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 2okc_1_A DATA FIRST_RESID 9 DATA SEQUENCE QSLTKKVWNL ATTLAGQGIG FTDYITQLTY LLFLKXDAEN VEXFGEESAI DATA SEQUENCE PTGYQWADLI AFDGLDLVKQ YEETLKLLSE LDNLIGTIYT KAQNKIDKPV DATA SEQUENCE YLKKVITXID EEQWLIXDGD VKGAIYESIL EKNGQDKKSG AGQYFTPRPL DATA SEQUENCE IQAXVDCINP QXGETVCDPA CGTGGFLLTA YDYXKGQSXS KEKRDFLRDK DATA SEQUENCE ALHGVDNTPL VVTLASXNLY LHGIGTDRSP IVCEDSLEKE PSTLVDVILA DATA SEQUENCE NPPFGTRPAG SVDINRPDFY VETKNNQLNF LQHXXLXLKT GGRAAVVLPD DATA SEQUENCE NVLFEAGAGE TIRKRLLQDF NLHTILRLPT GIFYAQGVKA NVLFFSKGQP DATA SEQUENCE TKEIWFYDYR TDIKHTLATN KLERHHLDDF VSCYNNRVEI YDAENNPQGR DATA SEQUENCE WRKYPVDEII ARDKTSLDIT WIKPG 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 9 Q HA 0.000 nan 4.340 nan 0.000 0.214 9 Q C 0.000 176.017 176.000 0.028 0.000 1.003 9 Q CA 0.000 55.826 55.803 0.038 0.000 1.022 9 Q CB 0.000 28.755 28.738 0.028 0.000 1.108 10 S N 1.161 116.882 115.700 0.035 0.000 2.156 10 S HA -0.332 4.138 4.470 -0.000 0.000 0.234 10 S C 0.607 175.229 174.600 0.035 0.000 1.141 10 S CA 1.634 59.852 58.200 0.030 0.000 1.592 10 S CB -1.277 61.931 63.200 0.014 0.000 2.054 10 S HN 0.738 nan 8.310 nan 0.000 0.586 11 L N 1.454 122.699 121.223 0.035 0.000 2.131 11 L HA 0.003 4.343 4.340 -0.000 0.000 0.206 11 L C 2.748 179.682 176.870 0.107 0.000 1.087 11 L CA 2.012 56.883 54.840 0.052 0.000 0.767 11 L CB -0.630 41.443 42.059 0.022 0.000 0.917 11 L HN 0.839 nan 8.230 nan 0.000 0.441 12 T N -2.333 112.284 114.554 0.104 0.000 2.746 12 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 12 T C 2.120 176.890 174.700 0.116 0.000 1.039 12 T CA 1.644 63.817 62.100 0.121 0.000 1.142 12 T CB -0.621 68.309 68.868 0.104 0.000 0.866 12 T HN 0.354 nan 8.240 nan 0.000 0.444 13 K N 1.949 122.402 120.400 0.088 0.000 2.057 13 K HA 0.030 4.350 4.320 -0.000 0.000 0.207 13 K C 2.248 178.898 176.600 0.083 0.000 1.049 13 K CA 1.869 58.204 56.287 0.079 0.000 0.931 13 K CB -0.997 31.538 32.500 0.057 0.000 0.714 13 K HN 0.627 nan 8.250 nan 0.000 0.440 14 K N 0.209 120.659 120.400 0.083 0.000 2.057 14 K HA -0.094 4.226 4.320 -0.000 0.000 0.207 14 K C 2.113 178.785 176.600 0.120 0.000 1.049 14 K CA 1.383 57.723 56.287 0.088 0.000 0.931 14 K CB -0.355 32.196 32.500 0.086 0.000 0.714 14 K HN 0.180 nan 8.250 nan 0.000 0.440 15 V N -0.332 119.679 119.914 0.162 0.000 2.343 15 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 15 V C 2.750 178.954 176.094 0.183 0.000 1.051 15 V CA 2.446 64.882 62.300 0.226 0.000 1.036 15 V CB -1.199 30.762 31.823 0.230 0.000 0.654 15 V HN 0.683 nan 8.190 nan 0.000 0.451 16 W N 0.666 122.057 121.300 0.152 0.000 2.388 16 W HA -0.211 4.449 4.660 -0.000 0.000 0.294 16 W C 2.335 178.875 176.519 0.036 0.000 1.212 16 W CA 1.411 58.841 57.345 0.142 0.000 1.271 16 W CB -0.918 28.650 29.460 0.182 0.000 1.126 16 W HN 0.451 nan 8.180 nan 0.000 0.535 17 N N 0.648 119.363 118.700 0.025 0.000 2.270 17 N HA -0.118 4.622 4.740 -0.000 0.000 0.181 17 N C 1.759 177.222 175.510 -0.079 0.000 1.016 17 N CA 1.672 54.718 53.050 -0.008 0.000 0.870 17 N CB -0.592 37.906 38.487 0.018 0.000 0.979 17 N HN 0.348 nan 8.380 nan 0.000 0.431 18 L N 1.468 122.626 121.223 -0.109 0.000 2.201 18 L HA 0.092 4.432 4.340 -0.000 0.000 0.212 18 L C 2.365 178.893 176.870 -0.570 0.000 1.105 18 L CA 1.302 56.017 54.840 -0.208 0.000 0.775 18 L CB -1.131 40.885 42.059 -0.071 0.000 0.913 18 L HN 0.199 nan 8.230 nan 0.000 0.440 19 A N -0.968 121.374 122.820 -0.796 0.000 1.858 19 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 19 A C 2.358 179.670 177.584 -0.453 0.000 1.190 19 A CA 2.532 53.937 52.037 -1.053 0.000 0.617 19 A CB -1.311 17.059 19.000 -1.051 0.000 0.827 19 A HN 0.574 nan 8.150 nan 0.000 0.443 20 T N -3.006 111.430 114.554 -0.197 0.000 2.867 20 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 20 T C 1.750 176.390 174.700 -0.099 0.000 1.057 20 T CA 2.066 64.120 62.100 -0.075 0.000 1.136 20 T CB -1.024 67.838 68.868 -0.010 0.000 0.874 20 T HN 0.368 nan 8.240 nan 0.000 0.466 21 T N 2.604 117.087 114.554 -0.118 0.000 2.737 21 T HA 0.137 4.487 4.350 -0.000 0.000 0.265 21 T C 1.912 176.526 174.700 -0.143 0.000 1.038 21 T CA 1.087 63.147 62.100 -0.067 0.000 1.144 21 T CB -0.409 68.467 68.868 0.014 0.000 0.866 21 T HN 0.281 nan 8.240 nan 0.000 0.434 22 L N 0.789 121.890 121.223 -0.204 0.000 2.141 22 L HA 0.005 4.345 4.340 -0.000 0.000 0.209 22 L C 3.122 179.871 176.870 -0.201 0.000 1.094 22 L CA 1.026 55.724 54.840 -0.237 0.000 0.763 22 L CB -0.915 41.018 42.059 -0.211 0.000 0.908 22 L HN 0.271 nan 8.230 nan 0.000 0.437 23 A N 0.822 123.546 122.820 -0.160 0.000 1.908 23 A HA -0.170 4.149 4.320 -0.000 0.000 0.218 23 A C 2.422 179.952 177.584 -0.090 0.000 1.181 23 A CA 1.825 53.812 52.037 -0.083 0.000 0.627 23 A CB -1.211 17.772 19.000 -0.029 0.000 0.818 23 A HN 0.437 nan 8.150 nan 0.000 0.445 24 G N -0.711 108.023 108.800 -0.110 0.000 2.469 24 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.219 24 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.219 24 G C 1.068 175.873 174.900 -0.158 0.000 1.150 24 G CA 1.025 46.059 45.100 -0.109 0.000 0.763 24 G HN 0.550 nan 8.290 nan 0.000 0.561 25 Q N -0.572 119.064 119.800 -0.274 0.000 2.370 25 Q HA 0.338 4.678 4.340 -0.000 0.000 0.186 25 Q C 1.452 177.361 176.000 -0.152 0.000 1.093 25 Q CA 0.143 55.783 55.803 -0.271 0.000 1.142 25 Q CB -0.360 28.097 28.738 -0.467 0.000 1.175 25 Q HN 0.116 nan 8.270 nan 0.000 0.625 26 G N 0.155 108.892 108.800 -0.106 0.000 3.332 26 G HA2 0.272 4.232 3.960 -0.000 0.000 0.242 26 G HA3 0.272 4.232 3.960 -0.000 0.000 0.242 26 G C 0.056 174.937 174.900 -0.033 0.000 1.276 26 G CA -0.039 45.030 45.100 -0.052 0.000 0.988 26 G HN 0.288 nan 8.290 nan 0.000 0.517 27 I N 1.562 122.100 120.570 -0.053 0.000 2.328 27 I HA 0.365 4.535 4.170 -0.000 0.000 0.287 27 I C 1.010 177.128 176.117 0.002 0.000 1.012 27 I CA -0.810 60.479 61.300 -0.018 0.000 1.195 27 I CB 1.553 39.536 38.000 -0.028 0.000 1.350 27 I HN 0.043 nan 8.210 nan 0.000 0.464 28 G N 3.457 112.287 108.800 0.050 0.000 2.562 28 G HA2 0.195 4.155 3.960 -0.000 0.000 0.275 28 G HA3 0.195 4.155 3.960 -0.000 0.000 0.275 28 G C 0.304 175.300 174.900 0.160 0.000 1.196 28 G CA -0.279 44.882 45.100 0.102 0.000 0.908 28 G HN 0.553 nan 8.290 nan 0.000 0.524 29 F N 0.206 120.197 119.950 0.068 0.000 2.134 29 F HA -0.089 4.438 4.527 -0.000 0.000 0.299 29 F C 3.080 178.946 175.800 0.109 0.000 1.097 29 F CA 2.246 60.316 58.000 0.118 0.000 1.264 29 F CB -0.082 38.957 39.000 0.065 0.000 1.001 29 F HN 0.426 nan 8.300 nan 0.000 0.479 30 T N -0.585 114.147 114.554 0.298 0.000 2.746 30 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 30 T C 1.461 176.193 174.700 0.054 0.000 1.039 30 T CA 1.617 63.808 62.100 0.153 0.000 1.142 30 T CB -0.377 68.573 68.868 0.137 0.000 0.866 30 T HN 0.171 nan 8.240 nan 0.000 0.444 31 D N 0.169 120.615 120.400 0.076 0.000 2.084 31 D HA -0.083 4.557 4.640 -0.000 0.000 0.194 31 D C 1.740 178.063 176.300 0.038 0.000 0.990 31 D CA 0.929 54.956 54.000 0.045 0.000 0.826 31 D CB -0.644 40.199 40.800 0.071 0.000 0.971 31 D HN 0.389 nan 8.370 nan 0.000 0.453 32 Y N 1.436 121.694 120.300 -0.070 0.000 2.096 32 Y HA -0.263 4.287 4.550 -0.000 0.000 0.278 32 Y C 2.104 177.923 175.900 -0.134 0.000 1.192 32 Y CA 1.467 59.494 58.100 -0.122 0.000 1.143 32 Y CB -0.602 37.712 38.460 -0.243 0.000 0.963 32 Y HN 0.009 nan 8.280 nan 0.000 0.505 33 I N -0.926 119.431 120.570 -0.355 0.000 2.500 33 I HA -0.253 3.917 4.170 -0.000 0.000 0.252 33 I C 2.104 178.008 176.117 -0.355 0.000 1.142 33 I CA 1.473 62.497 61.300 -0.460 0.000 1.451 33 I CB -0.437 37.427 38.000 -0.227 0.000 1.093 33 I HN 0.253 nan 8.210 nan 0.000 0.430 34 T N 0.179 114.545 114.554 -0.315 0.000 2.737 34 T HA -0.164 4.186 4.350 -0.000 0.000 0.265 34 T C 1.875 176.195 174.700 -0.634 0.000 1.038 34 T CA 1.006 62.810 62.100 -0.494 0.000 1.144 34 T CB -0.177 68.423 68.868 -0.445 0.000 0.866 34 T HN 0.261 nan 8.240 nan 0.000 0.434 35 Q N 0.890 120.508 119.800 -0.304 0.000 2.096 35 Q HA -0.027 4.313 4.340 -0.000 0.000 0.204 35 Q C 2.435 178.437 176.000 0.003 0.000 0.982 35 Q CA 0.905 56.709 55.803 0.002 0.000 0.850 35 Q CB -1.031 27.806 28.738 0.166 0.000 0.901 35 Q HN 0.386 nan 8.270 nan 0.000 0.422 36 L N 0.999 122.105 121.223 -0.195 0.000 2.043 36 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 36 L C 1.943 178.742 176.870 -0.118 0.000 1.075 36 L CA 2.117 56.834 54.840 -0.204 0.000 0.752 36 L CB -1.045 40.727 42.059 -0.478 0.000 0.891 36 L HN 0.144 nan 8.230 nan 0.000 0.432 37 T N -1.295 113.169 114.554 -0.151 0.000 2.737 37 T HA -0.153 4.197 4.350 -0.000 0.000 0.265 37 T C 1.729 176.433 174.700 0.006 0.000 1.038 37 T CA 1.535 63.578 62.100 -0.096 0.000 1.144 37 T CB -0.432 68.354 68.868 -0.137 0.000 0.866 37 T HN 0.283 nan 8.240 nan 0.000 0.434 38 Y N 1.550 121.853 120.300 0.005 0.000 2.114 38 Y HA -0.043 4.507 4.550 -0.000 0.000 0.282 38 Y C 2.242 178.367 175.900 0.374 0.000 1.165 38 Y CA 0.223 58.413 58.100 0.150 0.000 1.148 38 Y CB -1.149 37.491 38.460 0.300 0.000 0.972 38 Y HN 0.179 nan 8.280 nan 0.000 0.504 39 L N -1.460 120.059 121.223 0.494 0.000 2.072 39 L HA -0.175 4.165 4.340 -0.000 0.000 0.205 39 L C 2.391 179.387 176.870 0.210 0.000 1.079 39 L CA 0.555 55.697 54.840 0.503 0.000 0.752 39 L CB -0.691 41.639 42.059 0.451 0.000 0.906 39 L HN 0.181 nan 8.230 nan 0.000 0.436 40 L N -0.481 120.727 121.223 -0.026 0.000 2.012 40 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 40 L C 2.351 179.090 176.870 -0.218 0.000 1.073 40 L CA 1.826 56.459 54.840 -0.346 0.000 0.748 40 L CB -0.733 41.047 42.059 -0.466 0.000 0.891 40 L HN 0.109 nan 8.230 nan 0.000 0.431 41 F N -0.963 118.908 119.950 -0.131 0.000 2.171 41 F HA -0.230 4.297 4.527 -0.000 0.000 0.300 41 F C 2.182 178.005 175.800 0.038 0.000 1.090 41 F CA 1.679 59.641 58.000 -0.063 0.000 1.293 41 F CB -0.205 38.753 39.000 -0.070 0.000 1.013 41 F HN 0.201 nan 8.300 nan 0.000 0.486 42 L N 0.718 122.128 121.223 0.311 0.000 2.027 42 L HA -0.066 4.274 4.340 -0.000 0.000 0.206 42 L C 1.472 178.375 176.870 0.056 0.000 1.074 42 L CA 1.456 56.478 54.840 0.302 0.000 0.745 42 L CB -0.933 41.452 42.059 0.542 0.000 0.898 42 L HN -0.012 nan 8.230 nan 0.000 0.433 46 A N 1.187 124.003 122.820 -0.006 0.000 1.865 46 A HA -0.165 4.154 4.320 -0.000 0.000 0.217 46 A C 1.900 179.500 177.584 0.026 0.000 1.191 46 A CA 2.119 54.185 52.037 0.048 0.000 0.623 46 A CB -0.822 18.245 19.000 0.111 0.000 0.826 46 A HN 0.453 nan 8.150 nan 0.000 0.444 47 E N -0.675 119.518 120.200 -0.011 0.000 2.086 47 E HA -0.288 4.062 4.350 -0.000 0.000 0.200 47 E C 1.939 178.572 176.600 0.055 0.000 1.012 47 E CA 1.539 57.947 56.400 0.014 0.000 0.812 47 E CB -0.308 29.401 29.700 0.015 0.000 0.743 47 E HN 0.730 nan 8.360 nan 0.000 0.453 48 N N 0.060 118.803 118.700 0.072 0.000 2.364 48 N HA -0.138 4.602 4.740 -0.000 0.000 0.183 48 N C 1.523 177.120 175.510 0.145 0.000 1.022 48 N CA 0.645 53.788 53.050 0.156 0.000 0.883 48 N CB 0.205 38.750 38.487 0.097 0.000 0.965 48 N HN -0.057 nan 8.380 nan 0.000 0.438 49 V N 0.161 120.125 119.914 0.083 0.000 2.453 49 V HA -0.037 4.083 4.120 -0.000 0.000 0.247 49 V C 1.557 177.682 176.094 0.052 0.000 1.048 49 V CA 1.972 64.314 62.300 0.071 0.000 1.049 49 V CB -1.050 30.809 31.823 0.060 0.000 0.672 49 V HN 0.591 nan 8.190 nan 0.000 0.457 53 G N -0.109 108.755 108.800 0.108 0.000 3.639 53 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.224 53 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.224 53 G C 0.501 175.447 174.900 0.075 0.000 1.339 53 G CA 0.873 46.019 45.100 0.077 0.000 0.933 53 G HN 0.816 nan 8.290 nan 0.000 0.568 54 E N 1.374 121.629 120.200 0.091 0.000 2.409 54 E HA 0.614 4.964 4.350 -0.000 0.000 0.257 54 E C 0.476 177.111 176.600 0.057 0.000 1.150 54 E CA 1.265 57.705 56.400 0.067 0.000 0.942 54 E CB -0.388 29.349 29.700 0.063 0.000 0.979 54 E HN 2.055 nan 8.360 nan 0.000 0.447 55 E N 0.062 120.291 120.200 0.047 0.000 2.373 55 E HA 0.334 4.684 4.350 -0.000 0.000 0.267 55 E C 1.196 177.823 176.600 0.046 0.000 1.032 55 E CA 0.225 56.651 56.400 0.044 0.000 0.889 55 E CB 1.065 30.787 29.700 0.038 0.000 0.984 55 E HN 0.831 nan 8.360 nan 0.000 0.425 56 S N 0.942 116.672 115.700 0.049 0.000 2.428 56 S HA 0.135 4.605 4.470 -0.000 0.000 0.230 56 S C 1.884 176.516 174.600 0.054 0.000 1.014 56 S CA 2.323 60.555 58.200 0.053 0.000 0.957 56 S CB -0.630 62.608 63.200 0.064 0.000 0.784 56 S HN 2.205 nan 8.310 nan 0.000 0.499 57 A N 0.021 122.872 122.820 0.051 0.000 3.261 57 A HA -0.183 4.136 4.320 -0.000 0.000 0.240 57 A C 0.447 178.063 177.584 0.052 0.000 0.644 57 A CA 1.216 53.284 52.037 0.050 0.000 1.228 57 A CB -2.398 16.637 19.000 0.059 0.000 1.281 57 A HN 0.546 nan 8.150 nan 0.000 0.685 58 I N 1.887 122.498 120.570 0.068 0.000 2.683 58 I HA 0.217 4.387 4.170 -0.000 0.000 0.286 58 I C -1.778 174.380 176.117 0.069 0.000 1.175 58 I CA -1.609 59.730 61.300 0.065 0.000 1.429 58 I CB -0.635 37.424 38.000 0.098 0.000 1.371 58 I HN 0.140 nan 8.210 nan 0.000 0.569 59 P HA 0.009 nan 4.420 nan 0.000 0.267 59 P C -0.051 177.352 177.300 0.173 0.000 1.201 59 P CA -0.091 63.062 63.100 0.088 0.000 0.775 59 P CB 0.205 31.927 31.700 0.036 0.000 0.854 60 T N -1.169 113.475 114.554 0.151 0.000 2.851 60 T HA 0.450 4.800 4.350 -0.000 0.000 0.298 60 T C 1.104 175.887 174.700 0.138 0.000 0.977 60 T CA 0.301 62.475 62.100 0.124 0.000 1.126 60 T CB 0.125 69.037 68.868 0.073 0.000 0.916 60 T HN 0.824 nan 8.240 nan 0.000 0.529 61 G N 2.221 111.023 108.800 0.003 0.000 2.218 61 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 61 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 61 G C 0.212 174.760 174.900 -0.587 0.000 0.994 61 G CA 0.118 45.048 45.100 -0.284 0.000 0.637 61 G HN 0.769 nan 8.290 nan 0.000 0.505 62 Y N 1.117 121.439 120.300 0.036 0.000 2.626 62 Y HA 0.435 4.985 4.550 -0.000 0.000 0.248 