138 63.100 0.010 0.000 0.971 341 P CB -0.396 31.310 31.700 0.009 0.000 0.766 342 V N -0.540 119.380 119.914 0.010 0.000 2.313 342 V HA -0.304 3.816 4.120 -0.000 0.000 0.253 342 V C 1.775 177.876 176.094 0.012 0.000 1.070 342 V CA 2.601 64.907 62.300 0.011 0.000 1.057 342 V CB -1.431 30.399 31.823 0.011 0.000 0.653 342 V HN 0.151 nan 8.190 nan 0.000 0.450 343 D N 0.446 120.854 120.400 0.013 0.000 2.194 343 D HA 0.055 4.695 4.640 -0.000 0.000 0.204 343 D C 2.162 178.469 176.300 0.012 0.000 0.964 343 D CA 1.332 55.341 54.000 0.015 0.000 0.846 343 D CB -0.420 40.391 40.800 0.018 0.000 0.962 343 D HN 0.471 nan 8.370 nan 0.000 0.490 344 A N 0.887 123.714 122.820 0.011 0.000 1.969 344 A HA 0.073 4.393 4.320 -0.000 0.000 0.218 344 A C 2.240 179.828 177.584 0.006 0.000 1.169 344 A CA 1.719 53.761 52.037 0.009 0.000 0.635 344 A CB -0.567 18.439 19.000 0.009 0.000 0.810 344 A HN 0.226 nan 8.150 nan 0.000 0.445 345 A N -1.117 121.706 122.820 0.006 0.000 1.929 345 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 345 A C 2.264 179.849 177.584 0.002 0.000 1.176 345 A CA 2.057 54.096 52.037 0.004 0.000 0.628 345 A CB -1.083 17.919 19.000 0.004 0.000 0.816 345 A HN 0.394 nan 8.150 nan 0.000 0.444 346 T N -0.113 114.444 114.554 0.005 0.000 2.569 346 T HA -0.201 4.149 4.350 -0.000 0.000 0.263 346 T C 2.081 176.782 174.700 0.001 0.000 1.074 346 T CA 1.992 64.095 62.100 0.004 0.000 1.176 346 T CB -0.348 68.526 68.868 0.010 0.000 0.863 346 T HN 0.474 nan 8.240 nan 0.000 0.410 347 Q N 0.744 120.546 119.800 0.003 0.000 2.248 347 Q HA -0.098 4.242 4.340 -0.000 0.000 0.208 347 Q C 2.456 178.455 176.000 -0.002 0.000 0.984 347 Q CA 1.508 57.312 55.803 0.001 0.000 0.875 347 Q CB -0.465 28.274 28.738 0.003 0.000 0.910 347 Q HN 0.592 nan 8.270 nan 0.000 0.433 348 S N -0.695 115.004 115.700 -0.002 0.000 2.329 348 S HA -0.101 4.369 4.470 -0.000 0.000 0.215 348 S C 1.760 176.356 174.600 -0.007 0.000 1.031 348 S CA 0.763 58.961 58.200 -0.003 0.000 0.985 348 S CB -0.420 62.779 63.200 -0.002 0.000 0.917 348 S HN 0.463 nan 8.310 nan 0.000 0.441 349 L N 0.943 122.161 121.223 -0.009 0.000 2.017 349 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 349 L C 2.647 179.505 176.870 -0.019 0.000 1.073 349 L CA 1.883 56.715 54.840 -0.014 0.000 0.745 349 L CB -0.801 41.248 42.059 -0.016 0.000 0.894 349 L HN 0.534 nan 8.230 nan 0.000 0.432 350 L N -0.756 120.456 121.223 -0.018 0.000 1.971 350 L HA -0.305 4.035 4.340 -0.000 0.000 0.215 350 L C 2.614 179.473 176.870 -0.019 0.000 1.072 350 L CA 2.144 56.971 54.840 -0.022 0.000 0.758 350 L CB -0.324 41.727 42.059 -0.014 0.000 0.889 350 L HN 0.160 nan 8.230 nan 0.000 0.433 351 S N -0.861 114.832 