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 1ji6_1_A DATA FIRST_RESID 64 DATA SEQUENCE DAVGTGISVV GQILGVVGVP FAGALTSFYQ SFLNTIWPSD ADPWKAFMAQ DATA SEQUENCE VEVLIDKKIE EYAKSKALAE LQGLQNNFED YVNALNSWKK TPLSLRSKRS DATA SEQUENCE QDRIRELFSQ AESHFRNSMP SFAVSKFEVL FLPTYAQAAN THLLLLKDAQ DATA SEQUENCE VFGEEWGYSS EDVAEFYHRQ LKLTQQYTDH CVNWYNVGLN GLRGSTYDAW DATA SEQUENCE VKFNRFRREM TLTVLDLIVL FPFYDIRLYS KGVKTELTRD IFTDPIFSLN DATA SEQUENCE TLQEYGPTFL SIENSIRKPH LFDYLQGIEF HTRLQPGYFG KDSFNYWSGN DATA SEQUENCE YVETRPSIGS SKTITSPFYG DKSTEPVQKL SFDGQKVYRT IANTDVAAWP DATA SEQUENCE NGKVYLGVTK VDFSQYDDQK NETSTQTYDS KRNNGHVSAQ DSIDQLPPET DATA SEQUENCE TDEPLEKAYS HQLNYAECFL MQDRRGTIPF FTWTHRSVDF FNTIDAEKIT DATA SEQUENCE QLPVVKAYAL SSGASIIEGP GFTGGNLLFL KESSNSIAKF KVTLNSAALL DATA SEQUENCE QRYRVRIRYA STTNLRLFVQ NSNNDFLVIY INKTMNKDDD LTYQTFDLAT DATA SEQUENCE TNSNMGFSGD KNELIIGAES FVSNEKIYID KIEFIPVQL 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 64 D HA 0.000 nan 4.640 nan 0.000 0.175 64 D C 0.000 176.172 176.300 -0.213 0.000 2.045 64 D CA 0.000 53.905 54.000 -0.159 0.000 0.868 64 D CB 0.000 40.739 40.800 -0.102 0.000 0.688 65 A N 1.591 124.273 122.820 -0.230 0.000 1.865 65 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 65 A C 2.120 179.685 177.584 -0.032 0.000 1.191 65 A CA 2.175 54.060 52.037 -0.254 0.000 0.623 65 A CB -0.690 18.227 19.000 -0.138 0.000 0.826 65 A HN 0.456 nan 8.150 nan 0.000 0.444 66 V N 0.009 119.911 119.914 -0.020 0.000 2.287 66 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 66 V C 2.825 178.925 176.094 0.009 0.000 1.053 66 V CA 2.055 64.359 62.300 0.007 0.000 1.027 66 V CB -1.523 30.285 31.823 -0.025 0.000 0.646 66 V HN 0.635 nan 8.190 nan 0.000 0.447 67 G N -0.833 107.951 108.800 -0.027 0.000 2.432 67 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.219 67 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.219 67 G C 1.680 176.575 174.900 -0.007 0.000 1.135 67 G CA 1.554 46.643 45.100 -0.019 0.000 0.767 67 G HN 0.484 nan 8.290 nan 0.000 0.550 68 T N 0.752 115.286 114.554 -0.034 0.000 2.770 68 T HA 0.034 4.384 4.350 -0.000 0.000 0.263 68 T C 2.543 177.294 174.700 0.084 0.000 1.039 68 T CA 1.278 63.365 62.100 -0.021 0.000 1.142 68 T CB -0.603 68.180 68.868 -0.142 0.000 0.868 68 T HN 0.331 nan 8.240 nan 0.000 0.435 69 G N 1.591 110.477 108.800 0.143 0.000 2.491 69 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 69 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 69 G C 1.530 176.497 174.900 0.111 0.000 1.180 69 G CA 0.778 45.962 45.100 0.141 0.000 0.774 69 G HN 0.488 nan 8.290 nan 0.000 0.562 70 I N 0.549 121.181 120.570 0.104 0.000 2.286 70 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 70 I C 3.002 179.192 176.117 0.122 0.000 1.115 70 I CA 1.331 62.707 61.300 0.127 0.000 1.392 70 I CB -0.104 37.972 38.000 0.128 0.000 1.065 70 I HN 0.285 nan 8.210 nan 0.000 0.418 71 S N 0.016 115.776 115.700 0.099 0.000 2.387 71 S HA -0.100 4.370 4.470 -0.000 0.000 0.226 71 S C 2.054 176.743 174.600 0.149 0.000 1.026 71 S CA 1.008 59.268 58.200 0.101 0.000 0.972 71 S CB -0.096 63.145 63.200 0.067 0.000 0.814 71 S HN 0.220 nan 8.310 nan 0.000 0.477 72 V N 1.409 121.425 119.914 0.171 0.000 2.307 72 V HA -0.096 4.024 4.120 -0.000 0.000 0.245 72 V C 2.442 178.677 176.094 0.234 0.000 1.045 72 V CA 1.696 64.150 62.300 0.257 0.000 1.024 72 V CB -0.665 31.317 31.823 0.265 0.000 0.651 72 V HN 0.407 nan 8.190 nan 0.000 0.449 73 V N 0.957 120.971 119.914 0.165 0.000 2.594 73 V HA -0.177 3.942 4.120 -0.000 0.000 0.253 73 V C 2.496 178.664 176.094 0.123 0.000 1.069 73 V CA 2.047 64.419 62.300 0.120 0.000 1.082 73 V CB -1.175 30.686 31.823 0.062 0.000 0.680 73 V HN 0.630 nan 8.190 nan 0.000 0.469 74 G N -1.439 107.448 108.800 0.146 0.000 2.408 74 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.215 74 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.215 74 G C 1.479 176.460 174.900 0.134 0.000 1.156 74 G CA 0.385 45.564 45.100 0.131 0.000 0.793 74 G HN 0.514 nan 8.290 nan 0.000 0.535 75 Q N -0.241 119.677 119.800 0.197 0.000 2.049 75 Q HA 0.004 4.344 4.340 -0.000 0.000 0.198 75 Q C 2.632 178.753 176.000 0.201 0.000 0.971 75 Q CA 0.765 56.733 55.803 0.275 0.000 0.833 75 Q CB -0.125 28.886 28.738 0.456 0.000 0.896 75 Q HN 0.373 nan 8.270 nan 0.000 0.434 76 I N 0.879 121.558 120.570 0.182 0.000 2.226 76 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 76 I C 2.359 178.479 176.117 0.006 0.000 1.100 76 I CA 1.264 62.598 61.300 0.057 0.000 1.374 76 I CB -1.049 37.047 38.000 0.161 0.000 1.057 76 I HN 0.279 nan 8.210 nan 0.000 0.413 77 L N 0.748 121.988 121.223 0.029 0.000 2.081 77 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 77 L C 2.581 179.424 176.870 -0.045 0.000 1.080 77 L CA 1.744 56.575 54.840 -0.015 0.000 0.754 77 L CB -0.793 41.270 42.059 0.007 0.000 0.893 77 L HN 0.318 nan 8.230 nan 0.000 0.433 78 G N -1.615 107.173 108.800 -0.020 0.000 2.408 78 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.215 78 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.215 78 G C 1.596 176.448 174.900 -0.080 0.000 1.156 78 G CA 0.651 45.732 45.100 -0.032 0.000 0.793 78 G HN 0.218 nan 8.290 nan 0.000 0.535 79 V N 0.531 120.353 119.914 -0.153 0.000 2.427 79 V HA -0.114 4.006 4.120 -0.000 0.000 0.248 79 V C 2.915 178.903 176.094 -0.177 0.000 1.051 79 V CA 1.504 63.633 62.300 -0.284 0.000 1.048 79 V CB -0.107 31.227 31.823 -0.815 0.000 0.666 79 V HN 0.177 nan 8.190 nan 0.000 0.456 80 V N 0.727 120.570 119.914 -0.118 0.000 2.720 80 V HA -0.108 4.011 4.120 -0.000 0.000 0.256 80 V C 2.353 178.371 176.094 -0.127 0.000 1.082 80 V CA 1.833 64.089 62.300 -0.073 0.000 1.101 80 V CB -0.800 30.981 31.823 -0.070 0.000 0.693 80 V HN 0.660 nan 8.190 nan 0.000 0.479 81 G N -0.902 107.822 108.800 -0.127 0.000 2.985 81 G HA2 0.158 4.118 3.960 -0.000 0.000 0.209 81 G HA3 0.158 4.118 3.960 -0.000 0.000 0.209 81 G C 0.386 175.235 174.900 -0.084 0.000 1.165 81 G CA 0.132 45.162 45.100 -0.116 0.000 0.776 81 G HN 0.353 nan 8.290 nan 0.000 0.541 82 V N 1.122 120.989 119.914 -0.078 0.000 2.483 82 V HA 0.313 4.433 4.120 -0.000 0.000 0.295 82 V C -2.121 173.928 176.094 -0.075 0.000 1.035 82 V CA -2.067 60.193 62.300 -0.066 0.000 0.896 82 V CB 2.214 34.005 31.823 -0.053 0.000 0.986 82 V HN -0.054 nan 8.190 nan 0.000 0.447 83 P HA 0.090 nan 4.420 nan 0.000 0.265 83 P C 0.088 177.286 177.300 -0.170 0.000 1.187 83 P CA 0.488 63.420 63.100 -0.280 0.000 0.766 83 P CB -0.087 31.367 31.700 -0.411 0.000 0.820 84 F N 0.661 120.616 119.950 0.008 0.000 3.074 84 F HA -0.287 4.240 4.527 -0.001 0.000 0.289 84 F C 1.105 176.906 175.800 0.002 0.000 0.863 84 F CA 0.132 58.130 58.000 -0.003 0.000 1.121 84 F CB -2.180 36.785 39.000 -0.058 0.000 1.169 84 F HN 0.534 nan 8.300 nan 0.000 0.570 85 A N -0.700 122.214 122.820 0.156 0.000 2.687 85 A HA 0.094 4.414 4.320 -0.000 0.000 0.299 85 A C 1.669 179.236 177.584 -0.029 0.000 1.497 85 A CA 1.406 53.494 52.037 0.084 0.000 0.751 85 A CB -1.821 17.294 19.000 0.190 0.000 1.048 85 A HN 2.480 nan 8.150 nan 0.000 0.464 86 G N -2.240 106.551 108.800 -0.016 0.000 2.212 86 G HA2 0.019 3.978 3.960 -0.000 0.000 0.267 86 G HA3 0.019 3.978 3.960 -0.000 0.000 0.267 86 G C 1.492 176.395 174.900 0.005 0.000 1.002 86 G CA 1.427 46.504 45.100 -0.038 0.000 0.729 86 G HN 2.448 nan 8.290 nan 0.000 0.517 87 A N -0.844 122.019 122.820 0.071 0.000 2.131 87 A HA 0.244 4.564 4.320 -0.000 0.000 0.220 87 A C 2.091 179.800 177.584 0.208 0.000 1.158 87 A CA 1.606 53.709 52.037 0.110 0.000 0.665 87 A CB -0.124 18.926 19.000 0.083 0.000 0.795 87 A HN 0.870 nan 8.150 nan 0.000 0.460 88 L N 0.010 121.347 121.223 0.189 0.000 2.769 88 L HA 0.126 4.465 4.340 -0.000 0.000 0.240 88 L C 1.166 178.130 176.870 0.157 0.000 1.163 88 L CA 0.293 55.264 54.840 0.219 0.000 0.962 88 L CB -0.146 42.039 42.059 0.211 0.000 1.258 88 L HN 0.516 nan 8.230 nan 0.000 0.513 89 T N -4.224 110.402 114.554 0.120 0.000 2.864 89 T HA 0.218 4.568 4.350 -0.000 0.000 0.276 89 T C 0.952 175.722 174.700 0.117 0.000 1.006 89 T CA 0.059 62.223 62.100 0.107 0.000 0.970 89 T CB 1.514 70.440 68.868 0.095 0.000 1.420 89 T HN 0.024 nan 8.240 nan 0.000 0.601 90 S N -0.608 115.171 115.700 0.130 0.000 2.583 90 S HA 0.162 4.632 4.470 -0.000 0.000 0.239 90 S C 1.280 175.990 174.600 0.184 0.000 0.966 90 S CA -0.606 57.677 58.200 0.138 0.000 0.973 90 S CB -1.092 62.174 63.200 0.109 0.000 0.794 90 S HN 0.623 nan 8.310 nan 0.000 0.463 91 F N 2.607 122.580 119.950 0.038 0.000 2.087 91 F HA -0.228 4.299 4.527 -0.001 0.000 0.299 91 F C 1.751 177.699 175.800 0.246 0.000 1.100 91 F CA 1.631 59.680 58.000 0.081 0.000 1.226 91 F CB -0.808 38.178 39.000 -0.023 0.000 0.983 91 F HN 0.347 nan 8.300 nan 0.000 0.479 92 Y N 0.165 120.504 120.300 0.064 0.000 2.283 92 Y HA -0.340 4.209 4.550 -0.000 0.000 0.285 92 Y C 2.608 178.516 175.900 0.013 0.000 1.176 92 Y CA 0.734 58.846 58.100 0.020 0.000 1.229 92 Y CB -0.340 38.209 38.460 0.149 0.000 0.975 92 Y HN 0.244 nan 8.280 nan 0.000 0.537 93 Q N -0.300 119.601 119.800 0.169 0.000 2.046 93 Q HA -0.148 4.192 4.340 -0.000 0.000 0.200 93 Q C 2.406 178.454 176.000 0.079 0.000 0.975 93 Q CA 1.525 57.392 55.803 0.107 0.000 0.836 93 Q CB -0.564 28.227 28.738 0.088 0.000 0.896 93 Q HN 0.372 nan 8.270 nan 0.000 0.428 94 S N 0.907 116.639 115.700 0.053 0.000 2.355 94 S HA -0.098 4.372 4.470 -0.000 0.000 0.222 94 S C 1.619 176.255 174.600 0.060 0.000 1.031 94 S CA 0.754 58.988 58.200 0.056 0.000 0.993 94 S CB -0.393 62.860 63.200 0.088 0.000 0.859 94 S HN 0.292 nan 8.310 nan 0.000 0.453 95 F N 2.400 122.206 119.950 -0.240 0.000 2.154 95 F HA -0.099 4.428 4.527 -0.001 0.000 0.301 95 F C 1.840 177.724 175.800 0.141 0.000 1.087 95 F CA 1.015 58.922 58.000 -0.155 0.000 1.274 95 F CB -0.531 38.189 39.000 -0.467 0.000 1.009 95 F HN 0.120 nan 8.300 nan 0.000 0.485 96 L N -0.240 121.066 121.223 0.139 0.000 2.017 96 L HA -0.281 4.059 4.340 -0.000 0.000 0.208 96 L C 2.047 178.961 176.870 0.074 0.000 1.073 96 L CA 2.052 56.995 54.840 0.171 0.000 0.745 96 L CB -0.857 41.297 42.059 0.160 0.000 0.894 96 L HN 0.212 nan 8.230 nan 0.000 0.432 97 N N -1.386 117.338 118.700 0.040 0.000 2.166 97 N HA -0.208 4.532 4.740 -0.000 0.000 0.186 97 N C 1.743 177.226 175.510 -0.045 0.000 1.019 97 N CA 1.647 54.703 53.050 0.009 0.000 0.856 97 N CB -0.163 38.333 38.487 0.015 0.000 0.993 97 N HN 0.261 nan 8.380 nan 0.000 0.426 98 T N 0.089 114.601 114.554 -0.070 0.000 2.852 98 T HA 0.086 4.436 4.350 -0.000 0.000 0.256 98 T C 1.557 176.096 174.700 -0.268 0.000 1.038 98 T CA 0.649 62.676 62.100 -0.122 0.000 1.141 98 T CB 0.141 68.990 68.868 -0.032 0.000 0.869 98 T HN 0.031 nan 8.240 nan 0.000 0.439 99 I N -1.223 119.092 120.570 -0.425 0.000 3.339 99 I HA 0.250 4.419 4.170 -0.000 0.000 0.285 99 I C 0.289 175.954 176.117 -0.753 0.000 1.201 99 I CA 0.307 61.174 61.300 -0.722 0.000 1.434 99 I CB -0.514 36.922 38.000 -0.940 0.000 1.152 99 I HN 0.381 nan 8.210 nan 0.000 0.443 100 W N 3.926 125.138 121.300 -0.147 0.000 1.948 100 W HA 0.319 4.979 4.660 -0.001 0.000 0.335 100 W C -2.112 174.452 176.519 0.075 0.000 0.753 100 W CA -1.766 55.635 57.345 0.093 0.000 2.601 100 W CB -0.470 29.094 29.460 0.173 0.000 2.143 100 W HN -0.048 nan 8.180 nan 0.000 0.636 101 P HA 0.116 nan 4.420 nan 0.000 0.274 101 P C 0.899 178.275 177.300 0.127 0.000 1.231 101 P CA 0.245 63.397 63.100 0.087 0.000 0.790 101 P CB 2.179 33.875 31.700 -0.006 0.000 0.951 102 S N 1.376 117.133 115.700 0.096 0.000 2.374 102 S HA -0.206 4.264 4.470 -0.000 0.000 0.227 102 S C 1.209 175.855 174.600 0.076 0.000 1.037 102 S CA 2.253 60.505 58.200 0.088 0.000 1.024 102 S CB -0.994 62.240 63.200 0.056 0.000 0.861 102 S HN 0.719 nan 8.310 nan 0.000 0.456 103 D N 0.937 121.367 120.400 0.051 0.000 2.348 103 D HA 0.257 4.897 4.640 -0.000 0.000 0.216 103 D C 0.871 177.206 176.300 0.059 0.000 0.970 103 D CA 0.734 54.756 54.000 0.038 0.000 0.889 103 D CB -0.460 40.346 40.800 0.010 0.000 0.912 103 D HN 0.330 nan 8.370 nan 0.000 0.524 104 A N 0.089 122.972 122.820 0.104 0.000 2.832 104 A HA -0.294 4.026 4.320 -0.000 0.000 0.280 104 A C 1.168 178.812 177.584 0.099 0.000 1.464 104 A CA 1.155 53.320 52.037 0.213 0.000 0.804 104 A CB -2.124 17.021 19.000 0.243 0.000 1.020 104 A HN 0.291 nan 8.150 nan 0.000 0.563 105 D N -0.204 120.176 120.400 -0.033 0.000 2.097 105 D HA -0.079 4.561 4.640 -0.000 0.000 0.195 105 D C -0.165 175.991 176.300 -0.240 0.000 0.989 105 D CA 1.758 55.693 54.000 -0.109 0.000 0.827 105 D CB -1.141 39.585 40.800 -0.123 0.000 0.966 105 D HN 0.494 nan 8.370 nan 0.000 0.456 106 P HA -0.173 nan 4.420 nan 0.000 0.216 106 P C 1.205 178.024 177.300 -0.800 0.000 1.154 106 P CA 1.336 63.981 63.100 -0.759 0.000 0.865 106 P CB -0.270 30.860 31.700 -0.949 0.000 0.789 107 W N 0.263 121.423 121.300 -0.234 0.000 2.355 107 W HA -0.105 4.554 4.660 -0.001 0.000 0.309 107 W C 2.335 178.799 176.519 -0.091 0.000 1.206 107 W CA 0.858 58.145 57.345 -0.096 0.000 1.284 107 W CB -0.942 28.446 29.460 -0.119 0.000 1.145 107 W HN -0.100 nan 8.180 nan 0.000 0.502 108 K N 0.293 120.739 120.400 0.077 0.000 2.211 108 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 108 K C 2.231 178.792 176.600 -0.065 0.000 1.047 108 K CA 1.480 57.776 56.287 0.015 0.000 0.935 108 K CB -0.532 31.960 32.500 -0.013 0.000 0.728 108 K HN 0.153 nan 8.250 nan 0.000 0.452 109 A N 0.460 123.157 122.820 -0.204 0.000 1.897 109 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 109 A C 1.945 179.393 177.584 -0.226 0.000 1.181 109 A CA 1.047 52.908 52.037 -0.294 0.000 0.620 109 A CB -0.643 18.055 19.000 -0.503 0.000 0.821 109 A HN 0.237 nan 8.150 nan 0.000 0.443 110 F N -0.480 119.421 119.950 -0.081 0.000 2.206 110 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 110 F C 2.588 178.389 175.800 0.002 0.000 1.090 110 F CA 0.827 58.799 58.000 -0.046 0.000 1.323 110 F CB -0.241 38.739 39.000 -0.034 0.000 1.028 110 F HN 0.100 nan 8.300 nan 0.000 0.492 111 M N -0.341 119.381 119.600 0.203 0.000 2.358 111 M HA -0.123 4.357 4.480 -0.000 0.000 0.264 111 M C 2.107 178.400 176.300 -0.013 0.000 1.064 111 M CA 1.358 56.715 55.300 0.094 0.000 1.093 111 M CB -0.797 31.860 32.600 0.095 0.000 1.401 111 M HN 0.220 nan 8.290 nan 0.000 0.440 112 A N -0.868 121.947 122.820 -0.009 0.000 2.197 112 A HA -0.032 4.288 4.320 -0.000 0.000 0.210 112 A C 1.949 179.519 177.584 -0.024 0.000 1.180 112 A CA 0.174 52.188 52.037 -0.038 0.000 0.846 112 A CB -0.286 18.684 19.000 -0.050 0.000 0.884 112 A HN 0.506 nan 8.150 nan 0.000 0.487 113 Q N 0.303 120.104 119.800 0.002 0.000 2.096 113 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 113 Q C 1.454 177.462 176.000 0.013 0.000 0.982 113 Q CA 2.404 58.213 55.803 0.009 0.000 0.850 113 Q CB -0.127 28.645 28.738 0.056 0.000 0.901 113 Q HN 0.396 nan 8.270 nan 0.000 0.422 114 V N 0.522 120.451 119.914 0.025 0.000 2.878 114 V HA -0.097 4.023 4.120 -0.000 0.000 0.250 114 V C 1.826 177.950 176.094 0.050 0.000 1.075 114 V CA 1.330 63.661 62.300 0.052 0.000 1.096 114 V CB -0.428 31.442 31.823 0.078 0.000 0.724 114 V HN 0.325 nan 8.190 nan 0.000 0.467 115 E N 0.707 120.909 120.200 0.003 0.000 2.097 115 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 115 E C 2.247 178.852 176.600 0.009 0.000 1.000 115 E CA 1.695 58.090 56.400 -0.009 0.000 0.804 115 E CB -0.247 29.425 29.700 -0.047 0.000 0.740 115 E HN 0.450 nan 8.360 nan 0.000 0.454 116 V N 1.176 121.093 119.914 0.005 0.000 2.594 116 V HA -0.216 3.904 4.120 -0.000 0.000 0.253 116 V C 2.084 178.193 176.094 0.026 0.000 1.069 116 V CA 1.299 63.603 62.300 0.007 0.000 1.082 116 V CB -0.307 31.512 31.823 -0.006 0.000 0.680 116 V HN 0.243 nan 8.190 nan 0.000 0.469 117 L N -0.341 120.916 121.223 0.057 0.000 2.168 117 L HA 0.077 4.417 4.340 -0.000 0.000 0.203 117 L C 2.112 179.046 176.870 0.106 0.000 1.078 117 L CA 1.325 56.228 54.840 0.105 0.000 0.780 117 L CB -0.233 41.941 42.059 0.193 0.000 0.939 117 L HN 0.371 nan 8.230 nan 0.000 0.451 118 I N -4.845 115.786 120.570 0.101 0.000 3.883 118 I HA 0.150 4.320 4.170 -0.000 0.000 0.326 118 I C -0.244 175.888 176.117 0.023 0.000 1.283 118 I CA -0.064 61.263 61.300 0.045 0.000 1.161 118 I CB 0.078 38.103 38.000 0.042 0.000 1.012 118 I HN 0.090 nan 8.210 nan 0.000 0.421 119 D N 2.839 123.255 120.400 0.027 0.000 2.746 119 D HA -0.181 4.459 4.640 -0.000 0.000 0.236 119 D C 0.075 176.384 176.300 0.015 0.000 1.129 119 D CA 0.989 54.998 54.000 0.014 0.000 0.691 119 D CB -0.503 40.302 40.800 0.008 0.000 1.077 119 D HN 0.650 nan 8.370 nan 0.000 0.432 120 K N -0.233 120.179 120.400 0.021 0.000 2.372 120 K HA 0.536 4.855 4.320 -0.000 0.000 0.251 120 K C -0.621 175.985 176.600 0.009 0.000 1.055 120 K CA -0.701 55.605 56.287 0.031 0.000 0.879 120 K CB 1.662 34.197 32.500 0.057 0.000 1.384 120 K HN -0.234 nan 8.250 nan 0.000 0.465 121 K N 1.299 121.710 120.400 0.019 0.000 2.477 121 K HA 0.430 4.749 4.320 -0.000 0.000 0.255 121 K C -0.813 175.699 176.600 -0.147 0.000 0.952 121 K CA -0.653 55.596 56.287 -0.063 0.000 0.826 121 K CB 1.684 34.150 32.500 -0.056 0.000 1.331 121 K HN 0.524 nan 8.250 nan 0.000 0.437 122 I N 2.308 122.651 120.570 -0.378 0.000 2.325 122 I HA 0.095 4.265 4.170 -0.000 0.000 0.291 122 I C 0.854 176.574 176.117 -0.661 0.000 1.019 122 I CA -0.601 60.193 61.300 -0.843 0.000 1.302 122 I CB 0.696 38.164 38.000 -0.888 0.000 1.401 122 I HN 0.214 nan 8.210 nan 0.000 0.485 123 E N 5.077 124.812 120.200 -0.774 0.000 2.436 123 E HA -0.109 4.240 4.350 -0.000 0.000 0.262 123 E C 0.978 177.333 176.600 -0.409 0.000 1.063 123 E CA 0.205 56.375 56.400 -0.383 0.000 0.944 123 E CB 0.649 30.277 29.700 -0.120 0.000 0.950 123 E HN 0.651 nan 8.360 nan 0.000 0.444 124 E N 2.341 122.454 120.200 -0.144 0.000 2.070 124 E HA -0.279 4.071 4.350 -0.000 0.000 0.197 124 E C 1.906 178.464 176.600 -0.070 0.000 1.004 124 E CA 1.757 58.108 56.400 -0.081 0.000 0.805 124 E CB -0.261 29.446 29.700 0.012 0.000 0.744 124 E HN 0.646 nan 8.360 nan 0.000 0.451 125 Y N -0.224 120.063 120.300 -0.021 0.000 2.030 125 Y HA -0.216 4.333 4.550 -0.001 0.000 0.274 125 Y C 2.345 178.253 175.900 0.015 0.000 1.153 125 Y CA 1.247 59.348 58.100 0.001 0.000 1.115 125 Y CB -1.204 37.265 38.460 0.015 0.000 0.969 125 Y HN 0.051 nan 8.280 nan 0.000 0.488 126 A N 0.782 123.056 122.820 -0.910 0.000 1.908 126 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 126 A C 2.344 179.866 177.584 -0.104 0.000 1.181 126 A CA 2.258 53.978 52.037 -0.528 0.000 0.627 126 A CB -0.881 17.605 19.000 -0.856 0.000 0.818 126 A HN 0.616 nan 8.150 nan 0.000 0.445 127 K N 0.002 120.290 120.400 -0.185 0.000 2.155 127 K HA -0.103 4.217 4.320 -0.000 0.000 0.203 127 K C 2.211 178.827 176.600 0.027 0.000 1.052 127 K CA 1.494 57.763 56.287 -0.031 0.000 0.948 127 K CB -0.094 32.313 32.500 -0.154 0.000 0.728 127 K HN 0.653 nan 8.250 nan 0.000 0.448 128 S N 0.266 115.966 115.700 -0.001 0.000 2.425 128 S HA -0.005 4.465 4.470 -0.000 0.000 0.225 128 S C 1.876 176.491 174.600 0.025 0.000 1.024 128 S CA 0.281 58.492 58.200 0.018 0.000 0.951 128 S CB -0.006 63.204 63.200 0.016 0.000 0.796 128 S HN 0.123 nan 8.310 nan 0.000 0.498 129 K N 2.127 122.544 120.400 0.029 0.000 2.026 129 K HA 0.068 4.388 4.320 -0.000 0.000 0.208 129 K C 2.326 178.926 176.600 0.001 0.000 1.048 129 K CA 1.475 57.770 56.287 0.013 0.000 0.929 129 K CB -0.920 31.593 32.500 0.022 0.000 0.713 129 K HN 0.435 nan 8.250 nan 0.000 0.439 130 A N 1.443 124.286 122.820 0.039 0.000 1.865 130 A HA -0.146 4.173 4.320 -0.000 0.000 0.217 130 A C 2.384 180.018 177.584 0.084 0.000 1.191 130 A CA 1.404 53.504 52.037 0.104 0.000 0.623 130 A CB -0.727 18.398 19.000 0.207 0.000 0.826 130 A HN 0.317 nan 8.150 nan 0.000 0.444 131 L N -0.859 120.393 121.223 0.048 0.000 2.127 131 L HA -0.232 4.108 4.340 -0.000 0.000 0.211 131 L C 3.046 179.895 176.870 -0.036 0.000 1.089 131 L CA 0.942 55.776 54.840 -0.011 0.000 0.757 131 L CB -0.451 41.619 42.059 0.018 0.000 0.899 131 L HN 0.492 nan 8.230 nan 0.000 0.434 132 A N -0.514 122.299 122.820 -0.013 0.000 1.855 132 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 132 A C 2.192 179.761 177.584 -0.025 0.000 1.191 132 A CA 1.212 53.239 52.037 -0.017 0.000 0.613 132 A CB -0.332 18.661 19.000 -0.010 0.000 0.829 132 A HN 0.287 nan 8.150 nan 0.000 0.442 133 E N 0.240 120.425 120.200 -0.025 0.000 2.085 133 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 133 E C 2.023 178.565 176.600 -0.096 0.000 0.994 133 E CA 1.029 57.414 56.400 -0.025 0.000 0.801 133 E CB -0.507 29.143 29.700 -0.084 0.000 0.743 133 E HN 0.665 nan 8.360 nan 0.000 0.453 134 L N 0.582 121.729 121.223 -0.128 0.000 2.131 134 L HA -0.211 4.128 4.340 -0.000 0.000 0.210 134 L C 2.775 179.533 176.870 -0.187 0.000 1.092 134 L CA 1.170 55.816 54.840 -0.323 0.000 0.759 134 L CB -0.322 41.325 42.059 -0.687 0.000 0.903 134 L HN 0.192 nan 8.230 nan 0.000 0.435 135 Q N 0.016 119.756 119.800 -0.101 0.000 2.083 135 Q HA -0.135 4.205 