62 Y C 1.517 177.450 175.900 0.054 0.000 1.147 62 Y CA -0.344 57.771 58.100 0.026 0.000 1.219 62 Y CB 0.445 38.891 38.460 -0.024 0.000 1.279 62 Y HN 0.317 nan 8.280 nan 0.000 0.541 63 Q N -0.118 119.781 119.800 0.165 0.000 2.584 63 Q HA -0.102 4.238 4.340 -0.000 0.000 0.218 63 Q C 1.192 177.321 176.000 0.216 0.000 1.079 63 Q CA -0.163 55.754 55.803 0.189 0.000 1.008 63 Q CB 0.642 29.475 28.738 0.158 0.000 1.267 63 Q HN 0.518 nan 8.270 nan 0.000 0.586 64 W N 0.690 122.043 121.300 0.089 0.000 2.318 64 W HA -0.277 4.383 4.660 -0.000 0.000 0.313 64 W C 1.603 178.171 176.519 0.082 0.000 1.221 64 W CA 1.940 59.342 57.345 0.096 0.000 1.266 64 W CB -0.226 29.288 29.460 0.089 0.000 1.150 64 W HN 0.800 nan 8.180 nan 0.000 0.496 65 A N 0.704 123.613 122.820 0.149 0.000 1.940 65 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 65 A C 1.682 179.235 177.584 -0.052 0.000 1.176 65 A CA 2.088 54.144 52.037 0.033 0.000 0.631 65 A CB -1.064 17.983 19.000 0.078 0.000 0.814 65 A HN 0.345 nan 8.150 nan 0.000 0.446 66 D N -0.494 119.894 120.400 -0.020 0.000 2.144 66 D HA -0.128 4.512 4.640 -0.000 0.000 0.199 66 D C 1.855 178.176 176.300 0.035 0.000 0.984 66 D CA 1.329 55.318 54.000 -0.019 0.000 0.834 66 D CB -0.253 40.536 40.800 -0.019 0.000 0.955 66 D HN 0.392 nan 8.370 nan 0.000 0.465 67 L N 1.766 122.963 121.223 -0.043 0.000 1.988 67 L HA -0.102 4.237 4.340 -0.000 0.000 0.207 67 L C 2.367 179.173 176.870 -0.106 0.000 1.071 67 L CA 1.300 56.108 54.840 -0.053 0.000 0.744 67 L CB -0.717 41.201 42.059 -0.235 0.000 0.893 67 L HN 0.035 nan 8.230 nan 0.000 0.433 68 I N -2.315 118.054 120.570 -0.334 0.000 2.800 68 I HA -0.142 4.028 4.170 -0.000 0.000 0.266 68 I C 2.146 178.177 176.117 -0.142 0.000 1.249 68 I CA 1.235 62.371 61.300 -0.273 0.000 1.458 68 I CB -1.013 36.799 38.000 -0.314 0.000 1.093 68 I HN 0.232 nan 8.210 nan 0.000 0.466 69 A N 0.688 123.414 122.820 -0.156 0.000 2.119 69 A HA 0.219 4.538 4.320 -0.000 0.000 0.216 69 A C 0.858 178.254 177.584 -0.312 0.000 1.152 69 A CA 0.422 52.307 52.037 -0.254 0.000 0.708 69 A CB -0.503 18.272 19.000 -0.374 0.000 0.805 69 A HN 0.367 nan 8.150 nan 0.000 0.460 70 F N -0.873 119.022 119.950 -0.092 0.000 2.380 70 F HA 0.397 4.924 4.527 -0.000 0.000 0.319 70 F C 1.125 176.887 175.800 -0.064 0.000 1.113 70 F CA -0.397 57.562 58.000 -0.068 0.000 1.056 70 F CB 0.923 39.888 39.000 -0.059 0.000 1.289 70 F HN 0.031 nan 8.300 nan 0.000 0.515 71 D N -0.637 119.863 120.400 0.167 0.000 2.267 71 D HA 0.160 4.800 4.640 -0.000 0.000 0.297 71 D C 0.912 177.246 176.300 0.056 0.000 1.087 71 D CA 0.338 54.380 54.000 0.070 0.000 0.864 71 D CB 0.788 41.603 40.800 0.024 0.000 1.557 71 D HN 0.652 nan 8.370 nan 0.000 0.523 72 G N 0.791 109.635 108.800 0.074 0.000 3.019 72 G HA2 0.420 4.379 3.960 -0.000 0.000 0.152 72 G HA3 0.420 4.379 3.960 -0.000 0.000 0.152 72 G C 1.439 176.360 174.900 0.036 0.000 1.320 72 G CA 0.374 45.502 45.100 0.046 0.000 1.013 72 G HN 0.143 nan 8.290 nan 0.000 0.593 73 L N -0.540 120.700 121.223 0.029 0.000 2.187 73 L HA -0.005 4.335 4.340 -0.000 0.000 0.213 73 L C 2.312 179.180 176.870 -0.004 0.000 1.100 73 L CA 3.239 58.090 54.840 0.018 0.000 0.765 73 L CB -1.561 40.508 42.059 0.017 0.000 0.904 73 L HN 0.477 nan 8.230 nan 0.000 0.437 74 D N -0.602 119.802 120.400 0.007 0.000 2.123 74 D HA -0.172 4.468 4.640 -0.000 0.000 0.196 74 D C 2.055 178.249 176.300 -0.177 0.000 0.992 74 D CA 1.538 55.516 54.000 -0.036 0.000 0.833 74 D CB -0.117 40.771 40.800 0.147 0.000 0.954 74 D HN 0.532 nan 8.370 nan 0.000 0.455 75 L N 0.316 121.529 121.223 -0.017 0.000 2.017 75 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 75 L C 2.136 178.968 176.870 -0.063 0.000 1.073 75 L CA 1.389 56.210 54.840 -0.030 0.000 0.745 75 L CB -0.516 41.575 42.059 0.054 0.000 0.894 75 L HN -0.089 nan 8.230 nan 0.000 0.432 76 V N 0.314 120.221 119.914 -0.012 0.000 2.407 76 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 76 V C 3.050 179.159 176.094 0.025 0.000 1.055 76 V CA 2.253 64.584 62.300 0.050 0.000 1.049 76 V CB -1.327 30.529 31.823 0.055 0.000 0.662 76 V HN 0.657 nan 8.190 nan 0.000 0.455 77 K N -0.023 120.337 120.400 -0.066 0.000 2.025 77 K HA -0.229 4.091 4.320 -0.000 0.000 0.207 77 K C 2.036 178.551 176.600 -0.142 0.000 1.049 77 K CA 1.826 58.055 56.287 -0.096 0.000 0.933 77 K CB -0.819 31.612 32.500 -0.115 0.000 0.714 77 K HN 0.522 nan 8.250 nan 0.000 0.438 78 Q N -0.923 118.690 119.800 -0.312 0.000 2.061 78 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 78 Q C 2.036 178.008 176.000 -0.047 0.000 0.984 78 Q CA 2.367 57.974 55.803 -0.326 0.000 0.846 78 Q CB -0.668 27.578 28.738 -0.820 0.000 0.902 78 Q HN 0.692 nan 8.270 nan 0.000 0.421 79 Y N 1.014 121.233 120.300 -0.135 0.000 2.128 79 Y HA -0.215 4.335 4.550 -0.000 0.000 0.284 79 Y C 1.836 177.711 175.900 -0.042 0.000 1.154 79 Y CA 2.309 60.380 58.100 -0.050 0.000 1.149 79 Y CB -0.266 38.182 38.460 -0.021 0.000 0.976 79 Y HN 0.302 nan 8.280 nan 0.000 0.505 80 E N -0.204 119.941 120.200 -0.093 0.000 2.047 80 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 80 E C 2.121 178.610 176.600 -0.185 0.000 0.987 80 E CA 1.380 57.668 56.400 -0.186 0.000 0.799 80 E CB -0.147 29.506 29.700 -0.079 0.000 0.752 80 E HN 0.595 nan 8.360 nan 0.000 0.449 81 E N 0.008 120.145 120.200 -0.106 0.000 2.070 81 E HA -0.216 4.134 4.350 -0.000 0.000 0.197 81 E C 2.158 178.649 176.600 -0.181 0.000 1.004 81 E CA 1.723 58.069 56.400 -0.090 0.000 0.805 81 E CB -0.149 29.595 29.700 0.074 0.000 0.744 81 E HN 0.187 nan 8.360 nan 0.000 0.451 82 T N 1.435 115.938 114.554 -0.085 0.000 2.684 82 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 82 T C 1.936 176.422 174.700 -0.357 0.000 1.036 82 T CA 0.965 62.983 62.100 -0.136 0.000 1.148 82 T CB -0.214 68.666 68.868 0.020 0.000 0.863 82 T HN 0.095 nan 8.240 nan 0.000 0.436 83 L N 0.624 121.593 121.223 -0.424 0.000 2.141 83 L HA -0.067 4.273 4.340 -0.000 0.000 0.209 83 L C 2.676 179.315 176.870 -0.386 0.000 1.094 83 L CA 1.216 55.754 54.840 -0.503 0.000 0.763 83 L CB -0.469 41.243 42.059 -0.577 0.000 0.908 83 L HN 0.233 nan 8.230 nan 0.000 0.437 84 K N 0.895 121.109 120.400 -0.311 0.000 2.002 84 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 84 K C 2.173 178.613 176.600 -0.268 0.000 1.048 84 K CA 1.417 57.556 56.287 -0.247 0.000 0.930 84 K CB -0.122 32.259 32.500 -0.199 0.000 0.714 84 K HN 0.202 nan 8.250 nan 0.000 0.438 85 L N 1.083 122.102 121.223 -0.340 0.000 2.046 85 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 85 L C 2.425 179.113 176.870 -0.305 0.000 1.077 85 L CA 1.044 55.676 54.840 -0.346 0.000 0.747 85 L CB -0.350 41.406 42.059 -0.504 0.000 0.896 85 L HN 0.263 nan 8.230 nan 0.000 0.432 86 L N -0.601 120.390 121.223 -0.388 0.000 2.141 86 L HA -0.152 4.187 4.340 -0.000 0.000 0.209 86 L C 2.798 179.528 176.870 -0.233 0.000 1.094 86 L CA 1.340 55.935 54.840 -0.408 0.000 0.763 86 L CB -0.629 40.875 42.059 -0.924 0.000 0.908 86 L HN 0.389 nan 8.230 nan 0.000 0.437 87 S N -0.722 114.854 115.700 -0.206 0.000 2.447 87 S HA -0.158 4.312 4.470 -0.000 0.000 0.233 87 S C 1.532 176.075 174.600 -0.096 0.000 1.006 87 S CA 0.796 58.934 58.200 -0.104 0.000 0.957 87 S CB -0.264 62.865 63.200 -0.119 0.000 0.773 87 S HN 0.494 nan 8.310 nan 0.000 0.507 88 E N 0.462 120.588 120.200 -0.123 0.000 2.502 88 E HA 0.261 4.611 4.350 -0.000 0.000 0.194 88 E C 0.232 176.784 176.600 -0.080 0.000 1.062 88 E CA -0.101 56.240 56.400 -0.099 0.000 0.867 88 E CB 0.002 29.634 29.700 -0.113 0.000 0.888 88 E HN 0.559 nan 8.360 nan 0.000 0.510 89 L N 0.716 121.892 121.223 -0.079 0.000 2.488 89 L HA 0.212 4.552 4.340 -0.000 0.000 0.249 89 L C 0.420 177.266 176.870 -0.041 0.000 1.151 89 L CA -0.637 54.169 54.840 -0.057 0.000 0.806 89 L CB 0.593 42.619 42.059 -0.055 0.000 1.261 89 L HN -0.068 nan 8.230 nan 0.000 0.484 90 D N -0.522 119.860 120.400 -0.029 0.000 2.442 90 D HA 0.371 5.011 4.640 -0.000 0.000 0.254 90 D C -0.159 176.127 176.300 -0.024 0.000 1.069 90 D CA -0.283 53.702 54.000 -0.025 0.000 1.017 90 D CB 1.029 41.818 40.800 -0.018 0.000 1.172 90 D HN 0.447 nan 8.370 nan 0.000 0.561 91 N N -0.733 117.952 118.700 -0.025 0.000 1.870 91 N HA -0.263 4.477 4.740 -0.000 0.000 0.135 91 N C 0.842 176.321 175.510 -0.052 0.000 0.856 91 N CA 0.406 53.441 53.050 -0.025 0.000 0.877 91 N CB -1.058 37.424 38.487 -0.008 0.000 0.915 91 N HN 0.413 nan 8.380 nan 0.000 0.658 92 L N 1.097 122.286 121.223 -0.057 0.000 2.013 92 L HA -0.012 4.328 4.340 -0.000 0.000 0.212 92 L C 2.336 179.072 176.870 -0.223 0.000 1.073 92 L CA 1.813 56.575 54.840 -0.129 0.000 0.753 92 L CB -0.687 41.309 42.059 -0.105 0.000 0.890 92 L HN 0.590 nan 8.230 nan 0.000 0.432 93 I N -0.527 119.965 120.570 -0.131 0.000 2.142 93 I HA -0.239 3.931 4.170 -0.000 0.000 0.240 93 I C 2.545 178.635 176.117 -0.045 0.000 1.078 93 I CA 1.497 62.730 61.300 -0.113 0.000 1.343 93 I CB -1.215 36.830 38.000 0.075 0.000 1.046 93 I HN 0.417 nan 8.210 nan 0.000 0.405 94 G N 0.070 108.848 108.800 -0.037 0.000 2.469 94 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.220 94 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.220 94 G C 1.646 176.506 174.900 -0.066 0.000 1.136 94 G CA 1.624 46.705 45.100 -0.033 0.000 0.759 94 G HN 0.337 nan 8.290 nan 0.000 0.562 95 T N 1.593 116.078 114.554 -0.114 0.000 2.777 95 T HA -0.035 4.315 4.350 -0.000 0.000 0.266 95 T C 2.350 176.924 174.700 -0.209 0.000 1.040 95 T CA 0.792 62.809 62.100 -0.139 0.000 1.141 95 T CB -0.066 68.717 68.868 -0.142 0.000 0.868 95 T HN 0.113 nan 8.240 nan 0.000 0.444 96 I N 0.288 120.638 120.570 -0.367 0.000 2.208 96 I HA -0.131 4.038 4.170 -0.000 0.000 0.245 96 I C 1.149 176.954 176.117 -0.520 0.000 1.097 96 I CA 1.617 62.568 61.300 -0.580 0.000 1.363 96 I CB -0.851 36.481 38.000 -1.112 0.000 1.051 96 I HN 0.324 nan 8.210 nan 0.000 0.413 97 Y N 1.019 121.206 120.300 -0.187 0.000 2.718 97 Y HA 0.156 4.706 4.550 -0.000 0.000 0.322 97 Y C 0.948 176.754 175.900 -0.157 0.000 1.122 97 Y CA -0.464 57.509 58.100 -0.212 0.000 1.348 97 Y CB -0.761 37.517 38.460 -0.303 0.000 1.174 97 Y HN -0.087 nan 8.280 nan 0.000 0.523 98 T N 3.089 117.630 114.554 -0.022 0.000 2.871 98 T HA -0.047 4.303 4.350 -0.000 0.000 0.296 98 T C 0.604 175.299 174.700 -0.008 0.000 0.998 98 T CA -0.256 61.830 62.100 -0.024 0.000 1.162 98 T CB 0.161 69.007 68.868 -0.036 0.000 0.947 98 T HN 0.317 nan 8.240 nan 0.000 0.536 99 K N 0.188 120.572 120.400 -0.027 0.000 3.264 99 K HA -0.210 4.110 4.320 -0.000 0.000 0.267 99 K C 0.482 177.068 176.600 -0.024 0.000 0.886 99 K CA 0.476 56.745 56.287 -0.028 0.000 0.665 99 K CB -1.949 30.542 32.500 -0.015 0.000 1.447 99 K HN 0.828 nan 8.250 nan 0.000 0.464 100 A N 1.185 123.960 122.820 -0.075 0.000 2.483 100 A HA 0.207 4.526 4.320 -0.000 0.000 0.238 100 A C 0.364 177.873 177.584 -0.126 0.000 1.070 100 A CA 0.363 52.302 52.037 -0.163 0.000 0.770 100 A CB 0.395 19.104 19.000 -0.484 0.000 1.008 100 A HN 0.474 nan 8.150 nan 0.000 0.497 101 Q N 1.062 120.868 119.800 0.011 0.000 2.313 101 Q HA 0.224 4.564 4.340 -0.000 0.000 0.255 101 Q C -1.052 175.041 176.000 0.155 0.000 0.944 101 Q CA -0.651 55.175 55.803 0.037 0.000 0.881 101 Q CB 1.176 29.943 28.738 0.048 0.000 1.375 101 Q HN 0.891 nan 8.270 nan 0.000 0.422 102 N N 2.401 121.150 118.700 0.081 0.000 2.458 102 N HA 0.015 4.755 4.740 -0.000 0.000 0.258 102 N C -0.215 175.401 175.510 0.177 0.000 1.219 102 N CA 0.562 53.733 53.050 0.203 0.000 0.902 102 N CB 0.730 39.327 38.487 0.183 0.000 1.076 102 N HN 0.473 nan 8.380 nan 0.000 0.455 103 K N 2.904 123.424 120.400 0.200 0.000 2.447 103 K HA 0.280 4.600 4.320 -0.000 0.000 0.205 103 K C -0.338 176.336 176.600 0.124 0.000 1.059 103 K CA 0.022 56.389 56.287 0.133 0.000 1.065 103 K CB 0.408 32.974 32.500 0.110 0.000 0.885 103 K HN 0.563 nan 8.250 nan 0.000 0.545 104 I N 3.020 123.686 120.570 0.159 0.000 2.442 104 I HA 0.041 4.211 4.170 -0.000 0.000 0.279 104 I C 0.433 176.623 176.117 0.123 0.000 1.081 104 I CA -0.389 60.989 61.300 0.130 0.000 1.197 104 I CB 1.056 39.137 38.000 0.136 0.000 1.394 104 I HN -0.041 nan 8.210 nan 0.000 0.488 105 D N 3.906 124.362 120.400 0.093 0.000 2.348 105 D HA -0.109 4.531 4.640 -0.000 0.000 0.216 105 D C 0.248 176.598 176.300 0.083 0.000 0.970 105 D CA 0.674 54.722 54.000 0.081 0.000 0.889 105 D CB 0.066 40.901 40.800 0.059 0.000 0.912 105 D HN 0.333 nan 8.370 nan 0.000 0.524 106 K N 1.097 121.559 120.400 0.103 0.000 2.281 106 K HA 0.237 4.557 4.320 -0.000 0.000 0.272 106 K C -2.047 174.633 176.600 0.132 0.000 1.048 106 K CA -1.842 54.527 56.287 0.136 0.000 0.898 106 K CB 1.996 34.619 32.500 0.205 0.000 1.128 106 K HN -0.174 nan 8.250 nan 0.000 0.460 107 P HA -0.225 nan 4.420 nan 0.000 0.214 107 P C 1.456 178.762 177.300 0.009 0.000 1.163 107 P CA 0.848 63.971 63.100 0.039 0.000 0.889 107 P CB 0.204 31.921 31.700 0.027 0.000 0.790 108 V N -1.738 118.162 119.914 -0.022 0.000 2.324 108 V HA -0.273 3.847 4.120 -0.000 0.000 0.250 108 V C 2.210 178.164 176.094 -0.234 0.000 1.060 108 V CA 1.934 64.135 62.300 -0.165 0.000 1.042 108 V CB -1.428 30.223 31.823 -0.288 0.000 0.650 108 V HN 0.075 nan 8.190 nan 0.000 0.450 109 Y N -1.196 119.103 120.300 -0.002 0.000 2.457 109 Y HA -0.004 4.546 4.550 -0.000 0.000 0.292 109 Y C 1.960 177.859 175.900 -0.003 0.000 1.125 109 Y CA 0.887 58.985 58.100 -0.003 0.000 1.254 109 Y CB -0.195 38.263 38.460 -0.003 0.000 1.012 109 Y HN 0.214 nan 8.280 nan 0.000 0.555 110 L N 0.639 121.920 121.223 0.097 0.000 2.044 110 L HA -0.102 4.238 4.340 -0.000 0.000 0.205 110 L C 2.255 179.101 176.870 -0.039 0.000 1.075 110 L CA 1.834 56.673 54.840 -0.001 0.000 0.747 110 L CB -0.621 41.397 42.059 -0.068 0.000 0.903 110 L HN -0.070 nan 8.230 nan 0.000 0.435 111 K N 0.241 120.616 120.400 -0.042 0.000 2.103 111 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 111 K C 2.044 178.637 176.600 -0.012 0.000 1.048 111 K CA 1.676 57.936 