115.700 -0.012 0.000 2.402 351 S HA -0.177 4.293 4.470 -0.000 0.000 0.229 351 S C 1.698 176.292 174.600 -0.009 0.000 1.021 351 S CA 1.436 59.630 58.200 -0.009 0.000 0.974 351 S CB -0.231 62.966 63.200 -0.005 0.000 0.800 351 S HN 0.524 nan 8.310 nan 0.000 0.484 352 E N 0.316 120.510 120.200 -0.010 0.000 2.107 352 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 352 E C 2.059 178.652 176.600 -0.012 0.000 0.982 352 E CA 0.934 57.328 56.400 -0.009 0.000 0.809 352 E CB -0.034 29.660 29.700 -0.009 0.000 0.756 352 E HN 0.236 nan 8.360 nan 0.000 0.459 353 E N 0.872 121.061 120.200 -0.018 0.000 2.112 353 E HA -0.028 4.322 4.350 -0.000 0.000 0.190 353 E C 1.864 178.452 176.600 -0.021 0.000 0.979 353 E CA 0.541 56.926 56.400 -0.024 0.000 0.814 353 E CB -0.065 29.611 29.700 -0.040 0.000 0.762 353 E HN 0.170 nan 8.360 nan 0.000 0.460 354 L N 0.324 121.535 121.223 -0.021 0.000 2.093 354 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 354 L C 2.419 179.286 176.870 -0.005 0.000 1.085 354 L CA 1.498 56.329 54.840 -0.015 0.000 0.755 354 L CB -0.191 41.859 42.059 -0.015 0.000 0.904 354 L HN 0.229 nan 8.230 nan 0.000 0.435 355 E N 0.075 120.272 120.200 -0.004 0.000 2.150 355 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 355 E C 2.069 178.671 176.600 0.003 0.000 0.985 355 E CA 0.937 57.337 56.400 -0.001 0.000 0.814 355 E CB 0.238 29.937 29.700 -0.002 0.000 0.752 355 E HN 0.364 nan 8.360 nan 0.000 0.466 356 K N 0.007 120.410 120.400 0.004 0.000 2.062 356 K HA -0.042 4.278 4.320 -0.000 0.000 0.205 356 K C 2.185 178.800 176.600 0.025 0.000 1.051 356 K CA 0.940 57.234 56.287 0.012 0.000 0.941 356 K CB -0.077 32.429 32.500 0.009 0.000 0.719 356 K HN 0.099 nan 8.250 nan 0.000 0.440 357 A N 1.725 124.562 122.820 0.029 0.000 1.858 357 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 357 A C 2.141 179.744 177.584 0.031 0.000 1.190 357 A CA 1.168 53.236 52.037 0.051 0.000 0.617 357 A CB -0.684 18.346 19.000 0.050 0.000 0.827 357 A HN 0.242 nan 8.150 nan 0.000 0.443 358 L N 0.906 122.139 121.223 0.017 0.000 2.137 358 L HA -0.212 4.128 4.340 -0.000 0.000 0.213 358 L C 2.672 179.545 176.870 0.006 0.000 1.085 358 L CA 2.702 57.548 54.840 0.010 0.000 0.760 358 L CB -0.403 41.659 42.059 0.005 0.000 0.893 358 L HN 0.554 nan 8.230 nan 0.000 0.434 359 S N -1.749 113.955 115.700 0.007 0.000 2.388 359 S HA -0.057 4.413 4.470 -0.000 0.000 0.223 359 S C 1.714 176.314 174.600 -0.001 0.000 1.034 359 S CA 0.217 58.419 58.200 0.003 0.000 0.963 359 S CB -0.405 62.798 63.200 0.004 0.000 0.827 359 S HN 0.375 nan 8.310 nan 0.000 0.481 360 K N 1.315 121.716 120.400 0.001 0.000 2.555 360 K HA 0.307 4.627 4.320 -0.000 0.000 0.193 