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 3phf_1_Q DATA FIRST_RESID 20 DATA SEQUENCE LSEVKLHLDI EGHASHYTIP WTELMAKVPG LSPEALWREA NVTEDLASML DATA SEQUENCE NRYKLIYKTS GTLGIALAEP VDIPAVSEGS MQVDASKVHP GVISGLNSPA DATA SEQUENCE cMLSAPLEKQ LFYYIGTMLP NTRPHSYVFY QLRCHLSYVA LSINGDKFQY DATA SEQUENCE TGAMTSKFLM GTYKRVTEKG DEHVLSLVFG KTKDLPDLRG PFSYPSLTSA DATA SEQUENCE QSGDYSLVIV TTFVHYANFH NYFVPNLKDM FSRAVTMTAA SYARYVLQKL DATA SEQUENCE VLLEMKGGcR EPELDTETLT TMFEVSVAFF KVGHAVGETG NGcVDLRWLA DATA SEQUENCE KSFFELTVLK DIIGIcYGAT VKGMQSYGLE RLAAMLMATV KMEELGHLTT DATA SEQUENCE EKQEYALRLA TVGYPKAGVY SGLIGGATSV LLSAYNRHPL FQPLHTVMRE DATA SEQUENCE TLFIGSHVVL RELRLNVTTQ GPNLALYQLL STALcSALEI GEVLRGLALG DATA SEQUENCE TESGLFSPcY LSLRFDLTRD KLLSMAPQEA TLDQAAVSNA VDGFLGRLSL DATA SEQUENCE EREDRDAWHL PAYKcVDRLD KVLMIIPLIN VTFIISSDRE VRGSALYEAS DATA SEQUENCE TTYLSSSLFL SPVIMNKcSQ GAVAGEPRQI PKIQNFTRTQ KSCIFCGFAL DATA SEQUENCE LSYDEKEGLE TTTYITSQEV QNSILSSNYF DFDNLHVHYL LLTTNGTVME DATA SEQUENCE IAG 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 20 L HA 0.000 nan 4.340 nan 0.000 0.249 20 L C 0.000 176.716 176.870 -0.257 0.000 1.165 20 L CA 0.000 54.803 54.840 -0.061 0.000 0.813 20 L CB 0.000 42.035 42.059 -0.040 0.000 0.961 21 S N 1.709 117.091 115.700 -0.531 0.000 3.533 21 S HA -0.200 4.270 4.470 -0.000 0.000 0.347 21 S C 0.158 174.091 174.600 -1.112 0.000 1.101 21 S CA 1.514 58.841 58.200 -1.456 0.000 1.009 21 S CB -1.313 61.374 63.200 -0.856 0.000 0.916 21 S HN 0.835 nan 8.310 nan 0.000 0.496 22 E N -0.002 119.835 120.200 -0.605 0.000 2.649 22 E HA 0.510 4.860 4.350 -0.000 0.000 0.310 22 E C -1.140 175.409 176.600 -0.086 0.000 1.036 22 E CA -0.296 55.904 56.400 -0.335 0.000 0.772 22 E CB 1.209 30.777 29.700 -0.220 0.000 1.513 22 E HN 0.151 nan 8.360 nan 0.000 0.384 23 V N 4.454 124.387 119.914 0.032 0.000 2.540 23 V HA 0.555 4.675 4.120 -0.000 0.000 0.302 23 V C -0.588 175.535 176.094 0.049 0.000 1.035 23 V CA -0.930 61.433 62.300 0.104 0.000 0.873 23 V CB 1.867 33.818 31.823 0.213 0.000 0.992 23 V HN 0.553 nan 8.190 nan 0.000 0.428 24 K N 4.958 125.353 120.400 -0.009 0.000 2.502 24 K HA 0.671 4.991 4.320 -0.000 0.000 0.254 24 K C -1.158 175.308 176.600 -0.224 0.000 0.947 24 K CA -0.694 55.536 56.287 -0.095 0.000 0.834 24 K CB 2.001 34.425 32.500 -0.126 0.000 1.112 24 K HN 0.505 nan 8.250 nan 0.000 0.427 25 L N 3.433 124.569 121.223 -0.144 0.000 2.461 25 L HA 0.097 4.437 4.340 -0.000 0.000 0.272 25 L C 0.158 176.828 176.870 -0.335 0.000 1.197 25 L CA -0.013 54.752 54.840 -0.124 0.000 0.836 25 L CB 0.282 42.350 42.059 0.015 0.000 1.105 25 L HN 0.649 nan 8.230 nan 0.000 0.477 26 H N 5.078 124.119 119.070 -0.047 0.000 2.541 26 H HA 0.323 4.879 4.556 -0.000 0.000 0.246 26 H C -0.006 175.282 175.328 -0.066 0.000 1.341 26 H CA -0.339 55.599 56.048 -0.184 0.000 1.469 26 H CB 0.475 30.106 29.762 -0.218 0.000 1.472 26 H HN 0.445 nan 8.280 nan 0.000 