56.287 -0.046 0.000 0.930 111 K CB -0.167 32.301 32.500 -0.052 0.000 0.716 111 K HN 0.365 nan 8.250 nan 0.000 0.444 112 K N -0.479 119.917 120.400 -0.008 0.000 2.063 112 K HA -0.105 4.215 4.320 -0.000 0.000 0.208 112 K C 1.886 178.541 176.600 0.092 0.000 1.048 112 K CA 1.565 57.869 56.287 0.028 0.000 0.928 112 K CB -0.091 32.420 32.500 0.019 0.000 0.713 112 K HN -0.026 nan 8.250 nan 0.000 0.442 113 V N 1.468 121.448 119.914 0.111 0.000 2.323 113 V HA -0.211 3.909 4.120 -0.000 0.000 0.244 113 V C 2.158 178.361 176.094 0.183 0.000 1.041 113 V CA 1.468 63.868 62.300 0.167 0.000 1.025 113 V CB -0.413 31.509 31.823 0.165 0.000 0.656 113 V HN 0.246 nan 8.190 nan 0.000 0.451 114 I N -0.063 120.580 120.570 0.122 0.000 2.118 114 I HA -0.205 3.965 4.170 -0.000 0.000 0.241 114 I C 1.615 177.890 176.117 0.264 0.000 1.070 114 I CA 1.197 62.599 61.300 0.171 0.000 1.327 114 I CB -0.609 37.352 38.000 -0.066 0.000 1.034 114 I HN 0.328 nan 8.210 nan 0.000 0.405 118 D N 2.080 122.782 120.400 0.504 0.000 2.178 118 D HA -0.159 4.481 4.640 -0.000 0.000 0.201 118 D C 1.674 178.130 176.300 0.261 0.000 0.980 118 D CA 1.575 55.875 54.000 0.499 0.000 0.842 118 D CB 0.249 41.393 40.800 0.573 0.000 0.948 118 D HN 0.361 nan 8.370 nan 0.000 0.472 119 E N -0.364 119.954 120.200 0.196 0.000 2.502 119 E HA 0.000 4.350 4.350 -0.000 0.000 0.194 119 E C 0.075 176.663 176.600 -0.019 0.000 1.062 119 E CA 0.310 56.761 56.400 0.086 0.000 0.867 119 E CB 0.323 30.068 29.700 0.074 0.000 0.888 119 E HN 0.398 nan 8.360 nan 0.000 0.510 120 E N -0.238 119.911 120.200 -0.086 0.000 2.249 120 E HA 0.331 4.681 4.350 -0.000 0.000 0.263 120 E C -0.103 176.249 176.600 -0.413 0.000 0.950 120 E CA -0.419 55.752 56.400 -0.381 0.000 0.827 120 E CB 0.956 30.140 29.700 -0.860 0.000 1.220 120 E HN 0.001 nan 8.360 nan 0.000 0.411 121 Q N 0.875 120.401 119.800 -0.456 0.000 2.394 121 Q HA 0.355 4.695 4.340 -0.000 0.000 0.259 121 Q C -0.056 175.740 176.000 -0.340 0.000 1.021 121 Q CA -0.503 55.129 55.803 -0.284 0.000 0.805 121 Q CB 0.058 28.703 28.738 -0.155 0.000 1.226 121 Q HN 0.689 nan 8.270 nan 0.000 0.476 122 W N 1.555 122.811 121.300 -0.073 0.000 2.539 122 W HA 0.228 4.888 4.660 -0.000 0.000 0.299 122 W C 0.749 177.234 176.519 -0.056 0.000 1.165 122 W CA -0.228 57.076 57.345 -0.068 0.000 1.400 122 W CB 0.243 29.645 29.460 -0.096 0.000 1.123 122 W HN 0.517 nan 8.180 nan 0.000 0.533 123 L N 1.834 123.164 121.223 0.179 0.000 2.499 123 L HA 0.184 4.524 4.340 -0.000 0.000 0.273 123 L C 0.164 177.071 176.870 0.061 0.000 1.195 123 L CA 0.497 55.401 54.840 0.106 0.000 0.882 123 L CB -0.435 41.699 42.059 0.126 0.000 1.133 123 L HN 0.123 nan 8.230 nan 0.000 0.483 127 G N 1.569 110.362 108.800 -0.012 0.000 2.779 127 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.230 127 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.230 127 G C 1.011 175.875 174.900 -0.060 0.000 1.243 127 G CA 0.972 46.047 45.100 -0.042 0.000 0.769 127 G HN 0.306 nan 8.290 nan 0.000 0.516 128 D N 0.604 120.990 120.400 -0.023 0.000 2.123 128 D HA -0.015 4.625 4.640 -0.000 0.000 0.196 128 D C 2.685 178.978 176.300 -0.010 0.000 0.992 128 D CA 1.423 55.420 54.000 -0.006 0.000 0.833 128 D CB -0.512 40.302 40.800 0.024 0.000 0.954 128 D HN 0.369 nan 8.370 nan 0.000 0.455 129 V N 0.997 120.912 119.914 0.002 0.000 2.255 129 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 129 V C 2.379 178.496 176.094 0.038 0.000 1.051 129 V CA 1.751 64.064 62.300 0.023 0.000 1.018 129 V CB -0.274 31.561 31.823 0.020 0.000 0.641 129 V HN 0.189 nan 8.190 nan 0.000 0.445 130 K N -0.216 120.198 120.400 0.024 0.000 2.032 130 K HA -0.152 4.168 4.320 -0.000 0.000 0.209 130 K C 2.242 178.818 176.600 -0.041 0.000 1.048 130 K CA 1.546 57.859 56.287 0.045 0.000 0.927 130 K CB -0.866 31.644 32.500 0.017 0.000 0.712 130 K HN 0.565 nan 8.250 nan 0.000 0.441 131 G N 1.179 109.836 108.800 -0.238 0.000 2.553 131 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.218 131 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.218 131 G C 1.610 176.494 174.900 -0.027 0.000 1.195 131 G CA 1.389 46.161 45.100 -0.547 0.000 0.779 131 G HN 0.414 nan 8.290 nan 0.000 0.577 132 A N 0.218 123.074 122.820 0.060 0.000 1.969 132 A HA 0.168 4.488 4.320 -0.000 0.000 0.218 132 A C 2.431 180.101 177.584 0.143 0.000 1.169 132 A CA 1.151 53.271 52.037 0.137 0.000 0.635 132 A CB -0.262 18.800 19.000 0.103 0.000 0.810 132 A HN 0.409 nan 8.150 nan 0.000 0.445 133 I N -2.193 118.463 120.570 0.143 0.000 2.179 133 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 133 I C 2.437 178.671 176.117 0.195 0.000 1.088 133 I CA 1.625 63.025 61.300 0.167 0.000 1.357 133 I CB -0.399 37.725 38.000 0.207 0.000 1.051 133 I HN 0.455 nan 8.210 nan 0.000 0.409 134 Y N 1.762 122.108 120.300 0.076 0.000 2.114 134 Y HA -0.270 4.279 4.550 -0.000 0.000 0.284 134 Y C 2.661 178.629 175.900 0.113 0.000 1.143 134 Y CA 1.661 59.805 58.100 0.074 0.000 1.135 134 Y CB -0.200 38.289 38.460 0.050 0.000 0.980 134 Y HN 0.100 nan 8.280 nan 0.000 0.499 135 E N -0.713 119.650 120.200 0.271 0.000 2.130 135 E HA -0.247 4.103 4.350 -0.000 0.000 0.196 135 E C 2.427 179.091 176.600 0.107 0.000 0.998 135 E CA 1.450 57.974 56.400 0.207 0.000 0.806 135 E CB -0.454 29.401 29.700 0.258 0.000 0.738 135 E HN 0.366 nan 8.360 nan 0.000 0.459 136 S N 0.065 115.822 115.700 0.094 0.000 2.368 136 S HA -0.068 4.402 4.470 -0.000 0.000 0.224 136 S C 2.085 176.690 174.600 0.008 0.000 1.029 136 S CA 0.553 58.786 58.200 0.056 0.000 0.988 136 S CB -0.082 63.165 63.200 0.078 0.000 0.838 136 S HN 0.158 nan 8.310 nan 0.000 0.462 137 I N 1.431 122.004 120.570 0.004 0.000 2.179 137 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 137 I C 2.150 178.208 176.117 -0.098 0.000 1.088 137 I CA 1.144 62.441 61.300 -0.004 0.000 1.357 137 I CB -0.417 37.547 38.000 -0.060 0.000 1.051 137 I HN 0.283 nan 8.210 nan 0.000 0.409 138 L N 0.166 121.264 121.223 -0.209 0.000 2.079 138 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 138 L C 2.690 179.273 176.870 -0.479 0.000 1.081 138 L CA 1.326 56.016 54.840 -0.250 0.000 0.752 138 L CB -0.661 41.329 42.059 -0.116 0.000 0.896 138 L HN 0.346 nan 8.230 nan 0.000 0.433 139 E N 1.012 120.954 120.200 -0.430 0.000 2.046 139 E HA -0.225 4.125 4.350 -0.000 0.000 0.190 139 E C 2.405 178.706 176.600 -0.499 0.000 0.982 139 E CA 1.716 57.711 56.400 -0.675 0.000 0.800 139 E CB 0.171 29.770 29.700 -0.168 0.000 0.756 139 E HN 0.431 nan 8.360 nan 0.000 0.449 140 K N 1.605 121.828 120.400 -0.295 0.000 2.147 140 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 140 K C 1.600 177.916 176.600 -0.474 0.000 1.049 140 K CA 1.557 57.676 56.287 -0.279 0.000 0.936 140 K CB -1.169 31.242 32.500 -0.148 0.000 0.722 140 K HN 0.347 nan 8.250 nan 0.000 0.446 141 N N -0.218 118.178 118.700 -0.507 0.000 2.171 141 N HA -0.090 4.650 4.740 -0.000 0.000 0.184 141 N C 2.272 177.544 175.510 -0.398 0.000 1.021 141 N CA 1.030 53.740 53.050 -0.568 0.000 0.854 141 N CB -0.180 38.168 38.487 -0.232 0.000 0.994 141 N HN 0.389 nan 8.380 nan 0.000 0.426 142 G N 0.207 108.710 108.800 -0.494 0.000 2.432 142 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.219 142 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.219 142 G C 0.669 175.408 174.900 -0.268 0.000 1.135 142 G CA 0.428 45.225 45.100 -0.506 0.000 0.767 142 G HN 0.460 nan 8.290 nan 0.000 0.550 143 Q N 0.893 120.541 119.800 -0.254 0.000 2.824 143 Q HA 0.204 4.544 4.340 -0.000 0.000 0.371 143 Q C -1.369 174.569 176.000 -0.103 0.000 1.071 143 Q CA -0.327 55.434 55.803 -0.069 0.000 1.064 143 Q CB 0.904 29.624 28.738 -0.030 0.000 1.332 143 Q HN 0.166 nan 8.270 nan 0.000 0.445 144 D N 0.776 121.110 120.400 -0.109 0.000 2.461 144 D HA 0.187 4.827 4.640 -0.000 0.000 0.240 144 D C 0.998 177.283 176.300 -0.026 0.000 1.094 144 D CA -0.152 53.773 54.000 -0.124 0.000 0.868 144 D CB 1.130 41.783 40.800 -0.245 0.000 1.062 144 D HN 0.227 nan 8.370 nan 0.000 0.530 145 K N 2.724 123.120 120.400 -0.006 0.000 2.218 145 K HA -0.159 4.161 4.320 -0.000 0.000 0.205 145 K C 1.704 178.322 176.600 0.030 0.000 1.046 145 K CA 2.242 58.544 56.287 0.024 0.000 0.933 145 K CB -0.820 31.683 32.500 0.005 0.000 0.728 145 K HN 0.528 nan 8.250 nan 0.000 0.454 146 K N 0.011 120.420 120.400 0.015 0.000 2.438 146 K HA 0.402 4.722 4.320 -0.000 0.000 0.205 146 K C 1.683 178.299 176.600 0.026 0.000 1.033 146 K CA 0.694 56.994 56.287 0.023 0.000 1.089 146 K CB -0.114 32.394 32.500 0.014 0.000 0.857 146 K HN 0.376 nan 8.250 nan 0.000 0.522 147 S N -0.397 115.313 115.700 0.017 0.000 2.503 147 S HA 0.288 4.757 4.470 -0.000 0.000 0.215 147 S C 1.717 176.332 174.600 0.026 0.000 1.003 147 S CA 1.157 59.367 58.200 0.017 0.000 0.910 147 S CB -0.181 63.001 63.200 -0.030 0.000 0.790 147 S HN 1.482 nan 8.310 nan 0.000 0.514 148 G N 1.051 109.878 108.800 0.046 0.000 2.283 148 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.280 148 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.280 148 G C 0.725 175.534 174.900 -0.151 0.000 1.029 148 G CA 0.473 45.593 45.100 0.034 0.000 0.840 148 G HN 0.935 nan 8.290 nan 0.000 0.505 149 A N -0.513 122.221 122.820 -0.144 0.000 2.169 149 A HA 0.490 4.810 4.320 -0.000 0.000 0.212 149 A C 2.548 179.921 177.584 -0.352 0.000 1.153 149 A CA 1.621 53.579 52.037 -0.132 0.000 0.756 149 A CB -0.314 18.675 19.000 -0.018 0.000 0.813 149 A HN 1.455 nan 8.150 nan 0.000 0.471 150 G N 0.765 109.177 108.800 -0.646 0.000 2.470 150 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.220 150 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.220 150 G C 1.493 175.553 174.900 -1.401 0.000 1.121 150 G CA 0.966 45.422 45.100 -1.073 0.000 0.766 150 G HN 0.810 nan 8.290 nan 0.000 0.553 151 Q N -0.839 118.109 119.800 -1.420 0.000 2.368 151 Q HA -0.126 4.214 4.340 -0.000 0.000 0.210 151 Q C 1.099 176.788 176.000 -0.517 0.000 0.982 151 Q CA 1.084 56.423 55.803 -0.774 0.000 0.884 151 Q CB -0.370 27.957 28.738 -0.685 0.000 0.933 151 Q HN 0.533 nan 8.270 nan 0.000 0.460 152 Y N -0.851 119.334 120.300 -0.191 0.000 2.524 152 Y HA 0.409 4.959 4.550 -0.000 0.000 0.266 152 Y C -0.497 175.441 175.900 0.063 0.000 1.180 152 Y CA -1.086 56.976 58.100 -0.063 0.000 1.244 152 Y CB 0.351 38.781 38.460 -0.050 0.000 1.125 152 Y HN 0.107 nan 8.280 nan 0.000 0.524 153 F N -0.773 119.154 119.950 -0.038 0.000 2.631 153 F HA 0.668 5.195 4.527 -0.000 0.000 0.308 153 F C -0.679 175.147 175.800 0.043 0.000 1.097 153 F CA -0.850 57.142 58.000 -0.014 0.000 0.952 153 F CB 1.780 40.757 39.000 -0.038 0.000 1.307 153 F HN -0.344 nan 8.300 nan 0.000 0.450 154 T N 5.107 119.302 114.554 -0.600 0.000 2.886 154 T HA 0.444 4.794 4.350 -0.000 0.000 0.292 154 T C -2.915 171.404 174.700 -0.634 0.000 1.012 154 T CA -1.377 60.519 62.100 -0.341 0.000 0.982 154 T CB 2.105 70.829 68.868 -0.240 0.000 1.018 154 T HN 0.249 nan 8.240 nan 0.000 0.451 155 P HA 0.232 nan 4.420 nan 0.000 0.267 155 P C 0.445 177.574 177.300 -0.286 0.000 1.205 155 P CA -0.294 62.673 63.100 -0.222 0.000 0.765 155 P CB 0.876 32.453 31.700 -0.206 0.000 0.828 156 R N 5.077 125.441 120.500 -0.227 0.000 2.091 156 R HA -0.105 4.235 4.340 -0.000 0.000 0.238 156 R C -0.629 175.572 176.300 -0.164 0.000 1.136 156 R CA 1.915 57.886 56.100 -0.216 0.000 0.959 156 R CB -2.434 27.797 30.300 -0.114 0.000 0.856 156 R HN 0.483 nan 8.270 nan 0.000 0.437 157 P HA -0.176 nan 4.420 nan 0.000 0.217 157 P C 1.173 178.412 177.300 -0.102 0.000 1.151 157 P CA 1.008 64.050 63.100 -0.097 0.000 0.849 157 P CB 0.039 31.683 31.700 -0.094 0.000 0.787 158 L N -1.230 119.914 121.223 -0.132 0.000 2.095 158 L HA -0.025 4.315 4.340 -0.000 0.000 0.204 158 L C 2.141 178.970 176.870 -0.068 0.000 1.080 158 L CA 1.484 56.271 54.840 -0.087 0.000 0.759 158 L CB -1.073 40.927 42.059 -0.098 0.000 0.914 158 L HN -0.141 nan 8.230 nan 0.000 0.439 159 I N -0.470 119.971 120.570 -0.214 0.000 2.151 159 I HA -0.381 3.789 4.170 -0.000 0.000 0.243 159 I C 2.532 178.585 176.117 -0.107 0.000 1.080 159 I CA 1.682 62.785 61.300 -0.329 0.000 1.339 159 I CB -0.465 37.119 38.000 -0.694 0.000 1.039 159 I HN 0.432 nan 8.210 nan 0.000 0.409 160 Q N 0.725 120.464 119.800 -0.101 0.000 2.061 160 Q HA -0.101 4.239 4.340 -0.000 0.000 0.204 160 Q C 1.369 177.363 176.000 -0.010 0.000 0.984 160 Q CA 1.329 57.107 55.803 -0.040 0.000 0.846 160 Q CB -0.248 28.469 28.738 -0.034 0.000 0.902 160 Q HN 0.587 nan 8.270 nan 0.000 0.421 164 D N 0.599 120.856 120.400 -0.237 0.000 2.123 164 D HA -0.163 4.477 4.640 -0.000 0.000 0.196 164 D C 1.927 178.077 176.300 -0.251 0.000 0.992 164 D CA 2.112 55.998 54.000 -0.190 0.000 0.833 164 D CB -0.180 40.595 40.800 -0.040 0.000 0.954 164 D HN 0.538 nan 8.370 nan 0.000 0.455 165 C N 0.697 119.790 119.300 -0.345 0.000 2.453 165 C HA -0.044 4.416 4.460 -0.000 0.000 0.277 165 C C 2.721 177.457 174.990 -0.422 0.000 1.262 165 C CA -0.124 58.468 59.018 -0.711 0.000 1.718 165 C CB -0.680 26.222 27.740 -1.398 0.000 2.031 165 C HN 0.345 nan 8.230 nan 0.000 0.480 166 I N 1.124 121.580 120.570 -0.191 0.000 2.361 166 I HA -0.119 4.051 4.170 -0.000 0.000 0.251 166 I C 1.032 177.094 176.117 -0.092 0.000 1.133 166 I CA 1.551 62.826 61.300 -0.042 0.000 1.413 166 I CB -1.438 36.555 38.000 -0.011 0.000 1.073 166 I HN 0.486 nan 8.210 nan 0.000 0.424 167 N N 0.742 119.297 118.700 -0.242 0.000 2.696 167 N HA -0.118 4.622 4.740 -0.000 0.000 0.256 167 N C -2.253 173.224 175.510 -0.055 0.000 1.031 167 N CA 0.056 52.995 53.050 -0.184 0.000 0.730 167 N CB -0.710 37.790 38.487 0.021 0.000 0.894 167 N HN 0.208 nan 8.380 nan 0.000 0.544 168 P HA 0.036 nan 4.420 nan 0.000 0.267 168 P C -0.317 177.073 177.300 0.150 0.000 1.200 168 P CA 0.456 63.566 63.100 0.017 0.000 0.772 168 P CB 0.725 32.423 31.700 -0.003 0.000 0.855 172 E N 1.932 122.144 120.200 0.019 0.000 2.343 172 E HA 0.454 4.804 4.350 -0.000 0.000 0.269 172 E C 0.033 176.808 176.600 0.292 0.000 1.047 