4.340 -0.000 0.000 0.198 135 Q C 2.176 178.166 176.000 -0.017 0.000 0.969 135 Q CA 1.594 57.381 55.803 -0.027 0.000 0.838 135 Q CB -0.188 28.546 28.738 -0.008 0.000 0.900 135 Q HN 0.444 nan 8.270 nan 0.000 0.436 136 G N 0.987 109.778 108.800 -0.014 0.000 2.422 136 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.218 136 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.218 136 G C 1.371 176.207 174.900 -0.107 0.000 1.146 136 G CA 0.705 45.846 45.100 0.069 0.000 0.769 136 G HN 0.308 nan 8.290 nan 0.000 0.547 137 L N -0.160 120.796 121.223 -0.445 0.000 2.056 137 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 137 L C 3.010 179.608 176.870 -0.452 0.000 1.078 137 L CA 1.311 55.667 54.840 -0.807 0.000 0.749 137 L CB -0.408 40.972 42.059 -1.131 0.000 0.901 137 L HN 0.228 nan 8.230 nan 0.000 0.433 138 Q N 0.638 120.373 119.800 -0.108 0.000 2.096 138 Q HA -0.260 4.080 4.340 -0.000 0.000 0.204 138 Q C 1.866 177.896 176.000 0.050 0.000 0.982 138 Q CA 1.858 57.748 55.803 0.146 0.000 0.850 138 Q CB -0.331 28.660 28.738 0.421 0.000 0.901 138 Q HN 0.550 nan 8.270 nan 0.000 0.422 139 N N 0.280 118.988 118.700 0.013 0.000 2.039 139 N HA -0.172 4.567 4.740 -0.000 0.000 0.193 139 N C 1.557 177.055 175.510 -0.019 0.000 1.044 139 N CA 1.608 54.661 53.050 0.005 0.000 0.847 139 N CB -0.199 38.293 38.487 0.008 0.000 1.030 139 N HN 0.373 nan 8.380 nan 0.000 0.422 140 N N -0.431 118.254 118.700 -0.026 0.000 2.061 140 N HA -0.202 4.538 4.740 -0.000 0.000 0.193 140 N C 1.707 177.212 175.510 -0.008 0.000 1.030 140 N CA 1.368 54.412 53.050 -0.011 0.000 0.856 140 N CB -0.280 38.209 38.487 0.004 0.000 1.023 140 N HN 0.203 nan 8.380 nan 0.000 0.424 141 F N 2.021 121.870 119.950 -0.168 0.000 2.134 141 F HA -0.146 4.381 4.527 0.000 0.000 0.299 141 F C 2.424 178.154 175.800 -0.117 0.000 1.097 141 F CA 1.436 59.323 58.000 -0.189 0.000 1.264 141 F CB -0.323 38.411 39.000 -0.444 0.000 1.001 141 F HN 0.062 nan 8.300 nan 0.000 0.479 142 E N -0.322 119.717 120.200 -0.267 0.000 2.106 142 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 142 E C 1.918 178.381 176.600 -0.228 0.000 0.984 142 E CA 1.386 57.619 56.400 -0.277 0.000 0.806 142 E CB -0.260 29.395 29.700 -0.075 0.000 0.750 142 E HN 0.320 nan 8.360 nan 0.000 0.458 143 D N -0.330 119.989 120.400 -0.135 0.000 2.106 143 D HA -0.214 4.425 4.640 -0.000 0.000 0.191 143 D C 1.678 177.905 176.300 -0.122 0.000 0.997 143 D CA 1.242 55.185 54.000 -0.096 0.000 0.834 143 D CB -0.460 40.310 40.800 -0.050 0.000 0.956 143 D HN 0.298 nan 8.370 nan 0.000 0.448 144 Y N 1.269 121.418 120.300 -0.252 0.000 2.097 144 Y HA -0.247 4.303 4.550 -0.000 0.000 0.282 144 Y C 2.238 177.972 175.900 -0.276 0.000 1.152 144 Y CA 1.389 59.335 58.100 -0.258 0.000 1.136 144 Y CB -0.626 37.675 38.460 -0.265 0.000 0.975 144 Y HN -0.162 nan 8.280 nan 0.000 0.498 145 V N 1.394 120.960 119.914 -0.580 0.000 2.380 145 V HA -0.365 3.754 4.120 -0.000 0.000 0.251 145 V C 2.136 178.029 176.094 -0.336 0.000 1.063 145 V CA 2.219 64.182 62.300 -0.561 0.000 1.055 145 V CB -0.781 30.716 31.823 -0.544 0.000 0.657 145 V HN 0.495 nan 8.190 nan 0.000 0.455 146 N N 0.353 118.899 118.700 -0.257 0.000 2.171 146 N HA -0.050 4.689 4.740 -0.000 0.000 0.184 146 N C 1.909 177.329 175.510 -0.149 0.000 1.021 146 N CA 1.573 54.532 53.050 -0.153 0.000 0.854 146 N CB -0.515 37.906 38.487 -0.110 0.000 0.994 146 N HN 0.473 nan 8.380 nan 0.000 0.426 147 A N 0.755 123.459 122.820 -0.193 0.000 1.972 147 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 147 A C 2.201 179.681 177.584 -0.173 0.000 1.169 147 A CA 0.916 52.856 52.037 -0.162 0.000 0.635 147 A CB -0.559 18.329 19.000 -0.187 0.000 0.810 147 A HN 0.234 nan 8.150 nan 0.000 0.446 148 L N 0.291 121.315 121.223 -0.332 0.000 2.072 148 L HA -0.090 4.250 4.340 -0.000 0.000 0.205 148 L C 1.883 178.716 176.870 -0.063 0.000 1.079 148 L CA 1.833 56.508 54.840 -0.275 0.000 0.752 148 L CB -0.634 41.115 42.059 -0.518 0.000 0.906 148 L HN 0.339 nan 8.230 nan 0.000 0.436 149 N N -0.873 117.793 118.700 -0.057 0.000 2.166 149 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 149 N C 1.847 177.370 175.510 0.023 0.000 1.019 149 N CA 1.441 54.495 53.050 0.006 0.000 0.856 149 N CB -0.195 38.294 38.487 0.003 0.000 0.993 149 N HN 0.340 nan 8.380 nan 0.000 0.426 150 S N 0.738 116.448 115.700 0.017 0.000 2.354 150 S HA -0.141 4.329 4.470 -0.000 0.000 0.219 150 S C 1.538 176.170 174.600 0.053 0.000 1.035 150 S CA 0.712 58.928 58.200 0.026 0.000 1.037 150 S CB -0.446 62.771 63.200 0.029 0.000 0.956 150 S HN 0.530 nan 8.310 nan 0.000 0.428 151 W N 2.541 123.800 121.300 -0.069 0.000 2.304 151 W HA -0.199 4.461 4.660 -0.000 0.000 0.315 151 W C 1.866 178.380 176.519 -0.008 0.000 1.233 151 W CA 1.678 59.003 57.345 -0.033 0.000 1.261 151 W CB -0.362 29.078 29.460 -0.034 0.000 1.150 151 W HN 0.303 nan 8.180 nan 0.000 0.494 152 K N 0.123 120.590 120.400 0.111 0.000 2.147 152 K HA -0.171 4.149 4.320 -0.000 0.000 0.205 152 K C 2.052 178.634 176.600 -0.030 0.000 1.049 152 K CA 1.419 57.744 56.287 0.063 0.000 0.936 152 K CB -0.200 32.375 32.500 0.124 0.000 0.722 152 K HN 0.133 nan 8.250 nan 0.000 0.446 153 K N 0.156 120.532 120.400 -0.039 0.000 2.305 153 K HA 0.009 4.329 4.320 -0.000 0.000 0.199 153 K C 0.279 176.821 176.600 -0.098 0.000 1.047 153 K CA 0.456 56.714 56.287 -0.048 0.000 0.976 153 K CB 0.254 32.739 32.500 -0.026 0.000 0.765 153 K HN 0.009 nan 8.250 nan 0.000 0.474 154 T N 3.969 118.418 114.554 -0.174 0.000 2.817 154 T HA 0.110 4.460 4.350 -0.000 0.000 0.295 154 T C -2.436 172.131 174.700 -0.222 0.000 0.958 154 T CA -1.151 60.822 62.100 -0.213 0.000 1.157 154 T CB 0.866 69.551 68.868 -0.305 0.000 0.898 154 T HN -0.056 nan 8.240 nan 0.000 0.536 155 P HA 0.115 nan 4.420 nan 0.000 0.267 155 P C 1.119 178.328 177.300 -0.150 0.000 1.200 155 P CA -0.257 62.773 63.100 -0.117 0.000 0.772 155 P CB 0.514 32.168 31.700 -0.077 0.000 0.855 156 L N 1.556 122.705 121.223 -0.124 0.000 1.978 156 L HA -0.290 4.050 4.340 -0.000 0.000 0.218 156 L C 2.381 179.196 176.870 -0.092 0.000 1.075 156 L CA 2.546 57.317 54.840 -0.116 0.000 0.767 156 L CB -1.384 40.639 42.059 -0.060 0.000 0.890 156 L HN 0.466 nan 8.230 nan 0.000 0.434 157 S N 0.000 115.662 115.700 -0.063 0.000 2.423 157 S HA -0.189 4.281 4.470 -0.000 0.000 0.238 157 S C 1.688 176.258 174.600 -0.051 0.000 1.028 157 S CA 1.317 59.490 58.200 -0.045 0.000 1.000 157 S CB -0.641 62.538 63.200 -0.034 0.000 0.797 157 S HN 0.443 nan 8.310 nan 0.000 0.487 158 L N 0.038 121.215 121.223 -0.077 0.000 2.640 158 L HA 0.272 4.612 4.340 -0.000 0.000 0.230 158 L C 0.658 177.472 176.870 -0.093 0.000 1.123 158 L CA -0.237 54.559 54.840 -0.073 0.000 0.900 158 L CB -0.035 41.980 42.059 -0.074 0.000 1.146 158 L HN 0.064 nan 8.230 nan 0.000 0.484 159 R N 0.995 121.416 120.500 -0.131 0.000 2.316 159 R HA 0.188 4.528 4.340 -0.000 0.000 0.314 159 R C 0.370 176.661 176.300 -0.014 0.000 1.069 159 R CA -0.100 55.909 56.100 -0.151 0.000 0.959 159 R CB 0.837 30.955 30.300 -0.303 0.000 0.987 159 R HN 0.127 nan 8.270 nan 0.000 0.446 160 S N 1.767 117.491 115.700 0.040 0.000 2.718 160 S HA 0.307 4.777 4.470 -0.000 0.000 0.300 160 S C 0.778 175.445 174.600 0.112 0.000 1.117 160 S CA -1.074 57.164 58.200 0.063 0.000 1.002 160 S CB 1.814 65.038 63.200 0.041 0.000 1.092 160 S HN 0.404 nan 8.310 nan 0.000 0.542 161 K N 0.549 120.996 120.400 0.078 0.000 2.211 161 K HA -0.015 4.304 4.320 -0.000 0.000 0.203 161 K C 2.104 178.738 176.600 0.056 0.000 1.050 161 K CA 0.731 57.060 56.287 0.071 0.000 0.945 161 K CB -0.370 32.156 32.500 0.043 0.000 0.732 161 K HN 0.616 nan 8.250 nan 0.000 0.451 162 R N 0.887 121.416 120.500 0.050 0.000 2.073 162 R HA -0.074 4.266 4.340 -0.000 0.000 0.234 162 R C 2.206 178.534 176.300 0.047 0.000 1.134 162 R CA 1.504 57.623 56.100 0.032 0.000 0.952 162 R CB -0.008 30.307 30.300 0.025 0.000 0.850 162 R HN 0.042 nan 8.270 nan 0.000 0.433 163 S N 0.883 116.649 115.700 0.111 0.000 2.353 163 S HA -0.186 4.283 4.470 -0.000 0.000 0.222 163 S C 1.870 176.557 174.600 0.145 0.000 1.035 163 S CA 1.336 59.656 58.200 0.200 0.000 1.025 163 S CB -0.199 63.224 63.200 0.372 0.000 0.902 163 S HN 0.421 nan 8.310 nan 0.000 0.440 164 Q N 0.767 120.674 119.800 0.179 0.000 1.985 164 Q HA -0.196 4.144 4.340 -0.000 0.000 0.207 164 Q C 1.893 177.775 176.000 -0.196 0.000 0.996 164 Q CA 1.643 57.415 55.803 -0.052 0.000 0.851 164 Q CB -0.444 28.335 28.738 0.068 0.000 0.921 164 Q HN 0.438 nan 8.270 nan 0.000 0.418 165 D N -0.014 120.325 120.400 -0.102 0.000 2.133 165 D HA -0.198 4.442 4.640 -0.000 0.000 0.192 165 D C 1.828 178.039 176.300 -0.149 0.000 1.001 165 D CA 1.206 55.136 54.000 -0.117 0.000 0.844 165 D CB -0.269 40.498 40.800 -0.055 0.000 0.944 165 D HN 0.187 nan 8.370 nan 0.000 0.447 166 R N 0.132 120.558 120.500 -0.123 0.000 2.061 166 R HA -0.119 4.220 4.340 -0.000 0.000 0.230 166 R C 2.498 178.668 176.300 -0.217 0.000 1.140 166 R CA 0.946 56.970 56.100 -0.126 0.000 0.940 166 R CB -0.577 29.680 30.300 -0.071 0.000 0.839 166 R HN 0.125 nan 8.270 nan 0.000 0.429 167 I N 1.322 121.687 120.570 -0.342 0.000 2.194 167 I HA -0.312 3.857 4.170 -0.000 0.000 0.246 167 I C 2.296 178.012 176.117 -0.668 0.000 1.093 167 I CA 1.658 62.610 61.300 -0.579 0.000 1.355 167 I CB -0.131 37.283 38.000 -0.977 0.000 1.046 167 I HN 0.175 nan 8.210 nan 0.000 0.413 168 R N 0.071 120.167 120.500 -0.674 0.000 2.080 168 R HA -0.242 4.098 4.340 -0.000 0.000 0.236 168 R C 2.368 178.595 176.300 -0.123 0.000 1.137 168 R CA 1.951 57.764 56.100 -0.479 0.000 0.943 168 R CB -0.612 29.355 30.300 -0.555 0.000 0.846 168 R HN 0.528 nan 8.270 nan 0.000 0.431 169 E N 0.796 120.924 120.200 -0.120 0.000 2.147 169 E HA -0.229 4.121 4.350 -0.000 0.000 0.199 169 E C 1.943 178.533 176.600 -0.017 0.000 1.005 169 E CA 1.139 57.519 56.400 -0.034 0.000 0.810 169 E CB -0.001 29.666 29.700 -0.054 0.000 0.736 169 E HN 0.311 nan 8.360 nan 0.000 0.460 170 L N -0.362 120.833 121.223 -0.046 0.000 2.095 170 L HA -0.097 4.243 4.340 -0.000 0.000 0.204 170 L C 2.371 179.234 176.870 -0.012 0.000 1.080 170 L CA 0.770 55.604 54.840 -0.009 0.000 0.759 170 L CB -0.372 41.696 42.059 0.014 0.000 0.914 170 L HN 0.223 nan 8.230 nan 0.000 0.439 171 F N 0.763 120.617 119.950 -0.161 0.000 2.075 171 F HA -0.260 4.267 4.527 -0.000 0.000 0.297 171 F C 2.622 178.342 175.800 -0.132 0.000 1.113 171 F CA 1.949 59.779 58.000 -0.284 0.000 1.218 171 F CB -0.174 38.646 39.000 -0.301 0.000 0.984 171 F HN -0.044 nan 8.300 nan 0.000 0.472 172 S N -0.305 115.495 115.700 0.166 0.000 2.419 172 S HA -0.270 4.200 4.470 -0.000 0.000 0.233 172 S C 1.838 176.446 174.600 0.014 0.000 1.016 172 S CA 1.336 59.644 58.200 0.180 0.000 0.974 172 S CB -0.476 62.907 63.200 0.304 0.000 0.786 172 S HN 0.595 nan 8.310 nan 0.000 0.492 173 Q N 1.168 120.950 119.800 -0.031 0.000 2.062 173 Q HA 0.047 4.386 4.340 -0.000 0.000 0.196 173 Q C 2.278 178.254 176.000 -0.040 0.000 0.967 173 Q CA 1.153 56.940 55.803 -0.027 0.000 0.832 173 Q CB -0.390 28.337 28.738 -0.018 0.000 0.899 173 Q HN 0.518 nan 8.270 nan 0.000 0.442 174 A N 0.983 123.726 122.820 -0.128 0.000 1.858 174 A HA -0.225 4.094 4.320 -0.000 0.000 0.216 174 A C 2.068 179.608 177.584 -0.073 0.000 1.190 174 A CA 1.658 53.642 52.037 -0.087 0.000 0.617 174 A CB -0.865 18.008 19.000 -0.211 0.000 0.827 174 A HN 0.511 nan 8.150 nan 0.000 0.443 175 E N 0.139 120.121 120.200 -0.364 0.000 2.058 175 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 175 E C 2.329 178.879 176.600 -0.084 0.000 0.997 175 E CA 1.574 57.786 56.400 -0.313 0.000 0.801 175 E CB -0.308 29.078 29.700 -0.524 0.000 0.746 175 E HN 0.508 nan 8.360 nan 0.000 0.450 176 S N -0.831 114.858 115.700 -0.018 0.000 2.368 176 S HA -0.185 4.285 4.470 -0.000 0.000 0.224 176 S C 2.075 176.693 174.600 0.030 0.000 1.029 176 S CA 1.567 59.787 58.200 0.033 0.000 0.988 176 S CB -0.486 62.739 63.200 0.042 0.000 0.838 176 S HN 0.553 nan 8.310 nan 0.000 0.462 177 H N -1.299 117.709 119.070 -0.104 0.000 2.353 177 H HA -0.095 4.460 4.556 -0.001 0.000 0.300 177 H C 1.847 177.045 175.328 -0.217 0.000 1.090 177 H CA 1.803 57.754 56.048 -0.161 0.000 1.327 177 H CB -0.203 29.444 29.762 -0.192 0.000 1.383 177 H HN 0.508 nan 8.280 nan 0.000 0.508 178 F N 0.622 120.397 119.950 -0.291 0.000 2.102 178 F HA -0.136 4.391 4.527 -0.001 0.000 0.298 178 F C 3.006 178.502 175.800 -0.506 0.000 1.105 178 F CA 1.435 59.129 58.000 -0.509 0.000 1.239 178 F CB -0.231 38.304 39.000 -0.775 0.000 0.991 178 F HN 0.058 nan 8.300 nan 0.000 0.474 179 R N 0.446 120.768 120.500 -0.297 0.000 2.096 179 R HA -0.190 4.150 4.340 -0.000 0.000 0.240 179 R C 1.782 178.086 176.300 0.007 0.000 1.139 179 R CA 1.908 57.986 56.100 -0.037 0.000 0.952 179 R CB -0.263 30.107 30.300 0.117 0.000 0.854 179 R HN 0.242 nan 8.270 nan 0.000 0.436 180 N N -0.440 118.246 118.700 -0.024 0.000 2.446 180 N HA -0.024 4.716 4.740 -0.000 0.000 0.179 180 N C 1.417 176.863 175.510 -0.106 0.000 1.054 180 N CA 0.779 53.804 53.050 -0.042 0.000 0.905 180 N CB 0.277 38.740 38.487 -0.041 0.000 0.973 180 N HN 0.131 nan 8.380 nan 0.000 0.448 181 S N 1.079 116.692 115.700 -0.145 0.000 2.395 181 S HA 0.043 4.513 4.470 -0.000 0.000 0.225 181 S C 1.938 176.204 174.600 -0.557 0.000 1.027 181 S CA 0.449 58.457 58.200 -0.320 0.000 0.965 181 S CB -0.007 62.991 63.200 -0.338 0.000 0.812 181 S HN 0.152 nan 8.310 nan 0.000 0.482 182 M N 1.014 120.404 119.600 -0.350 0.000 2.146 182 M HA -0.167 4.313 4.480 -0.000 0.000 0.251 182 M C -0.915 175.170 176.300 -0.358 0.000 1.083 182 M CA 1.738 56.850 55.300 -0.314 0.000 1.076 182 M CB -2.867 29.697 32.600 -0.060 0.000 1.332 182 M HN 0.143 nan 8.290 nan 0.000 0.400 183 P HA -0.058 nan 4.420 nan 0.000 0.218 183 P C 1.452 178.540 177.300 -0.354 0.000 1.148 183 P CA 1.268 64.252 63.100 -0.194 0.000 0.822 183 P CB -0.136 31.495 31.700 -0.115 0.000 0.784 184 S N -1.361 113.955 115.700 -0.640 0.000 2.465 184 S HA -0.106 4.364 4.470 -0.000 0.000 0.241 184 S C 0.886 174.949 174.600 -0.895 0.000 1.000 184 S CA 1.102 58.862 58.200 -0.733 0.000 0.964 184 S CB -1.001 61.697 63.200 -0.835 0.000 0.763 184 S HN 0.298 nan 8.310 nan 0.000 0.512 185 F N -0.191 119.448 119.950 -0.520 0.000 2.708 185 F HA 0.558 5.084 4.527 -0.001 0.000 0.300 185 F C 0.960 176.587 175.800 -0.289 0.000 1.118 185 F CA -0.399 57.121 58.000 -0.800 0.000 1.307 185 F CB 0.492 39.273 39.000 -0.365 0.000 0.986 185 F HN 0.111 nan 8.300 nan 0.000 0.522 186 A N 0.217 122.988 122.820 -0.081 0.000 2.573 186 A HA 0.478 4.798 4.320 -0.000 0.000 0.269 186 A C 0.064 177.675 177.584 0.044 0.000 0.901 186 A CA -0.248 51.822 52.037 0.056 0.000 1.066 186 A CB -0.633 18.412 19.000 0.074 0.000 1.221 186 A HN 0.020 nan 8.150 nan 0.000 0.483 187 V N 0.400 120.379 119.914 0.108 0.000 3.209 187 V HA 0.067 4.187 4.120 -0.000 0.000 0.305 187 V C 1.401 177.590 176.094 0.159 0.000 1.127 187 V CA 0.272 62.690 62.300 0.197 0.000 1.235 187 V CB 1.037 33.106 31.823 0.410 0.000 0.987 187 V HN 0.527 nan 8.190 nan 0.000 0.499 188 S N 2.242 118.014 115.700 0.120 0.000 2.549 188 S HA 0.153 4.623 4.470 -0.000 0.000 0.286 188 S C 0.972 175.463 174.600 -0.182 0.000 1.314 188 S CA 0.367 58.564 58.200 -0.004 0.000 1.062 188 S CB -0.420 62.796 63.200 0.027 0.000 0.865 188 S HN 0.937 nan 8.310 nan 0.000 0.498 189 K N 2.675 122.892 120.400 -0.305 0.000 3.209 189 K HA -0.191 4.129 4.320 -0.000 0.000 0.289 189 K C -0.798 175.249 176.600 -0.923 0.000 1.191 189 K CA 1.344 57.288 56.287 -0.571 0.000 0.851 189 K CB -1.625 30.478 32.500 -0.661 0.000 1.242 189 K HN 0.694 nan 8.250 nan 0.000 0.480 190 F N -0.729 119.169 119.950 -0.087 0.000 2.505 190 F HA 0.202 4.730 4.527 0.001 0.000 0.383 190 F C 0.833 176.593 175.800 -0.068 0.000 1.509 190 F CA -0.881 57.078 58.000 -0.068 0.000 1.101 190 F CB 0.901 39.901 39.000 -0.001 0.000 1.367 190 F HN -0.018 nan 8.300 nan 0.000 0.523 191 E N 0.074 120.133 120.200 -0.234 0.000 2.127 191 E HA -0.031 4.319 4.350 -0.000 0.000 0.191 191 E C 2.100 178.619 176.600 -0.135 0.000 0.964 191 E CA 0.607 56.693 56.400 -0.525 0.000 0.832 191 E CB 0.117 28.585 29.700 -2.052 0.000 0.790 191 E HN 0.197 nan 8.360 nan 0.000 0.465 192 V N 1.136 121.075 119.914 0.041 0.000 2.490 192 V HA -0.219 3.901 4.120 -0.000 0.000 0.250 192 V C 2.080 178.295 176.094 0.203 0.000 1.061 192 V CA 1.431 63.878 62.300 0.245 0.000 1.064 192 V CB -0.353 31.630 31.823 0.266 0.000 0.670 192 V HN 0.244 nan 8.190 nan 0.000 0.461 193 L N -1.970 119.324 121.223 0.118 0.000 2.209 193 L HA 0.047 4.387 4.340 -0.000 0.000 0.207 193 L C 2.025 178.886 176.870 -0.015 0.000 1.094 193 L CA 1.188 56.046 54.840 0.030 0.000 0.790 193 L CB -0.245 41.776 42.059 -0.064 0.000 0.932 193 L HN 0.240 nan 8.230 nan 0.000 0.447 194 F N -1.085 118.929 119.950 0.107 0.000 2.811 194 F HA -0.093 4.433 4.527 -0.001 0.000 0.301 194 F C 1.945 177.836 175.800 0.151 0.000 1.151 194 F CA -0.340 57.736 58.000 0.126 0.000 1.412 194 F CB 0.257 39.356 39.000 0.166 0.000 1.113 194 F HN 0.008 nan 8.300 nan 0.000 0.579 195 L N 1.514 122.914 121.223 0.294 0.000 1.991 195 L HA -0.211 4.129 4.340 -0.000 0.000 0.221 195 L C -0.533 176.451 176.870 0.191 0.000 1.079 195 L CA 2.550 57.542 54.840 0.253 0.000 0.778 195 L CB -1.818 40.364 42.059 0.204 0.000 0.893 195 L HN -0.038 nan 8.230 nan 0.000 0.437 196 P HA -0.092 nan 4.420 nan 0.000 0.217 196 P C 1.640 178.795 177.300 -0.242 0.000 1.150 196 P CA 1.671 64.687 63.100 -0.139 0.000 0.832 196 P CB -0.117 31.495 31.700 -0.147 0.000 0.787 197 T N -1.349 113.199 114.554 -0.010 0.000 2.652 197 T HA -0.234 4.116 4.350 -0.000 0.000 0.267 197 T C 1.627 176.285 174.700 -0.069 0.000 1.039 197 T CA 1.426 63.547 62.100 0.035 0.000 1.153 197 T CB -1.241 67.722 68.868 0.158 0.000 0.863 197 T HN 0.103 nan 8.240 nan 0.000 0.428 198 Y N 1.995 122.273 120.300 -0.037 0.000 2.070 198 Y HA -0.138 4.413 4.550 0.001 0.000 0.280 198 Y C 2.624 178.522 175.900 -0.003 0.000 1.148 198 Y CA 1.405 59.514 58.100 0.016 0.000 1.125 198 Y CB -0.724 37.817 38.460 0.135 0.000 0.975 198 Y HN 0.187 nan 8.280 nan 0.000 0.492 199 A N 0.277 123.278 122.820 0.303 0.000 1.892 199 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 199 A C 2.085 179.737 177.584 0.113 0.000 1.188 199 A CA 2.058 54.234 52.037 0.230 0.000 0.631 199 A CB -0.797 18.292 19.000 0.148 0.000 0.822 199 A HN 0.614 nan 8.150 nan 0.000 0.447 200 Q N -0.704 119.085 119.800 -0.019 0.000 2.124 200 Q HA -0.118 4.221 4.340 -0.000 0.000 0.202 200 Q C 2.413 178.528 176.000 0.192 0.000 0.977 200 Q CA 1.671 57.482 55.803 0.014 0.000 0.850 200 Q CB -0.681 27.899 28.738 -0.262 0.000 0.901 200 Q HN 0.690 nan 8.270 nan 0.000 0.429 201 A N 0.953 123.825 122.820 0.086 0.000 1.897 201 A HA 0.040 4.360 4.320 -0.000 0.000 0.215 201 A C 2.360 179.975 177.584 0.051 0.000 1.181 201 A CA 1.542 53.684 52.037 0.176 0.000 0.620 201 A CB -0.644 18.301 19.000 -0.090 0.000 0.821 201 A HN 0.339 nan 8.150 nan 0.000 0.443 202 A N 0.781 123.433 122.820 -0.280 0.000 1.873 202 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 202 A C 1.953 179.361 177.584 -0.294 0.000 1.193 202 A CA 2.367 54.031 52.037 -0.621 0.000 0.629 202 A CB -0.973 17.538 19.000 -0.814 0.000 0.826 202 A HN 0.636 nan 8.150 nan 0.000 0.447 203 N N -0.831 117.858 118.700 -0.018 0.000 2.192 203 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 203 N C 1.542 177.062 175.510 0.016 0.000 1.013 203 N CA 2.307 55.407 53.050 0.083 0.000 0.863 203 N CB -0.334 38.431 38.487 0.462 0.000 0.990 203 N HN 0.444 nan 8.380 nan 0.000 0.430 204 T N -1.657 112.929 114.554 0.054 0.000 2.896 204 T HA -0.083 4.267 4.350 -0.000 0.000 0.263 204 T C 1.502 175.888 174.700 -0.522 0.000 1.050 204 T CA 0.896 62.920 62.100 -0.128 0.000 1.140 204 T CB -0.463 68.398 68.868 -0.011 0.000 0.877 204 T HN 0.459 nan 8.240 nan 0.000 0.457 205 H N 0.721 119.391 119.070 -0.667 0.000 2.352 205 H HA 0.002 4.558 4.556 -0.001 0.000 0.299 205 H C 2.047 177.148 175.328 -0.380 0.000 1.097 205 H CA 0.921 56.569 56.048 -0.666 0.000 1.311 205 H CB -0.077 29.519 29.762 -0.276 0.000 1.377 205 H HN 0.244 nan 8.280 nan 0.000 0.504 206 L N 0.300 121.371 121.223 -0.252 0.000 2.072 206 L HA -0.153 4.187 4.340 -0.000 0.000 0.205 206 L C 2.634 179.322 176.870 -0.303 0.000 1.079 206 L CA 0.489 55.177 54.840 -0.253 0.000 0.752 206 L CB -0.267 41.656 42.059 -0.228 0.000 0.906 206 L HN 0.346 nan 8.230 nan 0.000 0.436 207 L N -0.335 120.615 121.223 -0.455 0.000 2.191 207 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 207 L C 2.445 179.275 176.870 -0.068 0.000 1.103 207 L CA 0.789 55.335 54.840 -0.489 0.000 0.769 207 L CB -0.086 41.795 42.059 -0.297 0.000 0.908 207 L HN 0.298 nan 8.230 nan 0.000 0.438 208 L N -0.777 120.387 121.223 -0.097 0.000 2.102 208 L HA -0.082 4.258 4.340 -0.000 0.000 0.202 208 L C 2.189 179.132 176.870 0.122 0.000 1.076 208 L CA 1.410 56.252 54.840 0.003 0.000 0.761 208 L CB -0.256 41.605 42.059 -0.330 0.000 0.921 208 L HN 0.038 nan 8.230 nan 