0.503 27 L N 0.734 122.013 121.223 0.094 0.000 2.776 27 L HA 0.342 4.682 4.340 -0.000 0.000 0.165 27 L C 0.113 177.052 176.870 0.115 0.000 1.145 27 L CA -0.176 54.739 54.840 0.125 0.000 1.230 27 L CB 0.258 42.431 42.059 0.190 0.000 2.044 27 L HN 0.386 nan 8.230 nan 0.000 0.484 28 D N -1.420 119.056 120.400 0.127 0.000 2.205 28 D HA 0.317 4.957 4.640 -0.000 0.000 0.168 28 D C -0.709 175.658 176.300 0.112 0.000 1.167 28 D CA -0.306 53.766 54.000 0.119 0.000 0.834 28 D CB 0.677 41.530 40.800 0.088 0.000 2.599 28 D HN 0.338 nan 8.370 nan 0.000 0.497 29 I N 0.892 121.539 120.570 0.130 0.000 3.503 29 I HA 0.304 4.474 4.170 -0.000 0.000 0.240 29 I C 0.667 176.844 176.117 0.101 0.000 1.315 29 I CA -0.657 60.708 61.300 0.109 0.000 0.759 29 I CB 0.324 38.390 38.000 0.109 0.000 1.733 29 I HN 0.344 nan 8.210 nan 0.000 0.854 30 E N 0.804 121.059 120.200 0.092 0.000 1.861 30 E HA 0.338 4.688 4.350 -0.000 0.000 0.263 30 E C 0.307 176.985 176.600 0.130 0.000 1.137 30 E CA 0.719 57.170 56.400 0.086 0.000 0.944 30 E CB -0.164 29.573 29.700 0.062 0.000 1.092 30 E HN 0.735 nan 8.360 nan 0.000 0.420 31 G N 2.989 111.864 108.800 0.125 0.000 2.541 31 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.201 31 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.201 31 G C -0.201 174.716 174.900 0.028 0.000 1.026 31 G CA -0.477 44.692 45.100 0.115 0.000 0.687 31 G HN 0.517 nan 8.290 nan 0.000 0.492 32 H N 0.640 119.733 119.070 0.038 0.000 2.621 32 H HA 0.782 5.338 4.556 -0.000 0.000 0.360 32 H C 0.321 175.690 175.328 0.069 0.000 1.163 32 H CA 0.229 56.303 56.048 0.044 0.000 1.194 32 H CB 1.830 31.614 29.762 0.036 0.000 1.649 32 H HN 0.584 nan 8.280 nan 0.000 0.532 33 A N 2.054 124.984 122.820 0.183 0.000 2.269 33 A HA 0.482 4.802 4.320 -0.000 0.000 0.302 33 A C -0.242 177.507 177.584 0.276 0.000 1.266 33 A CA -0.488 51.675 52.037 0.210 0.000 0.894 33 A CB 0.047 19.187 19.000 0.234 0.000 1.147 33 A HN 0.616 nan 8.150 nan 0.000 0.537 34 S N 1.263 117.103 115.700 0.234 0.000 2.585 34 S HA 0.533 5.003 4.470 -0.000 0.000 0.277 34 S C -0.762 173.928 174.600 0.151 0.000 1.241 34 S CA -0.272 58.015 58.200 0.145 0.000 1.041 34 S CB 0.475 63.760 63.200 0.142 0.000 0.987 34 S HN 0.718 nan 8.310 nan 0.000 0.512 35 H N 1.135 120.005 119.070 -0.333 0.000 2.970 35 H HA 0.440 4.996 4.556 -0.000 0.000 0.315 35 H C -1.503 173.543 175.328 -0.471 0.000 0.992 35 H CA -0.297 55.597 56.048 -0.257 0.000 1.363 35 H CB 0.334 30.037 29.762 -0.099 0.000 1.532 35 H HN 0.489 nan 8.280 nan 0.000 0.514 36 Y N 0.930 121.212 120.300 -0.030 0.000 2.409 36 Y HA 0.439 4.989 4.550 -0.000 0.000 0.343 36 Y C 0.253 176.103 175.900 -0.083 0.000 0.973 36 Y CA -1.026 57.055 58.100 -0.030 0.000 1.064 36 Y CB 1.996 40.444 38.460 -0.019 0.000 1.207 36 Y HN 0.501 nan 8.280 nan 0.000 0.452 37 T N 1.268 115.880 114.554 0.097 0.000 2.791 37 T HA 0.664 5.014 4.350 -0.000 0.000 0.288 37 T C -0.639 