172 E CA -0.123 56.343 56.400 0.110 0.000 0.874 172 E CB 1.144 30.892 29.700 0.081 0.000 1.033 172 E HN 0.258 nan 8.360 nan 0.000 0.409 173 T N -1.137 113.570 114.554 0.255 0.000 2.856 173 T HA 0.401 4.751 4.350 -0.000 0.000 0.292 173 T C -0.078 174.702 174.700 0.132 0.000 0.980 173 T CA -0.842 61.388 62.100 0.217 0.000 1.091 173 T CB 0.808 69.780 68.868 0.174 0.000 0.936 173 T HN 0.101 nan 8.240 nan 0.000 0.503 174 V N 2.618 122.604 119.914 0.121 0.000 2.531 174 V HA 0.554 4.674 4.120 -0.000 0.000 0.301 174 V C -0.179 175.970 176.094 0.092 0.000 1.034 174 V CA -0.950 61.403 62.300 0.088 0.000 0.865 174 V CB 1.523 33.400 31.823 0.091 0.000 0.995 174 V HN 1.252 nan 8.190 nan 0.000 0.424 175 C N 4.013 123.353 119.300 0.066 0.000 2.498 175 C HA 0.694 5.154 4.460 -0.000 0.000 0.316 175 C C -1.035 173.969 174.990 0.023 0.000 1.209 175 C CA -0.388 58.684 59.018 0.089 0.000 1.518 175 C CB 1.217 29.034 27.740 0.128 0.000 2.147 175 C HN 0.964 nan 8.230 nan 0.000 0.483 176 D N 5.893 126.307 120.400 0.022 0.000 2.461 176 D HA 0.389 5.029 4.640 -0.000 0.000 0.240 176 D C -1.887 174.429 176.300 0.027 0.000 1.094 176 D CA -1.739 52.248 54.000 -0.021 0.000 0.868 176 D CB 1.834 42.631 40.800 -0.006 0.000 1.062 176 D HN 0.444 nan 8.370 nan 0.000 0.530 177 P HA 0.225 nan 4.420 nan 0.000 0.256 177 P C -0.262 177.161 177.300 0.204 0.000 1.384 177 P CA 0.018 63.222 63.100 0.174 0.000 0.879 177 P CB 0.261 32.139 31.700 0.296 0.000 1.403 178 A N -0.175 122.697 122.820 0.087 0.000 3.464 178 A HA 0.273 4.593 4.320 -0.000 0.000 0.243 178 A C 1.106 178.679 177.584 -0.017 0.000 1.100 178 A CA -0.325 51.722 52.037 0.017 0.000 0.957 178 A CB -1.066 17.824 19.000 -0.184 0.000 1.340 178 A HN 0.313 nan 8.150 nan 0.000 0.645 179 C N -1.412 117.895 119.300 0.011 0.000 2.500 179 C HA 0.473 4.933 4.460 -0.000 0.000 0.273 179 C C 1.930 176.943 174.990 0.038 0.000 1.428 179 C CA 0.517 59.553 59.018 0.031 0.000 1.766 179 C CB -1.588 26.158 27.740 0.009 0.000 1.817 179 C HN 2.131 nan 8.230 nan 0.000 0.543 180 G N 1.759 110.576 108.800 0.029 0.000 2.594 180 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.297 180 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.297 180 G C 0.958 175.878 174.900 0.033 0.000 1.273 180 G CA 2.230 47.361 45.100 0.053 0.000 0.974 180 G HN 1.341 nan 8.290 nan 0.000 0.552 181 T N -1.164 113.430 114.554 0.065 0.000 3.139 181 T HA 0.343 4.692 4.350 -0.000 0.000 0.267 181 T C 2.399 177.126 174.700 0.046 0.000 1.164 181 T CA 1.686 63.830 62.100 0.074 0.000 1.075 181 T CB -0.387 68.577 68.868 0.160 0.000 0.904 181 T HN 2.777 nan 8.240 nan 0.000 0.540 182 G N -0.063 108.747 108.800 0.017 0.000 2.132 182 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.234 182 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.234 182 G C 1.021 175.906 174.900 -0.025 0.000 0.989 182 G CA 0.005 45.111 45.100 0.011 0.000 0.676 182 G HN 0.886 nan 8.290 nan 0.000 0.522 183 G N 0.085 108.824 108.800 -0.103 0.000 2.469 183 G HA2 -0.034 3.925 3.960 -0.000 0.000 0.220 183 G HA3 -0.034 3.925 3.960 -0.000 0.000 0.220 183 G C 1.451 176.213 174.900 -0.230 0.000 1.136 183 G CA 1.618 46.578 45.100 -0.233 0.000 0.759 183 G HN 0.489 nan 8.290 nan 0.000 0.562 184 F N 0.537 120.435 119.950 -0.086 0.000 2.146 184 F HA 0.111 4.638 4.527 -0.000 0.000 0.298 184 F C 2.644 178.424 175.800 -0.033 0.000 1.096 184 F CA 0.736 58.698 58.000 -0.065 0.000 1.275 184 F CB -0.291 38.669 39.000 -0.067 0.000 1.008 184 F HN 0.027 nan 8.300 nan 0.000 0.480 185 L N -0.870 120.448 121.223 0.158 0.000 2.056 185 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 185 L C 2.426 179.346 176.870 0.083 0.000 1.078 185 L CA 0.670 55.573 54.840 0.106 0.000 0.749 185 L CB -0.748 41.348 42.059 0.062 0.000 0.901 185 L HN 0.186 nan 8.230 nan 0.000 0.433 186 L N -0.205 121.025 121.223 0.011 0.000 2.017 186 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 186 L C 2.408 179.308 176.870 0.050 0.000 1.073 186 L CA 2.175 56.996 54.840 -0.031 0.000 0.745 186 L CB -0.869 41.085 42.059 -0.175 0.000 0.894 186 L HN 0.135 nan 8.230 nan 0.000 0.432 187 T N -0.070 114.494 114.554 0.016 0.000 2.777 187 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 187 T C 1.918 176.692 174.700 0.123 0.000 1.040 187 T CA 1.206 63.332 62.100 0.044 0.000 1.141 187 T CB -0.582 68.270 68.868 -0.027 0.000 0.868 187 T HN 0.511 nan 8.240 nan 0.000 0.444 188 A N 0.563 123.462 122.820 0.132 0.000 1.930 188 A HA -0.059 4.260 4.320 -0.000 0.000 0.217 188 A C 2.082 179.790 177.584 0.206 0.000 1.175 188 A CA 1.332 53.452 52.037 0.139 0.000 0.627 188 A CB -0.960 18.110 19.000 0.116 0.000 0.815 188 A HN 0.593 nan 8.150 nan 0.000 0.443 189 Y N 1.094 121.446 120.300 0.085 0.000 2.145 189 Y HA -0.226 4.324 4.550 -0.000 0.000 0.286 189 Y C 1.922 177.876 175.900 0.089 0.000 1.145 189 Y CA 2.092 60.242 58.100 0.082 0.000 1.148 189 Y CB -0.167 38.325 38.460 0.054 0.000 0.981 189 Y HN 0.330 nan 8.280 nan 0.000 0.507 190 D N -0.487 120.033 120.400 0.201 0.000 2.117 190 D HA -0.222 4.418 4.640 -0.000 0.000 0.197 190 D C 0.712 177.032 176.300 0.033 0.000 0.987 190 D CA 1.165 55.216 54.000 0.085 0.000 0.829 190 D CB -0.912 39.968 40.800 0.134 0.000 0.961 190 D HN 0.345 nan 8.370 nan 0.000 0.460 194 G N 1.474 110.184 108.800 -0.150 0.000 3.371 194 G HA2 0.228 4.188 3.960 -0.000 0.000 0.248 194 G HA3 0.228 4.188 3.960 -0.000 0.000 0.248 194 G C 0.254 175.080 174.900 -0.123 0.000 1.161 194 G CA -0.025 44.999 45.100 -0.126 0.000 0.796 194 G HN 0.453 nan 8.290 nan 0.000 0.539 195 Q N -0.333 119.400 119.800 -0.112 0.000 2.195 195 Q HA 0.546 4.886 4.340 -0.000 0.000 0.250 195 Q C 0.192 176.157 176.000 -0.059 0.000 0.988 195 Q CA -0.607 55.142 55.803 -0.090 0.000 0.911 195 Q CB 1.435 30.127 28.738 -0.077 0.000 1.258 195 Q HN 0.128 nan 8.270 nan 0.000 0.475 199 K N 0.205 120.614 120.400 0.016 0.000 2.370 199 K HA 0.267 4.587 4.320 -0.000 0.000 0.194 199 K C 2.218 178.846 176.600 0.045 0.000 1.070 199 K CA 1.107 57.410 56.287 0.027 0.000 0.998 199 K CB -0.324 32.190 32.500 0.022 0.000 0.911 199 K HN 0.732 nan 8.250 nan 0.000 0.533 200 E N 1.914 122.138 120.200 0.041 0.000 2.219 200 E HA -0.200 4.150 4.350 -0.000 0.000 0.198 200 E C 1.617 178.279 176.600 0.103 0.000 0.998 200 E CA 1.527 57.964 56.400 0.062 0.000 0.818 200 E CB -0.396 29.325 29.700 0.035 0.000 0.741 200 E HN 0.349 nan 8.360 nan 0.000 0.477 201 K N -1.610 118.836 120.400 0.076 0.000 2.276 201 K HA 0.121 4.441 4.320 -0.000 0.000 0.198 201 K C 2.886 179.567 176.600 0.136 0.000 1.052 201 K CA 0.548 56.897 56.287 0.104 0.000 0.984 201 K CB 0.306 32.817 32.500 0.018 0.000 0.836 201 K HN 0.318 nan 8.250 nan 0.000 0.490 202 R N 1.978 122.528 120.500 0.083 0.000 2.096 202 R HA -0.143 4.196 4.340 -0.000 0.000 0.235 202 R C 1.541 177.898 176.300 0.096 0.000 1.127 202 R CA 2.102 58.243 56.100 0.068 0.000 0.968 202 R CB -1.191 29.131 30.300 0.037 0.000 0.861 202 R HN 0.147 nan 8.270 nan 0.000 0.440 203 D N -0.796 119.667 120.400 0.105 0.000 2.183 203 D HA -0.032 4.608 4.640 -0.000 0.000 0.203 203 D C 1.576 177.954 176.300 0.130 0.000 0.969 203 D CA 0.849 54.910 54.000 0.101 0.000 0.842 203 D CB -0.408 40.444 40.800 0.086 0.000 0.957 203 D HN 0.439 nan 8.370 nan 0.000 0.484 204 F N 1.161 121.133 119.950 0.036 0.000 2.102 204 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 204 F C 2.069 177.906 175.800 0.061 0.000 1.105 204 F CA 0.810 58.835 58.000 0.042 0.000 1.239 204 F CB -0.207 38.812 39.000 0.032 0.000 0.991 204 F HN -0.083 nan 8.300 nan 0.000 0.474 205 L N 0.924 122.286 121.223 0.231 0.000 2.012 205 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 205 L C 2.582 179.529 176.870 0.128 0.000 1.073 205 L CA 2.029 56.971 54.840 0.169 0.000 0.748 205 L CB -0.976 41.165 42.059 0.136 0.000 0.891 205 L HN 0.186 nan 8.230 nan 0.000 0.431 206 R N -0.772 119.800 120.500 0.120 0.000 2.080 206 R HA -0.173 4.167 4.340 -0.000 0.000 0.236 206 R C 1.487 177.805 176.300 0.031 0.000 1.137 206 R CA 2.189 58.358 56.100 0.114 0.000 0.943 206 R CB -0.253 30.102 30.300 0.091 0.000 0.846 206 R HN 0.468 nan 8.270 nan 0.000 0.431 207 D N -1.205 119.170 120.400 -0.043 0.000 2.388 207 D HA 0.044 4.684 4.640 -0.000 0.000 0.208 207 D C 0.952 177.145 176.300 -0.178 0.000 1.035 207 D CA 0.766 54.717 54.000 -0.082 0.000 0.875 207 D CB 0.590 41.352 40.800 -0.062 0.000 0.984 207 D HN 0.250 nan 8.370 nan 0.000 0.508 208 K N -0.490 119.690 120.400 -0.366 0.000 2.562 208 K HA 0.318 4.637 4.320 -0.000 0.000 0.218 208 K C 1.495 177.759 176.600 -0.560 0.000 1.374 208 K CA 0.176 56.117 56.287 -0.577 0.000 0.996 208 K CB 1.415 33.317 32.500 -0.996 0.000 1.127 208 K HN -0.093 nan 8.250 nan 0.000 0.603 209 A N 1.481 124.075 122.820 -0.377 0.000 1.872 209 A HA 0.096 4.416 4.320 -0.000 0.000 0.214 209 A C 0.992 178.604 177.584 0.048 0.000 1.187 209 A CA 0.787 52.795 52.037 -0.048 0.000 0.614 209 A CB -0.185 18.899 19.000 0.139 0.000 0.826 209 A HN 0.080 nan 8.150 nan 0.000 0.442 210 L N -0.820 120.435 121.223 0.053 0.000 2.343 210 L HA 0.555 4.895 4.340 -0.000 0.000 0.275 210 L C -0.276 176.675 176.870 0.136 0.000 1.056 210 L CA -0.590 54.307 54.840 0.096 0.000 0.804 210 L CB 1.267 43.376 42.059 0.083 0.000 1.203 210 L HN 0.511 nan 8.230 nan 0.000 0.440 211 H N 0.788 119.869 119.070 0.018 0.000 3.087 211 H HA 0.602 5.158 4.556 -0.000 0.000 0.348 211 H C -0.886 174.457 175.328 0.025 0.000 1.092 211 H CA -0.365 55.691 56.048 0.014 0.000 1.285 211 H CB 1.912 31.683 29.762 0.014 0.000 1.875 211 H HN 0.666 nan 8.280 nan 0.000 0.512 212 G N 2.510 111.086 108.800 -0.372 0.000 2.591 212 G HA2 0.555 4.515 3.960 -0.000 0.000 0.306 212 G HA3 0.555 4.515 3.960 -0.000 0.000 0.306 212 G C -1.610 173.084 174.900 -0.344 0.000 1.334 212 G CA -0.663 44.287 45.100 -0.250 0.000 0.981 212 G HN 0.520 nan 8.290 nan 0.000 0.491 213 V N 1.698 121.513 119.914 -0.164 0.000 2.604 213 V HA 0.624 4.744 4.120 -0.000 0.000 0.305 213 V C -1.000 175.083 176.094 -0.018 0.000 1.043 213 V CA -0.783 61.462 62.300 -0.091 0.000 0.888 213 V CB 1.996 33.821 31.823 0.004 0.000 0.995 213 V HN 0.783 nan 8.190 nan 0.000 0.429 214 D N 2.419 122.807 120.400 -0.021 0.000 2.857 214 D HA 0.221 4.861 4.640 -0.000 0.000 0.227 214 D C 0.067 176.368 176.300 0.003 0.000 1.192 214 D CA -0.400 53.602 54.000 0.003 0.000 0.857 214 D CB 2.377 43.164 40.800 -0.021 0.000 1.645 214 D HN 0.604 nan 8.370 nan 0.000 0.482 215 N N 0.876 119.594 118.700 0.029 0.000 2.467 215 N HA -0.042 4.698 4.740 -0.000 0.000 0.184 215 N C -0.209 175.306 175.510 0.007 0.000 1.106 215 N CA 0.189 53.253 53.050 0.024 0.000 0.892 215 N CB 0.186 38.703 38.487 0.050 0.000 0.969 215 N HN 0.108 nan 8.380 nan 0.000 0.454 216 T N 2.533 117.079 114.554 -0.013 0.000 2.753 216 T HA 0.288 4.638 4.350 -0.000 0.000 0.297 216 T C -1.848 172.803 174.700 -0.081 0.000 0.981 216 T CA -1.358 60.716 62.100 -0.043 0.000 0.956 216 T CB 2.219 71.046 68.868 -0.068 0.000 0.936 216 T HN -0.092 nan 8.240 nan 0.000 0.463 217 P HA -0.159 nan 4.420 nan 0.000 0.216 217 P C 1.739 178.997 177.300 -0.070 0.000 1.157 217 P CA 0.849 63.922 63.100 -0.045 0.000 0.880 217 P CB -0.053 31.639 31.700 -0.013 0.000 0.791 218 L N -2.966 118.198 121.223 -0.098 0.000 2.141 218 L HA -0.067 4.273 4.340 -0.000 0.000 0.209 218 L C 2.002 178.752 176.870 -0.200 0.000 1.094 218 L CA 1.754 56.510 54.840 -0.140 0.000 0.763 218 L CB -1.850 40.115 42.059 -0.157 0.000 0.908 218 L HN -0.196 nan 8.230 nan 0.000 0.437 219 V N -0.518 119.242 119.914 -0.256 0.000 2.453 219 V HA -0.165 3.955 4.120 -0.000 0.000 0.247 219 V C 2.651 178.659 176.094 -0.143 0.000 1.048 219 V CA 1.439 63.579 62.300 -0.267 0.000 1.049 219 V CB -0.334 31.261 31.823 -0.381 0.000 0.672 219 V HN 0.383 nan 8.190 nan 0.000 0.457 220 V N 0.060 119.904 119.914 -0.118 0.000 2.392 220 V HA -0.288 3.832 4.120 -0.000 0.000 0.249 220 V C 2.585 178.619 176.094 -0.099 0.000 1.059 220 V CA 2.647 64.892 62.300 -0.092 0.000 1.051 220 V CB -0.984 30.791 31.823 -0.081 0.000 0.658 220 V HN 0.601 nan 8.190 nan 0.000 0.455 221 T N 0.516 115.003 114.554 -0.110 0.000 2.708 221 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 221 T C 1.846 176.483 174.700 -0.105 0.000 1.037 221 T CA 1.666 63.685 62.100 -0.135 0.000 1.146 221 T CB -0.282 68.505 68.868 -0.135 0.000 0.865 221 T HN 0.331 nan 8.240 nan 0.000 0.435 222 L N 0.689 121.870 121.223 -0.071 0.000 2.056 222 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 222 L C 3.082 180.026 176.870 0.124 0.000 1.078 222 L CA 1.235 56.108 54.840 0.055 0.000 0.749 222 L CB -0.821 41.224 42.059 -0.024 0.000 0.901 222 L HN 0.236 nan 8.230 nan 0.000 0.433 223 A N 0.365 123.204 122.820 0.031 0.000 1.877 223 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 223 A C 1.789 179.385 177.584 0.019 0.000 1.186 223 A CA 1.335 53.392 52.037 0.034 0.000 0.620 223 A CB -0.685 18.308 19.000 -0.012 0.000 0.822 223 A HN 0.517 nan 8.150 nan 0.000 0.443 227 L N 1.118 122.413 121.223 0.119 0.000 2.012 227 L HA 0.029 4.369 4.340 -0.000 0.000 0.210 227 L C 2.128 179.035 176.870 0.061 0.000 1.073 227 L CA 1.804 56.676 54.840 0.053 0.000 0.748 227 L CB -1.233 40.815 42.059 -0.018 0.000 0.891 227 L HN 0.425 nan 8.230 nan 0.000 0.431 228 Y N -0.170 120.102 120.300 -0.047 0.000 2.128 228 Y HA -0.239 4.311 4.550 -0.000 0.000 0.284 228 Y C 2.320 178.181 175.900 -0.065 0.000 1.154 228 Y CA 1.564 59.636 58.100 -0.046 0.000 1.149 228 Y CB -0.302 38.151 38.460 -0.012 0.000 0.976 228 Y HN 0.074 nan 8.280 nan 0.000 0.505 229 L N -0.625 120.521 121.223 -0.129 0.000 2.353 229 L HA -0.211 4.128 4.340 -0.000 0.000 0.220 229 L C 1.008 177.663 176.870 -0.358 0.000 1.133 229 L CA 1.193 55.853 54.840 -0.299 0.000 0.798 229 L CB -0.547 41.319 42.059 -0.323 0.000 0.922 229 L HN 0.336 nan 8.230 nan 0.000 0.445 230 H N -0.709 118.286 119.070 -0.124 0.000 2.519 230 H HA 0.237 4.793 4.556 -0.000 0.000 0.289 230 H C 1.380 176.637 