360 K C 0.494 177.074 176.600 -0.032 0.000 1.032 360 K CA 0.001 56.281 56.287 -0.012 0.000 1.004 360 K CB -0.710 31.787 32.500 -0.004 0.000 0.804 360 K HN 0.459 nan 8.250 nan 0.000 0.496 361 L N 0.413 121.623 121.223 -0.023 0.000 2.332 361 L HA 0.205 4.545 4.340 -0.000 0.000 0.269 361 L C -0.338 176.521 176.870 -0.019 0.000 1.016 361 L CA -0.588 54.236 54.840 -0.028 0.000 0.809 361 L CB 1.773 43.822 42.059 -0.018 0.000 1.280 361 L HN -0.131 nan 8.230 nan 0.000 0.447 362 S N 1.157 116.846 115.700 -0.019 0.000 2.531 362 S HA 0.061 4.531 4.470 -0.000 0.000 0.279 362 S C 0.827 175.422 174.600 -0.008 0.000 1.305 362 S CA -0.463 57.729 58.200 -0.013 0.000 1.058 362 S CB 1.050 64.242 63.200 -0.013 0.000 0.899 362 S HN 0.608 nan 8.310 nan 0.000 0.493 363 E N 3.360 123.557 120.200 -0.006 0.000 2.077 363 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 363 E C 1.935 178.533 176.600 -0.003 0.000 0.989 363 E CA 0.858 57.255 56.400 -0.004 0.000 0.800 363 E CB -0.084 29.614 29.700 -0.003 0.000 0.746 363 E HN 0.573 nan 8.360 nan 0.000 0.452 364 R N 0.708 121.206 120.500 -0.003 0.000 2.248 364 R HA -0.266 4.074 4.340 -0.000 0.000 0.236 364 R C 1.968 178.267 176.300 -0.001 0.000 1.111 364 R CA 2.131 58.230 56.100 -0.002 0.000 0.894 364 R CB -0.554 29.744 30.300 -0.003 0.000 0.905 364 R HN 0.139 nan 8.270 nan 0.000 0.426 365 E N -1.009 119.191 120.200 -0.001 0.000 2.473 365 E HA 0.186 4.536 4.350 -0.000 0.000 0.204 365 E C 1.437 178.038 176.600 0.003 0.000 0.994 365 E CA 0.476 56.877 56.400 0.002 0.000 0.945 365 E CB 0.674 30.375 29.700 0.002 0.000 0.990 365 E HN 0.433 nan 8.360 nan 0.000 0.493 366 A N 0.557 123.378 122.820 0.002 0.000 1.874 366 A HA -0.090 4.230 4.320 -0.000 0.000 0.214 366 A C 1.849 179.436 177.584 0.004 0.000 1.189 366 A CA 0.945 52.984 52.037 0.004 0.000 0.615 366 A CB -0.161 18.840 19.000 0.002 0.000 0.830 366 A HN 0.134 nan 8.150 nan 0.000 0.443 367 M N -0.228 119.373 119.600 0.002 0.000 2.175 367 M HA -0.044 4.436 4.480 -0.000 0.000 0.264 367 M C 2.158 178.460 176.300 0.003 0.000 1.063 367 M CA 0.980 56.282 55.300 0.002 0.000 1.119 367 M CB -1.694 30.907 32.600 0.001 0.000 1.377 367 M HN 0.172 nan 8.290 nan 0.000 0.415 368 V N 1.228 121.143 119.914 0.003 0.000 2.252 368 V HA -0.271 3.849 4.120 -0.000 0.000 0.249 368 V C 2.506 178.602 176.094 0.004 0.000 1.056 368 V CA 1.845 64.146 62.300 0.003 0.000 1.022 368 V CB -0.666 31.158 31.823 0.003 0.000 0.641 368 V HN 0.430 nan 8.190 nan 0.000 0.445 369 L N -0.329 120.898 121.223 0.006 0.000 2.418 369 L HA -0.024 4.316 4.340 -0.000 0.000 0.218 369 L C 2.465 179.340 176.870 0.008 0.000 1.125 369 L CA 0.954 55.798 54.840 0.008 0.000 0.835 369 L