174.094 174.700 0.056 0.000 0.999 37 T CA -0.590 61.527 62.100 0.029 0.000 0.952 37 T CB 0.213 69.083 68.868 0.003 0.000 0.938 37 T HN 0.502 nan 8.240 nan 0.000 0.444 38 I N 5.211 125.818 120.570 0.062 0.000 2.347 38 I HA 0.297 4.467 4.170 -0.000 0.000 0.283 38 I C -2.395 173.778 176.117 0.094 0.000 1.058 38 I CA -2.476 58.880 61.300 0.093 0.000 1.202 38 I CB 1.390 39.467 38.000 0.127 0.000 1.386 38 I HN 0.391 nan 8.210 nan 0.000 0.475 39 P HA 0.050 nan 4.420 nan 0.000 0.256 39 P C 0.655 177.908 177.300 -0.079 0.000 1.689 39 P CA -0.436 62.588 63.100 -0.126 0.000 1.124 39 P CB -0.067 31.567 31.700 -0.110 0.000 1.766 40 W N 1.592 122.872 121.300 -0.034 0.000 2.721 40 W HA -0.064 4.596 4.660 -0.000 0.000 0.245 40 W C 0.992 177.496 176.519 -0.025 0.000 1.276 40 W CA 0.729 58.056 57.345 -0.030 0.000 1.342 40 W CB -2.032 27.404 29.460 -0.040 0.000 1.135 40 W HN 0.178 nan 8.180 nan 0.000 0.654 41 T N 1.093 115.461 114.554 -0.311 0.000 2.777 41 T HA -0.260 4.090 4.350 -0.000 0.000 0.266 41 T C 1.759 176.405 174.700 -0.090 0.000 1.040 41 T CA 2.195 64.137 62.100 -0.264 0.000 1.141 41 T CB -0.178 68.458 68.868 -0.386 0.000 0.868 41 T HN 0.310 nan 8.240 nan 0.000 0.444 42 E N -0.266 119.889 120.200 -0.075 0.000 2.158 42 E HA -0.017 4.333 4.350 -0.000 0.000 0.191 42 E C 2.348 178.954 176.600 0.010 0.000 0.982 42 E CA 0.494 56.876 56.400 -0.031 0.000 0.823 42 E CB -0.180 29.500 29.700 -0.033 0.000 0.766 42 E HN 0.535 nan 8.360 nan 0.000 0.468 43 L N 0.414 121.661 121.223 0.040 0.000 2.046 43 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 43 L C 2.757 179.669 176.870 0.070 0.000 1.077 43 L CA 1.132 56.011 54.840 0.065 0.000 0.747 43 L CB -0.329 41.791 42.059 0.102 0.000 0.896 43 L HN 0.285 nan 8.230 nan 0.000 0.432 44 M N -0.869 118.788 119.600 0.095 0.000 2.346 44 M HA -0.211 4.269 4.480 -0.000 0.000 0.263 44 M C 2.335 178.669 176.300 0.056 0.000 1.064 44 M CA 1.648 57.003 55.300 0.091 0.000 1.083 44 M CB -0.483 32.192 32.600 0.126 0.000 1.399 44 M HN 0.350 nan 8.290 nan 0.000 0.435 45 A N 0.318 123.162 122.820 0.039 0.000 1.874 45 A HA -0.087 4.233 4.320 -0.000 0.000 0.214 45 A C 2.061 179.661 177.584 0.025 0.000 1.189 45 A CA 1.211 53.263 52.037 0.026 0.000 0.615 45 A CB -0.295 18.713 19.000 0.012 0.000 0.830 45 A HN 0.364 nan 8.150 nan 0.000 0.443 46 K N -0.704 119.711 120.400 0.025 0.000 2.486 46 K HA 0.154 4.474 4.320 -0.000 0.000 0.194 46 K C -0.602 176.014 176.600 0.028 0.000 1.033 46 K CA 0.216 56.517 56.287 0.023 0.000 1.004 46 K CB 0.161 32.673 32.500 0.020 0.000 0.798 46 K HN 0.323 nan 8.250 nan 0.000 0.495 47 V N 1.566 121.500 119.914 0.034 0.000 2.680 47 V HA 0.146 4.266 4.120 -0.000 0.000 0.309 47 V C -1.680 174.437 176.094 0.039 0.000 1.052 47 V CA -1.421 60.901 62.300 0.036 0.000 0.908 47 V CB 1.779 33.626 31.823 0.039 0.000 1.001 47 V HN -0.018 nan 8.190 nan 0.000 0.431 48 P HA 0.074 nan 4.420 nan 0.000 0.210 48 P C 1.344 