0.000 0.444 209 L N 0.104 121.323 121.223 -0.008 0.000 2.042 209 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 209 L C 2.582 179.521 176.870 0.115 0.000 1.076 209 L CA 1.929 56.814 54.840 0.074 0.000 0.749 209 L CB -0.638 41.384 42.059 -0.062 0.000 0.893 209 L HN 0.384 nan 8.230 nan 0.000 0.432 210 K N -0.834 119.611 120.400 0.074 0.000 2.152 210 K HA -0.204 4.116 4.320 -0.000 0.000 0.206 210 K C 1.452 178.091 176.600 0.064 0.000 1.048 210 K CA 1.784 58.123 56.287 0.086 0.000 0.933 210 K CB -0.531 32.025 32.500 0.092 0.000 0.721 210 K HN 0.103 nan 8.250 nan 0.000 0.447 211 D N 1.006 121.515 120.400 0.181 0.000 2.221 211 D HA -0.120 4.520 4.640 -0.000 0.000 0.204 211 D C 1.829 178.064 176.300 -0.109 0.000 0.982 211 D CA 1.496 55.641 54.000 0.243 0.000 0.857 211 D CB -0.263 40.954 40.800 0.695 0.000 0.934 211 D HN 0.459 nan 8.370 nan 0.000 0.475 212 A N 0.384 123.064 122.820 -0.234 0.000 1.969 212 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 212 A C 2.006 179.421 177.584 -0.282 0.000 1.169 212 A CA 1.101 52.862 52.037 -0.460 0.000 0.635 212 A CB -0.167 18.519 19.000 -0.524 0.000 0.810 212 A HN 0.076 nan 8.150 nan 0.000 0.445 213 Q N -0.587 119.101 119.800 -0.187 0.000 2.269 213 Q HA 0.037 4.377 4.340 -0.000 0.000 0.201 213 Q C 2.159 177.933 176.000 -0.377 0.000 0.946 213 Q CA 1.137 56.830 55.803 -0.184 0.000 0.877 213 Q CB -0.483 28.229 28.738 -0.044 0.000 0.963 213 Q HN 0.502 nan 8.270 nan 0.000 0.472 214 V N -0.462 119.122 119.914 -0.551 0.000 2.331 214 V HA -0.089 4.031 4.120 -0.000 0.000 0.242 214 V C 1.582 177.013 176.094 -1.103 0.000 1.034 214 V CA 1.468 63.200 62.300 -0.947 0.000 1.027 214 V CB -0.384 30.741 31.823 -1.163 0.000 0.667 214 V HN 0.169 nan 8.190 nan 0.000 0.457 215 F N 0.489 119.994 119.950 -0.742 0.000 2.678 215 F HA 0.330 4.857 4.527 -0.000 0.000 0.291 215 F C 2.336 177.471 175.800 -1.108 0.000 1.123 215 F CA 0.568 57.890 58.000 -1.130 0.000 1.395 215 F CB -0.917 36.833 39.000 -2.085 0.000 1.121 215 F HN 0.167 nan 8.300 nan 0.000 0.592 216 G N 0.850 109.285 108.800 -0.609 0.000 2.703 216 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.222 216 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.222 216 G C 1.550 176.492 174.900 0.070 0.000 1.183 216 G CA 1.750 46.808 45.100 -0.070 0.000 0.775 216 G HN 0.441 nan 8.290 nan 0.000 0.615 217 E N 0.906 121.084 120.200 -0.036 0.000 2.110 217 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 217 E C 2.502 179.143 176.600 0.068 0.000 0.988 217 E CA 1.430 57.846 56.400 0.028 0.000 0.804 217 E CB -0.214 29.478 29.700 -0.013 0.000 0.745 217 E HN 0.806 nan 8.360 nan 0.000 0.458 218 E N -0.802 119.429 120.200 0.052 0.000 2.358 218 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 218 E C 1.357 178.151 176.600 0.324 0.000 1.010 218 E CA 0.265 56.796 56.400 0.219 0.000 0.856 218 E CB -0.267 29.632 29.700 0.333 0.000 0.795 218 E HN 0.365 nan 8.360 nan 0.000 0.504 219 W N 0.986 122.263 121.300 -0.038 0.000 2.905 219 W HA 0.281 4.941 4.660 -0.001 0.000 0.251 219 W C 1.474 177.842 176.519 -0.251 0.000 1.305 219 W CA 1.144 58.291 57.345 -0.329 0.000 1.465 219 W CB 0.372 29.569 29.460 -0.439 0.000 1.122 219 W HN 0.419 nan 8.180 nan 0.000 0.659 220 G N -1.765 107.105 108.800 0.116 0.000 2.201 220 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.212 220 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.212 220 G C 0.055 174.991 174.900 0.060 0.000 0.994 220 G CA -0.471 44.655 45.100 0.043 0.000 0.644 220 G HN 0.218 nan 8.290 nan 0.000 0.508 221 Y N 2.456 122.843 120.300 0.145 0.000 2.457 221 Y HA 0.379 4.929 4.550 -0.000 0.000 0.341 221 Y C 1.591 177.537 175.900 0.076 0.000 1.240 221 Y CA 0.349 58.525 58.100 0.126 0.000 1.437 221 Y CB 0.789 39.359 38.460 0.182 0.000 1.328 221 Y HN 0.378 nan 8.280 nan 0.000 0.588 222 S N -0.270 115.577 115.700 0.245 0.000 2.738 222 S HA 0.214 4.683 4.470 -0.000 0.000 0.284 222 S C 1.047 175.695 174.600 0.080 0.000 1.146 222 S CA -0.497 57.776 58.200 0.123 0.000 0.997 222 S CB 1.352 64.602 63.200 0.083 0.000 1.081 222 S HN 0.682 nan 8.310 nan 0.000 0.553 223 S N 0.956 116.680 115.700 0.039 0.000 2.359 223 S HA -0.163 4.307 4.470 -0.000 0.000 0.223 223 S C 1.846 176.440 174.600 -0.010 0.000 1.039 223 S CA 2.025 60.231 58.200 0.010 0.000 1.042 223 S CB -0.836 62.364 63.200 0.001 0.000 0.915 223 S HN 0.793 nan 8.310 nan 0.000 0.439 224 E N 1.443 121.630 120.200 -0.020 0.000 2.033 224 E HA -0.151 4.198 4.350 -0.000 0.000 0.199 224 E C 1.889 178.425 176.600 -0.107 0.000 1.011 224 E CA 1.447 57.810 56.400 -0.061 0.000 0.815 224 E CB -0.403 29.265 29.700 -0.053 0.000 0.755 224 E HN 0.395 nan 8.360 nan 0.000 0.451 225 D N -0.114 120.232 120.400 -0.090 0.000 2.103 225 D HA -0.154 4.486 4.640 -0.000 0.000 0.190 225 D C 2.085 178.228 176.300 -0.262 0.000 0.997 225 D CA 1.452 55.322 54.000 -0.217 0.000 0.833 225 D CB -0.344 40.419 40.800 -0.063 0.000 0.961 225 D HN 0.026 nan 8.370 nan 0.000 0.447 226 V N 1.604 121.487 119.914 -0.053 0.000 2.392 226 V HA -0.255 3.865 4.120 -0.000 0.000 0.249 226 V C 2.534 178.678 176.094 0.084 0.000 1.059 226 V CA 1.872 64.211 62.300 0.065 0.000 1.051 226 V CB -0.758 31.092 31.823 0.045 0.000 0.658 226 V HN 0.199 nan 8.190 nan 0.000 0.455 227 A N -0.559 122.271 122.820 0.017 0.000 1.969 227 A HA -0.203 4.116 4.320 -0.000 0.000 0.218 227 A C 2.146 179.768 177.584 0.064 0.000 1.169 227 A CA 1.630 53.718 52.037 0.085 0.000 0.635 227 A CB -0.412 18.602 19.000 0.024 0.000 0.810 227 A HN 0.590 nan 8.150 nan 0.000 0.445 228 E N -0.802 119.315 120.200 -0.139 0.000 2.110 228 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 228 E C 1.560 178.122 176.600 -0.063 0.000 0.988 228 E CA 1.413 57.683 56.400 -0.217 0.000 0.804 228 E CB -0.301 29.166 29.700 -0.389 0.000 0.745 228 E HN 0.768 nan 8.360 nan 0.000 0.458 229 F N -0.871 119.106 119.950 0.046 0.000 2.113 229 F HA -0.218 4.309 4.527 -0.001 0.000 0.297 229 F C 2.257 178.133 175.800 0.127 0.000 1.103 229 F CA 0.807 58.853 58.000 0.076 0.000 1.248 229 F CB -0.272 38.764 39.000 0.059 0.000 0.999 229 F HN 0.075 nan 8.300 nan 0.000 0.475 230 Y N 0.554 120.993 120.300 0.230 0.000 2.097 230 Y HA -0.310 4.240 4.550 -0.000 0.000 0.282 230 Y C 2.777 178.756 175.900 0.131 0.000 1.152 230 Y CA 1.855 60.044 58.100 0.148 0.000 1.136 230 Y CB -0.974 37.562 38.460 0.127 0.000 0.975 230 Y HN 0.082 nan 8.280 nan 0.000 0.498 231 H N -0.682 118.466 119.070 0.131 0.000 2.319 231 H HA -0.231 4.324 4.556 -0.000 0.000 0.297 231 H C 2.480 177.777 175.328 -0.051 0.000 1.097 231 H CA 1.832 57.890 56.048 0.018 0.000 1.285 231 H CB -0.130 29.651 29.762 0.032 0.000 1.368 231 H HN 0.286 nan 8.280 nan 0.000 0.495 232 R N 1.126 121.698 120.500 0.120 0.000 2.081 232 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 232 R C 2.481 178.723 176.300 -0.096 0.000 1.131 232 R CA 1.743 57.855 56.100 0.020 0.000 0.960 232 R CB -0.098 30.250 30.300 0.080 0.000 0.856 232 R HN 0.379 nan 8.270 nan 0.000 0.436 233 Q N 0.437 120.180 119.800 -0.095 0.000 2.050 233 Q HA -0.167 4.172 4.340 -0.000 0.000 0.202 233 Q C 2.122 177.968 176.000 -0.256 0.000 0.980 233 Q CA 1.790 57.478 55.803 -0.192 0.000 0.840 233 Q CB -0.092 28.553 28.738 -0.154 0.000 0.898 233 Q HN 0.442 nan 8.270 nan 0.000 0.424 234 L N 0.350 121.398 121.223 -0.293 0.000 2.083 234 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 234 L C 2.662 179.414 176.870 -0.197 0.000 1.083 234 L CA 1.389 56.072 54.840 -0.262 0.000 0.752 234 L CB -0.490 41.390 42.059 -0.298 0.000 0.899 234 L HN 0.228 nan 8.230 nan 0.000 0.433 235 K N 0.430 120.722 120.400 -0.180 0.000 2.097 235 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 235 K C 2.093 178.537 176.600 -0.259 0.000 1.050 235 K CA 0.963 57.153 56.287 -0.161 0.000 0.938 235 K CB 0.100 32.536 32.500 -0.106 0.000 0.718 235 K HN 0.253 nan 8.250 nan 0.000 0.442 236 L N -0.365 120.633 121.223 -0.374 0.000 2.162 236 L HA -0.065 4.275 4.340 -0.000 0.000 0.205 236 L C 2.211 178.721 176.870 -0.600 0.000 1.086 236 L CA 0.800 55.230 54.840 -0.683 0.000 0.778 236 L CB -0.428 41.086 42.059 -0.908 0.000 0.928 236 L HN 0.125 nan 8.230 nan 0.000 0.446 237 T N -0.577 113.734 114.554 -0.405 0.000 2.737 237 T HA -0.271 4.079 4.350 -0.000 0.000 0.269 237 T C 1.855 176.238 174.700 -0.527 0.000 1.040 237 T CA 1.496 63.393 62.100 -0.339 0.000 1.142 237 T CB -0.139 68.538 68.868 -0.318 0.000 0.861 237 T HN 0.323 nan 8.240 nan 0.000 0.456 238 Q N 0.723 120.205 119.800 -0.530 0.000 2.049 238 Q HA -0.094 4.246 4.340 -0.000 0.000 0.198 238 Q C 2.322 178.173 176.000 -0.247 0.000 0.971 238 Q CA 1.334 56.828 55.803 -0.515 0.000 0.833 238 Q CB -0.174 28.502 28.738 -0.104 0.000 0.896 238 Q HN 0.603 nan 8.270 nan 0.000 0.434 239 Q N -0.646 119.041 119.800 -0.189 0.000 2.020 239 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 239 Q C 2.044 178.139 176.000 0.159 0.000 0.982 239 Q CA 1.619 57.392 55.803 -0.050 0.000 0.838 239 Q CB -0.206 28.455 28.738 -0.129 0.000 0.899 239 Q HN 0.431 nan 8.270 nan 0.000 0.423 240 Y N 0.535 120.921 120.300 0.143 0.000 2.181 240 Y HA -0.192 4.357 4.550 -0.001 0.000 0.288 240 Y C 2.610 178.720 175.900 0.349 0.000 1.146 240 Y CA 1.185 59.491 58.100 0.344 0.000 1.164 240 Y CB -1.108 37.522 38.460 0.282 0.000 0.982 240 Y HN 0.094 nan 8.280 nan 0.000 0.515 241 T N -0.005 114.723 114.554 0.290 0.000 2.643 241 T HA -0.174 4.176 4.350 -0.000 0.000 0.264 241 T C 1.470 176.221 174.700 0.086 0.000 1.045 241 T CA 1.772 63.914 62.100 0.069 0.000 1.155 241 T CB -0.420 68.279 68.868 -0.281 0.000 0.863 241 T HN 0.253 nan 8.240 nan 0.000 0.420 242 D N -0.141 120.285 120.400 0.043 0.000 2.123 242 D HA -0.099 4.541 4.640 -0.000 0.000 0.196 242 D C 1.833 178.222 176.300 0.147 0.000 0.992 242 D CA 1.248 55.287 54.000 0.066 0.000 0.833 242 D CB -0.531 40.295 40.800 0.043 0.000 0.954 242 D HN 0.563 nan 8.370 nan 0.000 0.455 243 H N -0.183 118.981 119.070 0.156 0.000 2.319 243 H HA -0.122 4.434 4.556 0.000 0.000 0.299 243 H C 2.086 177.532 175.328 0.196 0.000 1.092 243 H CA 2.216 58.375 56.048 0.186 0.000 1.302 243 H CB -0.238 29.628 29.762 0.174 0.000 1.373 243 H HN 0.092 nan 8.280 nan 0.000 0.497 244 C N -0.462 119.049 119.300 0.352 0.000 2.436 244 C HA -0.126 4.334 4.460 -0.000 0.000 0.277 244 C C 2.947 178.045 174.990 0.181 0.000 1.241 244 C CA 0.985 60.168 59.018 0.275 0.000 1.721 244 C CB -0.885 27.012 27.740 0.262 0.000 2.043 244 C HN 0.512 nan 8.230 nan 0.000 0.472 245 V N 2.329 122.333 119.914 0.151 0.000 2.332 245 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 245 V C 2.526 178.677 176.094 0.094 0.000 1.055 245 V CA 2.350 64.747 62.300 0.161 0.000 1.038 245 V CB -0.869 31.092 31.823 0.231 0.000 0.651 245 V HN 0.633 nan 8.190 nan 0.000 0.450 246 N N -0.467 118.186 118.700 -0.078 0.000 2.084 246 N HA -0.216 4.524 4.740 -0.000 0.000 0.190 246 N C 1.697 176.871 175.510 -0.561 0.000 1.030 246 N CA 2.022 54.857 53.050 -0.359 0.000 0.849 246 N CB -0.303 37.857 38.487 -0.545 0.000 1.012 246 N HN 0.633 nan 8.380 nan 0.000 0.423 247 W N -0.095 121.155 121.300 -0.083 0.000 2.678 247 W HA 0.003 4.663 4.660 -0.000 0.000 0.256 247 W C 1.993 178.566 176.519 0.090 0.000 1.280 247 W CA -0.057 57.251 57.345 -0.061 0.000 1.345 247 W CB -0.422 28.929 29.460 -0.182 0.000 1.118 247 W HN 0.170 nan 8.180 nan 0.000 0.629 248 Y N 1.609 121.998 120.300 0.147 0.000 2.206 248 Y HA -0.168 4.382 4.550 0.000 0.000 0.292 248 Y C 2.064 178.061 175.900 0.162 0.000 1.123 248 Y CA 1.768 60.005 58.100 0.229 0.000 1.142 248 Y CB -0.723 37.814 38.460 0.129 0.000 1.006 248 Y HN -0.221 nan 8.280 nan 0.000 0.518 249 N N 0.104 118.785 118.700 -0.031 0.000 2.166 249 N HA -0.161 4.579 4.740 -0.000 0.000 0.186 249 N C 1.986 177.379 175.510 -0.195 0.000 1.019 249 N CA 1.640 54.599 53.050 -0.152 0.000 0.856 249 N CB -0.616 37.841 38.487 -0.049 0.000 0.993 249 N HN 0.319 nan 8.380 nan 0.000 0.426 250 V N 0.659 120.474 119.914 -0.165 0.000 2.295 250 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 250 V C 2.365 178.382 176.094 -0.127 0.000 1.049 250 V CA 2.095 64.316 62.300 -0.130 0.000 1.024 250 V CB -1.133 30.625 31.823 -0.108 0.000 0.648 250 V HN 0.357 nan 8.190 nan 0.000 0.447 251 G N -0.542 108.183 108.800 -0.123 0.000 2.394 251 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.215 251 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.215 251 G C 1.559 175.916 174.900 -0.906 0.000 1.165 251 G CA 0.936 45.803 45.100 -0.388 0.000 0.784 251 G HN 0.409 nan 8.290 nan 0.000 0.535 252 L N 1.481 122.168 121.223 -0.894 0.000 1.971 252 L HA -0.093 4.246 4.340 -0.000 0.000 0.215 252 L C 2.231 178.865 176.870 -0.393 0.000 1.072 252 L CA 2.207 56.543 54.840 -0.840 0.000 0.758 252 L CB -0.752 40.876 42.059 -0.720 0.000 0.889 252 L HN 0.122 nan 8.230 nan 0.000 0.433 253 N N -0.048 118.516 118.700 -0.226 0.000 2.443 253 N HA -0.083 4.657 4.740 -0.000 0.000 0.184 253 N C 1.634 177.082 175.510 -0.103 0.000 1.037 253 N CA 1.069 54.075 53.050 -0.072 0.000 0.896 253 N CB -0.558 37.885 38.487 -0.074 0.000 0.959 253 N HN 0.561 nan 8.380 nan 0.000 0.442 254 G N -0.530 108.159 108.800 -0.185 0.000 2.650 254 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.214 254 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.214 254 G C 0.966 175.784 174.900 -0.136 0.000 1.136 254 G CA 0.140 45.147 45.100 -0.155 0.000 0.789 254 G HN 0.280 nan 8.290 nan 0.000 0.536 255 L N 0.027 121.177 121.223 -0.122 0.000 2.667 255 L HA 0.313 4.653 4.340 -0.000 0.000 0.232 255 L C 0.977 177.902 176.870 0.093 0.000 1.138 255 L CA -0.345 54.485 54.840 -0.017 0.000 0.921 255 L CB 0.248 42.272 42.059 -0.058 0.000 1.180 255 L HN -0.029 nan 8.230 nan 0.000 0.487 256 R N 1.137 121.618 120.500 -0.032 0.000 2.316 256 R HA 0.426 4.765 4.340 -0.000 0.000 0.314 256 R C 0.288 176.284 176.300 -0.507 0.000 1.069 256 R CA 0.101 55.967 56.100 -0.390 0.000 0.959 256 R CB 0.912 31.008 30.300 -0.341 0.000 0.987 256 R HN 0.190 nan 8.270 nan 0.000 0.446 257 G N -0.338 107.965 108.800 -0.829 0.000 2.975 257 G HA2 0.218 4.178 3.960 -0.000 0.000 0.291 257 G HA3 0.218 4.178 3.960 -0.000 0.000 0.291 257 G C 0.081 174.598 174.900 -0.639 0.000 1.334 257 G CA -0.445 44.358 45.100 -0.496 0.000 0.843 257 G HN 0.484 nan 8.290 nan 0.000 0.548 258 S N -1.542 114.019 115.700 -0.231 0.000 2.520 258 S HA 0.212 4.682 4.470 -0.000 0.000 0.219 258 S C 0.934 175.604 174.600 0.116 0.000 1.028 258 S CA 0.551 58.707 58.200 -0.073 0.000 0.921 258 S CB 0.052 63.213 63.200 -0.066 0.000 0.844 258 S HN 0.643 nan 8.310 nan 0.000 0.495 259 T N 1.309 115.935 114.554 0.120 0.000 2.754 259 T HA 0.271 4.620 4.350 -0.000 0.000 0.286 259 T C 0.516 175.373 174.700 0.262 0.000 0.997 259 T CA -0.332 61.865 62.100 0.161 0.000 0.982 259 T CB 0.351 69.283 68.868 0.107 0.000 1.027 259 T HN 0.226 nan 8.240 nan 0.000 0.529 260 Y N 0.488 120.847 120.300 0.098 0.000 2.263 260 Y HA -0.079 4.471 4.550 -0.000 0.000 0.292 260 Y C 2.184 178.176 175.900 0.153 0.000 1.130 260 Y CA 1.713 59.871 58.100 0.097 0.000 1.179 260 Y CB -0.320 38.151 38.460 0.019 0.000 0.998 260 Y HN 0.778 nan 8.280 nan 0.000 0.532 261 D N -0.089 120.412 120.400 0.169 0.000 2.097 261 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 261 D C 2.261 178.595 176.300 0.056 0.000 0.984 261 D CA 1.534 55.577 54.000 0.072 0.000 0.826 261 D CB -0.341 40.515 40.800 0.093 0.000 0.973 261 D HN 0.384 nan 8.370 nan 0.000 0.460 262 A N -0.366 122.532 122.820 0.129 0.000 1.940 262 A HA -0.156 4.163 4.320 -0.000 0.000 0.219 262 A C 2.155 179.918 177.584 0.298 0.000 1.176 262 A CA 1.606 53.746 52.037 0.172 0.000 0.631 262 A CB -1.436 17.651 19.000 0.145 0.000 0.814 262 A HN 0.598 nan 8.150 nan 0.000 0.446 263 W N 0.973 122.344 121.300 0.119 0.000 2.378 263 W HA -0.202 4.457 4.660 -0.001 0.000 0.313 263 W C 2.308 178.726 176.519 -0.169 0.000 1.197 263 W CA 2.905 60.153 57.345 -0.161 0.000 1.304 263 W CB -0.386 28.762 29.460 -0.520 0.000 1.148 263 W HN 0.282 nan 8.180 nan 0.000 0.494 264 V N -0.560 119.255 119.914 -0.165 0.000 2.568 264 V HA -0.269 3.851 4.120 -0.000 0.000 0.253 264 V C 1.908 177.836 176.094 -0.278 0.000 1.072 264 V CA 2.304 64.414 62.300 -0.316 0.000 1.084 264 V CB -0.934 30.711 31.823 -0.296 0.000 0.676 264 V HN 0.239 nan 8.190 nan 0.000 0.469 265 K N -0.356 119.956 120.400 -0.148 0.000 2.098 265 K HA 0.095 4.415 4.320 -0.000 0.000 0.203 265 K C 1.989 178.542 176.600 -0.078 0.000 1.051 265 K CA 1.356 57.596 56.287 -0.077 0.000 0.957 265 K CB -0.316 32.175 32.500 -0.014 0.000 0.738 265 K HN 0.531 nan 8.250 nan 0.000 0.447 266 F N 2.713 122.511 119.950 -0.254 0.000 2.126 266 F HA -0.239 4.288 4.527 -0.001 0.000 0.299 266 F C 1.852 177.421 175.800 -0.386 0.000 1.096 266 F CA 1.729 59.571 58.000 -0.263 0.000 1.255 266 F CB -0.229 38.677 39.000 -0.157 0.000 0.997 266 F HN -0.006 nan 8.300 nan 0.000 0.479 267 N N 0.063 118.401 118.700 -0.603 0.000 2.457 267 N HA -0.128 4.611 4.740 -0.000 0.000 0.180 267 N C 1.940 177.228 175.510 -0.369 0.000 1.050 267 N CA 0.699 53.328 53.050 -0.701 0.000 0.906 267 N CB -0.242 37.463 38.487 -1.304 0.000 0.968 267 N HN 0.338 nan 8.380 nan 0.000 0.445 268 R N -1.204 119.140 120.500 -0.260 0.000 2.100 268 R HA 0.002 4.342 4.340 -0.000 0.000 0.220 268 R C 1.785 178.053 176.300 -0.054 0.000 1.091 268 R CA 0.689 56.711 56.100 -0.131 0.000 0.986 268 R CB -0.306 29.935 30.300 -0.099 0.000 0.888 268 R HN 0.284 nan 8.270 nan 0.000 0.444 269 F N 1.468 121.298 119.950 -0.200 0.000 2.113 269 F HA -0.135 4.392 4.527 0.001 0.000 0.297 269 F C 2.536 178.271 175.800 -0.109 0.000 1.103 269 F CA 1.736 59.648 58.000 -0.148 0.000 1.248 269 F CB -0.151 38.725 39.000 -0.207 0.000 0.999 269 F HN -0.100 nan 8.300 nan 0.000 0.475 270 R N 0.530 121.061 120.500 0.052 0.000 2.096 270 R HA -0.236 4.104 4.340 -0.000 0.000 0.240 270 R C 2.567 178.896 176.300 0.047 0.000 1.139 270 R CA 2.025 58.166 56.100 0.069 0.000 0.952 270 R CB -0.529 29.675 30.300 -0.160 0.000 0.854 270 R HN 0.312 nan 8.270 nan 0.000 0.436 271 R N 0.451 120.939 120.500 -0.021 0.000 2.075 271 R HA -0.142 4.198 4.340 -0.000 0.000 0.230 271 R C 2.128 178.396 176.300 -0.053 0.000 1.140 271 R CA 2.094 58.186 56.100 -0.014 0.000 0.928 271 R CB -0.276 30.011 30.300 -0.020 0.000 0.834 271 R HN 0.382 nan 8.270 nan 0.000 0.429 272 E N -0.054 120.094 120.200 -0.088 0.000 2.070 272 E HA -0.242 4.108 4.350 -0.000 0.000 0.197 272 E C 2.004 178.520 176.600 -0.141 0.000 1.004 272 E CA 1.562 57.898 56.400 -0.106 0.000 0.805 272 E CB -0.109 29.521 29.700 -0.116 0.000 0.744 272 E HN 0.359 nan 8.360 nan 0.000 0.451 273 M N 0.269 119.729 119.600 -0.233 0.000 2.296 273 M HA -0.072 4.408 4.480 -0.000 0.000 0.265 273 M C 2.175 178.365 176.300 -0.182 0.000 1.064 273 M CA 1.240 56.400 55.300 -0.233 0.000 1.109 273 M CB -1.081 31.326 32.600 -0.322 0.000 1.396 273 M HN 0.036 nan 8.290 nan 0.000 0.430 274 T N 1.240 115.703 114.554 -0.152 0.000 2.770 274 T HA 0.002 4.351 4.350 -0.000 0.000 0.263 274 T C 2.050 176.695 174.700 -0.092 0.000 1.039 274 T CA 0.976 62.978 62.100 -0.163 0.000 1.142 274 T CB -0.234 68.584 68.868 -0.084 0.000 0.868 274 T HN 0.307 nan 8.240 nan 0.000 0.435 275 L N 0.721 121.921 121.223 -0.038 0.000 2.131 275 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 275 L C 2.667 179.536 176.870 -0.002 0.000 1.092 275 L CA 1.126 55.974 54.840 0.013 0.000 0.759 275 L CB -0.764 41.314 42.059 0.032 0.000 0.903 275 L HN 0.291 nan 8.230 nan 0.000 0.435 276 T N -1.917 112.616 114.554 -0.034 0.000 3.044 276 T HA 0.061 4.410 4.350 -0.000 0.000 0.255 276 T C 1.635 176.284 174.700 -0.085 0.000 1.073 276 T CA 0.596 62.673 62.100 -0.038 0.000 1.125 276 T CB 0.582 69.436 68.868 -0.023 0.000 0.908 276 T HN 0.033 nan 8.240 nan 0.000 0.480 277 V N 0.269 120.121 119.914 -0.103 0.000 3.264 277 V HA 0.237 4.357 4.120 -0.000 0.000 0.217 277 V C 2.159 178.165 176.094 -0.148 0.000 1.236 277 V CA 0.075 62.314 62.300 -0.101 0.000 1.287 277 V CB -0.567 31.221 31.823 -0.060 0.000 1.241 277 V HN 0.233 nan 8.190 nan 0.000 0.518 278 L N 0.637 121.737 121.223 -0.206 0.000 2.043 278 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 278 L C 2.129 178.879 176.870 -0.199 0.000 1.075 278 L CA 1.859 56.557 54.840 -0.238 0.000 0.752 278 L CB -0.741 41.106 42.059 -0.353 0.000 0.891 278 L HN 0.382 nan 8.230 nan 0.000 0.432 279 D N -0.316 119.987 120.400 -0.161 0.000 2.310 279 D HA -0.115 4.524 4.640 -0.000 0.000 0.212 279 D C 1.970 178.185 176.300 -0.143 0.000 0.965 279 D CA 0.814 54.728 54.000 -0.142 0.000 0.879 279 D CB 0.159 40.898 40.800 -0.102 0.000 0.921 279 D HN 0.186 nan 8.370 nan 0.000 0.510 280 L N -0.323 120.810 121.223 -0.152 0.000 2.145 280 L HA 0.079 4.419 4.340 -0.000 0.000 0.201 280 L C 1.783 178.413 176.870 -0.400 0.000 1.075 280 L CA 0.709 55.462 54.840 -0.145 0.000 0.773 280 L CB -0.202 41.826 42.059 -0.051 0.000 0.936 280 L HN -0.170 nan 8.230 nan 0.000 0.451 281 I N -0.467 119.759 120.570 -0.573 0.000 2.399 281 I HA -0.258 