175.328 -0.118 0.000 1.040 230 H CA 0.434 56.434 56.048 -0.080 0.000 1.165 230 H CB 0.241 29.982 29.762 -0.035 0.000 1.462 230 H HN 0.264 nan 8.280 nan 0.000 0.555 231 G N 1.042 109.764 108.800 -0.131 0.000 2.160 231 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.251 231 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.251 231 G C 0.055 174.866 174.900 -0.149 0.000 1.008 231 G CA 0.063 45.080 45.100 -0.138 0.000 0.724 231 G HN 0.407 nan 8.290 nan 0.000 0.514 232 I N 1.429 121.869 120.570 -0.218 0.000 2.282 232 I HA 0.540 4.710 4.170 -0.000 0.000 0.290 232 I C 1.026 177.080 176.117 -0.105 0.000 1.090 232 I CA 0.461 61.559 61.300 -0.337 0.000 1.231 232 I CB 0.611 38.274 38.000 -0.561 0.000 1.434 232 I HN 0.809 nan 8.210 nan 0.000 0.487 233 G N 3.574 112.350 108.800 -0.039 0.000 2.663 233 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.686 233 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.686 233 G C -0.067 174.901 174.900 0.114 0.000 1.246 233 G CA -0.095 45.033 45.100 0.046 0.000 0.795 233 G HN 0.588 nan 8.290 nan 0.000 0.627 234 T N -2.519 112.105 114.554 0.118 0.000 3.321 234 T HA 0.443 4.793 4.350 -0.000 0.000 0.251 234 T C 2.011 176.805 174.700 0.155 0.000 0.999 234 T CA 2.090 64.277 62.100 0.145 0.000 1.186 234 T CB -0.273 68.636 68.868 0.067 0.000 1.163 234 T HN 1.658 nan 8.240 nan 0.000 0.399 235 D N 0.537 120.989 120.400 0.087 0.000 2.423 235 D HA 0.411 5.051 4.640 -0.000 0.000 0.208 235 D C 1.175 177.496 176.300 0.035 0.000 1.068 235 D CA -0.182 53.855 54.000 0.061 0.000 0.860 235 D CB 0.192 41.018 40.800 0.043 0.000 0.992 235 D HN 0.456 nan 8.370 nan 0.000 0.504 236 R N -0.361 120.158 120.500 0.033 0.000 2.803 236 R HA 0.628 4.968 4.340 -0.000 0.000 0.276 236 R C -1.112 175.192 176.300 0.006 0.000 0.978 236 R CA -0.454 55.652 56.100 0.010 0.000 0.939 236 R CB 2.241 32.546 30.300 0.009 0.000 1.179 236 R HN 0.156 nan 8.270 nan 0.000 0.472 237 S N 1.209 116.900 115.700 -0.016 0.000 2.509 237 S HA 0.376 4.846 4.470 -0.000 0.000 0.297 237 S C -1.600 172.991 174.600 -0.014 0.000 1.118 237 S CA -1.725 56.461 58.200 -0.025 0.000 1.074 237 S CB 1.153 64.317 63.200 -0.061 0.000 1.038 237 S HN 0.494 nan 8.310 nan 0.000 0.498 238 P HA 0.141 nan 4.420 nan 0.000 0.237 238 P C -0.179 177.077 177.300 -0.072 0.000 1.178 238 P CA 0.247 63.347 63.100 0.001 0.000 0.766 238 P CB -0.036 31.664 31.700 0.000 0.000 0.876 239 I N 1.882 122.398 120.570 -0.090 0.000 2.365 239 I HA 0.159 4.329 4.170 -0.000 0.000 0.291 239 I C 0.722 176.766 176.117 -0.122 0.000 1.004 239 I CA -1.369 59.849 61.300 -0.135 0.000 1.311 239 I CB 1.108 39.051 38.000 -0.095 0.000 1.401 239 I HN -0.241 nan 8.210 nan 0.000 0.491 240 V N 3.284 123.104 119.914 -0.157 0.000 2.864 240 V HA 0.526 4.646 4.120 -0.000 0.000 0.314 240 V C -0.311 175.743 176.094 -0.067 0.000 1.073 240 V CA -0.849 61.402 62.300 -0.081 0.000 0.956 240 V CB 1.748 33.557 31.823 -0.023 0.000 1.023 240 V HN 0.861 nan 8.190 nan 0.000 0.435 241 C N 3.722 122.997 119.300 -0.041 0.000 2.168 241 C HA 0.731 5.191 4.460 -0.000 0.000 0.333 241 C C 0.063 175.044 174.990 -0.015 0.000 1.106 241 C CA 0.194 59.193 59.018 -0.032 0.000 1.574 241 C CB -1.766 25.954 27.740 -0.032 0.000 2.055 241 C HN 1.066 nan 8.230 nan 0.000 0.473 242 E N 1.973 122.169 120.200 -0.006 0.000 2.446 242 E HA 0.273 4.623 4.350 -0.000 0.000 0.276 242 E C -1.561 175.041 176.600 0.004 0.000 0.969 242 E CA -0.702 55.699 56.400 0.001 0.000 0.800 242 E CB 1.245 30.954 29.700 0.016 0.000 1.341 242 E HN 0.499 nan 8.360 nan 0.000 0.460 243 D N 0.516 120.909 120.400 -0.012 0.000 2.411 243 D HA 0.149 4.789 4.640 -0.000 0.000 0.225 243 D C 0.238 176.482 176.300 -0.094 0.000 1.156 243 D CA 0.176 54.159 54.000 -0.029 0.000 0.874 243 D CB 0.952 41.729 40.800 -0.038 0.000 1.034 243 D HN 0.283 nan 8.370 nan 0.000 0.502 244 S N 3.025 118.660 115.700 -0.109 0.000 2.392 244 S HA -0.172 4.298 4.470 -0.000 0.000 0.232 244 S C 1.924 176.128 174.600 -0.660 0.000 1.041 244 S CA 0.898 58.919 58.200 -0.297 0.000 1.026 244 S CB -0.025 63.045 63.200 -0.215 0.000 0.845 244 S HN 0.621 nan 8.310 nan 0.000 0.465 245 L N 0.850 121.739 121.223 -0.557 0.000 2.395 245 L HA 0.010 4.349 4.340 -0.000 0.000 0.218 245 L C 2.518 179.193 176.870 -0.325 0.000 1.130 245 L CA 0.777 55.319 54.840 -0.497 0.000 0.826 245 L CB -0.455 41.381 42.059 -0.371 0.000 0.941 245 L HN 0.380 nan 8.230 nan 0.000 0.451 246 E N 0.969 121.026 120.200 -0.238 0.000 2.106 246 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 246 E C 0.290 176.790 176.600 -0.167 0.000 0.984 246 E CA 0.947 57.245 56.400 -0.170 0.000 0.806 246 E CB 0.450 30.085 29.700 -0.109 0.000 0.750 246 E HN 0.333 nan 8.360 nan 0.000 0.458 247 K N 0.925 121.241 120.400 -0.140 0.000 2.422 247 K HA 0.176 4.496 4.320 -0.000 0.000 0.251 247 K C -1.005 175.584 176.600 -0.018 0.000 0.933 247 K CA -0.557 55.681 56.287 -0.081 0.000 0.798 247 K CB 2.123 34.599 32.500 -0.039 0.000 1.238 247 K HN 0.004 nan 8.250 nan 0.000 0.428 248 E N 3.901 124.080 120.200 -0.035 0.000 2.452 248 E HA 0.022 4.372 4.350 -0.000 0.000 0.261 248 E C -1.948 174.679 176.600 0.045 0.000 0.987 248 E CA -1.157 55.248 56.400 0.008 0.000 0.926 248 E CB 0.420 30.102 29.700 -0.029 0.000 0.934 248 E HN 0.166 nan 8.360 nan 0.000 0.452 249 P HA 0.017 nan 4.420 nan 0.000 0.275 249 P C -0.123 177.184 177.300 0.013 0.000 1.227 249 P CA -0.234 62.895 63.100 0.048 0.000 0.781 249 P CB 1.418 33.119 31.700 0.001 0.000 0.906 250 S N 0.238 115.939 115.700 0.003 0.000 2.496 250 S HA 0.065 4.535 4.470 -0.000 0.000 0.224 250 S C 0.673 175.263 174.600 -0.018 0.000 0.996 250 S CA 0.412 58.606 58.200 -0.010 0.000 0.927 250 S CB -0.347 62.843 63.200 -0.016 0.000 0.774 250 S HN 0.519 nan 8.310 nan 0.000 0.524 251 T N 2.073 116.611 114.554 -0.026 0.000 2.921 251 T HA 0.552 4.902 4.350 -0.000 0.000 0.297 251 T C -0.774 173.917 174.700 -0.015 0.000 1.013 251 T CA -0.667 61.417 62.100 -0.027 0.000 0.990 251 T CB 1.493 70.324 68.868 -0.061 0.000 1.023 251 T HN 0.159 nan 8.240 nan 0.000 0.447 252 L N 3.319 124.544 121.223 0.003 0.000 2.357 252 L HA 0.787 5.127 4.340 -0.000 0.000 0.273 252 L C 0.343 177.229 176.870 0.025 0.000 1.080 252 L CA -0.947 53.903 54.840 0.016 0.000 0.803 252 L CB 1.131 43.207 42.059 0.027 0.000 1.174 252 L HN 0.429 nan 8.230 nan 0.000 0.443 253 V N -2.016 117.918 119.914 0.033 0.000 3.046 253 V HA 0.441 4.561 4.120 -0.000 0.000 0.316 253 V C 0.093 176.217 176.094 0.049 0.000 1.104 253 V CA -0.692 61.635 62.300 0.045 0.000 1.006 253 V CB 2.106 33.955 31.823 0.044 0.000 1.058 253 V HN 0.654 nan 8.190 nan 0.000 0.440 254 D N 0.605 121.040 120.400 0.057 0.000 2.137 254 D HA 0.085 4.725 4.640 -0.000 0.000 0.202 254 D C 0.403 176.724 176.300 0.035 0.000 0.970 254 D CA 1.590 55.619 54.000 0.050 0.000 0.837 254 D CB 0.562 41.395 40.800 0.056 0.000 0.981 254 D HN 0.405 nan 8.370 nan 0.000 0.475 255 V N 1.402 121.334 119.914 0.029 0.000 2.638 255 V HA 0.360 4.480 4.120 -0.000 0.000 0.306 255 V C -0.261 175.816 176.094 -0.028 0.000 1.052 255 V CA -0.673 61.624 62.300 -0.004 0.000 0.885 255 V CB 2.576 34.403 31.823 0.007 0.000 0.999 255 V HN -0.095 nan 8.190 nan 0.000 0.424 256 I N 5.395 125.913 120.570 -0.087 0.000 2.441 256 I HA 0.561 4.731 4.170 -0.000 0.000 0.295 256 I C -0.863 175.121 176.117 -0.221 0.000 0.994 256 I CA -0.513 60.711 61.300 -0.127 0.000 1.144 256 I CB 1.832 39.757 38.000 -0.125 0.000 1.314 256 I HN 0.333 nan 8.210 nan 0.000 0.445 257 L N 6.114 127.165 121.223 -0.287 0.000 2.406 257 L HA 0.865 5.205 4.340 -0.000 0.000 0.272 257 L C -0.660 175.700 176.870 -0.850 0.000 0.980 257 L CA -0.345 54.155 54.840 -0.566 0.000 0.831 257 L CB 1.886 43.705 42.059 -0.400 0.000 1.253 257 L HN 0.754 nan 8.230 nan 0.000 0.406 258 A N 2.563 124.752 122.820 -1.051 0.000 2.594 258 A HA 0.641 4.961 4.320 -0.000 0.000 0.296 258 A C -1.655 175.611 177.584 -0.530 0.000 1.061 258 A CA -0.592 51.003 52.037 -0.737 0.000 0.689 258 A CB 1.804 20.616 19.000 -0.314 0.000 1.280 258 A HN 0.546 nan 8.150 nan 0.000 0.406 259 N N 1.929 120.500 118.700 -0.216 0.000 2.696 259 N HA 0.550 5.290 4.740 -0.000 0.000 0.246 259 N C -2.956 172.333 175.510 -0.369 0.000 1.057 259 N CA -1.604 51.346 53.050 -0.167 0.000 0.867 259 N CB 1.260 39.787 38.487 0.066 0.000 1.141 259 N HN 0.332 nan 8.380 nan 0.000 0.517 260 P HA 0.251 nan 4.420 nan 0.000 0.272 260 P C -2.589 174.229 177.300 -0.804 0.000 1.240 260 P CA -0.878 61.774 63.100 -0.746 0.000 0.791 260 P CB -0.209 31.036 31.700 -0.759 0.000 0.978 261 P HA -0.011 nan 4.420 nan 0.000 0.265 261 P C -0.034 177.020 177.300 -0.410 0.000 1.193 261 P CA 0.389 63.181 63.100 -0.513 0.000 0.765 261 P CB 0.212 31.726 31.700 -0.309 0.000 0.823 262 F N 1.105 120.970 119.950 -0.141 0.000 2.743 262 F HA 0.187 4.714 4.527 -0.000 0.000 0.297 262 F C 1.979 177.735 175.800 -0.074 0.000 1.131 262 F CA 0.426 58.354 58.000 -0.121 0.000 1.426 262 F CB -0.652 38.264 39.000 -0.139 0.000 1.116 262 F HN 0.312 nan 8.300 nan 0.000 0.583 263 G N -0.357 108.504 108.800 0.102 0.000 2.511 263 G HA2 0.431 4.391 3.960 -0.000 0.000 0.316 263 G HA3 0.431 4.391 3.960 -0.000 0.000 0.316 263 G C -0.261 174.671 174.900 0.053 0.000 1.210 263 G CA -0.380 44.763 45.100 0.071 0.000 0.969 263 G HN 0.101 nan 8.290 nan 0.000 0.492 264 T N -1.956 112.628 114.554 0.050 0.000 2.898 264 T HA 0.290 4.640 4.350 -0.000 0.000 0.301 264 T C 0.590 175.326 174.700 0.059 0.000 1.049 264 T CA -0.493 61.639 62.100 0.053 0.000 1.095 264 T CB 0.980 69.874 68.868 0.043 0.000 0.976 264 T HN 0.571 nan 8.240 nan 0.000 0.539 265 R N 2.293 122.835 120.500 0.070 0.000 2.449 265 R HA 0.232 4.572 4.340 -0.000 0.000 0.296 265 R C -2.169 174.163 176.300 0.052 0.000 1.047 265 R CA -1.316 54.827 56.100 0.073 0.000 1.018 265 R CB -0.205 30.138 30.300 0.072 0.000 0.962 265 R HN 0.520 nan 8.270 nan 0.000 0.428 266 P HA 0.027 nan 4.420 nan 0.000 0.270 266 P C -1.233 176.087 177.300 0.033 0.000 1.223 266 P CA -0.184 62.941 63.100 0.041 0.000 0.785 266 P CB 0.698 32.424 31.700 0.044 0.000 0.923 267 A N 1.227 124.064 122.820 0.029 0.000 2.401 267 A HA 0.500 4.820 4.320 -0.000 0.000 0.259 267 A C 1.357 178.953 177.584 0.020 0.000 1.103 267 A CA 0.432 52.483 52.037 0.023 0.000 0.789 267 A CB -0.957 18.056 19.000 0.021 0.000 1.035 267 A HN 0.867 nan 8.150 nan 0.000 0.491 268 G N 1.575 110.385 108.800 0.016 0.000 2.176 268 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.253 268 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.253 268 G C 0.571 175.478 174.900 0.011 0.000 0.979 268 G CA 0.377 45.484 45.100 0.012 0.000 0.641 268 G HN 1.133 nan 8.290 nan 0.000 0.530 269 S N -0.385 115.324 115.700 0.015 0.000 2.568 269 S HA 0.389 4.859 4.470 -0.000 0.000 0.282 269 S C 0.898 175.499 174.600 0.003 0.000 1.338 269 S CA 0.189 58.396 58.200 0.012 0.000 1.045 269 S CB 1.914 65.126 63.200 0.020 0.000 0.873 269 S HN 1.273 nan 8.310 nan 0.000 0.516 270 V N 2.523 122.434 119.914 -0.005 0.000 2.788 270 V HA -0.039 4.081 4.120 -0.000 0.000 0.307 270 V C -0.104 175.979 176.094 -0.019 0.000 1.069 270 V CA 0.077 62.368 62.300 -0.015 0.000 1.173 270 V CB 0.233 32.042 31.823 -0.023 0.000 0.925 270 V HN 0.851 nan 8.190 nan 0.000 0.492 271 D N 5.623 126.011 120.400 -0.020 0.000 2.389 271 D HA 0.303 4.943 4.640 -0.000 0.000 0.247 271 D C 0.408 176.681 176.300 -0.044 0.000 1.128 271 D CA 0.312 54.298 54.000 -0.023 0.000 0.884 271 D CB 0.640 41.428 40.800 -0.019 0.000 1.194 271 D HN 0.705 nan 8.370 nan 0.000 0.441 272 I N -0.572 119.966 120.570 -0.052 0.000 2.662 272 I HA 0.461 4.631 4.170 -0.000 0.000 0.291 272 I C -0.342 175.705 176.117 -0.116 0.000 1.046 272 I CA -0.699 60.542 61.300 -0.098 0.000 1.361 272 I CB 1.168 39.096 38.000 -0.120 0.000 1.429 272 I HN 0.126 nan 8.210 nan 0.000 0.558 273 N N 4.007 122.608 118.700 -0.164 0.000 2.609 273 N HA 0.364 5.104 4.740 -0.000 0.000 0.268 273 N C -1.486 173.879 175.510 -0.242 0.000 1.106 273 N CA -0.609 52.347 53.050 -0.158 0.000 0.823 273 N CB 0.899 39.321 38.487 -0.108 0.000 1.263 273 N HN 0.538 nan 8.380 nan 0.000 0.533 274 R N 4.023 124.328 120.500 -0.326 0.000 2.629 274 R HA 0.331 4.671 4.340 -0.000 0.000 0.275 274 R C -2.069 174.037 176.300 -0.323 0.000 1.719 274 R CA -1.419 54.371 56.100 -0.516 0.000 1.472 274 R CB 1.252 30.784 30.300 -1.280 0.000 1.237 274 R HN 0.468 nan 8.270 nan 0.000 0.589 275 P HA -0.106 nan 4.420 nan 0.000 0.226 275 P C 0.746 178.012 177.300 -0.057 0.000 1.153 275 P CA 0.901 63.950 63.100 -0.084 0.000 0.777 275 P CB 0.337 32.000 31.700 -0.061 0.000 0.794 276 D N -1.761 118.580 120.400 -0.098 0.000 2.317 276 D HA -0.105 4.535 4.640 -0.000 0.000 0.211 276 D C 0.587 176.873 176.300 -0.023 0.000 0.966 276 D CA 0.168 54.137 54.000 -0.052 0.000 0.876 276 D CB -0.596 40.172 40.800 -0.054 0.000 0.927 276 D HN 0.030 nan 8.370 nan 0.000 0.519 277 F N 1.067 120.894 119.950 -0.203 0.000 2.496 277 F HA 0.053 4.580 4.527 -0.000 0.000 0.344 277 F C 1.304 176.961 175.800 -0.238 0.000 1.155 277 F CA -1.079 56.742 58.000 -0.297 0.000 1.302 277 F CB 0.188 39.100 39.000 -0.146 0.000 1.159 277 F HN -0.180 nan 8.300 nan 0.000 0.595 278 Y N 0.680 121.067 120.300 0.144 0.000 2.395 278 Y HA 0.205 4.755 4.550 -0.000 0.000 0.293 278 Y C 0.913 176.848 175.900 0.059 0.000 1.123 278 Y CA 0.500 58.641 58.100 0.069 0.000 1.227 278 Y CB -0.336 38.130 38.460 0.010 0.000 1.012 278 Y HN 0.168 nan 8.280 nan 0.000 0.552 279 V N 0.077 120.106 119.914 0.192 0.000 3.000 279 V HA 0.310 4.430 4.120 -0.000 0.000 0.300 279 V C -1.385 174.785 176.094 0.127 0.000 1.251 279 V CA -1.286 61.092 62.300 0.130 0.000 0.972 279 V CB 2.191 34.069 31.823 0.092 0.000 1.065 279 V HN 0.148 nan 8.190 nan 0.000 0.431 280 E N 3.651 123.916 120.200 0.108 0.000 2.316 280 E HA 0.612 4.962 4.350 -0.000 0.000 0.275 280 E C -0.556 176.087 176.600 0.072 0.000 1.029 280 E CA 0.401 56.863 56.400 0.104 0.000 0.871 280 E CB 1.337 31.080 29.700 