CB -0.665 41.400 42.059 0.010 0.000 0.953 369 L HN 0.268 nan 8.230 nan 0.000 0.454 370 K N 1.470 121.874 120.400 0.006 0.000 2.076 370 K HA -0.073 4.247 4.320 -0.000 0.000 0.204 370 K C 1.936 178.539 176.600 0.004 0.000 1.051 370 K CA 1.426 57.717 56.287 0.006 0.000 0.949 370 K CB -0.023 32.480 32.500 0.005 0.000 0.726 370 K HN 0.315 nan 8.250 nan 0.000 0.443 371 L N 0.379 121.604 121.223 0.003 0.000 2.127 371 L HA 0.029 4.369 4.340 -0.000 0.000 0.203 371 L C 2.779 179.651 176.870 0.003 0.000 1.080 371 L CA 0.699 55.541 54.840 0.002 0.000 0.768 371 L CB -0.378 41.682 42.059 0.002 0.000 0.924 371 L HN 0.061 nan 8.230 nan 0.000 0.444 372 R N 0.460 120.963 120.500 0.004 0.000 2.115 372 R HA -0.096 4.244 4.340 -0.000 0.000 0.230 372 R C 2.136 178.439 176.300 0.005 0.000 1.111 372 R CA 1.379 57.482 56.100 0.004 0.000 0.976 372 R CB 0.010 30.313 30.300 0.005 0.000 0.870 372 R HN 0.096 nan 8.270 nan 0.000 0.445 373 K N -1.750 118.654 120.400 0.006 0.000 2.168 373 K HA 0.202 4.522 4.320 -0.000 0.000 0.201 373 K C 1.743 178.347 176.600 0.007 0.000 1.049 373 K CA 1.343 57.634 56.287 0.008 0.000 0.974 373 K CB -0.129 32.378 32.500 0.011 0.000 0.792 373 K HN 0.317 nan 8.250 nan 0.000 0.463 374 G N 0.422 109.225 108.800 0.005 0.000 2.986 374 G HA2 0.023 3.983 3.960 -0.000 0.000 0.213 374 G HA3 0.023 3.983 3.960 -0.000 0.000 0.213 374 G C 1.299 176.200 174.900 0.002 0.000 1.156 374 G CA -0.046 45.056 45.100 0.004 0.000 0.763 374 G HN 0.127 nan 8.290 nan 0.000 0.547 375 L N -0.965 120.259 121.223 0.001 0.000 2.445 375 L HA 0.528 4.868 4.340 -0.000 0.000 0.207 375 L C 1.945 178.814 176.870 -0.001 0.000 1.053 375 L CA 0.820 55.660 54.840 -0.000 0.000 0.841 375 L CB 0.220 42.279 42.059 -0.000 0.000 1.074 375 L HN 0.142 nan 8.230 nan 0.000 0.479 376 I N -1.784 118.786 120.570 -0.000 0.000 4.083 376 I HA 0.217 4.387 4.170 -0.000 0.000 0.240 376 I C -0.512 175.604 176.117 -0.001 0.000 1.088 376 I CA -0.323 60.976 61.300 -0.001 0.000 1.651 376 I CB 0.413 38.413 38.000 -0.000 0.000 1.573 376 I HN -0.116 nan 8.210 nan 0.000 0.451 377 D N 0.945 121.345 120.400 0.001 0.000 2.947 377 D HA 0.355 4.995 4.640 -0.000 0.000 0.224 377 D C -0.358 175.944 176.300 0.003 0.000 1.230 377 D CA -0.013 53.988 54.000 0.002 0.000 0.871 377 D CB 2.399 43.199 40.800 0.001 0.000 1.671 377 D HN 0.363 nan 8.370 nan 0.000 0.507 385 E N 0.290 120.493 120.200 0.005 0.000 2.095 385 E HA -0.172 4.178 4.350 -0.000 0.000 0.212 385 E C 2.554 179.156 176.600 0.004 0.000 1.044 385 E CA 3.816 60.219 56.400 0.005 0.000 0.857 385 E CB -1.468 28.235 29.700 0.005 0.000 0.764 385 E HN 1.879 nan 8.360 nan 0.000 0.462 386 V N 0.673 120.589 119.914 0.003 0.000 2.255 