3.911 4.170 -0.000 0.000 0.254 281 I C 2.232 177.932 176.117 -0.694 0.000 1.146 281 I CA 1.235 61.947 61.300 -0.979 0.000 1.412 281 I CB -0.473 37.239 38.000 -0.480 0.000 1.076 281 I HN 0.092 nan 8.210 nan 0.000 0.432 282 V N -0.135 119.555 119.914 -0.372 0.000 2.626 282 V HA -0.216 3.904 4.120 -0.000 0.000 0.252 282 V C 2.234 178.171 176.094 -0.262 0.000 1.067 282 V CA 1.313 63.473 62.300 -0.233 0.000 1.081 282 V CB -0.629 31.108 31.823 -0.143 0.000 0.686 282 V HN 0.366 nan 8.190 nan 0.000 0.468 283 L N -1.561 119.514 121.223 -0.245 0.000 2.240 283 L HA -0.014 4.326 4.340 -0.000 0.000 0.211 283 L C 2.499 179.091 176.870 -0.463 0.000 1.106 283 L CA 0.742 55.485 54.840 -0.162 0.000 0.793 283 L CB -0.621 41.417 42.059 -0.036 0.000 0.927 283 L HN 0.207 nan 8.230 nan 0.000 0.446 284 F N 0.969 120.564 119.950 -0.592 0.000 2.085 284 F HA -0.185 4.342 4.527 -0.001 0.000 0.299 284 F C 0.012 175.382 175.800 -0.717 0.000 1.096 284 F CA 1.284 58.865 58.000 -0.698 0.000 1.227 284 F CB -2.583 36.225 39.000 -0.320 0.000 0.983 284 F HN 0.148 nan 8.300 nan 0.000 0.482 285 P HA -0.169 nan 4.420 nan 0.000 0.221 285 P C 1.213 178.166 177.300 -0.577 0.000 1.145 285 P CA 1.247 64.043 63.100 -0.507 0.000 0.795 285 P CB -0.360 31.009 31.700 -0.551 0.000 0.775 286 F N -3.722 116.002 119.950 -0.376 0.000 2.804 286 F HA 0.070 4.597 4.527 0.000 0.000 0.303 286 F C 1.360 177.136 175.800 -0.039 0.000 1.154 286 F CA 0.199 57.979 58.000 -0.367 0.000 1.401 286 F CB -1.110 37.634 39.000 -0.426 0.000 1.106 286 F HN -0.026 nan 8.300 nan 0.000 0.568 287 Y N -0.652 119.701 120.300 0.088 0.000 2.523 287 Y HA 0.047 4.597 4.550 -0.000 0.000 0.279 287 Y C 1.125 177.096 175.900 0.119 0.000 1.139 287 Y CA -0.561 57.590 58.100 0.084 0.000 1.296 287 Y CB -0.552 37.917 38.460 0.015 0.000 1.045 287 Y HN -0.075 nan 8.280 nan 0.000 0.538 288 D N 1.657 122.221 120.400 0.273 0.000 2.498 288 D HA 0.008 4.648 4.640 -0.000 0.000 0.229 288 D C 1.108 177.627 176.300 0.366 0.000 1.188 288 D CA -0.063 54.106 54.000 0.281 0.000 1.028 288 D CB -0.270 40.670 40.800 0.233 0.000 1.087 288 D HN 0.356 nan 8.370 nan 0.000 0.510 289 I N 0.127 120.896 120.570 0.332 0.000 3.241 289 I HA -0.036 4.134 4.170 -0.000 0.000 0.280 289 I C 1.606 177.910 176.117 0.312 0.000 1.320 289 I CA 0.596 62.104 61.300 0.346 0.000 1.413 289 I CB -0.160 38.060 38.000 0.366 0.000 1.060 289 I HN 0.070 nan 8.210 nan 0.000 0.500 290 R N -0.227 120.435 120.500 0.270 0.000 2.146 290 R HA 0.246 4.585 4.340 -0.000 0.000 0.206 290 R C 1.946 178.328 176.300 0.137 0.000 1.049 290 R CA 0.562 56.764 56.100 0.170 0.000 1.029 290 R CB -0.312 30.040 30.300 0.086 0.000 0.949 290 R HN 0.325 nan 8.270 nan 0.000 0.471 291 L N -0.320 121.004 121.223 0.169 0.000 2.240 291 L HA 0.009 4.348 4.340 -0.000 0.000 0.211 291 L C -0.070 176.684 176.870 -0.193 0.000 1.106 291 L CA 1.495 56.327 54.840 -0.014 0.000 0.793 291 L CB 0.327 42.390 42.059 0.007 0.000 0.927 291 L HN 0.059 nan 8.230 nan 0.000 0.446 292 Y N -1.374 119.021 120.300 0.159 0.000 2.584 292 Y HA 0.222 4.771 4.550 -0.001 0.000 0.358 292 Y C 1.374 177.343 175.900 0.114 0.000 1.028 292 Y CA 0.003 58.190 58.100 0.145 0.000 1.148 292 Y CB 0.367 38.958 38.460 0.218 0.000 1.126 292 Y HN 0.058 nan 8.280 nan 0.000 0.658 293 S N -0.605 115.197 115.700 0.170 0.000 2.522 293 S HA -0.032 4.438 4.470 -0.000 0.000 0.227 293 S C 1.296 175.827 174.600 -0.116 0.000 0.986 293 S CA 0.477 58.729 58.200 0.087 0.000 0.929 293 S CB 0.065 63.327 63.200 0.104 0.000 0.769 293 S HN 0.539 nan 8.310 nan 0.000 0.529 294 K N 0.911 121.287 120.400 -0.040 0.000 2.404 294 K HA 0.397 4.717 4.320 -0.000 0.000 0.194 294 K C 0.727 177.280 176.600 -0.078 0.000 1.023 294 K CA 0.330 56.563 56.287 -0.089 0.000 1.094 294 K CB 0.414 32.899 32.500 -0.024 0.000 0.841 294 K HN 0.529 nan 8.250 nan 0.000 0.523 295 G N 0.395 109.173 108.800 -0.036 0.000 2.587 295 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.686 295 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.686 295 G C -1.209 173.663 174.900 -0.047 0.000 1.236 295 G CA -1.122 43.947 45.100 -0.052 0.000 0.820 295 G HN -0.057 nan 8.290 nan 0.000 0.645 296 V N 1.069 120.892 119.914 -0.151 0.000 2.638 296 V HA 0.696 4.816 4.120 -0.000 0.000 0.306 296 V C 0.242 176.159 176.094 -0.295 0.000 1.052 296 V CA -0.787 61.347 62.300 -0.277 0.000 0.885 296 V CB 1.976 33.370 31.823 -0.716 0.000 0.999 296 V HN 0.954 nan 8.190 nan 0.000 0.424 297 K N 2.763 123.039 120.400 -0.206 0.000 2.347 297 K HA 0.647 4.967 4.320 -0.000 0.000 0.262 297 K C -0.540 175.950 176.600 -0.183 0.000 1.052 297 K CA -0.021 56.169 56.287 -0.161 0.000 0.946 297 K CB 1.327 33.778 32.500 -0.081 0.000 1.220 297 K HN 0.854 nan 8.250 nan 0.000 0.450 298 T N 2.107 116.523 114.554 -0.230 0.000 2.742 298 T HA 0.466 4.816 4.350 -0.000 0.000 0.282 298 T C -1.866 172.763 174.700 -0.118 0.000 1.025 298 T CA -0.587 61.401 62.100 -0.187 0.000 1.020 298 T CB 1.237 69.938 68.868 -0.279 0.000 1.317 298 T HN 0.768 nan 8.240 nan 0.000 0.538 299 E N 0.795 120.943 120.200 -0.087 0.000 2.390 299 E HA 0.482 4.832 4.350 -0.000 0.000 0.280 299 E C -1.670 174.883 176.600 -0.078 0.000 0.992 299 E CA -0.968 55.393 56.400 -0.066 0.000 0.790 299 E CB 1.173 30.837 29.700 -0.060 0.000 1.248 299 E HN 0.420 nan 8.360 nan 0.000 0.447 300 L N 2.008 123.171 121.223 -0.100 0.000 2.257 300 L HA 0.318 4.658 4.340 -0.000 0.000 0.290 300 L C 1.049 177.910 176.870 -0.016 0.000 1.044 300 L CA -0.245 54.526 54.840 -0.115 0.000 0.810 300 L CB 1.287 43.173 42.059 -0.289 0.000 1.193 300 L HN 0.901 nan 8.230 nan 0.000 0.425 301 T N -1.527 113.034 114.554 0.012 0.000 3.069 301 T HA 0.072 4.422 4.350 -0.000 0.000 0.252 301 T C 0.862 175.704 174.700 0.235 0.000 1.053 301 T CA -0.570 61.602 62.100 0.120 0.000 0.964 301 T CB -0.012 68.895 68.868 0.065 0.000 1.005 301 T HN 0.461 nan 8.240 nan 0.000 0.532 302 R N 1.854 122.434 120.500 0.133 0.000 2.679 302 R HA 0.241 4.581 4.340 -0.000 0.000 0.269 302 R C -1.189 175.210 176.300 0.165 0.000 1.076 302 R CA -0.167 56.004 56.100 0.119 0.000 1.160 302 R CB -0.110 30.227 30.300 0.062 0.000 1.054 302 R HN 0.065 nan 8.270 nan 0.000 0.507 303 D N 1.283 121.758 120.400 0.125 0.000 2.313 303 D HA 0.332 4.972 4.640 -0.000 0.000 0.247 303 D C -0.047 176.328 176.300 0.124 0.000 1.094 303 D CA -0.055 53.997 54.000 0.087 0.000 0.925 303 D CB 0.902 41.731 40.800 0.049 0.000 1.188 303 D HN 0.287 nan 8.370 nan 0.000 0.430 304 I N 1.793 122.403 120.570 0.067 0.000 2.499 304 I HA 0.250 4.420 4.170 -0.000 0.000 0.288 304 I C -0.869 175.268 176.117 0.032 0.000 1.048 304 I CA -0.614 60.765 61.300 0.131 0.000 1.062 304 I CB 1.235 39.324 38.000 0.147 0.000 1.238 304 I HN 0.171 nan 8.210 nan 0.000 0.426 305 F N 4.455 124.544 119.950 0.232 0.000 2.361 305 F HA 0.325 4.852 4.527 0.000 0.000 0.364 305 F C 1.172 177.079 175.800 0.179 0.000 1.120 305 F CA -0.530 57.638 58.000 0.280 0.000 1.102 305 F CB 1.322 40.487 39.000 0.274 0.000 1.183 305 F HN 0.403 nan 8.300 nan 0.000 0.476 306 T N -0.376 114.401 114.554 0.372 0.000 2.813 306 T HA 0.173 4.523 4.350 -0.000 0.000 0.297 306 T C 0.001 174.792 174.700 0.152 0.000 1.036 306 T CA -1.143 61.076 62.100 0.198 0.000 1.044 306 T CB 0.761 69.772 68.868 0.239 0.000 0.993 306 T HN 0.292 nan 8.240 nan 0.000 0.535 307 D N 1.869 122.287 120.400 0.031 0.000 2.361 307 D HA 0.231 4.871 4.640 -0.000 0.000 0.239 307 D C -2.263 173.966 176.300 -0.119 0.000 1.200 307 D CA -1.375 52.584 54.000 -0.068 0.000 0.915 307 D CB -0.202 40.556 40.800 -0.071 0.000 1.170 307 D HN 0.333 nan 8.370 nan 0.000 0.444 308 P HA 0.021 nan 4.420 nan 0.000 0.264 308 P C 1.158 178.376 177.300 -0.137 0.000 1.183 308 P CA 0.062 62.941 63.100 -0.369 0.000 0.763 308 P CB 0.500 31.977 31.700 -0.370 0.000 0.807 309 I N 2.136 122.654 120.570 -0.087 0.000 2.290 309 I HA -0.234 3.936 4.170 -0.000 0.000 0.253 309 I C 0.931 177.183 176.117 0.225 0.000 1.112 309 I CA 1.862 63.204 61.300 0.070 0.000 1.377 309 I CB -0.406 37.669 38.000 0.124 0.000 1.060 309 I HN 0.385 nan 8.210 nan 0.000 0.428 310 F N -1.225 118.766 119.950 0.069 0.000 2.613 310 F HA 0.520 5.047 4.527 0.000 0.000 0.310 310 F C -0.227 175.622 175.800 0.082 0.000 1.085 310 F CA -1.451 56.593 58.000 0.073 0.000 0.945 310 F CB 0.756 39.802 39.000 0.077 0.000 1.298 310 F HN -0.262 nan 8.300 nan 0.000 0.455 311 S N 2.863 118.737 115.700 0.289 0.000 2.465 311 S HA 0.471 4.941 4.470 -0.000 0.000 0.279 311 S C -0.240 174.503 174.600 0.240 0.000 1.201 311 S CA -0.800 57.514 58.200 0.191 0.000 1.053 311 S CB 0.538 63.825 63.200 0.145 0.000 0.953 311 S HN 0.723 nan 8.310 nan 0.000 0.488 312 L N 4.004 125.319 121.223 0.152 0.000 2.400 312 L HA 0.059 4.399 4.340 -0.000 0.000 0.262 312 L C 1.283 178.221 176.870 0.113 0.000 1.309 312 L CA -0.733 54.184 54.840 0.128 0.000 1.186 312 L CB -1.444 40.597 42.059 -0.029 0.000 1.375 312 L HN 0.724 nan 8.230 nan 0.000 0.433 313 N N 0.994 119.767 118.700 0.121 0.000 2.003 313 N HA -0.225 4.515 4.740 -0.000 0.000 0.198 313 N C 1.299 176.848 175.510 0.065 0.000 1.073 313 N CA 2.252 55.352 53.050 0.085 0.000 0.875 313 N CB -0.826 37.706 38.487 0.075 0.000 1.074 313 N HN 0.327 nan 8.380 nan 0.000 0.435 314 T N 0.221 114.811 114.554 0.060 0.000 3.055 314 T HA 0.185 4.535 4.350 -0.000 0.000 0.265 314 T C 1.516 176.263 174.700 0.078 0.000 1.111 314 T CA 0.430 62.562 62.100 0.053 0.000 1.118 314 T CB -0.205 68.688 68.868 0.042 0.000 0.909 314 T HN 0.160 nan 8.240 nan 0.000 0.501 315 L N 0.775 122.054 121.223 0.092 0.000 2.591 315 L HA 0.129 4.469 4.340 -0.000 0.000 0.228 315 L C 2.562 179.457 176.870 0.041 0.000 1.133 315 L CA 0.238 55.167 54.840 0.147 0.000 0.880 315 L CB -0.505 41.623 42.059 0.116 0.000 1.033 315 L HN 0.195 nan 8.230 nan 0.000 0.450 316 Q N 1.579 121.385 119.800 0.009 0.000 2.156 316 Q HA -0.280 4.060 4.340 -0.000 0.000 0.211 316 Q C 1.791 177.742 176.000 -0.082 0.000 0.995 316 Q CA 2.256 58.061 55.803 0.002 0.000 0.877 316 Q CB 0.010 28.779 28.738 0.052 0.000 0.920 316 Q HN 0.462 nan 8.270 nan 0.000 0.416 317 E N -1.451 118.624 120.200 -0.208 0.000 2.204 317 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 317 E C 1.106 177.389 176.600 -0.528 0.000 0.990 317 E CA 1.200 57.365 56.400 -0.391 0.000 0.821 317 E CB -0.204 29.148 29.700 -0.580 0.000 0.750 317 E HN 0.569 nan 8.360 nan 0.000 0.477 318 Y N 0.294 120.534 120.300 -0.099 0.000 2.471 318 Y HA 0.231 4.781 4.550 0.000 0.000 0.286 318 Y C 1.363 177.146 175.900 -0.195 0.000 1.188 318 Y CA -0.242 57.784 58.100 -0.123 0.000 1.286 318 Y CB 0.109 38.495 38.460 -0.124 0.000 1.072 318 Y HN -0.058 nan 8.280 nan 0.000 0.517 319 G N 1.629 110.278 108.800 -0.253 0.000 2.539 319 G HA2 0.264 4.224 3.960 -0.000 0.000 0.258 319 G HA3 0.264 4.224 3.960 -0.000 0.000 0.258 319 G C -2.494 172.312 174.900 -0.157 0.000 1.202 319 G CA -1.320 43.457 45.100 -0.538 0.000 0.851 319 G HN -0.108 nan 8.290 nan 0.000 0.556 320 P HA 0.071 nan 4.420 nan 0.000 0.266 320 P C 0.829 178.180 177.300 0.084 0.000 1.195 320 P CA 0.048 63.164 63.100 0.028 0.000 0.768 320 P CB 0.337 32.047 31.700 0.017 0.000 0.838 321 T N -0.047 114.536 114.554 0.049 0.000 2.795 321 T HA 0.019 4.369 4.350 -0.000 0.000 0.314 321 T C 1.064 175.792 174.700 0.046 0.000 1.069 321 T CA -0.248 61.898 62.100 0.077 0.000 1.071 321 T CB 0.061 68.966 68.868 0.062 0.000 0.988 321 T HN 0.265 nan 8.240 nan 0.000 0.543 322 F N 1.163 121.088 119.950 -0.042 0.000 2.027 322 F HA -0.122 4.406 4.527 0.001 0.000 0.297 322 F C 2.234 177.956 175.800 -0.130 0.000 1.129 322 F CA 1.772 59.735 58.000 -0.061 0.000 1.195 322 F CB -0.437 38.545 39.000 -0.031 0.000 0.960 322 F HN 0.521 nan 8.300 nan 0.000 0.485 323 L N -0.013 121.358 121.223 0.247 0.000 2.013 323 L HA -0.322 4.018 4.340 -0.000 0.000 0.212 323 L C 2.625 179.491 176.870 -0.007 0.000 1.073 323 L CA 1.868 56.779 54.840 0.119 0.000 0.753 323 L CB -1.033 41.081 42.059 0.091 0.000 0.890 323 L HN 0.318 nan 8.230 nan 0.000 0.432 324 S N -0.553 115.132 115.700 -0.025 0.000 2.442 324 S HA -0.105 4.364 4.470 -0.000 0.000 0.236 324 S C 1.792 176.345 174.600 -0.078 0.000 1.007 324 S CA 0.994 59.175 58.200 -0.032 0.000 0.965 324 S CB -0.543 62.652 63.200 -0.007 0.000 0.773 324 S HN 0.393 nan 8.310 nan 0.000 0.504 325 I N 1.240 121.637 120.570 -0.288 0.000 2.339 325 I HA 0.011 4.181 4.170 -0.000 0.000 0.245 325 I C 2.604 178.445 176.117 -0.460 0.000 1.096 325 I CA 0.868 61.799 61.300 -0.615 0.000 1.408 325 I CB -0.230 36.954 38.000 -1.360 0.000 1.092 325 I HN 0.166 nan 8.210 nan 0.000 0.423 326 E N 0.909 120.878 120.200 -0.385 0.000 2.418 326 E HA -0.068 4.282 4.350 -0.000 0.000 0.197 326 E C 1.066 177.646 176.600 -0.033 0.000 1.026 326 E CA 0.660 56.975 56.400 -0.142 0.000 0.862 326 E CB -0.218 29.430 29.700 -0.087 0.000 0.799 326 E HN 0.581 nan 8.360 nan 0.000 0.518 327 N N -0.593 118.089 118.700 -0.030 0.000 2.205 327 N HA 0.024 4.764 4.740 -0.000 0.000 0.201 327 N C 1.296 176.816 175.510 0.017 0.000 1.128 327 N CA 0.027 53.084 53.050 0.012 0.000 0.867 327 N CB 0.557 39.054 38.487 0.017 0.000 0.996 327 N HN -0.100 nan 8.380 nan 0.000 0.503 328 S N 0.244 115.952 115.700 0.014 0.000 2.514 328 S HA 0.231 4.701 4.470 -0.000 0.000 0.223 328 S C 0.706 175.318 174.600 0.020 0.000 1.046 328 S CA -0.338 57.868 58.200 0.010 0.000 0.914 328 S CB 0.386 63.580 63.200 -0.010 0.000 0.807 328 S HN 0.017 nan 8.310 nan 0.000 0.497 329 I N 3.123 123.727 120.570 0.056 0.000 2.813 329 I HA 0.102 4.272 4.170 -0.000 0.000 0.287 329 I C 1.036 177.212 176.117 0.100 0.000 1.196 329 I CA 0.212 61.566 61.300 0.090 0.000 1.421 329 I CB -0.050 37.968 38.000 0.030 0.000 1.365 329 I HN 0.277 nan 8.210 nan 0.000 0.591 330 R N 5.491 126.062 120.500 0.117 0.000 2.484 330 R HA 0.021 4.361 4.340 -0.000 0.000 0.293 330 R C 0.245 176.638 176.300 0.155 0.000 1.023 330 R CA -0.222 55.926 56.100 0.081 0.000 1.037 330 R CB 0.473 30.688 30.300 -0.142 0.000 0.951 330 R HN 0.658 nan 8.270 nan 0.000 0.418 331 K N 5.421 125.911 120.400 0.149 0.000 2.118 331 K HA 0.348 4.667 4.320 -0.000 0.000 0.240 331 K C -2.205 174.512 176.600 0.195 0.000 1.035 331 K CA -1.542 54.838 56.287 0.154 0.000 0.899 331 K CB 0.081 32.650 32.500 0.116 0.000 1.085 331 K HN 0.347 nan 8.250 nan 0.000 0.498 332 P HA -0.091 nan 4.420 nan 0.000 0.261 332 P C -0.926 176.397 177.300 0.038 0.000 1.173 332 P CA 0.809 63.905 63.100 -0.006 0.000 0.760 332 P CB 0.128 31.839 31.700 0.019 0.000 0.783 333 H N 1.097 120.194 119.070 0.045 0.000 2.966 333 H HA 0.442 4.998 4.556 -0.000 0.000 0.330 333 H C -0.565 174.796 175.328 0.054 0.000 1.292 333 H CA -1.229 54.841 56.048 0.036 0.000 1.127 333 H CB 0.498 30.257 29.762 -0.004 0.000 1.863 333 H HN 0.152 nan 8.280 nan 0.000 0.543 334 L N 1.008 122.365 121.223 0.224 0.000 2.439 334 L HA 0.097 4.437 4.340 -0.000 0.000 0.269 334 L C 0.335 177.383 176.870 0.296 0.000 1.179 334 L CA -0.527 54.431 54.840 0.198 0.000 0.828 334 L CB 0.147 42.299 42.059 0.155 0.000 1.106 334 L HN 0.397 nan 8.230 nan 0.000 0.467 335 F N 2.723 122.744 119.950 0.118 0.000 2.578 335 F HA 0.019 4.545 4.527 -0.001 0.000 0.376 335 F C 0.340 176.149 175.800 0.015 0.000 1.085 335 F CA -0.043 57.992 58.000 0.058 0.000 1.260 335 F CB 0.280 39.273 39.000 -0.011 0.000 1.095 335 F HN 0.559 nan 8.300 nan 0.000 0.573 336 D N 3.235 123.392 120.400 -0.406 0.000 2.592 336 D HA 0.426 5.066 4.640 -0.000 0.000 0.263 336 D C -1.765 174.203 176.300 -0.553 0.000 1.132 336 D CA -0.651 53.226 54.000 -0.205 0.000 0.996 336 D CB 0.811 41.604 40.800 -0.012 0.000 1.442 336 D HN 0.277 nan 8.370 nan 0.000 0.486 337 Y N -0.964 119.362 120.300 0.043 0.000 2.562 337 Y HA 0.479 5.029 4.550 0.000 0.000 0.343 337 Y C -0.295 175.607 175.900 0.004 0.000 1.025 337 Y CA -1.481 56.640 58.100 0.034 0.000 1.082 337 Y CB 1.275 39.802 38.460 0.111 0.000 1.264 337 Y HN 0.355 nan 8.280 nan 0.000 0.478 338 L N 1.995 123.285 121.223 0.111 0.000 2.410 338 L HA 0.173 4.512 4.340 -0.000 0.000 0.273 338 L C 0.690 177.624 176.870 0.106 0.000 1.152 338 L CA 0.558 55.429 54.840 0.051 0.000 0.855 338 L CB 0.659 42.666 42.059 -0.086 0.000 1.129 338 L HN 0.701 nan 8.230 nan 0.000 0.463 339 Q N 3.066 122.929 119.800 0.105 0.000 2.499 339 Q HA 0.447 4.786 4.340 -0.000 0.000 0.213 339 Q C 0.285 176.342 176.000 0.095 0.000 0.929 339 Q CA 0.832 56.685 55.803 0.083 0.000 0.904 339 Q CB 0.946 29.708 28.738 0.039 0.000 1.052 339 Q HN 0.843 nan 8.270 nan 0.000 0.589 340 G N -0.158 108.691 108.800 0.082 0.000 2.576 340 G HA2 0.582 4.542 3.960 -0.000 0.000 0.290 340 G HA3 0.582 4.542 3.960 -0.000 0.000 0.290 340 G C -1.578 173.310 174.900 -0.020 0.000 1.442 340 G CA -0.653 44.443 45.100 -0.006 0.000 0.792 340 G HN 0.013 nan 8.290 nan 0.000 0.491 341 I N 0.223 120.723 120.570 -0.116 0.000 2.498 341 I HA 0.402 4.572 4.170 -0.000 0.000 0.290 341 I C -0.560 175.326 176.117 -0.385 0.000 1.032 341 I CA -0.661 60.453 61.300 -0.311 0.000 1.073 341 I CB 2.562 40.221 38.000 -0.568 0.000 1.251 341 I HN 0.574 nan 8.210 nan 0.000 0.426 342 E N 6.424 126.464 120.200 -0.267 0.000 2.063 342 E HA 0.370 4.720 4.350 -0.000 0.000 0.265 342 E C -1.379 175.227 176.600 0.010 0.000 0.919 342 E CA -0.632 55.756 56.400 -0.020 0.000 0.756 342 E CB 0.720 30.542 29.700 0.203 0.000 1.120 342 E HN 0.334 nan 8.360 nan 0.000 0.414 343 F N 3.203 123.245 119.950 0.154 0.000 2.456 343 F HA 0.186 4.713 4.527 -0.000 0.000 0.358 343 F C 0.852 176.882 175.800 0.383 0.000 1.095 343 F CA -0.040 58.037 58.000 0.129 0.000 1.216 343 F CB 0.656 39.562 39.000 -0.156 0.000 1.125 343 F HN 0.389 nan 8.300 nan 0.000 0.549 344 H N 1.860 121.183 119.070 0.422 0.000 2.481 344 H HA 0.353 4.909 4.556 -0.000 0.000 0.333 344 H C -0.581 174.936 175.328 0.315 0.000 1.066 344 H CA -0.728 55.527 56.048 0.345 0.000 1.209 344 H CB 1.687 31.680 29.762 0.384 0.000 1.445 344 H HN 0.526 nan 8.280 nan 0.000 0.488 345 T N 4.350 119.062 114.554 0.263 0.000 2.855 345 T HA 0.518 4.868 4.350 -0.000 0.000 0.281 345 T C 0.165 174.847 174.700 -0.030 0.000 1.007 345 T CA -0.822 61.373 62.100 0.158 0.000 1.009 345 T CB 1.846 70.841 68.868 0.212 0.000 0.983 345 T HN 0.516 nan 8.240 nan 0.000 0.455 346 R N 0.610 120.959 120.500 -0.253 0.000 2.799 346 R HA 0.597 4.937 4.340 -0.000 0.000 0.270 346 R C -1.442 174.737 176.300 -0.202 0.000 1.010 346 R CA -1.029 54.929 56.100 -0.237 0.000 0.916 346 R CB 1.798 31.954 30.300 -0.241 0.000 1.228 346 R HN 0.427 nan 8.270 nan 0.000 0.469 347 L N 1.372 122.577 121.223 -0.031 0.000 2.350 347 L HA 0.321 4.661 4.340 -0.000 0.000 0.275 347 L C -0.757 176.149 176.870 0.059 0.000 1.099 347 L CA 0.041 54.891 54.840 0.016 0.000 0.808 347 L CB 1.180 43.237 42.059 -0.002 0.000 1.149 347 L HN 0.479 nan 8.230 nan 0.000 0.442 348 Q N 6.687 126.397 119.800 -0.149 0.000 2.381 348 Q HA 0.506 4.845 4.340 -0.000 0.000 0.263 348 Q C -2.641 173.161 176.000 -0.331 0.000 1.030 348 Q CA -2.283 53.261 55.803 -0.432 0.000 0.772 348 Q CB 1.438 29.410 28.738 -1.277 0.000 1.232 348 Q HN 0.393 nan 8.270 nan 0.000 0.476 349 P HA 0.244 nan 4.420 nan 0.000 0.280 349 P C -0.202 177.203 177.300 0.175 0.000 1.244 349 P CA -0.152 62.950 63.100 0.003 0.000 0.784 349 P CB 1.343 33.065 31.700 0.037 0.000 0.913 350 G N 1.845 110.740 108.800 0.158 0.000 2.448 350 G HA2 0.069 4.029 3.960 -0.000 0.000 0.285 350 G HA3 0.069 4.029 3.960 -0.000 0.000 0.285 350 G C 0.302 175.104 174.900 -0.164 0.000 1.176 350 G CA -0.450 44.788 45.100 0.230 0.000 0.852 350 G HN 0.461 nan 8.290 nan 0.000 0.530 351 Y N 1.233 121.021 120.300 -0.852 0.000 2.193 351 Y HA -0.157 4.393 4.550 -0.000 0.000 0.285 351 Y C 1.771 177.135 175.900 -0.894 0.000 1.166 351 Y CA 1.700 58.939 58.100 -1.435 0.000 1.181 351 Y CB -0.073 37.289 38.460 -1.831 0.000 0.976 351 Y HN 0.445 nan 8.280 nan 0.000 0.520 352 F N -0.730 119.075 119.950 -0.242 0.000 2.693 352 F HA 0.291 4.817 4.527 -0.000 0.000 0.303 352 F C 1.987 177.700 175.800 -0.145 0.000 1.097 352 F CA 0.461 58.349 58.000 -0.188 0.000 1.330 352 F CB -0.074 38.896 39.000 -0.050 0.000 1.067 352 F HN 0.136 nan 8.300 nan 0.000 0.565 353 G N 0.595 109.380 108.800 -0.025 0.000 2.530 353 G HA2 -0.466 3.493 3.960 -0.000 0.000 0.247 353 G HA3 -0.466 3.493 3.960 -0.000 0.000 0.247 353 G C 1.537 176.466 174.900 0.048 0.000 1.067 353 G CA 0.993 46.088 45.100 -0.009 0.000 0.650 353 G HN 0.394 nan 8.290 nan 0.000 0.531 354 K N 1.124 121.571 120.400 0.079 0.000 2.296 354 K HA -0.013 4.307 4.320 -0.000 0.000 0.200 354 K C 1.154 177.813 176.600 0.098 0.000 1.048 354 K CA 1.318 57.646 56.287 0.068 0.000 0.966 354 K CB -0.023 32.506 32.500 0.047 0.000 0.754 354 K HN 0.562 nan 8.250 nan 0.000 0.466 355 D N -0.090 120.398 120.400 0.147 0.000 2.587 355 D HA 0.044 4.683 4.640 -0.000 0.000 0.233 355 D C -0.448 176.008 176.300 0.260 0.000 1.213 355 D CA -0.261 53.856 54.000 0.194 0.000 0.827 355 D CB 0.319 41.255 40.800 0.228 0.000 1.006 355 D HN -0.204 nan 8.370 nan 0.000 0.490 356 S N 0.217 116.037 115.700 0.199 0.000 2.616 356 S HA 0.695 5.165 