178.666 177.300 0.036 0.000 1.173 48 P CA 1.203 64.326 63.100 0.037 0.000 0.898 48 P CB 0.413 32.136 31.700 0.039 0.000 0.758 49 G N 0.246 109.066 108.800 0.034 0.000 2.776 49 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.209 49 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.209 49 G C 0.738 175.654 174.900 0.027 0.000 1.145 49 G CA -0.256 44.861 45.100 0.029 0.000 0.791 49 G HN 0.224 nan 8.290 nan 0.000 0.530 50 L N 2.813 124.054 121.223 0.030 0.000 2.433 50 L HA 0.269 4.609 4.340 -0.000 0.000 0.284 50 L C 0.072 176.959 176.870 0.030 0.000 1.120 50 L CA -0.439 54.416 54.840 0.025 0.000 0.879 50 L CB 0.513 42.593 42.059 0.034 0.000 1.232 50 L HN 0.129 nan 8.230 nan 0.000 0.454 51 S N 4.251 119.959 115.700 0.013 0.000 2.328 51 S HA 0.340 4.810 4.470 -0.000 0.000 0.204 51 S C -1.440 173.143 174.600 -0.028 0.000 1.475 51 S CA -1.190 57.017 58.200 0.012 0.000 1.148 51 S CB 0.824 64.037 63.200 0.022 0.000 1.077 51 S HN 0.493 nan 8.310 nan 0.000 0.479 52 P HA -0.215 nan 4.420 nan 0.000 0.217 52 P C 1.279 178.473 177.300 -0.177 0.000 1.151 52 P CA 1.323 64.303 63.100 -0.200 0.000 0.849 52 P CB 0.238 31.678 31.700 -0.434 0.000 0.787 53 E N -0.028 120.077 120.200 -0.159 0.000 2.097 53 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 53 E C 2.186 178.812 176.600 0.043 0.000 1.000 53 E CA 1.654 58.011 56.400 -0.072 0.000 0.804 53 E CB -0.804 28.878 29.700 -0.029 0.000 0.740 53 E HN 0.253 nan 8.360 nan 0.000 0.454 54 A N 0.814 123.656 122.820 0.037 0.000 1.854 54 A HA -0.102 4.218 4.320 -0.000 0.000 0.214 54 A C 2.456 180.095 177.584 0.092 0.000 1.192 54 A CA 1.065 53.141 52.037 0.065 0.000 0.611 54 A CB -0.783 18.250 19.000 0.053 0.000 0.832 54 A HN 0.210 nan 8.150 nan 0.000 0.442 55 L N -1.417 119.845 121.223 0.065 0.000 2.079 55 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 55 L C 2.631 179.582 176.870 0.135 0.000 1.081 55 L CA 1.576 56.454 54.840 0.064 0.000 0.752 55 L CB -0.522 41.473 42.059 -0.106 0.000 0.896 55 L HN 0.800 nan 8.230 nan 0.000 0.433 56 W N 1.317 122.578 121.300 -0.065 0.000 2.374 56 W HA -0.240 4.420 4.660 -0.000 0.000 0.288 56 W C 2.525 179.048 176.519 0.006 0.000 1.218 56 W CA 1.445 58.757 57.345 -0.055 0.000 1.245 56 W CB -0.001 29.375 29.460 -0.140 0.000 1.126 56 W HN 0.110 nan 8.180 nan 0.000 0.545 57 R N 1.003 121.547 120.500 0.073 0.000 2.127 57 R HA -0.057 4.283 4.340 -0.000 0.000 0.217 57 R C 2.148 178.440 176.300 -0.012 0.000 1.074 57 R CA 1.719 57.818 56.100 -0.002 0.000 0.991 57 R CB -0.813 29.534 30.300 0.078 0.000 0.895 57 R HN 0.147 nan 8.270 nan 0.000 0.450 58 E N 0.340 120.581 120.200 0.068 0.000 2.070 58 E HA -0.136 4.214 4.350 -0.000 0.000 0.197 58 E C 0.049 176.664 176.600 0.025 0.000 1.004 58 E CA 1.262 57.719 56.400 0.095 0.000 0.805 58 E CB -0.235 29.610 29.700 0.241 0.000 0.744 58 E HN 0.335 nan 8.360 nan 0.000 0.451 59 A N 2.309 125.151 122.820 0.037 0.000 2.376 59 A HA 