386 V HA 0.102 4.222 4.120 -0.000 0.000 0.247 386 V C 2.902 178.997 176.094 0.002 0.000 1.051 386 V CA 3.203 65.504 62.300 0.003 0.000 1.018 386 V CB -1.226 30.599 31.823 0.002 0.000 0.641 386 V HN 0.657 nan 8.190 nan 0.000 0.445 387 G N -1.122 107.680 108.800 0.002 0.000 2.776 387 G HA2 0.186 4.146 3.960 -0.000 0.000 0.209 387 G HA3 0.186 4.146 3.960 -0.000 0.000 0.209 387 G C 1.511 176.412 174.900 0.002 0.000 1.145 387 G CA 1.313 46.414 45.100 0.002 0.000 0.791 387 G HN 0.995 nan 8.290 nan 0.000 0.530 388 A N -0.084 122.738 122.820 0.003 0.000 1.903 388 A HA 0.541 4.861 4.320 -0.000 0.000 0.213 388 A C 1.285 178.870 177.584 0.002 0.000 1.185 388 A CA 0.947 52.986 52.037 0.003 0.000 0.628 388 A CB -0.447 18.555 19.000 0.004 0.000 0.830 388 A HN 0.680 nan 8.150 nan 0.000 0.446 389 F N -2.053 117.899 119.950 0.002 0.000 2.385 389 F HA 0.535 5.062 4.527 -0.000 0.000 0.336 389 F C 1.412 177.212 175.800 0.001 0.000 1.100 389 F CA -1.362 56.639 58.000 0.002 0.000 1.116 389 F CB -0.824 38.177 39.000 0.001 0.000 1.166 389 F HN 0.565 nan 8.300 nan 0.000 0.511 390 F N 1.144 121.094 119.950 0.001 0.000 2.001 390 F HA 0.218 4.745 4.527 -0.000 0.000 0.301 390 F C 2.159 177.959 175.800 0.000 0.000 1.293 390 F CA 2.407 60.407 58.000 0.000 0.000 1.196 390 F CB -1.216 37.784 39.000 -0.000 0.000 0.944 390 F HN 0.892 nan 8.300 nan 0.000 0.525 391 G N -0.745 108.055 108.800 -0.000 0.000 2.576 391 G HA2 0.315 4.275 3.960 -0.000 0.000 0.210 391 G HA3 0.315 4.275 3.960 -0.000 0.000 0.210 391 G C 0.574 175.474 174.900 -0.000 0.000 1.143 391 G CA 0.725 45.825 45.100 -0.000 0.000 0.819 391 G HN 0.674 nan 8.290 nan 0.000 0.534 392 V N 3.243 123.157 119.914 -0.000 0.000 2.493 392 V HA 0.154 4.274 4.120 -0.000 0.000 0.292 392 V C 1.004 177.098 176.094 0.000 0.000 1.016 392 V CA -0.185 62.114 62.300 -0.000 0.000 1.097 392 V CB -0.044 31.778 31.823 -0.001 0.000 0.947 392 V HN 0.239 nan 8.190 nan 0.000 0.479 393 T N 5.076 119.630 114.554 0.000 0.000 2.652 393 T HA 0.062 4.412 4.350 -0.000 0.000 0.345 393 T C 1.539 176.239 174.700 0.001 0.000 1.051 393 T CA -0.239 61.861 62.100 0.001 0.000 1.021 393 T CB 0.398 69.267 68.868 0.000 0.000 1.141 393 T HN 0.624 nan 8.240 nan 0.000 0.518 394 R N 0.177 120.677 120.500 0.001 0.000 2.091 394 R HA -0.139 4.201 4.340 -0.000 0.000 0.238 394 R C 2.548 178.850 176.300 0.002 0.000 1.136 394 R CA 1.518 57.619 56.100 0.002 0.000 0.959 394 R CB -0.322 29.979 30.300 0.002 0.000 0.856 394 R HN 0.584 nan 8.270 nan 0.000 0.437 395 E N 0.544 120.745 120.200 0.001 0.000 2.130 395 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 395 E C 1.808 178.408 176.600 0.001 0.000 0.998 395 E CA 1.462 57.862 