0.071 0.000 1.022 280 E HN 0.861 nan 8.360 nan 0.000 0.418 281 T N 2.926 117.524 114.554 0.073 0.000 2.942 281 T HA 0.280 4.630 4.350 -0.000 0.000 0.327 281 T C -0.004 174.726 174.700 0.051 0.000 1.360 281 T CA -0.734 61.394 62.100 0.046 0.000 1.055 281 T CB 1.045 69.926 68.868 0.022 0.000 1.261 281 T HN 0.571 nan 8.240 nan 0.000 0.485 282 K N 1.564 121.987 120.400 0.039 0.000 2.365 282 K HA 0.129 4.449 4.320 -0.000 0.000 0.197 282 K C 0.955 177.579 176.600 0.040 0.000 1.042 282 K CA -0.072 56.239 56.287 0.040 0.000 0.987 282 K CB 0.073 32.593 32.500 0.033 0.000 0.779 282 K HN 0.395 nan 8.250 nan 0.000 0.484 283 N N 2.158 120.875 118.700 0.030 0.000 2.417 283 N HA -0.107 4.633 4.740 -0.000 0.000 0.272 283 N C 0.409 175.947 175.510 0.047 0.000 1.304 283 N CA 0.303 53.368 53.050 0.026 0.000 0.906 283 N CB 0.484 38.971 38.487 -0.000 0.000 1.135 283 N HN 0.075 nan 8.380 nan 0.000 0.483 284 N N 3.343 122.088 118.700 0.075 0.000 2.166 284 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 284 N C 0.966 176.597 175.510 0.200 0.000 1.019 284 N CA 1.562 54.696 53.050 0.141 0.000 0.856 284 N CB 0.236 38.812 38.487 0.149 0.000 0.993 284 N HN 0.531 nan 8.380 nan 0.000 0.426 285 Q N -0.070 119.800 119.800 0.117 0.000 2.137 285 Q HA 0.143 4.483 4.340 -0.000 0.000 0.198 285 Q C 2.098 178.138 176.000 0.066 0.000 0.960 285 Q CA 0.636 56.501 55.803 0.104 0.000 0.847 285 Q CB -0.221 28.544 28.738 0.045 0.000 0.915 285 Q HN 0.367 nan 8.270 nan 0.000 0.448 286 L N 0.516 121.741 121.223 0.004 0.000 2.083 286 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 286 L C 1.704 178.505 176.870 -0.114 0.000 1.083 286 L CA 0.887 55.694 54.840 -0.056 0.000 0.752 286 L CB -0.374 41.646 42.059 -0.065 0.000 0.899 286 L HN 0.327 nan 8.230 nan 0.000 0.433 287 N N -0.235 118.407 118.700 -0.097 0.000 2.142 287 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 287 N C 1.784 177.158 175.510 -0.226 0.000 1.023 287 N CA 1.279 54.183 53.050 -0.243 0.000 0.852 287 N CB -0.358 38.104 38.487 -0.042 0.000 0.998 287 N HN 0.166 nan 8.380 nan 0.000 0.424 288 F N 1.121 121.038 119.950 -0.056 0.000 2.161 288 F HA -0.140 4.387 4.527 -0.000 0.000 0.300 288 F C 2.185 177.977 175.800 -0.013 0.000 1.089 288 F CA 0.658 58.658 58.000 0.001 0.000 1.282 288 F CB -0.398 38.592 39.000 -0.018 0.000 1.010 288 F HN 0.022 nan 8.300 nan 0.000 0.485 289 L N 0.066 121.335 121.223 0.077 0.000 2.027 289 L HA -0.194 4.145 4.340 -0.000 0.000 0.206 289 L C 2.231 179.055 176.870 -0.077 0.000 1.074 289 L CA 1.767 56.606 54.840 -0.001 0.000 0.745 289 L CB -1.021 41.001 42.059 -0.061 0.000 0.898 289 L HN 0.152 nan 8.230 nan 0.000 0.433 290 Q N -0.972 118.707 119.800 -0.201 0.000 2.030 290 Q HA -0.239 4.100 4.340 -0.000 0.000 0.204 290 Q C 0.896 176.770 176.000 -0.211 0.000 0.986 290 Q CA 1.550 57.174 55.803 -0.298 0.000 0.843 290 Q CB -0.552 27.677 28.738 -0.848 0.000 0.904 290 Q HN 0.644 nan 8.270 nan 0.000 0.420 297 K N 0.272 120.716 120.400 0.073 0.000 2.286 297 K HA 0.263 4.583 4.320 -0.000 0.000 0.256 297 K C -0.225 176.405 176.600 0.051 0.000 0.999 297 K CA -0.218 56.101 56.287 0.053 0.000 0.908 297 K CB 0.444 32.969 32.500 0.042 0.000 0.981 297 K HN 0.465 nan 8.250 nan 0.000 0.500 298 T N 0.935 115.504 114.554 0.024 0.000 2.888 298 T HA 0.185 4.535 4.350 -0.000 0.000 0.301 298 T C 1.164 175.876 174.700 0.019 0.000 1.001 298 T CA 0.838 62.940 62.100 0.003 0.000 1.147 298 T CB 0.658 69.519 68.868 -0.012 0.000 0.931 298 T HN 0.838 nan 8.240 nan 0.000 0.541 299 G N 2.664 111.479 108.800 0.026 0.000 2.225 299 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.254 299 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.254 299 G C 0.576 175.515 174.900 0.065 0.000 0.988 299 G CA -0.070 45.056 45.100 0.043 0.000 0.625 299 G HN 1.133 nan 8.290 nan 0.000 0.527 300 G N 0.066 108.910 108.800 0.072 0.000 2.636 300 G HA2 0.603 4.563 3.960 -0.000 0.000 0.246 300 G HA3 0.603 4.563 3.960 -0.000 0.000 0.246 300 G C 0.240 175.194 174.900 0.089 0.000 1.216 300 G CA 0.380 45.525 45.100 0.074 0.000 0.854 300 G HN 1.202 nan 8.290 nan 0.000 0.572 301 R N -0.910 119.613 120.500 0.039 0.000 2.808 301 R HA 0.786 5.126 4.340 -0.000 0.000 0.272 301 R C -1.150 175.051 176.300 -0.165 0.000 0.995 301 R CA -0.932 55.159 56.100 -0.015 0.000 0.917 301 R CB 1.828 32.179 30.300 0.084 0.000 1.217 301 R HN 0.802 nan 8.270 nan 0.000 0.471 302 A N 0.935 123.506 122.820 -0.415 0.000 2.475 302 A HA 0.839 5.159 4.320 -0.000 0.000 0.301 302 A C -1.392 175.904 177.584 -0.480 0.000 1.059 302 A CA -0.575 51.129 52.037 -0.555 0.000 0.710 302 A CB 2.109 20.525 19.000 -0.973 0.000 1.288 302 A HN 0.961 nan 8.150 nan 0.000 0.408 303 A N 1.070 123.647 122.820 -0.404 0.000 2.335 303 A HA 0.736 5.056 4.320 -0.000 0.000 0.304 303 A C -0.576 176.715 177.584 -0.489 0.000 1.118 303 A CA -0.158 51.540 52.037 -0.564 0.000 0.757 303 A CB 0.912 19.591 19.000 -0.535 0.000 1.188 303 A HN 2.247 nan 8.150 nan 0.000 0.460 304 V N 0.479 120.147 119.914 -0.411 0.000 2.808 304 V HA 0.782 4.902 4.120 -0.000 0.000 0.308 304 V C -0.682 175.320 176.094 -0.154 0.000 1.099 304 V CA -0.835 61.309 62.300 -0.260 0.000 0.920 304 V CB 1.351 33.095 31.823 -0.131 0.000 1.014 304 V HN 0.632 nan 8.190 nan 0.000 0.425 305 V N 5.671 125.531 119.914 -0.089 0.000 2.406 305 V HA 0.592 4.712 4.120 -0.000 0.000 0.272 305 V C 0.010 176.149 176.094 0.074 0.000 1.043 305 V CA -0.116 62.217 62.300 0.055 0.000 0.915 305 V CB 0.765 32.695 31.823 0.178 0.000 0.988 305 V HN 0.798 nan 8.190 nan 0.000 0.466 306 L N 6.923 128.221 121.223 0.125 0.000 2.376 306 L HA 0.628 4.968 4.340 -0.000 0.000 0.258 306 L C -2.517 174.425 176.870 0.119 0.000 1.013 306 L CA -1.891 53.026 54.840 0.129 0.000 0.822 306 L CB 3.475 45.557 42.059 0.038 0.000 1.388 306 L HN 0.391 nan 8.230 nan 0.000 0.413 307 P HA 0.143 nan 4.420 nan 0.000 0.278 307 P C -0.584 176.666 177.300 -0.083 0.000 1.258 307 P CA -0.314 62.751 63.100 -0.058 0.000 0.811 307 P CB 1.178 32.835 31.700 -0.071 0.000 1.063 308 D N 0.128 120.486 120.400 -0.070 0.000 2.158 308 D HA -0.200 4.440 4.640 -0.000 0.000 0.197 308 D C 1.718 177.774 176.300 -0.406 0.000 0.995 308 D CA 1.155 55.133 54.000 -0.038 0.000 0.846 308 D CB -0.690 40.212 40.800 0.171 0.000 0.941 308 D HN 0.505 nan 8.370 nan 0.000 0.456 309 N N 0.862 119.200 118.700 -0.605 0.000 2.094 309 N HA -0.169 4.571 4.740 -0.000 0.000 0.191 309 N C 1.759 176.788 175.510 -0.801 0.000 1.023 309 N CA 1.179 53.535 53.050 -1.156 0.000 0.857 309 N CB -0.190 38.021 38.487 -0.460 0.000 1.013 309 N HN 0.055 nan 8.380 nan 0.000 0.426 310 V N 1.645 121.322 119.914 -0.394 0.000 2.469 310 V HA -0.202 3.918 4.120 -0.000 0.000 0.251 310 V C 2.398 178.362 176.094 -0.217 0.000 1.064 310 V CA 1.282 63.439 62.300 -0.238 0.000 1.066 310 V CB -0.387 31.359 31.823 -0.128 0.000 0.667 310 V HN 0.331 nan 8.190 nan 0.000 0.461 311 L N -0.822 120.271 121.223 -0.216 0.000 2.313 311 L HA -0.013 4.327 4.340 -0.000 0.000 0.214 311 L C 2.097 178.965 176.870 -0.004 0.000 1.119 311 L CA 1.119 55.918 54.840 -0.069 0.000 0.809 311 L CB -0.392 41.695 42.059 0.047 0.000 0.933 311 L HN 0.572 nan 8.230 nan 0.000 0.449 312 F N -1.810 118.141 119.950 0.003 0.000 2.752 312 F HA 0.348 4.874 4.527 -0.000 0.000 0.310 312 F C 0.900 176.695 175.800 -0.009 0.000 1.097 312 F CA -0.984 57.013 58.000 -0.005 0.000 1.238 312 F CB -0.438 38.558 39.000 -0.007 0.000 1.061 312 F HN -0.176 nan 8.300 nan 0.000 0.591 313 E N 2.331 122.501 120.200 -0.049 0.000 2.376 313 E HA 0.399 4.749 4.350 -0.000 0.000 0.266 313 E C 0.131 176.771 176.600 0.066 0.000 1.009 313 E CA -0.107 56.336 56.400 0.072 0.000 0.902 313 E CB 0.892 30.542 29.700 -0.083 0.000 0.972 313 E HN 0.423 nan 8.360 nan 0.000 0.439 314 A N 3.291 126.166 122.820 0.091 0.000 2.313 314 A HA 0.618 4.938 4.320 -0.000 0.000 0.261 314 A C 0.870 178.472 177.584 0.030 0.000 1.090 314 A CA 0.439 52.507 52.037 0.052 0.000 0.807 314 A CB 0.392 19.422 19.000 0.051 0.000 1.055 314 A HN 0.956 nan 8.150 nan 0.000 0.492 315 G N -0.363 108.449 108.800 0.020 0.000 2.603 315 G HA2 0.135 4.094 3.960 -0.000 0.000 0.245 315 G HA3 0.135 4.094 3.960 -0.000 0.000 0.245 315 G C 1.369 176.273 174.900 0.007 0.000 1.195 315 G CA 1.409 46.518 45.100 0.015 0.000 0.953 315 G HN 2.053 nan 8.290 nan 0.000 0.566 316 A N -0.005 122.819 122.820 0.008 0.000 1.958 316 A HA 0.116 4.436 4.320 -0.000 0.000 0.221 316 A C 3.013 180.586 177.584 -0.018 0.000 1.178 316 A CA 3.433 55.471 52.037 0.002 0.000 0.642 316 A CB -1.301 17.702 19.000 0.005 0.000 0.816 316 A HN 2.318 nan 8.150 nan 0.000 0.453 317 G N -0.709 108.075 108.800 -0.026 0.000 2.418 317 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 317 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 317 G C 1.473 176.343 174.900 -0.049 0.000 1.158 317 G CA 1.193 46.263 45.100 -0.051 0.000 0.771 317 G HN 0.709 nan 8.290 nan 0.000 0.545 318 E N -0.133 120.050 120.200 -0.027 0.000 2.072 318 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 318 E C 2.530 179.105 176.600 -0.041 0.000 0.985 318 E CA 1.536 57.921 56.400 -0.026 0.000 0.801 318 E CB -0.242 29.454 29.700 -0.007 0.000 0.750 318 E HN 0.328 nan 8.360 nan 0.000 0.452 319 T N 1.064 115.598 114.554 -0.034 0.000 2.665 319 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 319 T C 1.847 176.494 174.700 -0.088 0.000 1.035 319 T CA 1.654 63.730 62.100 -0.039 0.000 1.151 319 T CB -0.239 68.626 68.868 -0.006 0.000 0.862 319 T HN 0.194 nan 8.240 nan 0.000 0.438 320 I N 0.388 120.902 120.570 -0.093 0.000 2.252 320 I HA -0.139 4.031 4.170 -0.000 0.000 0.245 320 I C 2.788 178.784 176.117 -0.202 0.000 1.102 320 I CA 1.239 62.443 61.300 -0.159 0.000 1.385 320 I CB -0.284 37.650 38.000 -0.110 0.000 1.064 320 I HN 0.119 nan 8.210 nan 0.000 0.414 321 R N 0.773 121.187 120.500 -0.144 0.000 2.096 321 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 321 R C 2.287 178.519 176.300 -0.114 0.000 1.127 321 R CA 1.218 57.239 56.100 -0.133 0.000 0.968 321 R CB -0.274 29.977 30.300 -0.082 0.000 0.861 321 R HN 0.340 nan 8.270 nan 0.000 0.440 322 K N 0.095 120.438 120.400 -0.095 0.000 2.032 322 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 322 K C 2.192 178.729 176.600 -0.105 0.000 1.048 322 K CA 1.314 57.554 56.287 -0.078 0.000 0.927 322 K CB -0.108 32.356 32.500 -0.059 0.000 0.712 322 K HN -0.095 nan 8.250 nan 0.000 0.441 323 R N 1.273 121.664 120.500 -0.181 0.000 2.075 323 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 323 R C 2.034 178.253 176.300 -0.135 0.000 1.126 323 R CA 1.032 56.986 56.100 -0.244 0.000 0.963 323 R CB -0.747 29.198 30.300 -0.592 0.000 0.858 323 R HN 0.095 nan 8.270 nan 0.000 0.435 324 L N 0.244 121.338 121.223 -0.214 0.000 2.012 324 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 324 L C 1.950 178.811 176.870 -0.014 0.000 1.073 324 L CA 1.765 56.468 54.840 -0.228 0.000 0.748 324 L CB -0.518 41.296 42.059 -0.410 0.000 0.891 324 L HN 0.269 nan 8.230 nan 0.000 0.431 325 L N -1.434 119.770 121.223 -0.032 0.000 2.141 325 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 325 L C 2.501 179.395 176.870 0.041 0.000 1.094 325 L CA 0.875 55.724 54.840 0.015 0.000 0.763 325 L CB -0.484 41.575 42.059 -0.000 0.000 0.908 325 L HN 0.358 nan 8.230 nan 0.000 0.437 326 Q N 0.412 120.228 119.800 0.027 0.000 2.008 326 Q HA -0.139 4.201 4.340 -0.000 0.000 0.196 326 Q C 1.340 177.348 176.000 0.014 0.000 0.973 326 Q CA 1.718 57.529 55.803 0.014 0.000 0.826 326 Q CB 0.066 28.797 28.738 -0.012 0.000 0.894 326 Q HN 0.311 nan 8.270 nan 0.000 0.439 327 D N -1.299 119.117 120.400 0.027 0.000 2.349 327 D HA 0.184 4.824 4.640 -0.000 0.000 0.214 327 D C -0.621 175.453 176.300 -0.377 0.000 1.063 327 D CA 0.209 54.122 54.000 -0.145 0.000 0.847 327 D CB 0.399 41.080 40.800 -0.199 0.000 0.933 327 D HN 0.076 nan 8.370 nan 0.000 0.513 328 F N -0.154 119.797 119.950 0.001 0.000 2.629 328 F HA 0.346 4.873 4.527 -0.000 0.000 0.316 328 F C 0.161 176.003 175.800 0.070 0.000 1.081 328 F CA -1.396 56.639 58.000 0.059 0.000 0.954 328 F CB 1.047 40.060 39.000 0.021 0.000 1.337 328 F HN -0.431 nan 8.300 nan 0.000 0.474 329 N N 1.963 120.872 118.700 0.348 0.000 2.707 329 N HA 0.229 4.969 4.740 -0.000 0.000 0.235 329 N C -1.348 174.321 175.510 0.265 0.000 1.028 329 N CA -0.370 52.846 53.050 0.275 0.000 0.906 329 N CB 0.634 39.296 38.487 0.291 0.000 1.131 329 N HN 0.596 nan 8.380 nan 0.000 0.509 330 L N 4.769 126.094 121.223 0.169 0.000 2.382 330 L HA 0.237 4.577 4.340 -0.000 0.000 0.259 330 L C 0.807 177.728 176.870 0.086 0.000 1.291 330 L CA 0.138 55.028 54.840 0.083 0.000 1.176 330 L CB -0.711 41.352 42.059 0.006 0.000 1.373 330 L HN 0.580 nan 8.230 nan 0.000 0.426 331 H N -0.633 118.580 119.070 0.239 0.000 2.535 331 H HA 0.314 4.870 4.556 -0.000 0.000 0.273 331 H C -0.178 175.285 175.328 0.225 0.000 0.983 331 H CA 0.260 56.435 56.048 0.211 0.000 1.238 331 H CB -0.123 29.723 29.762 0.140 0.000 1.412 331 H HN 0.397 nan 8.280 nan 0.000 0.562 332 T N 1.225 115.927 114.554 0.246 0.000 3.071 332 T HA 0.507 4.857 4.350 -0.000 0.000 0.311 332 T C -0.749 174.171 174.700 0.366 0.000 1.042 332 T CA -0.644 61.693 62.100 0.395 0.000 1.028 332 T CB 1.775 70.932 68.868 0.482 0.000 1.068 332 T HN 0.166 nan 8.240 nan 0.000 0.451 333 I N 3.398 124.081 120.570 0.187 0.000 2.466 333 I HA 0.430 4.600 4.170 -0.000 0.000 0.289 333 I C -1.071 175.266 176.117 0.366 0.000 1.026 333 I CA -1.098 60.292 61.300 0.149 0.000 1.078 333 I CB 1.996 39.834 38.000 -0.271 0.000 1.249 333 I HN 0.362 nan 8.210 nan 0.000 0.429 334 L N 7.563 129.025 121.223 0.399 0.000 2.265 334 L HA 0.471 4.811 4.340 -0.000 0.000 0.289 334 L C -0.183 176.846 176.870 0.265 0.000 1.033 334 L CA -0.241 54.774 54.840 0.293 0.000 0.814 334 L CB 0.424 42.444 42.059 -0.065 0.000 1.203 334 L HN 0.424 nan 8.230 nan 0.000 0.423 335 R N 6.306 127.004 120.500 0.330 0.000 2.216 335 R HA 0.361 4.701 4.340 -0.000 0.000 0.332 335 R C -0.701 175.734 176.300 0.225 0.000 1.056 335 R CA -0.467 55.785 56.100 0.255 0.000 0.901 335 R CB 0.257 30.698 30.300 0.235 0.000 1.039 335 R HN 0.675 nan 8.270 nan 0.000 0.456 336 L N 5.428 126.764 121.223 0.189 0.000 2.395 336 L HA 0.337 4.677 4.340 -0.000 0.000 0.269 336 L C -1.637 175.315 176.870 0.137 0.000 1.133 336 L CA -1.888 53.070 54.840 0.196 0.000 0.812 336 L CB 1.000 43.201 42.059 0.237 0.000 1.125 336 L HN 0.269 nan 8.230 nan 0.000 0.452 337 P HA 0.089 nan 4.420 nan 0.000 0.274 337 P C -0.525 176.803 177.300 0.047 0.000 1.237 337 P CA -0.414 62.694 63.100 0.013 0.000 0.793 337 P CB 0.634 32.317 31.700 -0.028 0.000 0.977 338 T N 0.471 115.031 114.554 0.010 0.000 2.900 338 T HA 0.390 4.740 4.350 -0.000 0.000 0.307 338 T C 1.147 175.857 174.700 0.018 0.000 1.065 338 T CA 1.549 63.660 62.100 0.017 0.000 1.105 338 T CB -0.330 68.527 68.868 -0.019 0.000 0.979 338 T HN 0.813 nan 8.240 nan 0.000 0.544 339 G N 1.318 110.133 108.800 0.026 0.000 2.140 339 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.211 339 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.211 339 G C 0.511 175.408 174.900 -0.006 0.000 1.013 339 G CA 0.305 45.414 45.100 0.015 0.000 0.705 339 G HN 0.897 nan 8.290 nan 0.000 0.508 340 I N -4.790 115.747 120.570 -0.055 0.000 4.624 340 I HA 0.606 4.776 4.170 -0.000 0.000 0.327 340 I C 0.565 176.508 176.117 -0.290 0.000 1.295 340 I CA -0.557 60.609 61.300 -0.222 0.000 1.267 340 I CB 0.270 38.047 38.000 -0.371 0.000 1.249 340 I HN -0.057 nan 8.210 nan 0.000 0.440 341 F N 1.460 121.451 119.950 0.067 0.000 2.403 341 F HA 0.369 4.896 4.527 -0.000 0.000 0.326 341 F C 1.560 177.440 175.800 0.135 0.000 1.081 341 F CA -0.768 57.326 58.000 0.158 0.000 1.041 341 F CB 0.421 39.512 39.000 0.152 0.000 1.234 341 F HN 0.054 nan 8.300 nan 0.000 0.503 342 Y N 1.229 121.689 120.300 0.267 0.000 2.002 342 Y HA -0.145 4.404 4.550 -0.000 0.000 0.268 342 Y C 1.109 177.066 175.900 0.095 0.000 1.177 342 Y CA 0.360 58.541 58.100 0.135 0.000 1.111 342 Y CB -1.598 36.928 38.460 0.111 0.000 0.952 342 Y HN 0.362 nan 8.280 nan 0.000 0.491 343 A N 2.822 125.076 122.820 -0.943 0.000 2.527 343 A HA 0.237 4.557 4.320 -0.000 0.000 0.313 343 A C 0.086 177.452 177.584 -0.362 0.000 1.410 343 A CA -0.650 50.951 52.037 -0.728 0.000 1.060 343 A CB -0.545 17.799 19.000 -1.093 0.000 1.137 343 A HN 0.654 nan 8.150 nan 0.000 0.542 344 Q N 0.539 120.240 119.800 -0.164 0.000 2.697 344 Q HA 0.391 4.731 4.340 -0.000 0.000 0.196 344 Q C 1.471 177.402 176.000 -0.114 0.000 1.121 344 Q CA 0.613 56.367 55.803 -0.081 0.000 1.151 344 Q CB 0.226 28.941 28.738 -0.038 0.000 1.250 344 Q HN 1.323 nan 8.270 nan 0.000 0.658 345 G N -1.242 107.511 108.800 -0.077 0.000 2.550 345 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.233 345 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.233 345 G C 0.225 175.057 174.900 -0.114 0.000 1.170 345 G CA 0.128 45.174 45.100 -0.088 0.000 0.693 345 G HN 0.491 nan 8.290 nan 0.000 0.512 346 V N 3.108 122.915 119.914 -0.178 0.000 2.703 346 V HA 0.042 4.162 4.120 -0.000 0.000 0.300 346 V C 0.894 176.858 176.094 -0.216 0.000 1.063 346 V CA 1.194 63.303 62.300 -0.319 0.000 1.240 346 V CB 0.395 31.859 31.823 -0.598 0.000 0.845 346 V HN 0.424 nan 8.190 nan 0.000 0.476 347 K N 5.275 125.551 120.400 -0.207 0.000 2.263 347 K HA 0.649 4.969 4.320 -0.000 0.000 0.282 347 K C 0.037 176.541 176.600 -0.160 0.000 1.089 347 K CA 0.032 56.252 56.287 -0.111 0.000 0.907 347 K CB 1.292 33.770 32.500 -0.038 0.000 1.148 347 K HN 0.769 nan 8.250 nan 0.000 0.470 348 A N 3.861 126.629 122.820 -0.088 0.000 2.435 348 A HA 0.684 5.004 4.320 -0.000 0.000 0.296 348 A C -0.855 176.787 177.584 0.096 0.000 1.147 348 A CA -0.883 51.119 52.037 -0.059 0.000 0.775 348 A CB 1.292 20.203 19.000 -0.148 0.000 1.340 348 A HN 0.744 nan 8.150 nan 0.000 0.427 349 N N -0.836 117.939 118.700 0.125 0.000 2.484 349 N HA 0.441 5.181 4.740 -0.000 0.000 0.269 349 N C -1.828 173.754 175.510 0.120 0.000 1.237 349 N CA -0.433 52.700 53.050 0.139 0.000 0.838 349 N CB 2.122 40.684 38.487 0.125 0.000 1.593 349 N HN 0.338 nan 8.380 nan 0.000 0.485 350 V N 1.814 121.790 119.914 0.104 0.000 2.398 350 V HA 0.447 4.567 4.120 -0.000 0.000 0.286 350 V C -0.422 175.673 176.094 0.001 0.000 1.026 350 V CA -0.665 61.619 62.300 -0.026 0.000 0.868 350 V CB 1.152 32.905 31.823 -0.118 0.000 0.982 350 V HN 0.418 nan 8.190 nan 0.000 0.443 351 L N 5.712 126.886 121.223 -0.082 0.000 2.296 351 L HA 0.605 4.944 4.340 -0.000 0.000 0.286 351 L C -0.640 176.190 176.870 -0.067 0.000 1.023 351 L CA 0.154 55.032 54.840 0.063 0.000 0.812 351 L CB 1.044 43.182 42.059 0.131 0.000 1.223 351 L HN 0.425 nan 8.230 nan 0.000 0.421 352 F N 4.796 124.838 119.950 0.153 0.000 2.449 352 F HA 0.699 5.226 4.527 -0.000 0.000 0.342 352 F C -0.182 175.537 175.800 -0.135 0.000 1.127 352 F CA -0.756 57.269 58.000 0.041 0.000 0.975 352 F CB 1.166 40.324 39.000 0.263 0.000 1.146 352 F HN 0.300 nan 8.300 nan 0.000 0.444 353 F N -0.182 119.754 119.950 -0.022 0.000 2.654 353 F HA 0.820 5.347 4.527 -0.000 0.000 0.308 353 F C -0.851 175.039 175.800 0.151 0.000 1.108 353 F CA -1.354 56.608 58.000 -0.063 0.000 0.957 353 F CB 1.139 40.124 39.000 -0.025 0.000 1.309 353 F HN 0.347 nan 8.300 nan 0.000 0.446 354 S N 0.741 116.692 115.700 0.418 0.000 2.664 354 S HA 0.643 5.113 4.470 -0.000 0.000 0.304 354 S C -1.113 173.781 174.600 0.490 0.000 1.099 354 S CA -1.033 57.386 58.200 0.366 0.000 1.003 354 S CB 2.028 65.397 63.200 0.282 0.000 1.092 354 S HN 0.948 nan 8.310 nan 0.000 0.525 355 K N -0.379 120.205 120.400 0.307 0.000 2.185 355 K HA 0.593 4.913 4.320 -0.000 0.000 0.269 355 K C 0.806 177.344 176.600 -0.103 0.000 0.987 355 K CA 0.197 56.492 56.287 0.012 0.000 0.865 355 K CB 0.591 33.128 32.500 0.062 0.000 1.090 355 K HN 1.050 nan 8.250 nan 0.000 0.450 356 G N 2.470 111.112 108.800 -0.264 0.000 3.151 356 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.197 356 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.197 356 G C -0.666 174.178 174.900 -0.094 0.000 1.682 356 G CA -0.606 44.403 45.100 -0.151 0.000 1.205 356 G HN 0.525 nan 8.290 nan 0.000 0.510 357 Q N 2.209 121.996 119.800 -0.021 0.000 2.259 357 Q HA 0.542 4.882 4.340 -0.000 0.000 0.249 357 Q C -2.306 173.715 176.000 0.036 0.000 0.914 357 Q CA -1.877 53.936 55.803 0.016 0.000 0.904 357 Q CB 1.277 30.046 28.738 0.052 0.000 1.213 357 Q HN 0.308 nan 8.270 nan 0.000 0.428 358 P HA 0.086 nan 4.420 nan 0.000 0.272 358 P C -0.606 176.744 177.300 0.084 0.000 1.240 358 P CA -0.160 62.970 63.100 0.050 0.000 0.791 358 P CB 0.438 32.156 31.700 0.031 0.000 0.978 359 T N 0.899 115.507 114.554 0.090 0.000 2.794 359 T HA 0.125 4.475 4.350 -0.000 0.000 0.296 359 T C 1.191 175.940 174.700 0.082 0.000 0.949 359 T CA -0.200 61.964 62.100 0.106 0.000 1.101 359 T CB 0.420 69.346 68.868 0.096 0.000 0.905 359 T HN 0.144 nan 8.240 nan 0.000 0.516 360 K N 2.158 122.613 120.400 0.092 0.000 2.365 360 K HA 0.244 4.564 4.320 -0.000 0.000 0.195 360 K C 0.496 177.132 176.600 0.060 0.000 1.079 360 K CA 0.348 56.675 56.287 0.067 0.000 0.979 360 K CB 0.529 33.067 32.500 0.063 0.000 0.929 360 K HN 0.759 nan 8.250 nan 0.000 0.523 361 E N -0.696 119.559 120.200 0.092 0.000 2.366 361 E HA 0.504 4.854 4.350 -0.000 0.000 0.278 361 E C -1.352 175.322 176.600 0.122 0.000 0.923 361 E CA -0.510 55.922 56.400 0.053 0.000 0.761 361 E CB 2.592 32.300 29.700 0.013 0.000 1.231 361 E HN 0.058 nan 8.360 nan 0.000 0.443 362 I N 1.576 122.191 120.570 0.076 0.000 2.447 362 I HA 0.353 4.523 4.170 -0.000 0.000 0.287 362 I C -1.158 175.013 176.117 0.089 0.000 1.023 362 I CA -0.733 60.649 61.300 0.136 0.000 1.083 362 I CB 1.042 39.119 38.000 0.129 0.000 1.245 362 I HN 0.368 nan 8.210 nan 0.000 0.434 363 W N 6.036 127.294 121.300 -0.070 0.000 2.335 363 W HA 0.469 5.129 4.660 -0.000 0.000 0.307 363 W C -0.583 175.893 176.519 -0.072 0.000 1.117 363 W CA -0.261 56.939 57.345 -0.240 0.000 1.228 363 W CB 0.621 29.677 29.460 -0.673 0.000 1.240 363 W HN 0.179 nan 8.180 nan 0.000 0.468 364 F N 3.242 123.369 119.950 0.295 0.000 2.420 364 F HA 0.267 4.794 4.527 -0.000 0.000 0.342 364 F C -0.363 175.977 175.800 0.900 0.000 1.113 364 F CA -1.203 57.148 58.000 0.585 0.000 1.059 364 F CB 0.765 40.138 39.000 0.622 0.000 1.128 364 F HN 0.181 nan 8.300 nan 0.000 0.475 365 Y N 3.127 124.030 120.300 1.004 0.000 2.334 365 Y HA 0.271 4.821 4.550 -0.000 0.000 0.336 365 Y C -0.453 175.803 175.900 0.594 0.000 0.960 365 Y CA -1.005 57.656 58.100 0.935 0.000 1.164 365 Y CB 0.706 39.693 38.460 0.878 0.000 1.155 365 Y HN 0.475 nan 8.280 nan 0.000 0.478 366 D N 4.965 125.525 120.400 0.267 0.000 2.393 366 D HA 0.005 4.645 4.640 -0.000 0.000 0.232 366 D C -0.857 175.550 176.300 0.177 0.000 1.192 366 D CA 0.169 54.228 54.000 0.097 0.000 0.882 366 D CB 0.162 40.772 40.800 -0.317 0.000 1.038 366 D HN 0.604 nan 8.370 nan 0.000 0.499 367 Y N 4.245 124.688 120.300 0.238 0.000 2.801 367 Y HA 0.273 4.823 4.550 -0.000 0.000 0.318 367 Y C 1.276 177.249 175.900 0.122 0.000 1.073 367 Y CA -0.232 58.016 58.100 0.246 0.000 1.360 367 Y CB 0.048 38.718 38.460 0.350 0.000 1.220 367 Y HN 0.426 nan 8.280 nan 0.000 0.536 368 R N -1.360 119.120 120.500 -0.033 0.000 2.197 368 R HA 0.189 4.529 4.340 -0.000 0.000 0.188 368 R C 0.083 176.297 176.300 -0.144 0.000 1.015 368 R CA 0.527 56.569 56.100 -0.097 0.000 1.132 368 R CB 0.225 30.510 30.300 -0.025 0.000 1.134 368 R HN 0.127 nan 8.270 nan 0.000 0.560 369 T N 2.677 117.147 114.554 -0.139 0.000 2.834 369 T HA 0.058 4.408 4.350 -0.000 0.000 0.298 369 T C -0.544 174.072 174.700 -0.140 0.000 0.966 369 T CA 0.322 62.335 62.100 -0.145 0.000 1.141 369 T CB 0.793 69.549 68.868 -0.186 0.000 0.905 369 T HN 0.326 nan 8.240 nan 0.000 0.535 370 D N 0.717 121.042 120.400 -0.125 0.000 2.945 370 D HA -0.141 4.499 4.640 -0.000 0.000 0.225 370 D C -0.254 175.952 176.300 -0.156 0.000 1.158 370 D CA 0.740 54.671 54.000 -0.114 0.000 0.805 370 D CB -0.792 39.961 40.800 -0.080 0.000 1.098 370 D HN 0.382 nan 8.370 nan 0.000 0.426 371 I N 0.040 120.475 120.570 -0.225 0.000 2.412 371 I HA 0.285 4.455 4.170 -0.000 0.000 0.296 371 I C 0.510 176.418 176.117 -0.347 0.000 0.987 371 I CA -0.469 60.615 61.300 -0.360 0.000 1.180 371 I CB 1.795 39.427 38.000 -0.613 0.000 1.340 371 I HN -0.226 nan 8.210 nan 0.000 0.455 372 K N 5.386 125.520 120.400 -0.443 0.000 2.626 372 K HA 0.414 4.734 4.320 -0.000 0.000 0.223 372 K C -0.869 175.447 176.600 -0.473 0.000 0.992 372 K CA -0.445 55.640 56.287 -0.338 0.000 1.024 372 K CB 1.039 33.411 32.500 -0.214 0.000 1.225 372 K HN 0.436 nan 8.250 nan 0.000 0.498 373 H N 0.321 119.297 119.070 -0.156 0.000 2.573 373 H HA 0.529 5.085 4.556 -0.000 0.000 0.351 373 H C 0.137 175.413 175.328 -0.086 0.000 1.163 373 H CA -0.514 55.454 56.048 -0.134 0.000 1.205 373 H CB 2.345 32.011 29.762 -0.160 0.000 1.605 373 H HN 0.637 nan 8.280 nan 0.000 0.525 374 T N -1.086 113.512 114.554 0.072 0.000 2.812 374 T HA 0.207 4.557 4.350 -0.000 0.000 0.294 374 T C 0.533 175.253 174.700 0.033 0.000 1.159 374 T CA -0.763 61.357 62.100 0.033 0.000 1.008 374 T CB 1.099 69.973 68.868 0.011 0.000 1.289 374 T HN 0.144 nan 8.240 nan 0.000 0.514 375 L N 1.008 122.243 121.223 0.020 0.000 2.291 375 L HA 0.368 4.708 4.340 -0.000 0.000 0.214 375 L C 2.564 179.447 176.870 0.021 0.000 1.120 375 L CA 2.052 56.904 54.840 0.019 0.000 0.799 375 L CB -1.181 40.890 42.059 0.020 0.000 0.925 375 L HN 0.957 nan 8.230 nan 0.000 0.446 376 A N -2.114 120.718 122.820 0.020 0.000 1.993 376 A HA 0.222 4.542 4.320 -0.000 0.000 0.207 376 A C 1.150 178.751 177.584 0.028 0.000 1.224 376 A CA 0.862 52.911 52.037 0.020 0.000 0.749 376 A CB -0.126 18.881 19.000 0.012 0.000 0.884 376 A HN 0.362 nan 8.150 nan 0.000 0.467 377 T N -3.618 110.954 114.554 0.030 0.000 2.916 377 T HA 0.460 4.810 4.350 -0.000 0.000 0.292 377 T C -0.132 174.599 174.700 0.053 0.000 1.055 377 T CA -0.125 61.998 62.100 0.038 0.000 1.009 377 T CB 1.171 70.053 68.868 0.024 0.000 1.118 377 T HN 0.214 nan 8.240 nan 0.000 0.497 378 N N 0.934 119.678 118.700 0.073 0.000 2.700 378 N HA -0.194 4.546 4.740 -0.000 0.000 0.265 378 N C -0.197 175.422 175.510 0.182 0.000 0.975 378 N CA 0.772 53.892 53.050 0.117 0.000 0.800 378 N CB -0.983 37.528 38.487 0.040 0.000 0.908 378 N HN 0.839 nan 8.380 nan 0.000 0.551 379 K N 0.322 120.806 120.400 0.141 0.000 2.485 379 K HA 0.032 4.352 4.320 -0.000 0.000 0.277 379 K C 0.245 176.882 176.600 0.062 0.000 0.990 379 K CA -0.437 55.904 56.287 0.091 0.000 0.994 379 K CB 0.289 32.832 32.500 0.072 0.000 0.906 379 K HN 0.320 nan 8.250 nan 0.000 0.488 380 L N 4.250 125.380 121.223 -0.155 0.000 2.462 380 L HA 0.107 4.447 4.340 -0.000 0.000 0.272 380 L C -0.557 176.285 176.870 -0.046 0.000 1.166 380 L CA 0.979 55.611 54.840 -0.346 0.000 0.880 380 L CB 0.410 42.194 42.059 -0.457 0.000 1.142 380 L HN 0.654 nan 8.230 nan 0.000 0.473 381 E N 3.174 123.444 120.200 0.117 0.000 2.378 381 E HA 0.256 4.606 4.350 -0.000 0.000 0.265 381 E C 0.135 176.640 176.600 -0.158 0.000 0.932 381 E CA -0.804 55.568 56.400 -0.048 0.000 0.795 381 E CB 1.509 31.188 29.700 -0.036 0.000 1.296 381 E HN 0.482 nan 8.360 nan 0.000 0.438 382 R N 0.880 121.318 120.500 -0.103 0.000 2.120 382 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 382 R C 1.955 178.189 176.300 -0.110 0.000 1.123 382 R CA 2.339 58.390 56.100 -0.082 0.000 0.975 382 R CB -0.862 29.420 30.300 -0.030 0.000 0.866 382 R HN 0.688 nan 8.270 nan 0.000 0.446 383 H N -2.487 116.505 119.070 -0.131 0.000 2.518 383 H HA -0.025 4.531 4.556 -0.000 0.000 0.289 383 H C 1.176 176.412 175.328 -0.152 0.000 1.051 383 H CA 1.890 57.844 56.048 -0.157 0.000 1.280 383 H CB -0.628 29.023 29.762 -0.185 0.000 1.380 383 H HN 0.506 nan 8.280 nan 0.000 0.566 384 H N -0.156 118.687 119.070 -0.379 0.000 2.524 384 H HA 0.122 4.678 4.556 -0.000 0.000 0.282 384 H C 1.150 