0.071 4.391 4.320 -0.000 0.000 0.298 59 A C -0.068 177.392 177.584 -0.206 0.000 1.271 59 A CA -0.356 51.636 52.037 -0.075 0.000 0.926 59 A CB -0.040 18.974 19.000 0.025 0.000 1.141 59 A HN 0.045 nan 8.150 nan 0.000 0.539 60 N N 2.652 121.259 118.700 -0.155 0.000 2.360 60 N HA -0.021 4.719 4.740 -0.000 0.000 0.292 60 N C 1.444 176.820 175.510 -0.223 0.000 1.330 60 N CA 0.328 53.280 53.050 -0.163 0.000 1.009 60 N CB 0.535 38.962 38.487 -0.101 0.000 1.419 60 N HN 0.552 nan 8.380 nan 0.000 0.487 61 V N 0.740 120.445 119.914 -0.348 0.000 2.809 61 V HA -0.082 4.038 4.120 -0.000 0.000 0.256 61 V C 1.483 177.468 176.094 -0.183 0.000 1.080 61 V CA 1.282 63.355 62.300 -0.378 0.000 1.102 61 V CB -0.604 30.802 31.823 -0.696 0.000 0.705 61 V HN 0.433 nan 8.190 nan 0.000 0.475 62 T N -0.422 114.054 114.554 -0.130 0.000 3.069 62 T HA 0.135 4.485 4.350 -0.000 0.000 0.252 62 T C 0.714 175.376 174.700 -0.063 0.000 1.053 62 T CA -0.130 61.930 62.100 -0.065 0.000 0.964 62 T CB -0.169 68.681 68.868 -0.031 0.000 1.005 62 T HN 0.642 nan 8.240 nan 0.000 0.532 63 E N 4.344 124.493 120.200 -0.085 0.000 2.175 63 E HA -0.046 4.304 4.350 -0.000 0.000 0.247 63 E C -0.008 176.550 176.600 -0.070 0.000 1.259 63 E CA -0.480 55.875 56.400 -0.076 0.000 0.969 63 E CB 0.008 29.652 29.700 -0.093 0.000 1.051 63 E HN 0.447 nan 8.360 nan 0.000 0.448 64 D N 3.893 124.262 120.400 -0.052 0.000 2.703 64 D HA -0.220 4.420 4.640 -0.000 0.000 0.225 64 D C 1.305 177.571 176.300 -0.057 0.000 1.119 64 D CA 0.137 54.109 54.000 -0.046 0.000 0.845 64 D CB 0.855 41.635 40.800 -0.034 0.000 1.182 64 D HN 0.526 nan 8.370 nan 0.000 0.493 65 L N 2.464 123.654 121.223 -0.057 0.000 2.119 65 L HA -0.397 3.943 4.340 -0.000 0.000 0.226 65 L C 2.655 179.484 176.870 -0.069 0.000 1.093 65 L CA 2.602 57.402 54.840 -0.066 0.000 0.806 65 L CB -0.587 41.440 42.059 -0.055 0.000 0.902 65 L HN 0.735 nan 8.230 nan 0.000 0.444 66 A N -0.468 122.320 122.820 -0.054 0.000 1.845 66 A HA -0.266 4.054 4.320 -0.000 0.000 0.215 66 A C 2.379 179.930 177.584 -0.056 0.000 1.195 66 A CA 2.407 54.415 52.037 -0.050 0.000 0.616 66 A CB -1.020 17.957 19.000 -0.037 0.000 0.832 66 A HN 0.624 nan 8.150 nan 0.000 0.443 67 S N -0.314 115.351 115.700 -0.057 0.000 2.420 67 S HA -0.271 4.199 4.470 -0.000 0.000 0.237 67 S C 1.990 176.537 174.600 -0.089 0.000 1.023 67 S CA 1.777 59.938 58.200 -0.065 0.000 0.991 67 S CB -0.729 62.435 63.200 -0.059 0.000 0.792 67 S HN 0.601 nan 8.310 nan 0.000 0.488 68 M N 0.933 120.473 119.600 -0.100 0.000 2.080 68 M HA -0.110 4.370 4.480 -0.000 0.000 0.260 68 M C 1.787 178.018 176.300 -0.115 0.000 1.068 68 M CA 1.606 56.827 55.300 -0.131 0.000 1.109 68 M CB -0.467 32.039 32.600 -0.156 0.000 1.342 68 M HN 0.337 nan 8.290 nan 0.000 0.405 69 L N 1.914 123.087 121.223 -0.082 0.000 1.963 69 L HA -0.343 3.997 4.340 -0.000 0.000 0.220 69 L C 2.372 179.274 176.870 0.055 0.000 1.076 69 L CA 2.460 57.300 