56.400 0.001 0.000 0.806 395 E CB 0.045 29.745 29.700 0.000 0.000 0.738 395 E HN 0.143 nan 8.360 nan 0.000 0.459 396 R N -0.503 119.997 120.500 0.000 0.000 2.200 396 R HA 0.077 4.417 4.340 -0.000 0.000 0.208 396 R C 2.285 178.585 176.300 0.001 0.000 1.033 396 R CA 0.676 56.776 56.100 -0.000 0.000 1.000 396 R CB -0.106 30.194 30.300 -0.001 0.000 0.906 396 R HN 0.299 nan 8.270 nan 0.000 0.462 397 I N 1.233 121.804 120.570 0.002 0.000 2.094 397 I HA -0.325 3.845 4.170 -0.000 0.000 0.234 397 I C 2.564 178.683 176.117 0.004 0.000 1.063 397 I CA 1.501 62.803 61.300 0.003 0.000 1.328 397 I CB -0.445 37.557 38.000 0.003 0.000 1.058 397 I HN 0.135 nan 8.210 nan 0.000 0.400 398 R N 0.771 121.274 120.500 0.004 0.000 2.117 398 R HA -0.246 4.094 4.340 -0.000 0.000 0.243 398 R C 2.223 178.526 176.300 0.005 0.000 1.143 398 R CA 1.268 57.371 56.100 0.006 0.000 0.968 398 R CB -0.757 29.546 30.300 0.005 0.000 0.863 398 R HN 0.372 nan 8.270 nan 0.000 0.444 399 Q N 1.609 121.411 119.800 0.003 0.000 1.985 399 Q HA -0.114 4.226 4.340 -0.000 0.000 0.207 399 Q C 2.144 178.145 176.000 0.001 0.000 0.996 399 Q CA 2.040 57.843 55.803 0.001 0.000 0.851 399 Q CB -0.218 28.520 28.738 -0.001 0.000 0.921 399 Q HN 0.545 nan 8.270 nan 0.000 0.418 400 I N 0.110 120.681 120.570 0.001 0.000 2.406 400 I HA -0.156 4.014 4.170 -0.000 0.000 0.249 400 I C 2.438 178.558 176.117 0.004 0.000 1.122 400 I CA 0.866 62.167 61.300 0.001 0.000 1.431 400 I CB -0.346 37.654 38.000 -0.001 0.000 1.087 400 I HN 0.310 nan 8.210 nan 0.000 0.424 401 E N 1.927 122.131 120.200 0.007 0.000 2.023 401 E HA -0.257 4.093 4.350 -0.000 0.000 0.196 401 E C 1.860 178.469 176.600 0.015 0.000 1.003 401 E CA 1.839 58.246 56.400 0.011 0.000 0.809 401 E CB 0.016 29.723 29.700 0.011 0.000 0.755 401 E HN 0.398 nan 8.360 nan 0.000 0.449 402 N N -0.042 118.667 118.700 0.015 0.000 2.396 402 N HA -0.094 4.646 4.740 -0.000 0.000 0.180 402 N C 1.501 177.022 175.510 0.018 0.000 1.028 402 N CA 0.601 53.663 53.050 0.019 0.000 0.893 402 N CB 0.041 38.538 38.487 0.016 0.000 0.967 402 N HN 0.058 nan 8.380 nan 0.000 0.440 403 K N 1.012 121.419 120.400 0.011 0.000 2.284 403 K HA 0.239 4.559 4.320 -0.000 0.000 0.198 403 K C 1.616 178.222 176.600 0.010 0.000 1.048 403 K CA 0.221 56.512 56.287 0.007 0.000 0.987 403 K CB 0.132 32.631 32.500 -0.001 0.000 0.800 403 K HN 0.051 nan 8.250 nan 0.000 0.486 404 A N 1.155 123.980 122.820 0.008 0.000 1.935 404 A HA -0.031 4.289 4.320 -0.000 0.000 0.214 404 A C 2.126 179.723 177.584 0.022 0.000 1.178 404 A CA 0.836 52.876 52.037 0.005 0.000 0.640 404 A CB -0.431 18.568 19.000 -0.001 0.000 0.825 404 A HN 0.307 nan 8.150 nan 0.000 0.447 405 L N -1.040 120.202 