4.470 -0.000 0.000 0.277 356 S C -0.211 174.545 174.600 0.261 0.000 1.234 356 S CA -0.774 57.530 58.200 0.174 0.000 1.028 356 S CB 0.605 63.844 63.200 0.066 0.000 0.988 356 S HN 0.422 nan 8.310 nan 0.000 0.522 357 F N -0.807 119.220 119.950 0.129 0.000 2.626 357 F HA 0.599 5.126 4.527 -0.001 0.000 0.311 357 F C -0.834 175.097 175.800 0.220 0.000 1.088 357 F CA -1.212 56.874 58.000 0.142 0.000 0.949 357 F CB 0.929 40.007 39.000 0.131 0.000 1.322 357 F HN 0.429 nan 8.300 nan 0.000 0.461 358 N N 0.836 119.738 118.700 0.337 0.000 2.509 358 N HA 0.566 5.306 4.740 -0.000 0.000 0.287 358 N C -1.748 174.076 175.510 0.524 0.000 1.121 358 N CA -0.654 52.555 53.050 0.265 0.000 0.977 358 N CB 1.465 40.051 38.487 0.164 0.000 1.167 358 N HN 0.748 nan 8.380 nan 0.000 0.476 359 Y N -1.427 119.077 120.300 0.340 0.000 2.597 359 Y HA 0.455 5.004 4.550 -0.000 0.000 0.340 359 Y C -1.415 174.828 175.900 0.572 0.000 1.097 359 Y CA -1.630 56.782 58.100 0.519 0.000 1.037 359 Y CB 0.572 39.334 38.460 0.502 0.000 1.305 359 Y HN 0.468 nan 8.280 nan 0.000 0.463 360 W N 3.308 124.832 121.300 0.373 0.000 2.388 360 W HA 0.460 5.120 4.660 0.000 0.000 0.308 360 W C -0.059 176.534 176.519 0.123 0.000 1.263 360 W CA -0.456 56.974 57.345 0.141 0.000 1.286 360 W CB 0.882 30.280 29.460 -0.104 0.000 1.294 360 W HN 0.860 nan 8.180 nan 0.000 0.493 361 S N 3.078 118.807 115.700 0.049 0.000 2.486 361 S HA 0.445 4.915 4.470 -0.000 0.000 0.220 361 S C 0.741 175.326 174.600 -0.027 0.000 1.011 361 S CA 0.589 58.803 58.200 0.023 0.000 0.921 361 S CB 0.234 63.411 63.200 -0.039 0.000 0.785 361 S HN 0.855 nan 8.310 nan 0.000 0.517 362 G N 0.628 109.448 108.800 0.033 0.000 2.548 362 G HA2 0.585 4.544 3.960 -0.000 0.000 0.301 362 G HA3 0.585 4.544 3.960 -0.000 0.000 0.301 362 G C -1.917 172.859 174.900 -0.207 0.000 1.349 362 G CA -0.648 44.282 45.100 -0.283 0.000 0.792 362 G HN 0.674 nan 8.290 nan 0.000 0.481 363 N N -2.479 115.755 118.700 -0.777 0.000 3.322 363 N HA 0.488 5.228 4.740 -0.000 0.000 0.233 363 N C -2.123 173.019 175.510 -0.613 0.000 1.399 363 N CA -0.977 51.829 53.050 -0.407 0.000 0.894 363 N CB 1.291 39.818 38.487 0.067 0.000 1.440 363 N HN 0.550 nan 8.380 nan 0.000 0.503 364 Y N -0.232 119.946 120.300 -0.203 0.000 2.485 364 Y HA 0.716 5.266 4.550 -0.000 0.000 0.345 364 Y C -0.608 175.179 175.900 -0.189 0.000 0.998 364 Y CA -1.123 56.863 58.100 -0.190 0.000 1.059 364 Y CB 2.184 40.602 38.460 -0.071 0.000 1.234 364 Y HN 0.491 nan 8.280 nan 0.000 0.461 365 V N 3.096 122.994 119.914 -0.028 0.000 2.823 365 V HA 0.492 4.612 4.120 -0.000 0.000 0.312 365 V C -1.263 174.798 176.094 -0.054 0.000 1.072 365 V CA -0.531 61.691 62.300 -0.130 0.000 0.937 365 V CB 2.063 33.643 31.823 -0.404 0.000 1.013 365 V HN 0.843 nan 8.190 nan 0.000 0.430 366 E N 3.470 123.648 120.200 -0.036 0.000 2.165 366 E HA 0.537 4.887 4.350 -0.000 0.000 0.266 366 E C -0.900 175.723 176.600 0.038 0.000 0.889 366 E CA -0.508 55.892 56.400 0.001 0.000 0.756 366 E CB 1.985 31.675 29.700 -0.017 0.000 1.131 366 E HN 0.863 nan 8.360 nan 0.000 0.411 367 T N 0.528 115.124 114.554 0.069 0.000 2.885 367 T HA 0.460 4.810 4.350 -0.000 0.000 0.285 367 T C -0.259 174.501 174.700 0.100 0.000 1.019 367 T CA -1.093 61.061 62.100 0.091 0.000 1.010 367 T CB 1.977 70.897 68.868 0.086 0.000 1.022 367 T HN 0.278 nan 8.240 nan 0.000 0.466 368 R N 2.554 123.145 120.500 0.151 0.000 2.460 368 R HA 0.478 4.818 4.340 -0.000 0.000 0.303 368 R C -2.937 173.536 176.300 0.289 0.000 0.968 368 R CA -2.100 54.108 56.100 0.180 0.000 0.889 368 R CB 1.041 31.437 30.300 0.160 0.000 1.123 368 R HN 0.423 nan 8.270 nan 0.000 0.455 369 P HA -0.023 nan 4.420 nan 0.000 0.272 369 P C -0.364 177.183 177.300 0.412 0.000 1.248 369 P CA -0.081 63.188 63.100 0.281 0.000 0.799 369 P CB 0.520 32.341 31.700 0.202 0.000 0.997 370 S N -0.090 115.860 115.700 0.417 0.000 2.596 370 S HA 0.129 4.598 4.470 -0.000 0.000 0.260 370 S C 0.566 175.230 174.600 0.107 0.000 1.336 370 S CA -0.538 57.915 58.200 0.422 0.000 0.993 370 S CB -0.247 63.182 63.200 0.382 0.000 0.923 370 S HN 0.346 nan 8.310 nan 0.000 0.567 371 I N 1.663 122.090 120.570 -0.238 0.000 2.919 371 I HA 0.234 4.404 4.170 -0.000 0.000 0.303 371 I C 1.318 177.361 176.117 -0.124 0.000 1.221 371 I CA 1.844 62.939 61.300 -0.341 0.000 1.444 371 I CB 0.065 37.720 38.000 -0.575 0.000 1.331 371 I HN 0.915 nan 8.210 nan 0.000 0.572 372 G N 3.832 112.467 108.800 -0.276 0.000 2.284 372 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.201 372 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.201 372 G C 0.174 174.524 174.900 -0.916 0.000 0.998 372 G CA 0.076 44.744 45.100 -0.720 0.000 0.651 372 G HN 0.890 nan 8.290 nan 0.000 0.489 373 S N -0.528 114.923 115.700 -0.416 0.000 2.614 373 S HA 0.681 5.151 4.470 -0.000 0.000 0.275 373 S C 0.808 175.389 174.600 -0.031 0.000 1.161 373 S CA 0.699 58.779 58.200 -0.200 0.000 0.969 373 S CB 1.726 64.891 63.200 -0.057 0.000 1.059 373 S HN 0.486 nan 8.310 nan 0.000 0.482 374 S N 2.975 118.663 115.700 -0.019 0.000 2.483 374 S HA 0.076 4.546 4.470 -0.000 0.000 0.221 374 S C 0.283 174.904 174.600 0.035 0.000 1.030 374 S CA -0.134 58.081 58.200 0.024 0.000 0.925 374 S CB -0.189 63.018 63.200 0.011 0.000 0.795 374 S HN 0.843 nan 8.310 nan 0.000 0.511 375 K N 3.535 123.950 120.400 0.027 0.000 2.477 375 K HA -0.019 4.301 4.320 -0.000 0.000 0.275 375 K C 0.072 176.697 176.600 0.042 0.000 1.054 375 K CA 0.434 56.739 56.287 0.029 0.000 1.135 375 K CB -0.404 32.116 32.500 0.032 0.000 0.854 375 K HN 0.175 nan 8.250 nan 0.000 0.484 376 T N 1.185 115.756 114.554 0.029 0.000 2.882 376 T HA 0.457 4.806 4.350 -0.000 0.000 0.287 376 T C 0.309 175.026 174.700 0.027 0.000 1.014 376 T CA -0.940 61.180 62.100 0.033 0.000 1.049 376 T CB 0.625 69.502 68.868 0.015 0.000 1.001 376 T HN 0.548 nan 8.240 nan 0.000 0.525 377 I N 1.832 122.424 120.570 0.037 0.000 2.389 377 I HA 0.297 4.467 4.170 -0.000 0.000 0.288 377 I C 0.160 176.293 176.117 0.027 0.000 0.999 377 I CA -0.745 60.575 61.300 0.034 0.000 1.129 377 I CB 1.921 39.950 38.000 0.048 0.000 1.288 377 I HN 0.672 nan 8.210 nan 0.000 0.444 378 T N 4.407 118.960 114.554 -0.001 0.000 2.837 378 T HA 0.340 4.690 4.350 -0.000 0.000 0.285 378 T C 0.302 175.005 174.700 0.005 0.000 0.984 378 T CA -0.633 61.451 62.100 -0.027 0.000 1.049 378 T CB 1.291 70.094 68.868 -0.109 0.000 0.947 378 T HN 0.727 nan 8.240 nan 0.000 0.472 379 S N 3.537 119.254 115.700 0.028 0.000 2.681 379 S HA 0.607 5.077 4.470 -0.000 0.000 0.270 379 S C -2.614 171.932 174.600 -0.091 0.000 1.209 379 S CA -1.354 56.858 58.200 0.020 0.000 0.988 379 S CB 0.185 63.431 63.200 0.077 0.000 1.006 379 S HN 0.321 nan 8.310 nan 0.000 0.558 380 P HA 0.271 nan 4.420 nan 0.000 0.274 380 P C -0.719 176.286 177.300 -0.491 0.000 1.260 380 P CA -0.555 62.401 63.100 -0.240 0.000 0.793 380 P CB 0.171 31.712 31.700 -0.264 0.000 1.048 381 F N 0.880 120.556 119.950 -0.458 0.000 2.443 381 F HA 0.313 4.840 4.527 -0.000 0.000 0.353 381 F C -0.637 174.727 175.800 -0.727 0.000 1.101 381 F CA -0.088 57.348 58.000 -0.939 0.000 1.226 381 F CB 0.083 38.548 39.000 -0.891 0.000 1.140 381 F HN 0.192 nan 8.300 nan 0.000 0.557 382 Y N 4.657 124.169 120.300 -1.313 0.000 2.341 382 Y HA 0.536 5.085 4.550 -0.000 0.000 0.338 382 Y C 0.742 175.931 175.900 -1.184 0.000 0.965 382 Y CA -0.263 57.249 58.100 -0.980 0.000 1.108 382 Y CB 1.402 39.404 38.460 -0.763 0.000 1.180 382 Y HN 1.053 nan 8.280 nan 0.000 0.458 383 G N 2.771 111.240 108.800 -0.551 0.000 2.499 383 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.232 383 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.232 383 G C -1.284 173.587 174.900 -0.048 0.000 1.251 383 G CA -0.695 44.197 45.100 -0.347 0.000 0.917 383 G HN 0.521 nan 8.290 nan 0.000 0.580 384 D N 1.368 121.828 120.400 0.100 0.000 2.163 384 D HA 0.457 5.097 4.640 -0.000 0.000 0.248 384 D C 0.444 177.026 176.300 0.469 0.000 1.035 384 D CA -0.471 53.695 54.000 0.277 0.000 0.872 384 D CB 1.265 42.158 40.800 0.156 0.000 1.183 384 D HN 0.318 nan 8.370 nan 0.000 0.445 385 K N 0.683 121.269 120.400 0.311 0.000 2.355 385 K HA 0.129 4.449 4.320 -0.000 0.000 0.270 385 K C 0.508 177.232 176.600 0.207 0.000 1.003 385 K CA -0.234 56.174 56.287 0.202 0.000 0.957 385 K CB 0.616 33.058 32.500 -0.097 0.000 0.939 385 K HN 0.460 nan 8.250 nan 0.000 0.482 386 S N 0.593 116.395 115.700 0.170 0.000 2.584 386 S HA 0.080 4.550 4.470 -0.000 0.000 0.270 386 S C 0.863 175.453 174.600 -0.017 0.000 1.346 386 S CA -0.339 57.876 58.200 0.025 0.000 1.018 386 S CB 1.009 64.159 63.200 -0.082 0.000 0.899 386 S HN 0.547 nan 8.310 nan 0.000 0.542 387 T N 0.443 114.988 114.554 -0.016 0.000 2.969 387 T HA 0.222 4.572 4.350 -0.000 0.000 0.250 387 T C 0.302 174.990 174.700 -0.020 0.000 1.021 387 T CA 0.165 62.254 62.100 -0.018 0.000 1.003 387 T CB 0.037 68.896 68.868 -0.014 0.000 1.040 387 T HN 0.571 nan 8.240 nan 0.000 0.492 388 E N 1.247 121.436 120.200 -0.017 0.000 2.396 388 E HA 0.433 4.783 4.350 -0.000 0.000 0.251 388 E C -2.720 173.869 176.600 -0.019 0.000 0.949 388 E CA -2.396 53.999 56.400 -0.008 0.000 0.834 388 E CB 0.101 29.809 29.700 0.014 0.000 1.309 388 E HN -0.025 nan 8.360 nan 0.000 0.405 389 P HA 0.029 nan 4.420 nan 0.000 0.271 389 P C -0.377 176.926 177.300 0.005 0.000 1.216 389 P CA -0.236 62.856 63.100 -0.012 0.000 0.776 389 P CB 0.483 32.183 31.700 -0.001 0.000 0.881 390 V N 0.773 120.670 119.914 -0.028 0.000 2.686 390 V HA 0.383 4.503 4.120 -0.000 0.000 0.295 390 V C -0.301 175.855 176.094 0.103 0.000 1.057 390 V CA -0.378 61.929 62.300 0.011 0.000 1.012 390 V CB 0.731 32.503 31.823 -0.084 0.000 1.006 390 V HN 0.401 nan 8.190 nan 0.000 0.477 391 Q N 2.136 122.069 119.800 0.221 0.000 2.333 391 Q HA 0.599 4.939 4.340 -0.000 0.000 0.267 391 Q C -1.021 175.149 176.000 0.283 0.000 1.012 391 Q CA -0.779 55.157 55.803 0.221 0.000 0.824 391 Q CB 2.340 31.215 28.738 0.227 0.000 1.290 391 Q HN 0.789 nan 8.270 nan 0.000 0.449 392 K N 2.947 123.436 120.400 0.149 0.000 2.323 392 K HA 0.514 4.834 4.320 -0.000 0.000 0.259 392 K C -1.722 174.871 176.600 -0.012 0.000 0.947 392 K CA -0.268 56.064 56.287 0.074 0.000 0.819 392 K CB 0.831 33.341 32.500 0.016 0.000 1.109 392 K HN 0.534 nan 8.250 nan 0.000 0.429 393 L N 2.543 123.703 121.223 -0.106 0.000 2.362 393 L HA 0.506 4.846 4.340 -0.000 0.000 0.275 393 L C -0.582 175.860 176.870 -0.714 0.000 0.998 393 L CA -0.950 53.651 54.840 -0.398 0.000 0.820 393 L CB 2.163 43.978 42.059 -0.407 0.000 1.270 393 L HN 0.606 nan 8.230 nan 0.000 0.415 394 S N 1.830 117.104 115.700 -0.710 0.000 2.478 394 S HA 0.562 5.032 4.470 -0.000 0.000 0.312 394 S C -0.178 174.028 174.600 -0.656 0.000 1.094 394 S CA -0.475 57.383 58.200 -0.570 0.000 1.081 394 S CB 0.537 63.579 63.200 -0.263 0.000 1.007 394 S HN 0.425 nan 8.310 nan 0.000 0.475 395 F N 1.732 121.613 119.950 -0.115 0.000 2.684 395 F HA 0.259 4.786 4.527 -0.000 0.000 0.298 395 F C 0.743 176.491 175.800 -0.088 0.000 1.120 395 F CA -0.908 57.029 58.000 -0.105 0.000 1.332 395 F CB -0.068 38.850 39.000 -0.137 0.000 0.986 395 F HN 0.503 nan 8.300 nan 0.000 0.524 396 D N 1.037 121.448 120.400 0.019 0.000 2.581 396 D HA 0.251 4.891 4.640 -0.000 0.000 0.238 396 D C 1.358 177.635 176.300 -0.038 0.000 1.145 396 D CA 1.600 55.588 54.000 -0.019 0.000 0.866 396 D CB 0.463 41.236 40.800 -0.045 0.000 1.151 396 D HN 0.516 nan 8.370 nan 0.000 0.500 397 G N 2.714 111.464 108.800 -0.083 0.000 2.159 397 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.256 397 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.256 397 G C -0.025 174.836 174.900 -0.065 0.000 0.977 397 G CA 0.182 45.219 45.100 -0.106 0.000 0.652 397 G HN 0.603 nan 8.290 nan 0.000 0.531 398 Q N -0.459 119.336 119.800 -0.009 0.000 2.399 398 Q HA 0.618 4.957 4.340 -0.000 0.000 0.276 398 Q C -0.462 175.570 176.000 0.054 0.000 1.098 398 Q CA -0.739 55.085 55.803 0.036 0.000 0.827 398 Q CB 1.773 30.575 28.738 0.107 0.000 1.386 398 Q HN 0.162 nan 8.270 nan 0.000 0.443 399 K N 1.470 121.932 120.400 0.104 0.000 2.367 399 K HA 0.380 4.699 4.320 -0.000 0.000 0.263 399 K C -0.811 175.839 176.600 0.084 0.000 1.000 399 K CA -0.610 55.758 56.287 0.135 0.000 0.891 399 K CB 1.581 34.249 32.500 0.281 0.000 1.117 399 K HN 0.320 nan 8.250 nan 0.000 0.443 400 V N 5.665 125.546 119.914 -0.054 0.000 2.372 400 V HA 0.045 4.165 4.120 -0.000 0.000 0.261 400 V C 0.592 176.636 176.094 -0.082 0.000 1.055 400 V CA -0.262 61.943 62.300 -0.159 0.000 0.930 400 V CB -0.512 31.096 31.823 -0.359 0.000 1.031 400 V HN 0.676 nan 8.190 nan 0.000 0.479 401 Y N 3.313 123.523 120.300 -0.151 0.000 2.458 401 Y HA 0.579 5.129 4.550 -0.000 0.000 0.256 401 Y C 0.652 176.588 175.900 0.061 0.000 1.159 401 Y CA -0.716 57.253 58.100 -0.219 0.000 1.261 401 Y CB 0.178 38.149 38.460 -0.814 0.000 1.119 401 Y HN 0.469 nan 8.280 nan 0.000 0.524 402 R N 0.745 121.188 120.500 -0.095 0.000 2.644 402 R HA 0.406 4.745 4.340 -0.000 0.000 0.257 402 R C -1.824 174.465 176.300 -0.019 0.000 1.082 402 R CA -0.006 56.108 56.100 0.022 0.000 0.927 402 R CB 1.576 31.839 30.300 -0.061 0.000 1.258 402 R HN 0.303 nan 8.270 nan 0.000 0.459 403 T N 1.443 116.044 114.554 0.078 0.000 2.921 403 T HA 0.609 4.959 4.350 -0.000 0.000 0.297 403 T C -0.315 174.405 174.700 0.033 0.000 1.013 403 T CA -0.719 61.338 62.100 -0.073 0.000 0.990 403 T CB 1.174 69.996 68.868 -0.077 0.000 1.023 403 T HN 0.408 nan 8.240 nan 0.000 0.447 404 I N 2.374 122.917 120.570 -0.046 0.000 2.439 404 I HA 0.652 4.822 4.170 -0.000 0.000 0.285 404 I C 0.109 176.230 176.117 0.006 0.000 1.021 404 I CA -1.183 60.121 61.300 0.007 0.000 1.091 404 I CB 1.697 39.684 38.000 -0.021 0.000 1.242 404 I HN 0.952 nan 8.210 nan 0.000 0.439 405 A N 5.320 128.190 122.820 0.082 0.000 2.325 405 A HA 0.751 5.070 4.320 -0.000 0.000 0.333 405 A C -0.779 176.842 177.584 0.060 0.000 1.155 405 A CA -0.607 51.498 52.037 0.114 0.000 0.814 405 A CB 0.896 20.037 19.000 0.234 0.000 1.206 405 A HN 0.817 nan 8.150 nan 0.000 0.482 406 N N -0.417 118.295 118.700 0.019 0.000 2.240 406 N HA 0.648 5.388 4.740 -0.000 0.000 0.302 406 N C -0.625 174.907 175.510 0.037 0.000 1.106 406 N CA -0.398 52.627 53.050 -0.041 0.000 0.778 406 N CB 2.269 40.563 38.487 -0.322 0.000 1.431 406 N HN 0.614 nan 8.380 nan 0.000 0.479 407 T N -0.406 114.153 114.554 0.009 0.000 2.807 407 T HA 0.439 4.788 4.350 -0.000 0.000 0.277 407 T C -1.644 172.965 174.700 -0.153 0.000 1.006 407 T CA -0.322 61.715 62.100 -0.105 0.000 1.006 407 T CB 1.323 70.035 68.868 -0.259 0.000 1.274 407 T HN 0.441 nan 8.240 nan 0.000 0.569 408 D N -0.508 119.657 120.400 -0.392 0.000 2.622 408 D HA 0.579 5.219 4.640 -0.000 0.000 0.255 408 D C -1.508 174.377 176.300 -0.690 0.000 1.246 408 D CA -0.173 53.471 54.000 -0.594 0.000 0.795 408 D CB 2.122 42.368 40.800 -0.923 0.000 1.369 408 D HN 0.397 nan 8.370 nan 0.000 0.425 409 V N -1.145 118.485 119.914 -0.475 0.000 3.130 409 V HA 1.003 5.123 4.120 -0.000 0.000 0.310 409 V C -0.862 175.321 176.094 0.148 0.000 1.158 409 V CA -1.051 61.183 62.300 -0.110 0.000 1.029 409 V CB 1.600 33.413 31.823 -0.015 0.000 1.057 409 V HN 0.813 nan 8.190 nan 0.000 0.436 410 A N 1.046 124.107 122.820 0.401 0.000 2.547 410 A HA 0.895 5.215 4.320 -0.000 0.000 0.279 410 A C -0.359 177.549 177.584 0.540 0.000 1.088 410 A CA 0.080 52.427 52.037 0.516 0.000 0.796 410 A CB 0.936 20.340 19.000 0.673 0.000 1.308 410 A HN 1.959 nan 8.150 nan 0.000 0.415 411 A N 1.952 125.035 122.820 0.438 0.000 2.301 411 A HA 0.703 5.023 4.320 -0.000 0.000 0.312 411 A C -0.982 176.938 177.584 0.560 0.000 1.182 411 A CA -0.257 52.013 52.037 0.388 0.000 0.826 411 A CB 0.236 19.373 19.000 0.228 0.000 1.134 411 A HN 0.762 nan 8.150 nan 0.000 0.501 412 W N 2.429 123.775 121.300 0.076 0.000 2.512 412 W HA 0.510 5.170 4.660 0.000 0.000 0.335 412 W C -2.002 174.424 176.519 -0.154 0.000 1.088 412 W CA -1.974 55.338 57.345 -0.055 0.000 1.236 412 W CB 0.699 30.143 29.460 -0.027 0.000 1.307 412 W HN 0.522 nan 8.180 nan 0.000 0.567 413 P HA -0.213 nan 4.420 nan 0.000 0.216 413 P C 1.003 178.260 177.300 -0.071 0.000 1.150 413 P CA 1.823 64.845 63.100 -0.130 0.000 0.843 413 P CB 0.171 31.670 31.700 -0.335 0.000 0.787 414 N N -1.048 117.607 118.700 -0.075 0.000 2.471 414 N HA -0.006 4.733 4.740 -0.000 0.000 0.205 414 N C 1.164 176.683 175.510 0.015 0.000 1.251 414 N CA 1.060 54.106 53.050 -0.007 0.000 0.843 414 N CB -0.693 37.813 38.487 0.033 0.000 1.044 414 N HN 0.182 nan 8.380 nan 0.000 0.461 415 G N 0.626 109.439 108.800 0.022 0.000 2.212 415 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.266 415 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.266 415 G C -0.088 174.764 174.900 -0.080 0.000 0.978 415 G CA -0.002 45.094 45.100 -0.006 0.000 0.632 415 G HN 0.371 nan 8.290 nan 0.000 0.537 416 K N 0.893 121.216 120.400 -0.128 0.000 2.349 416 K HA 0.489 4.809 4.320 -0.000 0.000 0.288 416 K C 0.183 176.465 176.600 -0.531 0.000 1.058 416 K CA -0.154 55.860 56.287 -0.455 0.000 0.953 416 K CB 2.053 34.176 32.500 -0.628 0.000 0.997 416 K HN 0.159 nan 8.250 nan 0.000 0.477 417 V N 4.389 123.946 119.914 -0.595 0.000 2.581 417 V HA 0.401 4.521 4.120 -0.000 0.000 0.303 417 V C -0.851 174.861 176.094 -0.636 0.000 1.041 417 V CA -0.889 61.187 62.300 -0.373 0.000 0.907 417 V CB 0.902 32.648 31.823 -0.128 0.000 0.994 417 V HN 0.546 nan 8.190 nan 0.000 0.442 418 Y N 4.036 124.320 120.300 -0.027 0.000 2.425 418 Y HA 0.781 5.331 4.550 -0.000 0.000 0.344 418 Y C -0.284 175.677 175.900 0.101 0.000 0.969 418 Y CA -0.668 57.418 58.100 -0.023 0.000 1.052 418 Y CB 1.892 40.304 38.460 -0.080 0.000 1.215 418 Y HN 0.414 nan 8.280 nan 0.000 0.451 419 L N 1.645 122.980 121.223 0.185 0.000 2.350 419 L HA 1.024 5.363 4.340 -0.000 0.000 0.260 419 L C -0.071 176.777 176.870 -0.037 0.000 1.015 419 L CA -0.752 54.099 54.840 0.019 0.000 0.821 419 L CB 2.823 44.809 42.059 -0.122 0.000 1.370 419 L HN 0.827 nan 8.230 nan 0.000 0.416 420 G N -0.075 108.585 108.800 -0.233 0.000 2.489 420 G HA2 0.454 4.414 3.960 -0.000 0.000 0.291 420 G HA3 0.454 4.414 3.960 -0.000 0.000 0.291 420 G C -2.035 172.933 174.900 0.113 0.000 1.487 420 G CA -0.617 44.514 45.100 0.053 0.000 0.795 420 G HN 0.266 nan 8.290 nan 0.000 0.513 421 V N 1.364 121.536 119.914 0.430 0.000 2.432 421 V HA 0.381 4.501 4.120 -0.000 0.000 0.271 421 V C 1.580 178.113 176.094 0.731 0.000 1.046 421 V CA 0.657 63.282 62.300 0.541 0.000 0.945 421 V CB 0.905 33.209 31.823 0.802 0.000 0.992 421 V HN 1.108 nan 8.190 nan 0.000 0.471 422 T N 1.218 116.059 114.554 0.479 0.000 3.037 422 T HA 0.237 4.587 4.350 -0.000 0.000 0.251 422 T C 0.425 175.264 174.700 0.231 0.000 1.079 422 T CA 0.085 62.439 62.100 0.423 0.000 1.067 422 T CB 0.292 69.366 68.868 0.343 0.000 0.948 422 T HN 0.518 nan 8.240 nan 0.000 0.496 423 K N 0.196 120.735 120.400 0.231 0.000 2.578 423 K HA 0.565 4.885 4.320 -0.000 0.000 0.269 423 K C -2.424 174.239 176.600 0.106 0.000 0.941 423 K CA -0.760 55.556 56.287 0.048 0.000 0.847 423 K CB 2.591 34.989 32.500 -0.170 0.000 1.397 423 K HN -0.000 nan 8.250 nan 0.000 0.422 424 V N 2.512 122.460 119.914 0.057 0.000 2.711 424 V HA 0.326 4.446 4.120 -0.000 0.000 0.304 424 V C -1.463 174.522 176.094 -0.182 0.000 1.097 424 V CA -0.992 61.273 62.300 -0.058 0.000 0.906 424 V CB 2.028 33.825 31.823 -0.044 0.000 1.015 424 V HN 0.766 nan 8.190 nan 0.000 0.427 425 D N 3.861 124.115 120.400 -0.244 0.000 2.303 425 D HA 0.483 5.123 4.640 -0.000 0.000 0.236 425 D C -0.948 175.163 176.300 -0.315 0.000 1.068 425 D CA -0.026 53.880 54.000 -0.157 0.000 0.830 425 D CB 1.930 42.679 40.800 -0.085 0.000 1.109 425 D HN 0.321 nan 8.370 nan 0.000 0.496 426 F N 1.066 121.027 119.950 0.017 0.000 2.334 426 F HA 0.148 4.675 4.527 -0.001 0.000 0.367 426 F C 0.969 176.703 175.800 -0.110 0.000 1.115 426 F CA -0.538 57.428 58.000 -0.055 0.000 1.116 426 F CB 1.053 40.060 39.000 0.012 0.000 1.230 426 F HN -0.022 nan 8.300 nan 0.000 0.484 427 S N 4.189 119.798 115.700 -0.153 0.000 2.405 427 S HA 0.204 4.674 4.470 -0.000 0.000 0.291 427 S C -0.119 174.156 174.600 -0.542 0.000 1.137 427 S CA -0.757 57.236 58.200 -0.345 0.000 1.061 427 S CB 0.035 62.900 63.200 -0.558 0.000 1.001 427 S HN 0.610 nan 8.310 nan 0.000 0.507 428 Q N 2.638 122.349 119.800 -0.149 0.000 2.257 428 Q HA 0.606 4.946 4.340 -0.000 0.000 0.262 428 Q C -1.333 174.856 176.000 0.315 0.000 0.997 428 Q CA -0.951 54.868 55.803 0.027 0.000 0.873 428 Q CB 1.434 30.244 28.738 0.120 0.000 1.312 428 Q HN 0.579 nan 8.270 nan 0.000 0.450 429 Y N 0.854 121.316 120.300 0.271 0.000 2.425 429 Y HA 0.343 4.892 4.550 -0.000 0.000 0.344 429 Y C -1.705 174.299 175.900 0.174 0.000 0.969 429 Y CA -1.380 56.892 58.100 0.288 0.000 1.052 429 Y CB 2.129 40.784 38.460 0.326 0.000 1.215 429 Y HN 0.795 nan 8.280 nan 0.000 0.451 430 D N 4.600 124.676 120.400 -0.540 0.000 2.392 430 D HA 0.184 4.824 4.640 -0.000 0.000 0.228 430 D C 0.248 176.076 176.300 -0.785 0.000 1.074 430 D CA -0.109 53.612 