54.840 -0.001 0.000 0.772 69 L CB -1.765 40.289 42.059 -0.007 0.000 0.892 69 L HN 0.476 nan 8.230 nan 0.000 0.435 70 N N 1.104 119.798 118.700 -0.011 0.000 2.094 70 N HA -0.273 4.467 4.740 -0.000 0.000 0.191 70 N C 1.714 177.182 175.510 -0.070 0.000 1.023 70 N CA 1.883 54.916 53.050 -0.028 0.000 0.857 70 N CB -0.815 37.648 38.487 -0.041 0.000 1.013 70 N HN 0.554 nan 8.380 nan 0.000 0.426 71 R N -0.503 119.905 120.500 -0.153 0.000 2.339 71 R HA -0.035 4.305 4.340 -0.000 0.000 0.199 71 R C 1.440 177.678 176.300 -0.104 0.000 1.018 71 R CA 0.571 56.471 56.100 -0.332 0.000 1.036 71 R CB -0.541 29.408 30.300 -0.585 0.000 0.899 71 R HN 0.500 nan 8.270 nan 0.000 0.473 72 Y N 1.128 121.346 120.300 -0.138 0.000 2.526 72 Y HA 0.249 4.799 4.550 -0.000 0.000 0.265 72 Y C 1.531 177.448 175.900 0.029 0.000 1.092 72 Y CA -0.060 57.967 58.100 -0.121 0.000 1.277 72 Y CB 0.456 38.606 38.460 -0.516 0.000 1.228 72 Y HN 0.069 nan 8.280 nan 0.000 0.507 73 K N 1.116 121.338 120.400 -0.296 0.000 2.305 73 K HA 0.041 4.361 4.320 -0.000 0.000 0.199 73 K C 0.651 177.271 176.600 0.032 0.000 1.047 73 K CA 1.155 57.288 56.287 -0.256 0.000 0.976 73 K CB -0.429 32.038 32.500 -0.056 0.000 0.765 73 K HN 0.329 nan 8.250 nan 0.000 0.474 74 L N 1.013 122.261 121.223 0.042 0.000 2.922 74 L HA 0.398 4.738 4.340 -0.000 0.000 0.244 74 L C -0.601 176.305 176.870 0.061 0.000 1.324 74 L CA -0.100 54.822 54.840 0.137 0.000 1.172 74 L CB -0.648 41.467 42.059 0.094 0.000 1.545 74 L HN 0.041 nan 8.230 nan 0.000 0.438 75 I N -0.188 120.324 120.570 -0.097 0.000 2.619 75 I HA 0.269 4.439 4.170 -0.000 0.000 0.292 75 I C -0.488 175.156 176.117 -0.789 0.000 1.100 75 I CA -0.959 60.178 61.300 -0.272 0.000 1.043 75 I CB 1.671 39.600 38.000 -0.117 0.000 1.239 75 I HN 0.078 nan 8.210 nan 0.000 0.420 76 Y N 5.681 125.421 120.300 -0.934 0.000 2.511 76 Y HA 0.188 4.738 4.550 -0.000 0.000 0.332 76 Y C -0.179 175.340 175.900 -0.636 0.000 1.177 76 Y CA 0.344 57.739 58.100 -1.176 0.000 1.422 76 Y CB 0.485 38.510 38.460 -0.724 0.000 1.271 76 Y HN 0.383 nan 8.280 nan 0.000 0.550 77 K N 3.253 122.989 120.400 -1.107 0.000 2.244 77 K HA 0.266 4.586 4.320 -0.000 0.000 0.260 77 K C -0.710 175.326 176.600 -0.940 0.000 0.951 77 K CA -0.624 55.248 56.287 -0.691 0.000 0.826 77 K CB 1.173 33.516 32.500 -0.263 0.000 1.108 77 K HN 0.659 nan 8.250 nan 0.000 0.433 78 T N -0.220 114.001 114.554 -0.554 0.000 2.754 78 T HA 0.031 4.381 4.350 -0.000 0.000 0.282 78 T C 0.395 174.952 174.700 -0.239 0.000 0.923 78 T CA -0.589 61.287 62.100 -0.373 0.000 1.164 78 T CB -0.264 68.507 68.868 -0.161 0.000 0.873 78 T HN 0.442 nan 8.240 nan 0.000 0.537 79 S N 2.108 117.683 115.700 -0.208 0.000 3.188 79 S HA 0.420 4.890 4.470 -0.000 0.000 0.257 79 S C 1.092 175.670 174.600 -0.037 0.000 1.163 79 S CA -0.494 57.654 58.200 -0.087 0.000 1.259 79 S CB -1.003 62.183 63.200 -0.022 0.000 0.995 79 S HN 1.713 nan 8.310 nan 0.000 0.474 80 G N 