121.223 0.031 0.000 2.131 405 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 405 L C 2.238 179.152 176.870 0.073 0.000 1.092 405 L CA 1.785 56.653 54.840 0.047 0.000 0.759 405 L CB -0.246 41.838 42.059 0.041 0.000 0.903 405 L HN 0.264 nan 8.230 nan 0.000 0.435 406 R N -0.374 120.172 120.500 0.076 0.000 2.112 406 R HA -0.013 4.327 4.340 -0.000 0.000 0.216 406 R C 2.220 178.612 176.300 0.153 0.000 1.080 406 R CA 0.825 56.996 56.100 0.117 0.000 0.996 406 R CB -0.101 30.248 30.300 0.081 0.000 0.902 406 R HN 0.177 nan 8.270 nan 0.000 0.449 407 K N 0.687 121.143 120.400 0.093 0.000 2.148 407 K HA -0.020 4.300 4.320 -0.000 0.000 0.204 407 K C 1.830 178.506 176.600 0.125 0.000 1.050 407 K CA 0.770 57.108 56.287 0.084 0.000 0.942 407 K CB -0.135 32.365 32.500 0.001 0.000 0.724 407 K HN 0.019 nan 8.250 nan 0.000 0.446 408 L N 1.208 122.499 121.223 0.114 0.000 2.109 408 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 408 L C 2.053 179.124 176.870 0.335 0.000 1.086 408 L CA 1.830 56.800 54.840 0.215 0.000 0.760 408 L CB -0.712 41.416 42.059 0.115 0.000 0.910 408 L HN 0.319 nan 8.230 nan 0.000 0.437 409 K N -2.081 118.432 120.400 0.189 0.000 2.167 409 K HA -0.203 4.117 4.320 -0.000 0.000 0.203 409 K C 2.035 178.664 176.600 0.048 0.000 1.052 409 K CA 1.178 57.519 56.287 0.091 0.000 0.956 409 K CB -0.514 32.037 32.500 0.084 0.000 0.735 409 K HN 0.083 nan 8.250 nan 0.000 0.451 410 Y N 1.933 122.291 120.300 0.097 0.000 2.475 410 Y HA -0.090 4.460 4.550 -0.000 0.000 0.289 410 Y C 2.503 178.462 175.900 0.097 0.000 1.121 410 Y CA 1.372 59.516 58.100 0.073 0.000 1.257 410 Y CB 0.128 38.624 38.460 0.059 0.000 1.026 410 Y HN 0.377 nan 8.280 nan 0.000 0.555 411 H N -1.801 117.317 119.070 0.079 0.000 2.482 411 H HA 0.028 4.584 4.556 -0.000 0.000 0.286 411 H C 1.257 176.570 175.328 -0.025 0.000 1.017 411 H CA 1.155 57.224 56.048 0.036 0.000 1.322 411 H CB -0.103 29.681 29.762 0.037 0.000 1.426 411 H HN 0.202 nan 8.280 nan 0.000 0.546 412 E N 1.048 120.913 120.200 -0.558 0.000 2.338 412 E HA -0.024 4.326 4.350 -0.000 0.000 0.197 412 E C 1.980 178.401 176.600 -0.298 0.000 1.007 412 E CA 0.414 56.506 56.400 -0.513 0.000 0.849 412 E CB 0.164 29.658 29.700 -0.343 0.000 0.774 412 E HN 0.454 nan 8.360 nan 0.000 0.506 413 S N 0.274 115.809 115.700 -0.276 0.000 2.395 413 S HA 0.003 4.473 4.470 -0.000 0.000 0.225 413 S C 1.781 176.260 174.600 -0.203 0.000 1.027 413 S CA 0.331 58.347 58.200 -0.306 0.000 0.965 413 S CB 0.254 63.087 63.200 -0.612 0.000 0.812 413 S HN 0.241 nan 8.310 nan 0.000 0.482 414 R N 1.140 121.554 120.500 -0.143 0.000 2.078 414 R HA 0.015 4.355 4.340 -0.000 0.000 0.224 414 R C 0.598 176.847 176.300 -0.085 0.000 1.149 414 R CA 1.072 57.131 56.100 -0.067 0.000 0.916 414 R CB -1.331 28.970 30.300 0.001 0.000 0.821 414 R HN 0.158 nan 8.270 nan 0.000 0.434 415 T N 3.760 118.248 114.554 -0.111 0.000 3.455 415 T HA 0.121 4.471 4.350 -0.000 0.000 0.286 415 T C 0.087 174.702 174.700 -0.142 0.000 1.157 415 T CA -0.136 61.900 62.100 -0.107 0.000 1.090 415 T CB 0.008 68.817 68.868 -0.098 0.000 1.112 415 T HN 0.035 nan 8.240 nan 0.000 0.779 416 R N 3.209 123.639 120.500 -0.117 0.000 2.474 416 R HA 0.093 4.433 4.340 -0.000 0.000 0.339 416 R C 0.945 177.180 176.300 -0.108 0.000 1.033 416 R CA 0.373 56.401 56.100 -0.120 0.000 0.997 416 R CB 0.167 30.413 30.300 -0.091 0.000 0.963 416 R HN 0.617 nan 8.270 nan 0.000 0.438 417 K N 1.378 121.699 120.400 -0.132 0.000 2.424 417 K HA 0.087 4.407 4.320 -0.000 0.000 0.200 417 K C 1.301 177.822 176.600 -0.133 0.000 1.279 417 K CA 0.032 56.251 56.287 -0.114 0.000 0.918 417 K CB 0.330 32.764 32.500 -0.109 0.000 1.287 417 K HN 0.088 nan 8.250 nan 0.000 0.502 418 L N 1.368 122.485 121.223 -0.177 0.000 2.249 418 L HA 0.039 4.379 4.340 -0.000 0.000 0.207 418 L C 2.154 178.831 176.870 -0.322 0.000 1.090 418 L CA 1.206 55.904 54.840 -0.237 0.000 0.802 418 L CB -0.596 41.314 42.059 -0.248 0.000 0.947 418 L HN 0.059 nan 8.230 nan 0.000 0.453 419 R N 0.837 121.188 120.500 -0.249 0.000 2.133 419 R HA -0.221 4.119 4.340 -0.000 0.000 0.245 419 R C 0.667 176.900 176.300 -0.112 0.000 1.137 419 R CA 1.731 57.716 56.100 -0.191 0.000 0.947 419 R CB -1.413 28.836 30.300 -0.084 0.000 0.865 419 R HN 0.205 nan 8.270 nan 0.000 0.437 420 D N 1.112 121.474 120.400 -0.063 0.000 2.380 420 D HA -0.069 4.571 4.640 -0.000 0.000 0.270 420 D C -0.735 175.568 176.300 0.006 0.000 1.363 420 D CA 0.219 54.230 54.000 0.017 0.000 1.057 420 D CB -0.449 40.349 40.800 -0.002 0.000 1.096 420 D HN 0.111 nan 8.370 nan 0.000 0.524 421 F N 2.858 122.795 119.950 -0.022 0.000 2.514 421 F HA -0.137 4.390 4.527 -0.000 0.000 0.399 421 F C 1.839 177.631 175.800 -0.014 0.000 1.011 421 F CA -0.006 57.983 58.000 -0.017 0.000 1.109 421 F CB 0.352 39.344 39.000 -0.014 0.000 0.980 421 F HN 0.294 nan 8.300 nan 0.000 0.538 422 L N 1.476 122.715 121.223 0.028 0.000 2.551 422 L HA -0.098 4.242 4.340 -0.000 0.000 0.230 422 L C 0.578 177.500 176.870 0.086 0.000 1.163 422 L CA 0.893 55.751 54.840 0.030 0.000 0.826 422 L CB -0.772 41.272 42.059 -0.025 0.000 0.943 422 L HN 0.602 nan 8.230 nan 0.000 0.452 423 D N 0.000 120.508 120.400 0.180 0.000 6.856 423 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 423 D CA 0.000 54.095 54.000 0.159 0.000 0.868 423 D CB 0.000 40.885 40.800 0.141 0.000 0.688 423 D HN 0.000 nan 8.370 nan 0.000 0.683