54.000 -0.465 0.000 0.838 430 D CB 1.023 41.696 40.800 -0.211 0.000 1.067 430 D HN 0.713 nan 8.370 nan 0.000 0.511 431 D N 2.821 122.921 120.400 -0.500 0.000 2.092 431 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 431 D C 1.535 177.748 176.300 -0.144 0.000 0.994 431 D CA 1.053 54.895 54.000 -0.264 0.000 0.828 431 D CB 0.254 41.049 40.800 -0.010 0.000 0.963 431 D HN 0.603 nan 8.370 nan 0.000 0.450 432 Q N 0.656 120.397 119.800 -0.098 0.000 1.900 432 Q HA -0.193 4.147 4.340 -0.000 0.000 0.219 432 Q C 1.944 177.915 176.000 -0.048 0.000 1.012 432 Q CA 1.653 57.427 55.803 -0.048 0.000 0.876 432 Q CB -0.095 28.620 28.738 -0.039 0.000 0.952 432 Q HN 0.230 nan 8.270 nan 0.000 0.419 433 K N 0.738 121.102 120.400 -0.061 0.000 2.555 433 K HA -0.021 4.299 4.320 -0.000 0.000 0.193 433 K C 0.390 176.977 176.600 -0.022 0.000 1.032 433 K CA 0.085 56.353 56.287 -0.032 0.000 1.004 433 K CB -0.101 32.385 32.500 -0.024 0.000 0.804 433 K HN 0.300 nan 8.250 nan 0.000 0.496 434 N N 2.480 121.134 118.700 -0.077 0.000 2.705 434 N HA -0.177 4.563 4.740 -0.000 0.000 0.255 434 N C -1.261 174.318 175.510 0.116 0.000 1.008 434 N CA 1.095 54.149 53.050 0.007 0.000 0.742 434 N CB -0.770 37.791 38.487 0.122 0.000 0.906 434 N HN 0.634 nan 8.380 nan 0.000 0.541 435 E N -1.359 118.859 120.200 0.029 0.000 2.256 435 E HA 0.621 4.971 4.350 -0.000 0.000 0.267 435 E C -0.408 176.325 176.600 0.221 0.000 0.892 435 E CA -0.854 55.623 56.400 0.129 0.000 0.775 435 E CB 1.437 31.175 29.700 0.065 0.000 1.207 435 E HN 0.222 nan 8.360 nan 0.000 0.420 436 T N -0.250 114.474 114.554 0.282 0.000 2.918 436 T HA 0.742 5.092 4.350 -0.000 0.000 0.286 436 T C -0.054 174.770 174.700 0.206 0.000 1.026 436 T CA -0.556 61.750 62.100 0.343 0.000 1.031 436 T CB 1.366 70.459 68.868 0.375 0.000 1.046 436 T HN 0.725 nan 8.240 nan 0.000 0.479 437 S N 0.593 116.403 115.700 0.184 0.000 2.661 437 S HA 0.777 5.247 4.470 -0.000 0.000 0.268 437 S C -1.041 173.618 174.600 0.099 0.000 1.162 437 S CA -1.001 57.270 58.200 0.120 0.000 0.817 437 S CB 1.430 64.688 63.200 0.096 0.000 1.141 437 S HN 0.876 nan 8.310 nan 0.000 0.477 438 T N 0.930 115.534 114.554 0.085 0.000 2.916 438 T HA 0.728 5.078 4.350 -0.000 0.000 0.292 438 T C -1.374 173.396 174.700 0.117 0.000 1.055 438 T CA -0.684 61.469 62.100 0.088 0.000 1.009 438 T CB 1.755 70.659 68.868 0.059 0.000 1.118 438 T HN 0.626 nan 8.240 nan 0.000 0.497 439 Q N 0.443 120.355 119.800 0.186 0.000 2.379 439 Q HA 0.619 4.959 4.340 -0.000 0.000 0.278 439 Q C -1.424 174.742 176.000 0.275 0.000 1.068 439 Q CA -0.791 55.134 55.803 0.202 0.000 0.816 439 Q CB 2.762 31.643 28.738 0.238 0.000 1.387 439 Q HN 0.668 nan 8.270 nan 0.000 0.413 440 T N 0.820 115.476 114.554 0.169 0.000 2.909 440 T HA 0.380 4.730 4.350 -0.000 0.000 0.299 440 T C -1.772 172.931 174.700 0.006 0.000 1.073 440 T CA -0.582 61.591 62.100 0.122 0.000 0.999 440 T CB 1.059 69.935 68.868 0.013 0.000 1.098 440 T HN 0.474 nan 8.240 nan 0.000 0.477 441 Y N 2.219 122.398 120.300 -0.201 0.000 2.356 441 Y HA 0.562 5.112 4.550 -0.000 0.000 0.334 441 Y C -1.054 174.679 175.900 -0.278 0.000 0.958 441 Y CA -1.081 56.708 58.100 -0.517 0.000 1.196 441 Y CB 0.853 38.616 38.460 -1.162 0.000 1.137 441 Y HN 0.507 nan 8.280 nan 0.000 0.485 442 D N 3.603 123.488 120.400 -0.859 0.000 2.481 442 D HA 0.137 4.777 4.640 -0.000 0.000 0.246 442 D C 0.706 176.567 176.300 -0.732 0.000 1.109 442 D CA 0.043 53.667 54.000 -0.627 0.000 0.845 442 D CB 1.942 42.587 40.800 -0.259 0.000 1.160 442 D HN 0.698 nan 8.370 nan 0.000 0.534 443 S N 3.237 118.562 115.700 -0.625 0.000 2.440 443 S HA -0.183 4.287 4.470 -0.000 0.000 0.238 443 S C 0.875 175.428 174.600 -0.080 0.000 1.010 443 S CA 0.864 58.922 58.200 -0.235 0.000 0.972 443 S CB -0.209 63.062 63.200 0.120 0.000 0.774 443 S HN 0.728 nan 8.310 nan 0.000 0.501 444 K N -0.750 119.603 120.400 -0.078 0.000 3.467 444 K HA -0.145 4.175 4.320 -0.000 0.000 0.309 444 K C 0.053 176.668 176.600 0.024 0.000 1.350 444 K CA 0.980 57.251 56.287 -0.028 0.000 0.934 444 K CB -1.352 31.125 32.500 -0.039 0.000 1.312 444 K HN 0.578 nan 8.250 nan 0.000 0.461 445 R N 1.251 121.793 120.500 0.071 0.000 2.585 445 R HA 0.191 4.530 4.340 -0.000 0.000 0.288 445 R C -1.823 174.583 176.300 0.176 0.000 1.194 445 R CA -0.402 55.763 56.100 0.108 0.000 1.006 445 R CB 0.614 30.985 30.300 0.117 0.000 1.229 445 R HN 0.367 nan 8.270 nan 0.000 0.412 446 N N 2.302 121.059 118.700 0.094 0.000 2.710 446 N HA 0.129 4.869 4.740 -0.000 0.000 0.257 446 N C -1.006 174.481 175.510 -0.038 0.000 1.327 446 N CA -0.947 52.130 53.050 0.045 0.000 0.861 446 N CB 1.180 39.619 38.487 -0.079 0.000 1.532 446 N HN 0.391 nan 8.380 nan 0.000 0.499 447 N N -0.272 118.396 118.700 -0.054 0.000 2.322 447 N HA 0.208 4.948 4.740 -0.000 0.000 0.194 447 N C 0.578 176.018 175.510 -0.117 0.000 1.126 447 N CA 0.426 53.445 53.050 -0.052 0.000 0.845 447 N CB 0.892 39.378 38.487 -0.002 0.000 0.976 447 N HN 0.863 nan 8.380 nan 0.000 0.475 448 G N 0.014 108.674 108.800 -0.234 0.000 2.361 448 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.331 448 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.331 448 G C -1.977 172.694 174.900 -0.382 0.000 1.324 448 G CA -0.863 44.075 45.100 -0.270 0.000 0.984 448 G HN 0.239 nan 8.290 nan 0.000 0.586 449 H N 0.043 119.092 119.070 -0.036 0.000 2.718 449 H HA 0.520 5.076 4.556 -0.000 0.000 0.295 449 H C 0.549 175.852 175.328 -0.041 0.000 1.051 449 H CA -0.371 55.652 56.048 -0.042 0.000 1.260 449 H CB 1.015 30.764 29.762 -0.022 0.000 1.403 449 H HN 0.443 nan 8.280 nan 0.000 0.488 450 V N 2.519 122.473 119.914 0.067 0.000 2.924 450 V HA 0.062 4.182 4.120 -0.000 0.000 0.305 450 V C 0.964 177.086 176.094 0.047 0.000 1.073 450 V CA -0.100 62.214 62.300 0.024 0.000 1.098 450 V CB 1.162 32.966 31.823 -0.031 0.000 1.000 450 V HN 0.681 nan 8.190 nan 0.000 0.484 451 S N 1.207 116.929 115.700 0.037 0.000 2.672 451 S HA 0.858 5.328 4.470 -0.000 0.000 0.276 451 S C 0.210 174.838 174.600 0.047 0.000 1.207 451 S CA 0.182 58.404 58.200 0.037 0.000 1.002 451 S CB 1.705 64.926 63.200 0.035 0.000 0.998 451 S HN 1.147 nan 8.310 nan 0.000 0.542 452 A N 0.561 123.418 122.820 0.061 0.000 3.742 452 A HA 0.585 4.905 4.320 -0.000 0.000 0.282 452 A C -0.969 176.676 177.584 0.101 0.000 1.117 452 A CA -0.686 51.413 52.037 0.103 0.000 0.624 452 A CB 0.068 19.158 19.000 0.149 0.000 1.548 452 A HN 0.661 nan 8.150 nan 0.000 0.723 453 Q N 0.483 120.363 119.800 0.135 0.000 2.283 453 Q HA 0.153 4.493 4.340 -0.000 0.000 0.301 453 Q C -1.251 174.816 176.000 0.112 0.000 1.063 453 Q CA 0.547 56.425 55.803 0.125 0.000 0.952 453 Q CB 0.249 29.084 28.738 0.161 0.000 1.166 453 Q HN 0.514 nan 8.270 nan 0.000 0.381 454 D N 1.869 122.315 120.400 0.077 0.000 2.425 454 D HA 0.102 4.741 4.640 -0.000 0.000 0.240 454 D C 0.749 177.071 176.300 0.037 0.000 1.080 454 D CA -0.137 53.897 54.000 0.055 0.000 0.836 454 D CB 1.427 42.244 40.800 0.029 0.000 1.125 454 D HN 0.590 nan 8.370 nan 0.000 0.525 455 S N 4.148 119.875 115.700 0.045 0.000 2.365 455 S HA -0.277 4.193 4.470 -0.000 0.000 0.225 455 S C 2.253 176.750 174.600 -0.172 0.000 1.039 455 S CA 1.502 59.654 58.200 -0.080 0.000 1.033 455 S CB -0.911 62.204 63.200 -0.142 0.000 0.887 455 S HN 0.720 nan 8.310 nan 0.000 0.447 456 I N 0.404 120.918 120.570 -0.094 0.000 2.502 456 I HA -0.177 3.993 4.170 -0.000 0.000 0.258 456 I C 1.429 177.501 176.117 -0.074 0.000 1.172 456 I CA 1.960 63.215 61.300 -0.075 0.000 1.430 456 I CB -0.690 37.304 38.000 -0.011 0.000 1.086 456 I HN 0.067 nan 8.210 nan 0.000 0.440 457 D N 1.132 121.496 120.400 -0.060 0.000 2.178 457 D HA -0.133 4.507 4.640 -0.000 0.000 0.202 457 D C 2.299 178.553 176.300 -0.076 0.000 0.974 457 D CA 1.165 55.134 54.000 -0.051 0.000 0.841 457 D CB -0.141 40.643 40.800 -0.027 0.000 0.953 457 D HN 0.642 nan 8.370 nan 0.000 0.478 458 Q N -0.312 119.419 119.800 -0.114 0.000 2.226 458 Q HA 0.139 4.478 4.340 -0.000 0.000 0.199 458 Q C 0.843 176.720 176.000 -0.204 0.000 0.945 458 Q CA 0.498 56.214 55.803 -0.144 0.000 0.861 458 Q CB 0.836 29.478 28.738 -0.160 0.000 0.953 458 Q HN 0.256 nan 8.270 nan 0.000 0.490 459 L N 3.252 124.309 121.223 -0.278 0.000 2.581 459 L HA 0.353 4.693 4.340 -0.000 0.000 0.241 459 L C -2.284 174.502 176.870 -0.140 0.000 1.265 459 L CA -1.691 52.967 54.840 -0.303 0.000 0.954 459 L CB 0.847 42.540 42.059 -0.609 0.000 1.269 459 L HN -0.076 nan 8.230 nan 0.000 0.475 460 P HA 0.125 nan 4.420 nan 0.000 0.270 460 P C -2.506 174.814 177.300 0.033 0.000 1.227 460 P CA -0.840 62.250 63.100 -0.016 0.000 0.788 460 P CB -0.113 31.576 31.700 -0.018 0.000 0.926 461 P HA 0.170 nan 4.420 nan 0.000 0.279 461 P C 0.545 177.863 177.300 0.030 0.000 1.282 461 P CA -0.077 63.053 63.100 0.050 0.000 0.788 461 P CB 0.945 32.667 31.700 0.038 0.000 1.139 462 E N -1.008 119.195 120.200 0.005 0.000 2.358 462 E HA 0.027 4.377 4.350 -0.000 0.000 0.195 462 E C -0.044 176.565 176.600 0.014 0.000 1.010 462 E CA 0.901 57.309 56.400 0.012 0.000 0.856 462 E CB 0.028 29.723 29.700 -0.009 0.000 0.795 462 E HN 0.556 nan 8.360 nan 0.000 0.504 463 T N -1.869 112.685 114.554 0.000 0.000 2.840 463 T HA 0.121 4.471 4.350 -0.000 0.000 0.317 463 T C 0.535 175.232 174.700 -0.005 0.000 1.401 463 T CA -0.585 61.516 62.100 0.001 0.000 1.028 463 T CB 1.609 70.476 68.868 -0.000 0.000 1.317 463 T HN -0.029 nan 8.240 nan 0.000 0.495 464 T N -2.689 111.863 114.554 -0.004 0.000 3.037 464 T HA 0.081 4.431 4.350 -0.000 0.000 0.252 464 T C 0.817 175.514 174.700 -0.006 0.000 1.073 464 T CA 0.766 62.863 62.100 -0.005 0.000 1.091 464 T CB -0.543 68.322 68.868 -0.006 0.000 0.935 464 T HN 0.713 nan 8.240 nan 0.000 0.488 465 D N 1.050 121.447 120.400 -0.005 0.000 2.519 465 D HA 0.181 4.821 4.640 -0.000 0.000 0.238 465 D C 0.129 176.423 176.300 -0.010 0.000 1.192 465 D CA -0.270 53.727 54.000 -0.004 0.000 0.835 465 D CB -0.068 40.733 40.800 0.001 0.000 0.975 465 D HN 0.317 nan 8.370 nan 0.000 0.490 466 E N 1.261 121.450 120.200 -0.018 0.000 2.308 466 E HA 0.237 4.587 4.350 -0.000 0.000 0.275 466 E C -2.659 173.914 176.600 -0.045 0.000 0.890 466 E CA -2.084 54.296 56.400 -0.033 0.000 0.754 466 E CB 2.263 31.936 29.700 -0.045 0.000 1.207 466 E HN 0.081 nan 8.360 nan 0.000 0.426 467 P HA -0.042 nan 4.420 nan 0.000 0.263 467 P C 1.107 178.340 177.300 -0.111 0.000 1.195 467 P CA -0.164 62.896 63.100 -0.068 0.000 0.762 467 P CB 0.771 32.426 31.700 -0.075 0.000 0.799 468 L N 4.536 125.710 121.223 -0.081 0.000 2.054 468 L HA -0.255 4.085 4.340 -0.000 0.000 0.220 468 L C 2.187 178.897 176.870 -0.267 0.000 1.081 468 L CA 2.320 57.104 54.840 -0.092 0.000 0.780 468 L CB -1.082 40.986 42.059 0.015 0.000 0.893 468 L HN 0.537 nan 8.230 nan 0.000 0.438 469 E N -0.984 118.897 120.200 -0.531 0.000 2.472 469 E HA -0.234 4.116 4.350 -0.000 0.000 0.200 469 E C 1.550 177.820 176.600 -0.550 0.000 1.046 469 E CA 1.098 56.959 56.400 -0.898 0.000 0.871 469 E CB -0.234 28.901 29.700 -0.942 0.000 0.806 469 E HN 0.584 nan 8.360 nan 0.000 0.533 470 K N -0.575 119.606 120.400 -0.366 0.000 2.402 470 K HA 0.276 4.595 4.320 -0.000 0.000 0.203 470 K C 0.828 177.268 176.600 -0.266 0.000 1.077 470 K CA 0.610 56.713 56.287 -0.307 0.000 1.051 470 K CB 1.041 33.410 32.500 -0.218 0.000 0.907 470 K HN 0.132 nan 8.250 nan 0.000 0.554 471 A N 0.506 123.193 122.820 -0.222 0.000 2.551 471 A HA 0.131 4.451 4.320 -0.000 0.000 0.252 471 A C 0.199 177.685 177.584 -0.164 0.000 1.199 471 A CA -0.430 51.498 52.037 -0.180 0.000 0.972 471 A CB -0.118 18.828 19.000 -0.090 0.000 1.153 471 A HN 0.287 nan 8.150 nan 0.000 0.559 472 Y N 0.069 120.289 120.300 -0.134 0.000 2.652 472 Y HA 0.288 4.837 4.550 -0.001 0.000 0.344 472 Y C 1.150 177.020 175.900 -0.050 0.000 1.254 472 Y CA 0.168 58.236 58.100 -0.054 0.000 1.480 472 Y CB 0.284 38.740 38.460 -0.006 0.000 1.345 472 Y HN 0.091 nan 8.280 nan 0.000 0.617 473 S N -0.195 115.599 115.700 0.157 0.000 2.502 473 S HA 0.251 4.721 4.470 -0.000 0.000 0.215 473 S C -0.119 174.361 174.600 -0.199 0.000 1.009 473 S CA -0.054 58.108 58.200 -0.065 0.000 0.908 473 S CB -0.404 62.872 63.200 0.127 0.000 0.801 473 S HN 0.845 nan 8.310 nan 0.000 0.505 474 H N 0.974 120.192 119.070 0.246 0.000 3.016 474 H HA 0.460 5.016 4.556 -0.000 0.000 0.362 474 H C -1.233 174.415 175.328 0.534 0.000 1.233 474 H CA -0.997 55.254 56.048 0.338 0.000 1.124 474 H CB 1.613 31.535 29.762 0.268 0.000 1.850 474 H HN 0.371 nan 8.280 nan 0.000 0.549 475 Q N 1.095 121.287 119.800 0.654 0.000 2.387 475 Q HA 0.471 4.811 4.340 -0.000 0.000 0.273 475 Q C -1.102 175.049 176.000 0.252 0.000 1.089 475 Q CA -1.199 54.871 55.803 0.445 0.000 0.824 475 Q CB 2.754 31.677 28.738 0.309 0.000 1.367 475 Q HN 0.291 nan 8.270 nan 0.000 0.443 476 L N 2.037 123.083 121.223 -0.294 0.000 2.456 476 L HA 0.126 4.465 4.340 -0.000 0.000 0.272 476 L C 0.463 177.060 176.870 -0.455 0.000 1.189 476 L CA 0.770 55.057 54.840 -0.921 0.000 0.846 476 L CB 0.403 41.809 42.059 -1.087 0.000 1.111 476 L HN 1.000 nan 8.230 nan 0.000 0.475 477 N N 2.078 120.523 118.700 -0.425 0.000 2.380 477 N HA 0.001 4.741 4.740 -0.000 0.000 0.227 477 N C -1.032 174.456 175.510 -0.037 0.000 1.139 477 N CA -0.003 52.925 53.050 -0.203 0.000 0.843 477 N CB 0.843 39.219 38.487 -0.186 0.000 1.327 477 N HN 0.531 nan 8.380 nan 0.000 0.470 478 Y N 0.267 120.415 120.300 -0.254 0.000 2.592 478 Y HA 0.581 5.131 4.550 -0.000 0.000 0.334 478 Y C -1.628 174.306 175.900 0.057 0.000 1.136 478 Y CA -0.829 57.216 58.100 -0.092 0.000 1.042 478 Y CB 1.861 40.289 38.460 -0.054 0.000 1.325 478 Y HN 0.086 nan 8.280 nan 0.000 0.457 479 A N 3.191 126.019 122.820 0.014 0.000 2.422 479 A HA 0.744 5.064 4.320 -0.000 0.000 0.302 479 A C -1.569 176.008 177.584 -0.012 0.000 1.041 479 A CA -0.585 51.640 52.037 0.313 0.000 0.708 479 A CB 1.829 21.129 19.000 0.499 0.000 1.257 479 A HN 0.649 nan 8.150 nan 0.000 0.414 480 E N 1.455 121.654 120.200 -0.001 0.000 2.311 480 E HA 0.466 4.816 4.350 -0.000 0.000 0.281 480 E C -1.483 174.841 176.600 -0.460 0.000 0.905 480 E CA -0.539 55.596 56.400 -0.442 0.000 0.778 480 E CB 1.482 30.785 29.700 -0.662 0.000 1.240 480 E HN 0.738 nan 8.360 nan 0.000 0.410 481 C N 4.225 123.162 119.300 -0.606 0.000 2.401 481 C HA 0.583 5.042 4.460 -0.000 0.000 0.365 481 C C -0.501 174.051 174.990 -0.731 0.000 1.250 481 C CA -0.449 58.231 59.018 -0.564 0.000 2.131 481 C CB -0.714 26.686 27.740 -0.567 0.000 2.445 481 C HN 0.532 nan 8.230 nan 0.000 0.550 482 F N 1.809 121.482 119.950 -0.462 0.000 2.561 482 F HA 0.684 5.211 4.527 -0.001 0.000 0.321 482 F C 0.183 175.840 175.800 -0.240 0.000 1.065 482 F CA -0.735 57.020 58.000 -0.409 0.000 0.934 482 F CB 0.869 39.537 39.000 -0.554 0.000 1.215 482 F HN 0.244 nan 8.300 nan 0.000 0.471 483 L N 2.797 124.007 121.223 -0.022 0.000 2.344 483 L HA 0.560 4.899 4.340 -0.000 0.000 0.272 483 L C -0.290 176.580 176.870 0.001 0.000 1.035 483 L CA -0.776 54.057 54.840 -0.011 0.000 0.807 483 L CB 1.574 43.622 42.059 -0.019 0.000 1.237 483 L HN 0.541 nan 8.230 nan 0.000 0.442 484 M N 0.999 120.599 119.600 -0.000 0.000 2.359 484 M HA 0.319 4.799 4.480 -0.000 0.000 0.322 484 M C -0.166 176.145 176.300 0.018 0.000 1.166 484 M CA -0.451 54.843 55.300 -0.010 0.000 1.067 484 M CB 1.616 34.208 32.600 -0.014 0.000 1.523 484 M HN 0.573 nan 8.290 nan 0.000 0.467 485 Q N 0.188 120.022 119.800 0.055 0.000 2.407 485 Q HA 0.024 4.364 4.340 -0.000 0.000 0.214 485 Q C -0.047 175.974 176.000 0.035 0.000 1.043 485 Q CA -0.412 55.438 55.803 0.079 0.000 0.983 485 Q CB 0.303 29.127 28.738 0.143 0.000 1.211 485 Q HN 0.613 nan 8.270 nan 0.000 0.564 486 D N 0.591 120.994 120.400 0.006 0.000 2.733 486 D HA -0.228 4.411 4.640 -0.000 0.000 0.232 486 D C -0.767 175.447 176.300 -0.144 0.000 1.161 486 D CA 0.800 54.731 54.000 -0.114 0.000 0.653 486 D CB -0.564 40.059 40.800 -0.294 0.000 1.052 486 D HN 0.666 nan 8.370 nan 0.000 0.424 487 R N -1.395 119.072 120.500 -0.054 0.000 3.266 487 R HA -0.258 4.082 4.340 -0.000 0.000 0.245 487 R C 1.039 177.350 176.300 0.018 0.000 0.941 487 R CA 0.824 56.916 56.100 -0.014 0.000 0.638 487 R CB -0.658 29.637 30.300 -0.008 0.000 1.019 487 R HN 0.234 nan 8.270 nan 0.000 0.462 488 R N -0.028 120.453 120.500 -0.033 0.000 2.275 488 R HA 0.140 4.479 4.340 -0.000 0.000 0.199 488 R C 1.398 177.730 176.300 0.053 0.000 0.989 488 R CA 1.051 57.153 56.100 0.002 0.000 1.016 488 R CB 0.443 30.640 30.300 -0.172 0.000 0.918 488 R HN 0.632 nan 8.270 nan 0.000 0.473 489 G N -0.321 108.495 108.800 0.027 0.000 2.293 489 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.282 489 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.282 489 G C -1.183 173.779 174.900 0.104 0.000 1.299 489 G CA -0.322 44.783 45.100 0.008 0.000 1.018 489 G HN 0.164 nan 8.290 nan 0.000 0.478 490 T N -1.472 113.190 114.554 0.180 0.000 2.848 490 T HA 0.675 5.024 4.350 -0.000 0.000 0.285 490 T C -0.566 174.189 174.700 0.092 0.000 0.995 490 T CA -0.432 61.726 62.100 0.097 0.000 0.970 490 T CB 1.286 70.171 68.868 0.028 0.000 0.976 490 T HN 1.412 nan 8.240 nan 0.000 0.441 491 I N 2.724 123.280 120.570 -0.023 0.000 2.339 491 I HA 0.558 4.728 4.170 -0.000 0.000 0.290 491 I C -2.833 173.295 176.117 0.017 0.000 0.994 491 I CA -2.750 58.465 61.300 -0.142 0.000 1.191 491 I CB 0.969 38.782 38.000 -0.313 0.000 1.343 491 I HN 0.345 nan 8.210 nan 0.000 0.458 492 P HA 0.455 nan 4.420 nan 0.000 0.279 492 P C -1.167 176.320 177.300 0.312 0.000 1.252 492 P CA -0.262 62.813 63.100 -0.042 0.000 0.811 492 P CB 0.661 32.169 31.700 -0.320 0.000 1.035 493 F N 0.629 120.546 119.950 -0.054 0.000 2.540 493 F HA 0.512 5.039 4.527 -0.001 0.000 0.317 493 F C -0.101 175.810 175.800 0.185 0.000 1.104 493 F CA -0.926 57.130 58.000 0.092 0.000 0.913 493 F CB 0.810 39.985 39.000 0.293 0.000 1.170 493 F HN 0.182 nan 8.300 nan 0.000 0.450 494 F N 0.419 120.653 119.950 0.473 0.000 2.523 494 F HA 0.663 5.190 4.527 -0.000 0.000 0.329 494 F C 0.097 175.997 175.800 0.166 0.000 1.061 494 F CA -0.771 57.390 58.000 0.268 0.000 0.967 494 F CB 2.413 41.573 39.000 0.267 0.000 1.218 494 F HN 0.208 nan 8.300 nan 0.000 0.480 495 T N 0.885 115.471 114.554 0.052 0.000 2.881 495 T HA 0.338 4.688 4.350 -0.000 0.000 0.290 495 T C -1.507 172.998 174.700 -0.325 0.000 1.000 495 T CA -0.633 61.324 62.100 -0.239 0.000 0.978 495 T CB 0.903 69.573 68.868 -0.332 0.000 0.997 495 T HN 0.354 nan 8.240 nan 0.000 0.443 496 W N 1.633 122.880 121.300 -0.088 0.000 2.781 496 W HA 0.656 5.315 4.660 -0.001 0.000 0.345 496 W C 0.286 176.876 176.519 0.119 0.000 1.085 496 W CA -0.769 56.596 57.345 0.034 0.000 1.198 496 W CB 1.266 30.767 29.460 0.068 0.000 1.423 496 W HN 0.705 nan 8.180 nan 0.000 0.532 497 T N -2.432 112.379 114.554 0.429 0.000 2.907 497 T HA 0.352 4.702 4.350 -0.000 0.000 0.292 497 T C -0.698 174.266 174.700 0.440 0.000 1.043 497 T CA -0.750 61.602 62.100 0.419 0.000 1.003 497 T CB 1.593 70.681 68.868 0.367 0.000 1.084 497 T HN 0.522 nan 8.240 nan 0.000 0.483 498 H N 1.418 120.610 119.070 0.203 0.000 2.815 498 H HA 0.115 4.671 4.556 -0.000 0.000 0.350 498 H C 1.506 176.866 175.328 0.053 0.000 1.080 498 H CA 0.011 56.015 56.048 -0.073 0.000 1.433 498 H CB 1.046 30.742 29.762 -0.109 0.000 1.432 498 H HN 0.821 nan 8.280 nan 0.000 0.592 499 R N 1.385 121.641 120.500 -0.408 0.000 2.241 499 R HA -0.124 4.215 4.340 -0.000 0.000 0.224 499 R C 1.824 178.097 176.300 -0.044 0.000 1.101 499 R CA 1.320 57.332 56.100 -0.145 0.000 0.995 499 R CB -0.390 29.702 30.300 -0.348 0.000 0.870 499 R HN 0.453 nan 8.270 nan 0.000 0.463 500 S N 0.131 115.884 115.700 0.088 0.000 2.474 500 S HA 0.013 4.483 4.470 -0.000 0.000 0.235 500 S C 0.845 175.502 174.600 0.095 0.000 0.997 500 S CA 0.210 58.511 58.200 0.169 0.000 0.949 500 S CB -0.311 63.072 63.200 0.306 0.000 0.766 500 S HN 0.106 nan 8.310 nan 0.000 0.517 501 V N 3.522 123.490 119.914 0.091 0.000 2.493 501 V HA 0.120 4.240 4.120 -0.000 0.000 0.292 501 V C 0.277 176.423 176.094 0.086 0.000 1.016 501 V CA -0.059 62.234 62.300 -0.011 0.000 1.097 501 V CB 0.063 31.785 31.823 -0.168 0.000 0.947 501 V HN 0.370 nan 8.190 nan 0.000 0.479 502 D N 3.789 124.218 120.400 0.049 0.000 2.339 502 D HA 0.092 4.732 4.640 -0.000 0.000 0.241 502 D C 0.525 176.891 176.300 0.110 0.000 1.183 502 D CA -0.416 53.649 54.000 0.108 0.000 0.859 502 D CB 0.771 41.612 40.800 0.068 0.000 1.067 502 D HN 0.400 nan 8.370 nan 0.000 0.484 503 F N 3.932 123.852 119.950 -0.051 0.000 2.171 503 F HA -0.080 4.447 4.527 -0.000 0.000 0.300 503 F C 1.190 176.736 175.800 -0.423 0.000 1.090 503 F CA 1.268 59.076 58.000 -0.319 0.000 1.293 503 F CB -0.182 38.387 39.000 -0.718 0.000 1.013 503 F HN 0.370 nan 8.300 nan 0.000 0.486 504 F N 0.548 120.437 119.950 -0.100 0.000 2.811 504 F HA 0.060 4.587 4.527 -0.000 0.000 0.301 504 F C 0.776 176.476 175.800 -0.166 0.000 1.151 504 F CA 0.328 58.220 58.000 -0.180 0.000 1.412 504 F CB -0.716 38.260 39.000 -0.041 0.000 1.113 504 F HN -0.085 nan 8.300 nan 0.000 0.579 505 N N 0.455 