0.766 109.539 108.800 -0.045 0.000 2.237 80 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.234 80 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.234 80 G C -0.344 174.545 174.900 -0.019 0.000 1.842 80 G CA -1.018 44.070 45.100 -0.020 0.000 1.208 80 G HN 0.280 nan 8.290 nan 0.000 0.644 81 T N 2.123 116.661 114.554 -0.026 0.000 2.708 81 T HA 0.284 4.634 4.350 -0.000 0.000 0.257 81 T C 0.908 175.596 174.700 -0.019 0.000 1.002 81 T CA 0.693 62.776 62.100 -0.027 0.000 1.269 81 T CB -0.358 68.499 68.868 -0.019 0.000 0.966 81 T HN 1.013 nan 8.240 nan 0.000 0.534 82 L N 1.744 122.953 121.223 -0.022 0.000 2.283 82 L HA 0.791 5.131 4.340 -0.000 0.000 0.281 82 L C 0.492 177.351 176.870 -0.018 0.000 1.033 82 L CA -0.752 54.084 54.840 -0.007 0.000 0.848 82 L CB 0.816 42.879 42.059 0.008 0.000 1.226 82 L HN 0.372 nan 8.230 nan 0.000 0.429 83 G N 3.425 112.225 108.800 0.000 0.000 2.410 83 G HA2 0.812 4.772 3.960 -0.000 0.000 0.330 83 G HA3 0.812 4.772 3.960 -0.000 0.000 0.330 83 G C -0.649 174.298 174.900 0.079 0.000 1.142 83 G CA -0.759 44.355 45.100 0.022 0.000 0.902 83 G HN 0.557 nan 8.290 nan 0.000 0.491 84 I N 0.368 121.024 120.570 0.145 0.000 2.740 84 I HA 0.489 4.659 4.170 -0.000 0.000 0.303 84 I C 0.493 176.705 176.117 0.157 0.000 1.044 84 I CA -1.202 60.183 61.300 0.141 0.000 1.064 84 I CB 2.391 40.483 38.000 0.154 0.000 1.249 84 I HN 0.530 nan 8.210 nan 0.000 0.433 85 A N 7.004 129.892 122.820 0.113 0.000 2.457 85 A HA 0.619 4.939 4.320 -0.000 0.000 0.298 85 A C -0.516 177.130 177.584 0.103 0.000 1.288 85 A CA 0.233 52.331 52.037 0.103 0.000 0.956 85 A CB -0.641 18.403 19.000 0.073 0.000 1.135 85 A HN 0.610 nan 8.150 nan 0.000 0.535 86 L N 2.746 124.043 121.223 0.123 0.000 2.555 86 L HA 0.507 4.847 4.340 -0.000 0.000 0.264 86 L C 0.271 177.203 176.870 0.103 0.000 0.972 86 L CA -0.336 54.560 54.840 0.095 0.000 0.876 86 L CB 1.663 43.770 42.059 0.079 0.000 1.216 86 L HN 0.689 nan 8.230 nan 0.000 0.415 87 A N 2.463 125.333 122.820 0.083 0.000 2.316 87 A HA 0.550 4.870 4.320 -0.000 0.000 0.284 87 A C 0.167 177.800 177.584 0.081 0.000 1.115 87 A CA -0.432 51.663 52.037 0.096 0.000 0.812 87 A CB 0.447 19.488 19.000 0.068 0.000 1.064 87 A HN 0.763 nan 8.150 nan 0.000 0.489 88 E N 2.254 122.527 120.200 0.122 0.000 2.383 88 E HA 0.411 4.761 4.350 -0.000 0.000 0.264 88 E C -2.374 174.259 176.600 0.054 0.000 1.050 88 E CA -1.312 55.140 56.400 0.087 0.000 0.896 88 E CB -0.234 29.573 29.700 0.180 0.000 0.982 88 E HN 0.410 nan 8.360 nan 0.000 0.424 89 P HA 0.056 nan 4.420 nan 0.000 0.286 89 P C -0.810 176.504 177.300 0.022 0.000 1.293 89 P CA -0.665 62.451 63.100 0.027 0.000 0.770 89 P CB 0.391 32.109 31.700 0.030 0.000 1.206 90 V N -2.208 117.714 119.914 0.014 0.000 2.567 90 V HA 0.406 4.526 4.120 -0.000 0.000 0.289 90 V C -0.106 175.972 176.094 -0.027 0.000 1.049 90 V CA -0.103 62.184 62.300 -0.022 0.000 0.969 90 V CB 1.372 33.178 