176.306 175.328 -0.287 0.000 1.016 384 H CA 0.997 56.931 56.048 -0.189 0.000 1.270 384 H CB 0.308 30.015 29.762 -0.091 0.000 1.394 384 H HN 0.351 nan 8.280 nan 0.000 0.568 385 L N 0.170 121.303 121.223 -0.151 0.000 2.700 385 L HA 0.043 4.383 4.340 -0.000 0.000 0.234 385 L C 0.927 177.729 176.870 -0.114 0.000 1.156 385 L CA -0.211 54.513 54.840 -0.193 0.000 0.946 385 L CB 0.397 42.388 42.059 -0.113 0.000 1.216 385 L HN 0.174 nan 8.230 nan 0.000 0.493 386 D N 0.749 121.101 120.400 -0.079 0.000 2.097 386 D HA -0.234 4.406 4.640 -0.000 0.000 0.195 386 D C 1.669 177.905 176.300 -0.105 0.000 0.989 386 D CA 1.518 55.477 54.000 -0.068 0.000 0.827 386 D CB 0.137 40.930 40.800 -0.012 0.000 0.966 386 D HN 0.295 nan 8.370 nan 0.000 0.456 387 D N -0.801 119.560 120.400 -0.066 0.000 2.117 387 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 387 D C 1.859 178.025 176.300 -0.223 0.000 0.987 387 D CA 0.592 54.564 54.000 -0.047 0.000 0.829 387 D CB -0.203 40.670 40.800 0.123 0.000 0.961 387 D HN 0.113 nan 8.370 nan 0.000 0.460 388 F N 0.411 120.017 119.950 -0.574 0.000 2.134 388 F HA -0.137 4.390 4.527 -0.000 0.000 0.299 388 F C 1.931 177.370 175.800 -0.601 0.000 1.097 388 F CA 1.095 58.487 58.000 -1.013 0.000 1.264 388 F CB -0.570 37.771 39.000 -1.099 0.000 1.001 388 F HN -0.077 nan 8.300 nan 0.000 0.479 389 V N -0.536 118.982 119.914 -0.661 0.000 2.379 389 V HA -0.234 3.885 4.120 -0.000 0.000 0.245 389 V C 2.700 178.507 176.094 -0.478 0.000 1.044 389 V CA 1.841 63.765 62.300 -0.626 0.000 1.036 389 V CB -0.879 30.758 31.823 -0.311 0.000 0.664 389 V HN 0.532 nan 8.190 nan 0.000 0.453 390 S N -0.891 114.596 115.700 -0.355 0.000 2.359 390 S HA -0.259 4.211 4.470 -0.000 0.000 0.224 390 S C 2.124 176.509 174.600 -0.359 0.000 1.035 390 S CA 2.212 60.250 58.200 -0.271 0.000 1.018 390 S CB -0.592 62.507 63.200 -0.169 0.000 0.876 390 S HN 0.667 nan 8.310 nan 0.000 0.448 391 C N 0.435 119.401 119.300 -0.557 0.000 2.413 391 C HA -0.066 4.394 4.460 -0.000 0.000 0.276 391 C C 2.307 176.789 174.990 -0.846 0.000 1.236 391 C CA 1.030 59.507 59.018 -0.902 0.000 1.735 391 C CB -1.877 24.852 27.740 -1.684 0.000 2.031 391 C HN 0.789 nan 8.230 nan 0.000 0.474 392 Y N 2.644 122.302 120.300 -1.071 0.000 2.139 392 Y HA -0.234 4.316 4.550 -0.000 0.000 0.282 392 Y C 2.334 177.963 175.900 -0.451 0.000 1.179 392 Y CA 2.190 59.828 58.100 -0.770 0.000 1.161 392 Y CB -0.380 37.484 38.460 -0.992 0.000 0.970 392 Y HN 0.408 nan 8.280 nan 0.000 0.511 393 N N -0.291 118.285 118.700 -0.207 0.000 2.290 393 N HA -0.083 4.657 4.740 -0.000 0.000 0.179 393 N C -0.399 175.011 175.510 -0.166 0.000 1.016 393 N CA 0.810 53.773 53.050 -0.144 0.000 0.871 393 N CB -0.298 38.126 38.487 -0.106 0.000 0.987 393 N HN 0.302 nan 8.380 nan 0.000 0.431 394 N N 1.974 120.574 118.700 -0.167 0.000 2.589 394 N HA 0.135 4.875 4.740 -0.000 0.000 0.232 394 N C -0.393 175.070 175.510 -0.077 0.000 1.015 394 N CA -0.106 52.885 53.050 -0.098 0.000 0.931 394 N CB 1.041 39.497 38.487 -0.053 0.000 1.150 394 N HN -0.052 nan 8.380 nan 0.000 0.512 395 R N 1.714 122.111 120.500 -0.173 0.000 4.138 395 R HA 0.220 4.560 4.340 -0.000 0.000 0.206 395 R C -0.560 175.699 176.300 -0.067 0.000 1.667 395 R CA -0.180 55.655 56.100 -0.442 0.000 1.481 395 R CB -0.296 29.605 30.300 -0.664 0.000 1.388 395 R HN 0.188 nan 8.270 nan 0.000 0.776 396 V N 1.262 121.313 119.914 0.228 0.000 2.407 396 V HA 0.175 4.295 4.120 -0.000 0.000 0.291 396 V C 0.535 176.965 176.094 0.560 0.000 1.018 396 V CA -0.942 61.577 62.300 0.365 0.000 0.842 396 V CB 2.279 34.233 31.823 0.219 0.000 0.996 396 V HN 0.405 nan 8.190 nan 0.000 0.426 397 E N 2.956 123.469 120.200 0.521 0.000 2.465 397 E HA 0.112 4.462 4.350 -0.000 0.000 0.260 397 E C 0.488 177.308 176.600 0.366 0.000 0.980 397 E CA 0.114 56.749 56.400 0.392 0.000 0.927 397 E CB 1.093 30.840 29.700 0.078 0.000 0.934 397 E HN 0.578 nan 8.360 nan 0.000 0.459 398 I N 3.074 123.926 120.570 0.469 0.000 2.494 398 I HA -0.127 4.043 4.170 -0.000 0.000 0.250 398 I C 1.023 177.298 176.117 0.263 0.000 1.112 398 I CA 0.090 61.608 61.300 0.363 0.000 1.438 398 I CB -0.005 38.257 38.000 0.437 0.000 1.111 398 I HN 0.556 nan 8.210 nan 0.000 0.431 399 Y N 3.183 123.568 120.300 0.142 0.000 2.717 399 Y HA -0.007 4.543 4.550 -0.000 0.000 0.330 399 Y C -0.321 175.553 175.900 -0.043 0.000 1.217 399 Y CA 0.088 58.204 58.100 0.028 0.000 1.506 399 Y CB 0.225 38.579 38.460 -0.176 0.000 1.268 399 Y HN 0.094 nan 8.280 nan 0.000 0.561 400 D N 4.245 124.204 120.400 -0.736 0.000 2.896 400 D HA 0.490 5.130 4.640 -0.000 0.000 0.241 400 D C 0.361 176.099 176.300 -0.937 0.000 1.188 400 D CA 0.172 53.756 54.000 -0.693 0.000 0.879 400 D CB 1.709 42.339 40.800 -0.284 0.000 1.553 400 D HN 0.724 nan 8.370 nan 0.000 0.515 401 A N 3.694 126.039 122.820 -0.791 0.000 1.884 401 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 401 A C 1.760 179.204 177.584 -0.234 0.000 1.197 401 A CA 2.114 53.894 52.037 -0.428 0.000 0.637 401 A CB -0.468 18.446 19.000 -0.143 0.000 0.827 401 A HN 0.752 nan 8.150 nan 0.000 0.450 402 E N -1.556 118.536 120.200 -0.180 0.000 2.290 402 E HA -0.021 4.329 4.350 -0.000 0.000 0.197 402 E C 1.132 177.678 176.600 -0.090 0.000 0.948 402 E CA 0.703 57.043 56.400 -0.100 0.000 0.895 402 E CB -0.588 29.072 29.700 -0.066 0.000 0.865 402 E HN 0.549 nan 8.360 nan 0.000 0.486 403 N N 1.207 119.839 118.700 -0.113 0.000 2.333 403 N HA -0.041 4.699 4.740 -0.000 0.000 0.178 403 N C 0.024 175.495 175.510 -0.064 0.000 1.018 403 N CA 0.747 53.753 53.050 -0.074 0.000 0.882 403 N CB 0.050 38.498 38.487 -0.065 0.000 0.984 403 N HN 0.125 nan 8.380 nan 0.000 0.434 404 N N -0.496 118.134 118.700 -0.118 0.000 2.824 404 N HA 0.178 4.917 4.740 -0.000 0.000 0.224 404 N C -2.528 172.926 175.510 -0.093 0.000 1.418 404 N CA -1.135 51.880 53.050 -0.058 0.000 0.743 404 N CB 1.206 39.691 38.487 -0.002 0.000 1.395 404 N HN -0.145 nan 8.380 nan 0.000 0.548 405 P HA 0.047 nan 4.420 nan 0.000 0.236 405 P C 0.468 178.021 177.300 0.423 0.000 1.177 405 P CA 0.788 63.947 63.100 0.099 0.000 0.773 405 P CB 0.539 32.306 31.700 0.111 0.000 0.878 406 Q N -0.163 119.809 119.800 0.287 0.000 2.246 406 Q HA 0.216 4.556 4.340 -0.000 0.000 0.202 406 Q C 0.967 177.158 176.000 0.318 0.000 0.883 406 Q CA -0.023 55.941 55.803 0.269 0.000 0.952 406 Q CB 0.273 29.094 28.738 0.140 0.000 1.078 406 Q HN 0.137 nan 8.270 nan 0.000 0.493 407 G N 0.484 109.556 108.800 0.454 0.000 2.406 407 G HA2 0.091 4.051 3.960 -0.000 0.000 0.251 407 G HA3 0.091 4.051 3.960 -0.000 0.000 0.251 407 G C 0.614 175.859 174.900 0.574 0.000 1.271 407 G CA -0.418 44.939 45.100 0.428 0.000 0.859 407 G HN 0.195 nan 8.290 nan 0.000 0.540 408 R N 0.746 121.464 120.500 0.363 0.000 2.307 408 R HA 0.034 4.374 4.340 -0.000 0.000 0.199 408 R C 0.169 176.750 176.300 0.467 0.000 1.000 408 R CA 0.265 56.485 56.100 0.200 0.000 1.023 408 R CB 0.375 30.505 30.300 -0.283 0.000 0.908 408 R HN 0.680 nan 8.270 nan 0.000 0.473 409 W N 1.448 122.977 121.300 0.382 0.000 2.424 409 W HA 0.399 5.059 4.660 -0.000 0.000 0.318 409 W C -1.204 175.549 176.519 0.390 0.000 1.016 409 W CA -1.017 56.616 57.345 0.480 0.000 1.268 409 W CB 1.025 30.786 29.460 0.502 0.000 1.297 409 W HN -0.174 nan 8.180 nan 0.000 0.428 410 R N 5.021 125.558 120.500 0.061 0.000 2.621 410 R HA 0.319 4.659 4.340 -0.000 0.000 0.284 410 R C -1.464 174.448 176.300 -0.647 0.000 0.998 410 R CA -0.707 55.096 56.100 -0.496 0.000 0.895 410 R CB 2.466 31.993 30.300 -1.289 0.000 1.195 410 R HN 0.468 nan 8.270 nan 0.000 0.450 411 K N 3.541 123.352 120.400 -0.982 0.000 2.213 411 K HA 0.261 4.581 4.320 -0.000 0.000 0.270 411 K C -1.598 174.489 176.600 -0.855 0.000 1.002 411 K CA -0.444 55.124 56.287 -1.198 0.000 0.868 411 K CB 0.790 32.195 32.500 -1.826 0.000 1.093 411 K HN 0.466 nan 8.250 nan 0.000 0.454 412 Y N 4.577 124.626 120.300 -0.417 0.000 2.352 412 Y HA 0.308 4.858 4.550 -0.000 0.000 0.339 412 Y C -1.946 173.839 175.900 -0.193 0.000 0.992 412 Y CA -2.428 55.517 58.100 -0.258 0.000 1.100 412 Y CB 1.354 39.737 38.460 -0.129 0.000 1.192 412 Y HN 0.566 nan 8.280 nan 0.000 0.458 413 P HA -0.013 nan 4.420 nan 0.000 0.274 413 P C 0.850 178.173 177.300 0.039 0.000 1.231 413 P CA -0.067 63.021 63.100 -0.021 0.000 0.790 413 P CB 1.875 33.548 31.700 -0.046 0.000 0.951 414 V N 1.617 121.552 119.914 0.035 0.000 2.594 414 V HA -0.190 3.930 4.120 -0.000 0.000 0.253 414 V C 1.485 177.596 176.094 0.030 0.000 1.069 414 V CA 2.063 64.389 62.300 0.044 0.000 1.082 414 V CB -0.963 30.885 31.823 0.041 0.000 0.680 414 V HN 0.433 nan 8.190 nan 0.000 0.469 415 D N -0.208 120.203 120.400 0.019 0.000 2.224 415 D HA -0.121 4.519 4.640 -0.000 0.000 0.205 415 D C 2.113 178.420 176.300 0.011 0.000 0.965 415 D CA 1.179 55.186 54.000 0.011 0.000 0.852 415 D CB -0.077 40.725 40.800 0.004 0.000 0.947 415 D HN 0.673 nan 8.370 nan 0.000 0.494 416 E N 0.365 120.578 120.200 0.021 0.000 2.150 416 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 416 E C 2.215 178.818 176.600 0.004 0.000 0.985 416 E CA 0.466 56.880 56.400 0.023 0.000 0.814 416 E CB 0.077 29.818 29.700 0.068 0.000 0.752 416 E HN 0.336 nan 8.360 nan 0.000 0.466 417 I N 1.086 121.661 120.570 0.008 0.000 2.286 417 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 417 I C 2.343 178.457 176.117 -0.005 0.000 1.104 417 I CA 0.825 62.119 61.300 -0.011 0.000 1.397 417 I CB -0.069 37.942 38.000 0.018 0.000 1.072 417 I HN 0.036 nan 8.210 nan 0.000 0.417 418 I N 0.814 121.386 120.570 0.003 0.000 2.454 418 I HA -0.268 3.902 4.170 -0.000 0.000 0.254 418 I C 2.538 178.653 176.117 -0.004 0.000 1.156 418 I CA 1.205 62.505 61.300 -0.000 0.000 1.433 418 I CB -0.381 37.620 38.000 0.002 0.000 1.082 418 I HN 0.178 nan 8.210 nan 0.000 0.432 419 A N 0.449 123.267 122.820 -0.005 0.000 2.119 419 A HA 0.021 4.341 4.320 -0.000 0.000 0.216 419 A C 1.343 178.921 177.584 -0.011 0.000 1.152 419 A CA 0.194 52.227 52.037 -0.006 0.000 0.708 419 A CB -0.248 18.749 19.000 -0.005 0.000 0.805 419 A HN 0.239 nan 8.150 nan 0.000 0.460 420 R N 0.580 121.070 120.500 -0.017 0.000 2.738 420 R HA 0.130 4.470 4.340 -0.000 0.000 0.268 420 R C -0.667 175.626 176.300 -0.012 0.000 1.062 420 R CA -0.351 55.736 56.100 -0.022 0.000 1.158 420 R CB 0.210 30.488 30.300 -0.035 0.000 1.046 420 R HN 0.273 nan 8.270 nan 0.000 0.493 421 D N 1.948 122.342 120.400 -0.011 0.000 2.425 421 D HA -0.030 4.610 4.640 -0.000 0.000 0.247 421 D C -0.049 176.256 176.300 0.008 0.000 1.147 421 D CA 0.409 54.407 54.000 -0.004 0.000 0.879 421 D CB 0.491 41.287 40.800 -0.007 0.000 1.179 421 D HN 0.304 nan 8.370 nan 0.000 0.456 422 K N 1.939 122.346 120.400 0.011 0.000 3.349 422 K HA -0.199 4.121 4.320 -0.000 0.000 0.310 422 K C 0.277 176.886 176.600 0.016 0.000 1.267 422 K CA 1.090 57.390 56.287 0.020 0.000 0.920 422 K CB -2.803 29.723 32.500 0.043 0.000 1.240 422 K HN 0.731 nan 8.250 nan 0.000 0.453 423 T N -0.376 114.182 114.554 0.006 0.000 3.970 423 T HA -0.218 4.131 4.350 -0.000 0.000 0.361 423 T C 0.143 174.851 174.700 0.012 0.000 0.758 423 T CA 1.225 63.326 62.100 0.002 0.000 1.940 423 T CB -1.181 67.682 68.868 -0.007 0.000 1.821 423 T HN 0.571 nan 8.240 nan 0.000 0.818 424 S N -0.189 115.523 115.700 0.020 0.000 2.531 424 S HA 0.412 4.882 4.470 -0.000 0.000 0.279 424 S C 1.052 175.678 174.600 0.042 0.000 1.305 424 S CA -0.686 57.543 58.200 0.048 0.000 1.058 424 S CB 0.345 63.579 63.200 0.057 0.000 0.899 424 S HN 0.481 nan 8.310 nan 0.000 0.493 425 L N 3.385 124.660 121.223 0.087 0.000 2.700 425 L HA 0.297 4.637 4.340 -0.000 0.000 0.234 425 L C 0.660 177.655 176.870 0.207 0.000 1.156 425 L CA -0.046 54.892 54.840 0.162 0.000 0.946 425 L CB 0.037 42.201 42.059 0.175 0.000 1.216 425 L HN 0.552 nan 8.230 nan 0.000 0.493 426 D N 1.477 121.962 120.400 0.141 0.000 2.801 426 D HA 0.177 4.817 4.640 -0.000 0.000 0.232 426 D C 0.043 176.360 176.300 0.028 0.000 1.128 426 D CA 0.118 54.208 54.000 0.151 0.000 1.003 426 D CB -0.158 40.778 40.800 0.226 0.000 1.110 426 D HN 0.146 nan 8.370 nan 0.000 0.477 427 I N 1.357 121.881 120.570 -0.076 0.000 2.331 427 I HA 0.233 4.403 4.170 -0.000 0.000 0.292 427 I C 0.708 176.745 176.117 -0.134 0.000 0.998 427 I CA -0.279 60.851 61.300 -0.284 0.000 1.267 427 I CB 1.484 38.951 38.000 -0.888 0.000 1.386 427 I HN 0.116 nan 8.210 nan 0.000 0.476 428 T N 1.458 115.988 114.554 -0.040 0.000 2.901 428 T HA 0.506 4.856 4.350 -0.000 0.000 0.293 428 T C -0.348 174.427 174.700 0.126 0.000 1.084 428 T CA -0.657 61.414 62.100 -0.049 0.000 1.008 428 T CB 1.702 70.458 68.868 -0.187 0.000 1.170 428 T HN 0.804 nan 8.240 nan 0.000 0.509 429 W N 0.150 121.410 121.300 -0.068 0.000 1.952 429 W HA 0.555 5.215 4.660 -0.000 0.000 0.236 429 W C -0.741 175.778 176.519 0.001 0.000 0.880 429 W CA -0.753 56.560 57.345 -0.054 0.000 1.095 429 W CB -0.033 29.346 29.460 -0.135 0.000 0.933 429 W HN 0.487 nan 8.180 nan 0.000 0.553 430 I N 3.616 123.901 120.570 -0.475 0.000 2.379 430 I HA 0.318 4.488 4.170 -0.000 0.000 0.290 430 I C 0.949 176.997 176.117 -0.115 0.000 1.063 430 I CA -0.184 60.955 61.300 -0.269 0.000 1.351 430 I CB 0.617 38.382 38.000 -0.392 0.000 1.410 430 I HN 0.055 nan 8.210 nan 0.000 0.505 431 K N 8.318 128.707 120.400 -0.017 0.000 2.402 431 K HA 0.192 4.512 4.320 -0.000 0.000 0.285 431 K C -2.005 174.577 176.600 -0.030 0.000 1.054 431 K CA -1.139 55.141 56.287 -0.012 0.000 1.001 431 K CB -0.656 31.857 32.500 0.022 0.000 0.946 431 K HN 0.420 nan 8.250 nan 0.000 0.473 432 P HA -0.117 nan 4.420 nan 0.000 0.219 432 P C 0.936 178.220 177.300 -0.025 0.000 1.146 432 P CA 1.195 64.269 63.100 -0.043 0.000 0.808 432 P CB 0.148 31.820 31.700 -0.048 0.000 0.779 433 G N 0.000 108.791 108.800 -0.015 0.000 5.446 433 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 433 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 433 G CA 0.000 45.096 45.100 -0.007 0.000 0.502 433 G HN 0.000 nan 8.290 nan 0.000 0.925