119.145 118.700 -0.016 0.000 2.727 505 N HA -0.176 4.564 4.740 -0.000 0.000 0.249 505 N C -0.323 175.136 175.510 -0.085 0.000 1.048 505 N CA 1.029 54.054 53.050 -0.043 0.000 0.714 505 N CB -2.081 36.383 38.487 -0.039 0.000 0.959 505 N HN 0.090 nan 8.380 nan 0.000 0.544 506 T N 1.041 115.572 114.554 -0.039 0.000 2.902 506 T HA 0.148 4.498 4.350 -0.000 0.000 0.301 506 T C 1.046 175.629 174.700 -0.194 0.000 1.012 506 T CA -0.069 61.968 62.100 -0.105 0.000 1.151 506 T CB 0.915 69.759 68.868 -0.039 0.000 0.946 506 T HN 0.065 nan 8.240 nan 0.000 0.542 507 I N 3.250 123.623 120.570 -0.329 0.000 2.312 507 I HA 0.264 4.433 4.170 -0.000 0.000 0.290 507 I C 0.633 176.600 176.117 -0.250 0.000 1.008 507 I CA -0.855 60.190 61.300 -0.425 0.000 1.226 507 I CB 0.936 38.410 38.000 -0.876 0.000 1.371 507 I HN 0.658 nan 8.210 nan 0.000 0.468 508 D N 4.083 124.415 120.400 -0.114 0.000 2.382 508 D HA 0.327 4.967 4.640 -0.000 0.000 0.240 508 D C 0.965 177.313 176.300 0.080 0.000 1.146 508 D CA 0.143 54.132 54.000 -0.020 0.000 0.897 508 D CB 1.448 42.248 40.800 0.000 0.000 1.197 508 D HN 0.660 nan 8.370 nan 0.000 0.432 509 A N 2.389 125.258 122.820 0.081 0.000 2.132 509 A HA 0.001 4.321 4.320 -0.000 0.000 0.213 509 A C 1.496 179.134 177.584 0.090 0.000 1.154 509 A CA 0.587 52.704 52.037 0.133 0.000 0.753 509 A CB -0.006 19.038 19.000 0.073 0.000 0.826 509 A HN 0.565 nan 8.150 nan 0.000 0.469 510 E N 0.332 120.566 120.200 0.055 0.000 2.207 510 E HA 0.106 4.456 4.350 -0.000 0.000 0.197 510 E C 0.196 176.813 176.600 0.029 0.000 0.914 510 E CA 0.355 56.769 56.400 0.023 0.000 0.914 510 E CB -0.101 29.596 29.700 -0.005 0.000 0.893 510 E HN 0.489 nan 8.360 nan 0.000 0.479 511 K N 1.151 121.569 120.400 0.030 0.000 2.120 511 K HA 0.342 4.662 4.320 -0.000 0.000 0.245 511 K C 0.389 177.037 176.600 0.080 0.000 1.024 511 K CA -0.276 56.027 56.287 0.026 0.000 0.906 511 K CB 0.914 33.409 32.500 -0.007 0.000 1.051 511 K HN -0.075 nan 8.250 nan 0.000 0.491 512 I N 1.440 122.059 120.570 0.082 0.000 2.395 512 I HA 0.051 4.220 4.170 -0.000 0.000 0.289 512 I C -0.062 176.115 176.117 0.099 0.000 1.023 512 I CA 0.044 61.426 61.300 0.137 0.000 1.350 512 I CB 1.275 39.390 38.000 0.191 0.000 1.409 512 I HN 0.457 nan 8.210 nan 0.000 0.507 513 T N 6.205 120.847 114.554 0.147 0.000 2.779 513 T HA 0.304 4.654 4.350 -0.000 0.000 0.280 513 T C -0.368 174.411 174.700 0.133 0.000 0.987 513 T CA -0.668 61.498 62.100 0.110 0.000 0.966 513 T CB 1.114 70.047 68.868 0.108 0.000 0.933 513 T HN 0.466 nan 8.240 nan 0.000 0.442 514 Q N 2.128 121.955 119.800 0.045 0.000 2.278 514 Q HA 0.460 4.800 4.340 -0.000 0.000 0.257 514 Q C -1.067 174.951 176.000 0.030 0.000 0.928 514 Q CA -0.858 54.970 55.803 0.042 0.000 0.932 514 Q CB 1.880 30.631 28.738 0.021 0.000 1.221 514 Q HN 0.389 nan 8.270 nan 0.000 0.434 515 L N 5.831 127.070 121.223 0.026 0.000 2.301 515 L HA 0.456 4.795 4.340 -0.000 0.000 0.278 515 L C -2.645 174.214 176.870 -0.019 0.000 1.022 515 L CA -1.980 52.853 54.840 -0.012 0.000 0.854 515 L CB 1.174 43.207 42.059 -0.043 0.000 1.226 515 L HN 0.330 nan 8.230 nan 0.000 0.429 516 P HA -0.008 nan 4.420 nan 0.000 0.268 516 P C 0.885 178.291 177.300 0.176 0.000 1.204 516 P CA 0.044 63.186 63.100 0.070 0.000 0.768 516 P CB 1.029 32.752 31.700 0.039 0.000 0.842 517 V N 4.194 124.235 119.914 0.213 0.000 2.867 517 V HA -0.154 3.966 4.120 -0.000 0.000 0.260 517 V C 1.735 178.038 176.094 0.349 0.000 1.099 517 V CA 2.040 64.571 62.300 0.385 0.000 1.122 517 V CB -0.611 31.384 31.823 0.286 0.000 0.708 517 V HN 0.473 nan 8.190 nan 0.000 0.490 518 V N -2.921 117.134 119.914 0.236 0.000 3.510 518 V HA 0.102 4.222 4.120 -0.000 0.000 0.270 518 V C 1.932 178.167 176.094 0.235 0.000 1.201 518 V CA 0.854 63.270 62.300 0.192 0.000 1.166 518 V CB -0.755 31.171 31.823 0.170 0.000 0.825 518 V HN 0.348 nan 8.190 nan 0.000 0.484 519 K N 1.403 121.987 120.400 0.305 0.000 2.444 519 K HA 0.432 4.752 4.320 -0.000 0.000 0.193 519 K C 1.093 177.888 176.600 0.325 0.000 1.024 519 K CA 0.699 57.169 56.287 0.304 0.000 1.077 519 K CB 0.144 32.790 32.500 0.243 0.000 0.833 519 K HN 0.646 nan 8.250 nan 0.000 0.517 520 A N 1.082 123.944 122.820 0.070 0.000 2.448 520 A HA 0.092 4.411 4.320 -0.000 0.000 0.239 520 A C 0.775 178.258 177.584 -0.170 0.000 1.080 520 A CA 0.096 51.749 52.037 -0.639 0.000 0.779 520 A CB -0.047 18.178 19.000 -1.291 0.000 1.026 520 A HN 0.412 nan 8.150 nan 0.000 0.499 521 Y N -1.472 118.730 120.300 -0.165 0.000 2.444 521 Y HA 0.644 5.193 4.550 -0.000 0.000 0.249 521 Y C 0.384 176.256 175.900 -0.046 0.000 1.134 521 Y CA -0.304 57.772 58.100 -0.039 0.000 1.261 521 Y CB -0.325 38.134 38.460 -0.001 0.000 1.143 521 Y HN 0.766 nan 8.280 nan 0.000 0.523 522 A N 0.900 123.503 122.820 -0.362 0.000 2.587 522 A HA 0.777 5.096 4.320 -0.000 0.000 0.293 522 A C -1.797 175.643 177.584 -0.240 0.000 1.087 522 A CA -0.773 51.146 52.037 -0.196 0.000 0.692 522 A CB 1.456 20.344 19.000 -0.185 0.000 1.291 522 A HN 0.245 nan 8.150 nan 0.000 0.407 523 L N 0.737 121.891 121.223 -0.114 0.000 2.376 523 L HA 0.658 4.998 4.340 -0.000 0.000 0.258 523 L C 0.415 177.257 176.870 -0.047 0.000 1.013 523 L CA -0.734 54.051 54.840 -0.091 0.000 0.822 523 L CB 2.520 44.556 42.059 -0.040 0.000 1.388 523 L HN 0.963 nan 8.230 nan 0.000 0.413 524 S N -0.577 115.102 115.700 -0.034 0.000 2.687 524 S HA 0.265 4.735 4.470 -0.000 0.000 0.283 524 S C 0.931 175.530 174.600 -0.001 0.000 1.170 524 S CA -0.259 57.933 58.200 -0.014 0.000 1.008 524 S CB 1.770 64.965 63.200 -0.009 0.000 1.026 524 S HN 0.597 nan 8.310 nan 0.000 0.541 525 S N 1.884 117.586 115.700 0.004 0.000 2.407 525 S HA -0.055 4.415 4.470 -0.000 0.000 0.235 525 S C 1.703 176.306 174.600 0.006 0.000 1.036 525 S CA 1.484 59.689 58.200 0.008 0.000 1.013 525 S CB -0.885 62.318 63.200 0.005 0.000 0.820 525 S HN 1.008 nan 8.310 nan 0.000 0.476 526 G N 0.122 108.920 108.800 -0.003 0.000 3.088 526 G HA2 0.509 4.469 3.960 -0.000 0.000 0.212 526 G HA3 0.509 4.469 3.960 -0.000 0.000 0.212 526 G C 0.046 174.934 174.900 -0.019 0.000 1.173 526 G CA 0.344 45.436 45.100 -0.013 0.000 0.779 526 G HN 0.616 nan 8.290 nan 0.000 0.540 527 A N 0.326 123.144 122.820 -0.002 0.000 2.365 527 A HA 0.797 5.117 4.320 -0.000 0.000 0.318 527 A C -0.129 177.486 177.584 0.051 0.000 1.091 527 A CA -0.297 51.743 52.037 0.004 0.000 0.763 527 A CB 1.561 20.561 19.000 -0.000 0.000 1.248 527 A HN 0.724 nan 8.150 nan 0.000 0.442 528 S N 1.667 117.429 115.700 0.104 0.000 2.548 528 S HA 0.721 5.191 4.470 -0.000 0.000 0.286 528 S C -0.666 174.035 174.600 0.167 0.000 1.098 528 S CA -0.714 57.571 58.200 0.141 0.000 0.930 528 S CB 1.072 64.381 63.200 0.181 0.000 1.070 528 S HN 0.508 nan 8.310 nan 0.000 0.480 529 I N 2.710 123.359 120.570 0.132 0.000 2.371 529 I HA 0.423 4.592 4.170 -0.000 0.000 0.290 529 I C 0.058 176.247 176.117 0.120 0.000 1.028 529 I CA -0.552 60.821 61.300 0.121 0.000 1.345 529 I CB 0.443 38.493 38.000 0.084 0.000 1.407 529 I HN 0.741 nan 8.210 nan 0.000 0.501 530 I N 4.427 125.073 120.570 0.127 0.000 2.846 530 I HA 0.245 4.415 4.170 -0.000 0.000 0.307 530 I C 0.587 176.739 176.117 0.058 0.000 1.053 530 I CA -0.926 60.432 61.300 0.097 0.000 1.050 530 I CB 2.432 40.502 38.000 0.117 0.000 1.239 530 I HN 0.527 nan 8.210 nan 0.000 0.439 531 E N 2.146 122.367 120.200 0.035 0.000 2.415 531 E HA 0.151 4.501 4.350 -0.000 0.000 0.263 531 E C -0.036 176.555 176.600 -0.015 0.000 0.995 531 E CA -0.173 56.238 56.400 0.018 0.000 0.915 531 E CB 0.948 30.667 29.700 0.033 0.000 0.951 531 E HN 0.754 nan 8.360 nan 0.000 0.449 532 G N 4.232 113.006 108.800 -0.043 0.000 2.569 532 G HA2 0.066 4.026 3.960 -0.000 0.000 0.249 532 G HA3 0.066 4.026 3.960 -0.000 0.000 0.249 532 G C -1.209 173.590 174.900 -0.169 0.000 1.216 532 G CA -0.869 44.162 45.100 -0.115 0.000 0.845 532 G HN 0.524 nan 8.290 nan 0.000 0.568 533 P HA -0.021 nan 4.420 nan 0.000 0.218 533 P C 1.195 178.312 177.300 -0.305 0.000 1.149 533 P CA 1.959 64.874 63.100 -0.308 0.000 0.817 533 P CB 0.357 31.758 31.700 -0.498 0.000 0.785 534 G N -0.635 107.891 108.800 -0.457 0.000 2.797 534 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.195 534 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.195 534 G C 0.443 175.163 174.900 -0.301 0.000 1.026 534 G CA 0.087 45.017 45.100 -0.283 0.000 0.759 534 G HN 0.341 nan 8.290 nan 0.000 0.475 535 F N 2.202 122.069 119.950 -0.138 0.000 2.639 535 F HA 0.475 5.001 4.527 -0.001 0.000 0.300 535 F C 1.667 177.341 175.800 -0.210 0.000 1.109 535 F CA 0.687 58.587 58.000 -0.167 0.000 1.335 535 F CB -0.115 38.826 39.000 -0.099 0.000 1.014 535 F HN 0.138 nan 8.300 nan 0.000 0.537 536 T N -4.138 110.145 114.554 -0.452 0.000 3.054 536 T HA 0.442 4.792 4.350 -0.000 0.000 0.255 536 T C 1.680 176.270 174.700 -0.183 0.000 1.035 536 T CA 0.379 62.291 62.100 -0.314 0.000 0.941 536 T CB 0.044 68.657 68.868 -0.426 0.000 1.026 536 T HN 0.697 nan 8.240 nan 0.000 0.533 537 G N 0.063 108.760 108.800 -0.172 0.000 2.162 537 G HA2 0.169 4.129 3.960 -0.000 0.000 0.260 537 G HA3 0.169 4.129 3.960 -0.000 0.000 0.260 537 G C 0.523 175.376 174.900 -0.079 0.000 0.976 537 G CA -0.113 44.915 45.100 -0.121 0.000 0.655 537 G HN 1.468 nan 8.290 nan 0.000 0.533 538 G N -1.084 107.666 108.800 -0.084 0.000 2.364 538 G HA2 0.504 4.464 3.960 -0.000 0.000 0.286 538 G HA3 0.504 4.464 3.960 -0.000 0.000 0.286 538 G C -0.988 173.886 174.900 -0.045 0.000 1.241 538 G CA 0.011 45.092 45.100 -0.032 0.000 0.887 538 G HN 0.414 nan 8.290 nan 0.000 0.484 539 N N -0.604 118.091 118.700 -0.008 0.000 2.478 539 N HA 0.745 5.485 4.740 -0.000 0.000 0.275 539 N C -0.440 175.095 175.510 0.042 0.000 1.221 539 N CA -0.329 52.721 53.050 0.001 0.000 0.979 539 N CB 1.375 39.862 38.487 -0.000 0.000 1.202 539 N HN 0.417 nan 8.380 nan 0.000 0.564 540 L N 0.322 121.595 121.223 0.084 0.000 2.286 540 L HA 0.559 4.899 4.340 -0.000 0.000 0.265 540 L C -0.400 176.591 176.870 0.202 0.000 1.012 540 L CA -0.983 53.955 54.840 0.164 0.000 0.818 540 L CB 1.914 44.111 42.059 0.230 0.000 1.337 540 L HN 0.217 nan 8.230 nan 0.000 0.438 541 L N 0.930 122.294 121.223 0.236 0.000 2.296 541 L HA 0.486 4.825 4.340 -0.000 0.000 0.286 541 L C -1.286 175.755 176.870 0.285 0.000 1.023 541 L CA -0.385 54.584 54.840 0.216 0.000 0.812 541 L CB 1.352 43.503 42.059 0.154 0.000 1.223 541 L HN 0.366 nan 8.230 nan 0.000 0.421 542 F N 5.919 125.914 119.950 0.076 0.000 2.420 542 F HA 0.470 4.997 4.527 -0.000 0.000 0.342 542 F C -0.904 174.868 175.800 -0.047 0.000 1.113 542 F CA -0.934 57.052 58.000 -0.022 0.000 1.059 542 F CB 1.605 40.619 39.000 0.024 0.000 1.128 542 F HN 0.356 nan 8.300 nan 0.000 0.475 543 L N 7.561 128.384 121.223 -0.665 0.000 2.262 543 L HA 0.390 4.730 4.340 -0.000 0.000 0.288 543 L C 0.151 176.674 176.870 -0.579 0.000 1.035 543 L CA 0.104 54.653 54.840 -0.485 0.000 0.820 543 L CB 0.919 42.753 42.059 -0.374 0.000 1.204 543 L HN 0.783 nan 8.230 nan 0.000 0.424 544 K N 2.515 122.738 120.400 -0.295 0.000 2.240 544 K HA 0.275 4.594 4.320 -0.000 0.000 0.202 544 K C -0.243 176.344 176.600 -0.021 0.000 1.053 544 K CA 0.326 56.519 56.287 -0.157 0.000 0.973 544 K CB 0.489 32.910 32.500 -0.132 0.000 0.924 544 K HN 0.491 nan 8.250 nan 0.000 0.477 545 E N 1.380 121.563 120.200 -0.029 0.000 2.218 545 E HA 0.178 4.527 4.350 -0.000 0.000 0.263 545 E C -1.486 175.125 176.600 0.018 0.000 0.879 545 E CA -0.321 56.024 56.400 -0.092 0.000 0.762 545 E CB 2.196 31.843 29.700 -0.089 0.000 1.166 545 E HN -0.039 nan 8.360 nan 0.000 0.415 546 S N 2.267 118.000 115.700 0.055 0.000 2.549 546 S HA 0.336 4.806 4.470 -0.000 0.000 0.279 546 S C -0.164 174.473 174.600 0.061 0.000 1.321 546 S CA -0.075 58.209 58.200 0.140 0.000 1.054 546 S CB 0.470 63.810 63.200 0.234 0.000 0.899 546 S HN 0.555 nan 8.310 nan 0.000 0.497 547 S N 3.105 118.850 115.700 0.075 0.000 2.705 547 S HA 0.388 4.857 4.470 -0.000 0.000 0.280 547 S C 0.429 175.097 174.600 0.113 0.000 1.174 547 S CA -0.711 57.531 58.200 0.070 0.000 0.823 547 S CB 0.974 64.197 63.200 0.039 0.000 1.162 547 S HN 0.792 nan 8.310 nan 0.000 0.487 548 N N -0.275 118.490 118.700 0.108 0.000 2.424 548 N HA 0.046 4.786 4.740 -0.000 0.000 0.178 548 N C -0.189 175.388 175.510 0.112 0.000 1.060 548 N CA 0.270 53.407 53.050 0.146 0.000 0.901 548 N CB 0.267 38.821 38.487 0.111 0.000 0.979 548 N HN 0.467 nan 8.380 nan 0.000 0.451 549 S N 0.765 116.505 115.700 0.067 0.000 2.139 549 S HA 0.345 4.815 4.470 -0.000 0.000 0.183 549 S C 1.015 175.619 174.600 0.006 0.000 1.473 549 S CA -0.543 57.679 58.200 0.036 0.000 1.263 549 S CB 0.336 63.551 63.200 0.024 0.000 1.170 549 S HN 0.224 nan 8.310 nan 0.000 0.430 550 I N 1.597 122.177 120.570 0.015 0.000 2.163 550 I HA -0.135 4.035 4.170 -0.000 0.000 0.243 550 I C 1.147 177.232 176.117 -0.054 0.000 1.085 550 I CA 1.051 62.347 61.300 -0.006 0.000 1.347 550 I CB 0.123 38.127 38.000 0.007 0.000 1.044 550 I HN 0.512 nan 8.210 nan 0.000 0.408 551 A N 0.016 122.789 122.820 -0.079 0.000 2.574 551 A HA 0.645 4.964 4.320 -0.000 0.000 0.297 551 A C -0.991 176.410 177.584 -0.306 0.000 1.062 551 A CA -0.708 51.186 52.037 -0.238 0.000 0.686 551 A CB 1.281 20.113 19.000 -0.280 0.000 1.285 551 A HN 0.003 nan 8.150 nan 0.000 0.403 552 K N 0.632 120.685 120.400 -0.580 0.000 2.316 552 K HA 0.771 5.091 4.320 -0.000 0.000 0.251 552 K C -1.713 174.350 176.600 -0.895 0.000 0.934 552 K CA -0.236 55.713 56.287 -0.564 0.000 0.802 552 K CB 1.893 34.040 32.500 -0.589 0.000 1.171 552 K HN 0.518 nan 8.250 nan 0.000 0.426 553 F N 0.808 120.642 119.950 -0.194 0.000 2.613 553 F HA 0.449 4.975 4.527 -0.001 0.000 0.314 553 F C -0.264 175.681 175.800 0.242 0.000 1.075 553 F CA -0.956 57.057 58.000 0.023 0.000 0.945 553 F CB 2.039 41.074 39.000 0.058 0.000 1.310 553 F HN 0.262 nan 8.300 nan 0.000 0.467 554 K N 1.876 122.569 120.400 0.488 0.000 2.345 554 K HA 0.806 5.125 4.320 -0.000 0.000 0.255 554 K C -1.712 174.965 176.600 0.128 0.000 0.934 554 K CA -0.671 55.783 56.287 0.277 0.000 0.801 554 K CB 1.921 34.525 32.500 0.173 0.000 1.137 554 K HN 0.573 nan 8.250 nan 0.000 0.424 555 V N -0.461 119.457 119.914 0.006 0.000 3.046 555 V HA 0.659 4.778 4.120 -0.000 0.000 0.316 555 V C -0.692 175.297 176.094 -0.175 0.000 1.104 555 V CA -0.711 61.504 62.300 -0.142 0.000 1.006 555 V CB 1.798 33.406 31.823 -0.358 0.000 1.058 555 V HN 0.762 nan 8.190 nan 0.000 0.440 556 T N 3.547 117.986 114.554 -0.191 0.000 2.779 556 T HA 0.796 5.146 4.350 -0.000 0.000 0.280 556 T C -0.751 173.797 174.700 -0.254 0.000 0.987 556 T CA -0.134 61.869 62.100 -0.162 0.000 0.966 556 T CB 1.078 69.914 68.868 -0.053 0.000 0.933 556 T HN 0.575 nan 8.240 nan 0.000 0.442 557 L N 3.749 124.830 121.223 -0.237 0.000 2.370 557 L HA 0.547 4.886 4.340 -0.000 0.000 0.266 557 L C 0.256 177.050 176.870 -0.126 0.000 1.002 557 L CA -0.772 53.931 54.840 -0.228 0.000 0.818 557 L CB 2.028 43.925 42.059 -0.269 0.000 1.325 557 L HN 0.750 nan 8.230 nan 0.000 0.418 558 N N -0.839 117.808 118.700 -0.089 0.000 2.502 558 N HA 0.406 5.145 4.740 -0.000 0.000 0.280 558 N C 0.418 175.914 175.510 -0.023 0.000 1.223 558 N CA -0.708 52.307 53.050 -0.058 0.000 0.966 558 N CB 0.837 39.291 38.487 -0.055 0.000 1.203 558 N HN 0.388 nan 8.380 nan 0.000 0.565 559 S N -0.515 115.175 115.700 -0.015 0.000 2.365 559 S HA -0.256 4.214 4.470 -0.000 0.000 0.225 559 S C 1.947 176.557 174.600 0.017 0.000 1.039 559 S CA 1.543 59.744 58.200 0.002 0.000 1.033 559 S CB -0.896 62.303 63.200 -0.002 0.000 0.887 559 S HN 0.694 nan 8.310 nan 0.000 0.447 560 A N 1.304 124.131 122.820 0.012 0.000 1.902 560 A HA 0.109 4.428 4.320 -0.000 0.000 0.217 560 A C 2.311 179.925 177.584 0.050 0.000 1.181 560 A CA 1.716 53.766 52.037 0.021 0.000 0.623 560 A CB -0.971 18.037 19.000 0.012 0.000 0.818 560 A HN 0.540 nan 8.150 nan 0.000 0.443 561 A N -0.786 122.071 122.820 0.061 0.000 2.066 561 A HA 0.139 4.459 4.320 -0.000 0.000 0.218 561 A C 2.049 179.748 177.584 0.192 0.000 1.157 561 A CA 1.116 53.238 52.037 0.141 0.000 0.670 561 A CB -0.422 18.609 19.000 0.051 0.000 0.804 561 A HN 0.465 nan 8.150 nan 0.000 0.453 562 L N -1.087 120.203 121.223 0.112 0.000 2.240 562 L HA 0.023 4.363 4.340 -0.000 0.000 0.211 562 L C 2.023 178.971 176.870 0.129 0.000 1.106 562 L CA 0.525 55.446 54.840 0.134 0.000 0.793 562 L CB -0.184 41.921 42.059 0.078 0.000 0.927 562 L HN 0.335 nan 8.230 nan 0.000 0.446 563 L N -0.743 120.528 121.223 0.081 0.000 2.610 563 L HA -0.038 4.301 4.340 -0.000 0.000 0.232 563 L C 0.856 177.741 176.870 0.024 0.000 1.149 563 L CA 0.014 54.882 54.840 0.047 0.000 0.872 563 L CB 0.008 42.081 42.059 0.023 0.000 0.992 563 L HN 0.239 nan 8.230 nan 0.000 0.447 564 Q N -0.052 119.769 119.800 0.034 0.000 2.193 564 Q HA 0.404 4.744 4.340 -0.000 0.000 0.246 564 Q C -0.543 175.361 176.000 -0.161 0.000 0.959 564 Q CA -0.295 55.435 55.803 -0.122 0.000 0.904 564 Q CB 1.190 29.787 28.738 -0.236 0.000 1.238 564 Q HN 0.017 nan 8.270 nan 0.000 0.469 565 R N 1.141 121.442 120.500 -0.331 0.000 2.778 565 R HA 0.511 4.851 4.340 -0.000 0.000 0.277 565 R C -1.179 174.843 176.300 -0.464 0.000 0.977 565 R CA -0.704 55.279 56.100 -0.196 0.000 0.950 565 R CB 1.381 31.639 30.300 -0.071 0.000 1.165 565 R HN 0.610 nan 8.270 nan 0.000 0.474 566 Y N 0.034 120.420 120.300 0.144 0.000 2.477 566 Y HA 0.408 4.957 4.550 -0.000 0.000 0.347 566 Y C 0.151 176.141 175.900 0.149 0.000 0.981 566 Y CA -0.873 57.346 58.100 0.199 0.000 1.033 566 Y CB 1.779 40.476 38.460 0.394 0.000 1.245 566 Y HN 0.280 nan 8.280 nan 0.000 0.455 567 R N 1.551 122.193 120.500 0.238 0.000 2.428 567 R HA 0.754 5.093 4.340 -0.000 0.000 0.294 567 R C -1.617 174.749 176.300 0.110 0.000 1.000 567 R CA -0.583 55.593 56.100 0.127 0.000 0.960 567 R CB 1.066 31.406 30.300 0.066 0.000 1.076 567 R HN 0.591 nan 8.270 nan 0.000 0.475 568 V N 4.891 124.815 119.914 0.017 0.000 2.459 568 V HA 0.482 4.602 4.120 -0.000 0.000 0.295 568 V C 0.020 176.045 176.094 -0.115 0.000 1.029 568 V CA -0.587 61.633 62.300 -0.135 0.000 0.874 568 V CB 1.644 33.379 31.823 -0.147 0.000 0.985 568 V HN 0.761 nan 8.190 nan 0.000 0.438 569 R N 3.728 124.137 120.500 -0.152 0.000 2.740 569 R HA 0.737 5.076 4.340 -0.000 0.000 0.282 569 R C -1.458 174.796 176.300 -0.076 0.000 0.969 569 R CA -0.794 55.261 56.100 -0.075 0.000 0.918 569 R CB 2.357 32.628 30.300 -0.047 0.000 1.175 569 R HN 0.589 nan 8.270 nan 0.000 0.464 570 I N 2.180 122.753 120.570 0.004 0.000 2.447 570 I HA 0.326 4.496 4.170 -0.000 0.000 0.287 570 I C -0.361 175.889 176.117 0.221 0.000 1.023 570 I CA -0.656 60.676 61.300 0.054 0.000 1.083 570 I CB 2.031 40.027 38.000 -0.007 0.000 1.245 570 I HN 0.339 nan 8.210 nan 0.000 0.434 571 R N 7.044 127.666 120.500 0.202 0.000 2.216 571 R HA 0.472 4.812 4.340 -0.000 0.000 0.332 571 R C -1.445 175.068 176.300 0.355 0.000 1.056 571 R CA -0.078 56.167 56.100 0.241 0.000 0.901 571 R CB 0.470 30.873 30.300 0.171 0.000 1.039 571 R HN 0.601 nan 8.270 nan 0.000 0.456 572 Y N 1.000 121.421 120.300 0.202 0.000 2.728 572 Y HA 0.841 5.390 4.550 -0.000 0.000 0.330 572 Y C -1.749 174.108 175.900 -0.073 0.000 1.234 572 Y CA -1.359 56.819 58.100 0.129 0.000 1.070 572 Y CB 1.193 39.663 38.460 0.016 0.000 1.300 572 Y HN 0.517 nan 8.280 nan 0.000 0.467 573 A N 1.296 123.912 122.820 -0.340 0.000 2.437 573 A HA 0.726 5.046 4.320 -0.000 0.000 0.293 573 A C -1.216 176.376 177.584 0.014 0.000 1.038 573 A CA -0.019 51.692 52.037 -0.543 0.000 0.708 573 A CB 1.403 19.720 19.000 -1.138 0.000 1.251 573 A HN 1.294 nan 8.150 nan 0.000 0.409 574 S N 0.433 116.170 115.700 0.062 0.000 2.550 574 S HA 0.616 5.086 4.470 -0.000 0.000 0.270 574 S C 0.584 175.212 174.600 0.047 0.000 1.145 574 S CA 0.396 58.652 58.200 0.093 0.000 0.852 574 S CB 1.382 64.672 63.200 0.150 0.000 1.119 574 S HN 1.598 nan 8.310 nan 0.000 0.465 575 T N -0.122 114.438 114.554 0.009 0.000 3.107 575 T HA 0.343 4.693 4.350 -0.000 0.000 0.249 575 T C 0.581 175.285 174.700 0.008 0.000 1.096 575 T CA 0.619 62.730 62.100 0.019 0.000 1.012 575 T CB -0.619 68.270 68.868 0.034 0.000 0.977 575 T HN 0.896 nan 8.240 nan 0.000 0.527 576 T N -0.199 114.346 114.554 -0.016 0.000 2.843 576 T HA 0.586 4.935 4.350 -0.000 0.000 0.302 576 T C -1.216 173.471 174.700 -0.023 0.000 1.232 576 T CA -1.126 60.966 62.100 -0.013 0.000 1.009 576 T CB 1.215 70.071 68.868 -0.020 0.000 1.254 576 T HN -0.011 nan 8.240 nan 0.000 0.504 577 N N 0.037 118.734 118.700 -0.005 0.000 2.513 577 N HA 0.820 5.560 4.740 -0.000 0.000 0.274 577 N C -0.759 174.726 175.510 -0.042 0.000 1.189 577 N CA -0.562 52.483 53.050 -0.008 0.000 0.975 577 N CB 0.780 39.284 38.487 0.029 0.000 1.157 577 N HN 0.777 nan 8.380 nan 0.000 0.465 578 L N -0.642 120.531 121.223 -0.083 0.000 2.940 578 L HA 0.439 4.778 4.340 -0.000 0.000 0.270 578 L C -1.443 175.293 176.870 -0.222 0.000 1.030 578 L CA -0.609 54.151 54.840 -0.133 0.000 0.928 578 L CB 1.511 43.444 42.059 -0.210 0.000 1.506 578 L HN 0.478 nan 8.230 nan 0.000 0.405 579 R N 1.876 122.181 120.500 -0.325 0.000 2.532 579 R HA 0.816 5.156 4.340 -0.000 0.000 0.295 579 R C -1.374 174.445 176.300 -0.802 0.000 0.968 579 R CA -0.733 55.015 56.100 -0.586 0.000 0.916 579 R CB 1.534 31.488 30.300 -0.575 0.000 1.124 579 R HN 0.499 nan 8.270 nan 0.000 0.463 580 L N 2.597 123.317 121.223 -0.839 0.000 2.323 580 L HA 0.645 4.985 4.340 -0.000 0.000 0.265 580 L C -0.887 175.417 176.870 -0.943 0.000 1.012 580 L CA -0.892 53.449 54.840 -0.831 0.000 0.820 580 L CB 1.447 43.225 42.059 -0.468 0.000 1.334 580 L HN 0.490 nan 8.230 nan 0.000 0.427 581 F N 0.123 119.938 119.950 -0.225 0.000 2.565 581 F HA 0.644 5.171 4.527 -0.000 0.000 0.313 581 F C -0.388 175.199 175.800 -0.354 0.000 1.091 581 F CA -1.072 56.699 58.000 -0.381 0.000 0.915 581 F CB 2.185 40.931 39.000 -0.425 0.000 1.208 581 F HN -0.080 nan 8.300 nan 0.000 0.453 582 V N 2.351 122.113 119.914 -0.254 0.000 2.588 582 V HA 0.504 4.624 4.120 -0.000 0.000 0.304 582 V C -0.781 175.172 176.094 -0.235 0.000 1.042 582 V CA -0.714 61.491 62.300 -0.160 0.000 0.877 582 V CB 1.826 33.592 31.823 -0.096 0.000 0.996 582 V HN 0.783 nan 8.190 nan 0.000 0.425 583 Q N 3.422 123.162 119.800 -0.099 0.000 2.423 583 Q HA 0.610 4.950 4.340 -0.000 0.000 0.278 583 Q C -0.987 175.043 176.000 0.050 0.000 1.097 583 Q CA -0.887 54.896 55.803 -0.034 0.000 0.809 583 Q CB 2.913 31.675 28.738 0.041 0.000 1.391 583 Q HN 0.880 nan 8.270 nan 0.000 0.428 584 N N -1.392 117.334 118.700 0.043 0.000 2.629 584 N HA 0.202 4.941 4.740 -0.000 0.000 0.279 584 N C -0.139 175.415 175.510 0.073 0.000 1.344 584 N CA -0.830 52.261 53.050 0.068 0.000 0.789 584 N CB 1.012 39.464 38.487 -0.059 0.000 1.508 584 N HN 0.495 nan 8.380 nan 0.000 0.516 585 S N -1.671 114.092 115.700 0.105 0.000 2.607 585 S HA -0.040 4.430 4.470 -0.000 0.000 0.224 585 S C 0.710 175.347 174.600 0.063 0.000 0.969 585 S CA 0.023 58.278 58.200 0.093 0.000 0.927 585 S CB -0.851 62.416 63.200 0.111 0.000 0.772 585 S HN 0.740 nan 8.310 nan 0.000 0.533 586 N N 1.741 120.457 118.700 0.028 0.000 2.322 586 N HA 0.020 4.760 4.740 -0.000 0.000 0.194 586 N C -0.474 175.037 175.510 0.002 0.000 1.126 586 N CA 0.019 53.070 53.050 0.001 0.000 0.845 586 N CB -0.136 38.312 38.487 -0.064 0.000 0.976 586 N HN 0.217 nan 8.380 nan 0.000 0.475 587 N N 1.470 120.185 118.700 0.026 0.000 2.782 587 N HA -0.149 4.591 4.740 -0.000 0.000 0.251 587 N C -1.310 174.236 175.510 0.060 0.000 1.101 587 N CA 0.945 54.023 53.050 0.048 0.000 0.764 587 N CB -1.200 37.309 38.487 0.036 0.000 1.122 587 N HN 0.461 nan 8.380 nan 0.000 0.561 588 D N -0.001 120.417 120.400 0.029 0.000 2.304 588 D HA 0.390 5.030 4.640 -0.000 0.000 0.247 588 D C -0.156 176.214 176.300 0.117 0.000 1.089 588 D CA 0.230 54.253 54.000 0.039 0.000 0.910 588 D CB 0.709 41.479 40.800 -0.049 0.000 1.199 588 D HN 0.093 nan 8.370 nan 0.000 0.426 589 F N 2.004 121.950 119.950 -0.007 0.000 2.617 589 F HA 0.357 4.884 4.527 -0.000 0.000 0.325 589 F C -1.521 174.296 175.800 0.029 0.000 1.179 589 F CA -0.681 57.324 58.000 0.009 0.000 0.965 589 F CB 0.794 39.782 39.000 -0.019 0.000 1.232 589 F HN 0.103 nan 8.300 nan 0.000 0.461 590 L N 6.622 127.715 121.223 -0.216 0.000 2.346 590 L HA 0.736 5.075 4.340 -0.000 0.000 0.274 590 L C -1.024 175.786 176.870 -0.100 0.000 1.007 590 L CA -1.394 53.410 54.840 -0.060 0.000 0.818 590 L CB 1.934 43.963 42.059 -0.050 0.000 1.284 590 L HN 0.261 nan 8.230 nan 0.000 0.424 591 V N 3.940 123.879 119.914 0.041 0.000 2.417 591 V HA 0.459 4.579 4.120 -0.000 0.000 0.291 591 V C -0.017 176.000 176.094 -0.129 0.000 1.024 591 V CA -0.284 62.023 62.300 0.012 0.000 0.861 591 V CB 2.062 33.948 31.823 0.104 0.000 0.985 591 V HN 0.493 nan 8.190 nan 0.000 0.436 592 I N 5.345 125.745 120.570 -0.284 0.000 2.410 592 I HA 0.380 4.549 4.170 -0.000 0.000 0.286 592 I C -1.178 174.724 176.117 -0.358 0.000 1.009 592 I CA -0.597 60.564 61.300 -0.230 0.000 1.111 592 I CB 1.549 39.429 38.000 -0.201 0.000 1.262 592 I HN 0.523 nan 8.210 nan 0.000 0.443 593 Y N 6.789 127.004 120.300 -0.140 0.000 2.383 593 Y HA 0.393 4.943 4.550 -0.001 0.000 0.344 593 Y C 0.639 176.418 175.900 -0.202 0.000 0.986 593 Y CA -0.663 57.347 58.100 -0.150 0.000 1.175 593 Y CB 0.653 39.067 38.460 -0.076 0.000 1.152 593 Y HN 0.427 nan 8.280 nan 0.000 0.511 594 I N 0.347 120.794 120.570 -0.206 0.000 2.566 594 I HA 0.631 4.800 4.170 -0.000 0.000 0.303 594 I C -0.814 175.223 176.117 -0.133 0.000 0.983 594 I CA -0.761 60.300 61.300 -0.399 0.000 1.235 594 I CB 1.728 39.144 38.000 -0.973 0.000 1.386 594 I HN 0.434 nan 8.210 nan 0.000 0.494 595 N N 2.629 121.353 118.700 0.041 0.000 2.402 595 N HA 0.332 5.072 4.740 -0.000 0.000 0.294 595 N C -1.200 174.416 175.510 0.177 0.000 1.203 595 N CA -1.033 52.083 53.050 0.109 0.000 0.838 595 N CB 1.355 39.908 38.487 0.110 0.000 1.306 595 N HN 0.587 nan 8.380 nan 0.000 0.510 596 K N 0.265 120.721 120.400 0.093 0.000 2.416 596 K HA 0.041 4.361 4.320 -0.000 0.000 0.283 596 K C 0.104 176.737 176.600 0.055 0.000 1.037 596 K CA 0.358 56.687 56.287 0.070 0.000 0.995 596 K CB 0.231 32.754 32.500 0.038 0.000 0.938 596 K HN 0.807 nan 8.250 nan 0.000 0.475 597 T N 1.058 115.625 114.554 0.022 0.000 2.985 597 T HA 0.161 4.511 4.350 -0.000 0.000 0.254 597 T C 0.598 175.268 174.700 -0.050 0.000 1.021 597 T CA -0.368 61.703 62.100 -0.048 0.000 0.957 597 T CB -0.090 68.674 68.868 -0.174 0.000 1.047 597 T HN 0.685 nan 8.240 nan 0.000 0.511 598 M N -0.230 119.355 119.600 -0.024 0.000 2.721 598 M HA 0.678 5.158 4.480 -0.000 0.000 0.271 598 M C -2.186 174.121 176.300 0.012 0.000 1.259 598 M CA -1.082 54.210 55.300 -0.013 0.000 0.835 598 M CB 1.463 34.047 32.600 -0.026 0.000 1.689 598 M HN -0.332 nan 8.290 nan 0.000 0.470 599 N N 0.924 119.635 118.700 0.017 0.000 2.482 599 N HA 0.404 5.144 4.740 -0.000 0.000 0.279 599 N C 0.100 175.635 175.510 0.041 0.000 1.182 599 N CA -0.667 52.399 53.050 0.027 0.000 0.969 599 N CB 1.412 39.913 38.487 0.023 0.000 1.201 599 N HN 0.663 nan 8.380 nan 0.000 0.523 600 K N 0.101 120.531 120.400 0.049 0.000 2.074 600 K HA -0.171 4.149 4.320 -0.000 0.000 0.209 600 K C 0.328 176.963 176.600 0.059 0.000 1.048 600 K CA 1.648 57.974 56.287 0.066 0.000 0.926 600 K CB -0.100 32.439 32.500 0.065 0.000 0.713 600 K HN 0.614 nan 8.250 nan 0.000 0.444 601 D N 0.502 120.927 120.400 0.042 0.000 2.352 601 D HA -0.025 4.614 4.640 -0.000 0.000 0.232 601 D C -0.071 176.244 176.300 0.025 0.000 1.055 601 D CA 0.249 54.269 54.000 0.032 0.000 0.891 601 D CB -0.220 40.595 40.800 0.025 0.000 0.897 601 D HN -0.029 nan 8.370 nan 0.000 0.529 602 D N 0.520 120.936 120.400 0.026 0.000 2.348 602 D HA 0.244 4.884 4.640 -0.000 0.000 0.249 602 D C 0.046 176.352 176.300 0.010 0.000 1.110 602 D CA -0.155 53.854 54.000 0.015 0.000 0.967 602 D CB 1.010 41.816 40.800 0.010 0.000 1.139 602 D HN -0.008 nan 8.370 nan 0.000 0.466 603 D N 0.326 120.728 120.400 0.004 0.000 2.268 603 D HA 0.222 4.862 4.640 -0.000 0.000 0.249 603 D C 0.157 176.460 176.300 0.005 0.000 1.008 603 D CA -0.509 53.490 54.000 -0.001 0.000 0.939 603 D CB 1.656 42.460 40.800 0.008 0.000 1.170 603 D HN 0.129 nan 8.370 nan 0.000 0.468 604 L N 2.576 123.797 121.223 -0.003 0.000 2.451 604 L HA 0.054 4.394 4.340 -0.000 0.000 0.272 604 L C 1.085 178.130 176.870 0.291 0.000 1.258 604 L CA 0.158 55.040 54.840 0.070 0.000 1.132 604 L CB -0.910 41.139 42.059 -0.017 0.000 1.361 604 L HN 0.374 nan 8.230 nan 0.000 0.438 605 T N -2.684 111.990 114.554 0.200 0.000 2.910 605 T HA 0.121 4.471 4.350 -0.000 0.000 0.279 605 T C 1.051 175.744 174.700 -0.011 0.000 0.989 605 T CA -0.516 61.666 62.100 0.138 0.000 0.968 605 T CB 1.172 70.068 68.868 0.046 0.000 1.135 605 T HN 0.317 nan 8.240 nan 0.000 0.562 606 Y N 1.653 121.645 120.300 -0.515 0.000 2.069 606 Y HA -0.255 4.295 4.550 -0.001 0.000 0.278 606 Y C 2.940 178.734 175.900 -0.177 0.000 1.175 606 Y CA 2.628 60.344 58.100 -0.640 0.000 1.134 606 Y CB -0.633 37.478 38.460 -0.582 0.000 0.965 606 Y HN 0.835 nan 8.280 nan 0.000 0.498 607 Q N -0.915 118.818 119.800 -0.111 0.000 2.439 607 Q HA -0.141 4.199 4.340 -0.000 0.000 0.211 607 Q C 1.615 177.544 176.000 -0.118 0.000 0.978 607 Q CA 1.651 57.386 55.803 -0.113 0.000 0.897 607 Q CB -0.872 27.857 28.738 -0.015 0.000 0.956 607 Q HN 0.578 nan 8.270 nan 0.000 0.483 608 T N -2.529 111.984 114.554 -0.068 0.000 3.085 608 T HA 0.067 4.417 4.350 -0.000 0.000 0.263 608 T C 0.129 174.679 174.700 -0.249 0.000 1.127 608 T CA -0.093 61.934 62.100 -0.122 0.000 1.103 608 T CB -0.149 68.647 68.868 -0.120 0.000 0.921 608 T HN 0.159 nan 8.240 nan 0.000 0.510 609 F N 1.391 121.170 119.950 -0.285 0.000 2.399 609 F HA 0.727 5.254 4.527 -0.001 0.000 0.328 609 F C 0.490 176.046 175.800 -0.407 0.000 1.084 609 F CA -1.152 56.645 58.000 -0.338 0.000 1.053 609 F CB 1.319 40.179 39.000 -0.234 0.000 1.209 609 F HN 0.025 nan 8.300 nan 0.000 0.502 610 D N 0.444 120.648 120.400 -0.327 0.000 2.677 610 D HA 0.528 5.168 4.640 -0.000 0.000 0.298 610 D C -1.685 174.524 176.300 -0.152 0.000 1.250 610 D CA -0.412 53.419 54.000 -0.282 0.000 0.888 610 D CB 1.696 42.288 40.800 -0.345 0.000 1.397 610 D HN 0.360 nan 8.370 nan 0.000 0.461 611 L N 1.022 122.264 121.223 0.032 0.000 2.343 611 L HA 0.781 5.121 4.340 -0.000 0.000 0.278 611 L C -0.413 176.590 176.870 0.222 0.000 0.996 611 L CA -0.816 54.113 54.840 0.148 0.000 0.831 611 L CB 1.702 43.800 42.059 0.065 0.000 1.232 611 L HN 0.442 nan 8.230 nan 0.000 0.413 612 A N 2.302 125.296 122.820 0.290 0.000 2.317 612 A HA 0.837 5.157 4.320 -0.000 0.000 0.327 612 A C -0.319 177.293 177.584 0.046 0.000 1.178 612 A CA -0.362 51.761 52.037 0.143 0.000 0.817 612 A CB 1.771 20.750 19.000 -0.036 0.000 1.189 612 A HN 0.581 nan 8.150 nan 0.000 0.489 613 T N -0.273 114.298 114.554 0.029 0.000 2.778 613 T HA 0.745 5.094 4.350 -0.000 0.000 0.293 613 T C -0.491 174.224 174.700 0.024 0.000 1.144 613 T CA 0.121 62.226 62.100 0.008 0.000 1.010 613 T CB 1.865 70.736 68.868 0.005 0.000 1.325 613 T HN 1.098 nan 8.240 nan 0.000 0.515 614 T N 0.415 114.982 114.554 0.021 0.000 2.906 614 T HA 0.490 4.840 4.350 -0.000 0.000 0.295 614 T C 0.124 174.847 174.700 0.039 0.000 1.075 614 T CA -0.675 61.453 62.100 0.047 0.000 1.005 614 T CB 0.945 69.839 68.868 0.045 0.000 1.136 614 T HN 0.668 nan 8.240 nan 0.000 0.498 615 N N 1.091 119.820 118.700 0.048 0.000 2.336 615 N HA 0.183 4.922 4.740 -0.000 0.000 0.189 615 N C -0.141 175.391 175.510 0.037 0.000 1.113 615 N CA -0.341 52.730 53.050 0.036 0.000 0.858 615 N CB 0.300 38.805 38.487 0.030 0.000 0.970 615 N HN 0.284 nan 8.380 nan 0.000 0.471 616 S N 1.104 116.831 115.700 0.046 0.000 2.565 616 S HA 0.410 4.880 4.470 -0.000 0.000 0.290 616 S C 0.035 174.660 174.600 0.043 0.000 1.150 616 S CA -1.064 57.163 58.200 0.045 0.000 1.058 616 S CB 1.347 64.582 63.200 0.057 0.000 1.032 616 S HN 0.404 nan 8.310 nan 0.000 0.510 617 N N 1.244 119.967 118.700 0.040 0.000 2.525 617 N HA 0.659 5.399 4.740 -0.000 0.000 0.288 617 N C -0.914 174.621 175.510 0.041 0.000 1.242 617 N CA -0.867 52.216 53.050 0.054 0.000 0.905 617 N CB 1.449 39.967 38.487 0.051 0.000 1.258 617 N HN 0.706 nan 8.380 nan 0.000 0.551 618 M N -2.059 117.578 119.600 0.062 0.000 2.619 618 M HA 0.753 5.232 4.480 -0.000 0.000 0.297 618 M C -0.878 175.399 176.300 -0.039 0.000 1.229 618 M CA -0.690 54.588 55.300 -0.035 0.000 0.860 618 M CB 2.431 34.963 32.600 -0.113 0.000 1.741 618 M HN 0.560 nan 8.290 nan 0.000 0.462 619 G N 0.991 109.675 108.800 -0.192 0.000 2.658 619 G HA2 0.816 4.776 3.960 -0.000 0.000 0.292 619 G HA3 0.816 4.776 3.960 -0.000 0.000 0.292 619 G C -2.031 172.629 174.900 -0.399 0.000 1.320 619 G CA -0.728 44.319 45.100 -0.088 0.000 0.933 619 G HN 0.651 nan 8.290 nan 0.000 0.476 620 F N -0.665 119.348 119.950 0.106 0.000 2.631 620 F HA 0.787 5.314 4.527 -0.001 0.000 0.328 620 F C 0.467 176.292 175.800 0.043 0.000 1.067 620 F CA -0.766 57.264 58.000 0.050 0.000 0.969 620 F CB 2.737 41.737 39.000 0.000 0.000 1.332 620 F HN 0.372 nan 8.300 nan 0.000 0.490 621 S N -0.127 115.708 115.700 0.225 0.000 2.540 621 S HA 0.663 5.133 4.470 -0.000 0.000 0.275 621 S C -0.041 174.621 174.600 0.102 0.000 1.123 621 S CA -0.307 57.971 58.200 0.129 0.000 0.907 621 S CB 1.628 64.878 63.200 0.083 0.000 1.081 621 S HN 1.238 nan 8.310 nan 0.000 0.476 622 G N 3.038 111.879 108.800 0.069 0.000 2.598 622 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.269 622 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.269 622 G C 0.104 175.024 174.900 0.033 0.000 1.289 622 G CA 0.672 45.799 45.100 0.044 0.000 0.926 622 G HN 0.839 nan 8.290 nan 0.000 0.567 623 D N -0.184 120.229 120.400 0.021 0.000 2.369 623 D HA 0.041 4.681 4.640 -0.000 0.000 0.211 623 D C 1.171 177.481 176.300 0.017 0.000 1.077 623 D CA 0.837 54.841 54.000 0.007 0.000 0.842 623 D CB -0.012 40.785 40.800 -0.004 0.000 0.947 623 D HN 0.836 nan 8.370 nan 0.000 0.509 624 K N 0.800 121.222 120.400 0.037 0.000 2.655 624 K HA 0.279 4.599 4.320 -0.000 0.000 0.213 624 K C -0.564 176.084 176.600 0.079 0.000 1.126 624 K CA -0.659 55.657 56.287 0.048 0.000 1.076 624 K CB 0.052 32.579 32.500 0.044 0.000 1.644 624 K HN -0.238 nan 8.250 nan 0.000 0.523 625 N N 2.923 121.671 118.700 0.080 0.000 2.426 625 N HA 0.165 4.905 4.740 -0.000 0.000 0.275 625 N C -0.809 174.792 175.510 0.152 0.000 1.019 625 N CA -0.245 52.889 53.050 0.140 0.000 0.941 625 N CB 1.387 39.944 38.487 0.117 0.000 1.123 625 N HN 0.512 nan 8.380 nan 0.000 0.486 626 E N 1.474 121.797 120.200 0.205 0.000 2.312 626 E HA 0.490 4.840 4.350 -0.000 0.000 0.267 626 E C -0.887 175.866 176.600 0.256 0.000 0.894 626 E CA -0.880 55.661 56.400 0.235 0.000 0.773 626 E CB 2.809 32.645 29.700 0.226 0.000 1.241 626 E HN 0.262 nan 8.360 nan 0.000 0.432 627 L N 2.148 123.542 121.223 0.284 0.000 2.431 627 L HA 0.477 4.817 4.340 -0.000 0.000 0.266 627 L C -1.695 175.344 176.870 0.281 0.000 0.978 627 L CA -0.610 54.400 54.840 0.284 0.000 0.822 627 L CB 1.459 43.705 42.059 0.311 0.000 1.310 627 L HN 0.414 nan 8.230 nan 0.000 0.409 628 I N 5.304 125.991 120.570 0.195 0.000 2.608 628 I HA 0.479 4.649 4.170 -0.000 0.000 0.295 628 I C -0.660 175.536 176.117 0.132 0.000 1.049 628 I CA -0.621 60.766 61.300 0.144 0.000 1.063 628 I CB 1.952 40.008 38.000 0.094 0.000 1.248 628 I HN 0.381 nan 8.210 nan 0.000 0.424 629 I N 3.545 124.192 120.570 0.129 0.000 2.404 629 I HA 0.682 4.852 4.170 -0.000 0.000 0.293 629 I C 0.557 176.716 176.117 0.070 0.000 0.992 629 I CA -0.189 61.163 61.300 0.088 0.000 1.149 629 I CB 1.399 39.472 38.000 0.121 0.000 1.315 629 I HN 0.702 nan 8.210 nan 0.000 0.446 630 G N 3.452 112.303 108.800 0.085 0.000 2.816 630 G HA2 0.905 4.864 3.960 -0.000 0.000 0.288 630 G HA3 0.905 4.864 3.960 -0.000 0.000 0.288 630 G C -1.575 173.355 174.900 0.051 0.000 1.334 630 G CA -0.567 44.636 45.100 0.171 0.000 0.978 630 G HN 0.824 nan 8.290 nan 0.000 0.493 631 A N -0.681 122.193 122.820 0.090 0.000 2.602 631 A HA 0.779 5.099 4.320 -0.000 0.000 0.290 631 A C -0.594 177.045 177.584 0.092 0.000 1.114 631 A CA -0.457 51.477 52.037 -0.171 0.000 0.683 631 A CB 1.472 20.400 19.000 -0.119 0.000 1.281 631 A HN 1.029 nan 8.150 nan 0.000 0.416 632 E N 0.621 120.814 120.200 -0.011 0.000 2.232 632 E HA 0.651 5.001 4.350 -0.000 0.000 0.265 632 E C -0.555 176.138 176.600 0.155 0.000 1.001 632 E CA -0.545 55.958 56.400 0.171 0.000 0.870 632 E CB 1.280 31.077 29.700 0.163 0.000 1.175 632 E HN 0.385 nan 8.360 nan 0.000 0.407 633 S N 0.887 116.664 115.700 0.128 0.000 2.568 633 S HA 0.305 4.775 4.470 -0.000 0.000 0.282 633 S C -0.485 174.205 174.600 0.150 0.000 1.338 633 S CA -0.322 57.923 58.200 0.075 0.000 1.045 633 S CB -0.234 62.959 63.200 -0.011 0.000 0.873 633 S HN 0.444 nan 8.310 nan 0.000 0.516 634 F N -0.754 119.170 119.950 -0.044 0.000 2.643 634 F HA 0.739 5.266 4.527 -0.001 0.000 0.314 634 F C -0.550 175.225 175.800 -0.042 0.000 1.096 634 F CA -1.713 56.259 58.000 -0.047 0.000 0.953 634 F CB 0.485 39.442 39.000 -0.071 0.000 1.345 634 F HN 0.364 nan 8.300 nan 0.000 0.468 635 V N 0.569 120.508 119.914 0.041 0.000 2.775 635 V HA 0.481 4.601 4.120 -0.000 0.000 0.299 635 V C 0.408 176.469 176.094 -0.054 0.000 1.062 635 V CA -0.568 61.692 62.300 -0.067 0.000 1.063 635 V CB 0.554 32.385 31.823 0.013 0.000 0.994 635 V HN 1.032 nan 8.190 nan 0.000 0.483 636 S N 2.181 117.797 115.700 -0.140 0.000 2.573 636 S HA 0.446 4.915 4.470 -0.000 0.000 0.277 636 S C 1.023 175.661 174.600 0.064 0.000 1.346 636 S CA 0.439 58.602 58.200 -0.061 0.000 1.034 636 S CB 0.145 63.297 63.200 -0.079 0.000 0.879 636 S HN 2.603 nan 8.310 nan 0.000 0.528 637 N N -0.858 117.914 118.700 0.120 0.000 2.949 637 N HA -0.142 4.598 4.740 -0.000 0.000 0.180 637 N C -0.298 175.298 175.510 0.145 0.000 1.101 637 N CA 0.733 53.856 53.050 0.122 0.000 1.016 637 N CB -2.058 nan 38.487 nan 0.000 0.978 637 N HN 0.796 nan 8.380 nan 0.000 0.558 638 E N 0.932 121.246 120.200 0.190 0.000 2.249 638 E HA 0.423 4.773 4.350 -0.000 0.000 0.280 638 E C -0.603 176.018 176.600 0.034 0.000 1.016 638 E CA -0.325 56.146 56.400 0.118 0.000 0.830 638 E CB 1.163 30.940 29.700 0.128 0.000 1.081 638 E HN 0.675 nan 8.360 nan 0.000 0.395 639 K N 2.524 122.927 120.400 0.006 0.000 2.185 639 K HA 0.554 4.874 4.320 -0.000 0.000 0.269 639 K C -0.291 176.141 176.600 -0.280 0.000 0.987 639 K CA -0.513 55.746 56.287 -0.046 0.000 0.865 639 K CB 1.086 33.666 32.500 0.134 0.000 1.090 639 K HN 0.283 nan 8.250 nan 0.000 0.450 640 I N 3.136 123.391 120.570 -0.526 0.000 2.478 640 I HA 0.265 4.435 4.170 -0.000 0.000 0.287 640 I C -1.306 174.561 176.117 -0.417 0.000 1.042 640 I CA -0.611 60.432 61.300 -0.427 0.000 1.067 640 I CB 1.098 38.790 38.000 -0.513 0.000 1.233 640 I HN 0.482 nan 8.210 nan 0.000 0.431 641 Y N 6.250 126.584 120.300 0.058 0.000 2.364 641 Y HA 0.689 5.238 4.550 -0.001 0.000 0.340 641 Y C -0.169 175.805 175.900 0.124 0.000 0.975 641 Y CA -0.762 57.409 58.100 0.118 0.000 1.089 641 Y CB 1.573 40.056 38.460 0.039 0.000 1.192 641 Y HN 0.297 nan 8.280 nan 0.000 0.454 642 I N 2.312 123.061 120.570 0.297 0.000 2.530 642 I HA 0.268 4.438 4.170 -0.000 0.000 0.297 642 I C -0.073 176.217 176.117 0.288 0.000 1.011 642 I CA -0.312 61.147 61.300 0.266 0.000 1.107 642 I CB 2.137 40.235 38.000 0.162 0.000 1.285 642 I HN 0.686 nan 8.210 nan 0.000 0.436 643 D N 3.781 124.352 120.400 0.286 0.000 3.194 643 D HA 0.167 4.807 4.640 -0.000 0.000 0.290 643 D C -0.139 176.242 176.300 0.135 0.000 1.280 643 D CA 0.981 55.105 54.000 0.207 0.000 1.058 643 D CB 0.873 41.788 40.800 0.191 0.000 1.241 643 D HN 0.157 nan 8.370 nan 0.000 0.421 644 K N 0.623 121.095 120.400 0.119 0.000 2.426 644 K HA 0.386 4.705 4.320 -0.000 0.000 0.251 644 K C -0.776 175.834 176.600 0.016 0.000 0.941 644 K CA -0.777 55.550 56.287 0.066 0.000 0.808 644 K CB 2.553 35.097 32.500 0.074 0.000 1.265 644 K HN 0.135 nan 8.250 nan 0.000 0.432 645 I N 2.144 122.669 120.570 -0.075 0.000 2.339 645 I HA 0.284 4.454 4.170 -0.000 0.000 0.290 645 I C 0.138 176.082 176.117 -0.289 0.000 0.994 645 I CA -0.438 60.729 61.300 -0.222 0.000 1.191 645 I CB 1.210 39.016 38.000 -0.323 0.000 1.343 645 I HN 0.451 nan 8.210 nan 0.000 0.458 646 E N 5.835 125.833 120.200 -0.337 0.000 2.183 646 E HA 0.516 4.866 4.350 -0.000 0.000 0.271 646 E C -1.470 174.842 176.600 -0.481 0.000 0.919 646 E CA -0.552 55.702 56.400 -0.243 0.000 0.781 646 E CB 2.082 31.774 29.700 -0.013 0.000 1.140 646 E HN 0.259 nan 8.360 nan 0.000 0.402 647 F N 2.435 122.412 119.950 0.045 0.000 2.426 647 F HA 0.422 4.948 4.527 -0.000 0.000 0.348 647 F C 0.094 176.001 175.800 0.178 0.000 1.124 647 F CA -0.716 57.343 58.000 0.098 0.000 1.008 647 F CB 0.887 39.867 39.000 -0.033 0.000 1.139 647 F HN 0.208 nan 8.300 nan 0.000 0.452 648 I N 5.076 125.849 120.570 0.339 0.000 2.362 648 I HA 0.340 4.509 4.170 -0.000 0.000 0.289 648 I C -2.551 173.719 176.117 0.256 0.000 0.994 648 I CA -2.322 59.120 61.300 0.235 0.000 1.158 648 I CB 1.771 39.834 38.000 0.105 0.000 1.315 648 I HN 0.274 nan 8.210 nan 0.000 0.451 649 P HA 0.077 nan 4.420 nan 0.000 0.274 649 P C -0.267 176.960 177.300 -0.122 0.000 1.291 649 P CA -0.149 62.877 63.100 -0.123 0.000 0.815 649 P CB 0.444 32.111 31.700 -0.054 0.000 0.897 650 V N 5.703 125.522 119.914 -0.159 0.000 2.400 650 V HA -0.046 4.074 4.120 -0.000 0.000 0.263 650 V C 1.016 177.051 176.094 -0.098 0.000 1.026 650 V CA 0.664 62.911 62.300 -0.089 0.000 1.077 650 V CB -0.696 31.087 31.823 -0.066 0.000 1.054 650 V HN 0.490 nan 8.190 nan 0.000 0.477 651 Q N 5.368 125.129 119.800 -0.065 0.000 2.963 651 Q HA 0.376 4.716 4.340 -0.000 0.000 0.262 651 Q C -0.062 175.916 176.000 -0.037 0.000 1.318 651 Q CA -0.258 55.512 55.803 -0.055 0.000 1.089 651 Q CB 0.667 29.378 28.738 -0.045 0.000 1.424 651 Q HN 0.671 nan 8.270 nan 0.000 0.560 652 L N 0.000 121.202 121.223 -0.036 0.000 2.949 652 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 652 L CA 0.000 54.826 54.840 -0.023 0.000 0.813 652 L CB 0.000 42.046 42.059 -0.021 0.000 0.961 652 L HN 0.000 nan 8.230 nan 0.000 0.502