31.823 -0.028 0.000 0.995 90 V HN 0.339 nan 8.190 nan 0.000 0.471 91 D N 2.018 122.329 120.400 -0.147 0.000 3.061 91 D HA 0.375 5.015 4.640 -0.000 0.000 0.243 91 D C 0.510 176.249 176.300 -0.936 0.000 1.572 91 D CA 0.398 54.199 54.000 -0.331 0.000 1.269 91 D CB 0.262 40.904 40.800 -0.263 0.000 1.023 91 D HN 0.587 nan 8.370 nan 0.000 0.280 92 I N 4.071 124.004 120.570 -1.061 0.000 2.441 92 I HA 0.171 4.341 4.170 -0.000 0.000 0.287 92 I C -1.782 174.064 176.117 -0.452 0.000 1.049 92 I CA -1.323 59.357 61.300 -1.033 0.000 1.381 92 I CB 0.953 38.432 38.000 -0.868 0.000 1.409 92 I HN 0.031 nan 8.210 nan 0.000 0.523 93 P HA 0.223 nan 4.420 nan 0.000 0.276 93 P C 0.302 177.532 177.300 -0.117 0.000 1.244 93 P CA -0.439 62.580 63.100 -0.136 0.000 0.801 93 P CB 1.287 32.955 31.700 -0.055 0.000 1.006 94 A N 2.118 124.890 122.820 -0.081 0.000 1.848 94 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 94 A C 0.929 178.482 177.584 -0.052 0.000 1.220 94 A CA 2.395 54.392 52.037 -0.065 0.000 0.645 94 A CB -0.997 17.975 19.000 -0.047 0.000 0.842 94 A HN 0.606 nan 8.150 nan 0.000 0.451 95 V N -1.856 118.037 119.914 -0.035 0.000 2.827 95 V HA 0.329 4.449 4.120 -0.000 0.000 0.250 95 V C -0.845 175.239 176.094 -0.016 0.000 1.755 95 V CA -0.079 62.208 62.300 -0.021 0.000 0.888 95 V CB 1.203 33.014 31.823 -0.020 0.000 1.303 95 V HN 0.451 nan 8.190 nan 0.000 0.470 96 S N 4.803 120.496 115.700 -0.010 0.000 2.700 96 S HA 0.418 4.888 4.470 -0.000 0.000 0.321 96 S C 0.228 174.820 174.600 -0.013 0.000 1.161 96 S CA 1.050 59.242 58.200 -0.013 0.000 1.078 96 S CB -0.323 62.867 63.200 -0.017 0.000 1.302 96 S HN 1.267 nan 8.310 nan 0.000 0.540 97 E N 2.537 122.729 120.200 -0.013 0.000 3.675 97 E HA -0.248 4.102 4.350 -0.000 0.000 0.252 97 E C 0.674 177.269 176.600 -0.009 0.000 1.502 97 E CA 1.685 58.079 56.400 -0.011 0.000 2.293 97 E CB -1.071 28.622 29.700 -0.012 0.000 2.078 97 E HN 0.664 nan 8.360 nan 0.000 0.461 98 G N 0.562 109.357 108.800 -0.009 0.000 2.909 98 G HA2 0.338 4.298 3.960 -0.000 0.000 0.269 98 G HA3 0.338 4.298 3.960 -0.000 0.000 0.269 98 G C -0.258 174.639 174.900 -0.005 0.000 0.726 98 G CA 0.500 45.596 45.100 -0.007 0.000 2.082 98 G HN 0.605 nan 8.290 nan 0.000 0.588 99 S N 1.703 117.401 115.700 -0.002 0.000 2.545 99 S HA 0.433 4.903 4.470 -0.000 0.000 0.275 99 S C 0.442 175.046 174.600 0.006 0.000 1.299 99 S CA -0.847 57.354 58.200 0.003 0.000 1.048 99 S CB 1.741 64.945 63.200 0.007 0.000 0.938 99 S HN 0.405 nan 8.310 nan 0.000 0.496 100 M N 2.796 122.401 119.600 0.008 0.000 2.269 100 M HA 0.031 4.511 4.480 -0.000 0.000 0.350 100 M C 0.337 176.650 176.300 0.020 0.000 1.429 100 M CA 0.206 55.512 55.300 0.010 0.000 1.063 100 M CB 0.296 32.899 32.600 0.005 0.000 1.841 100 M HN 0.760 nan 8.290 nan 0.000 0.455 101 Q N 3.509 123.321 119.800 0.021 0.000 2.286 101 Q HA 0.265 4.605 4.340 -0.000 0.000 0.267 101 Q C -1.320 174.704 176.000 0.040 0.000 1.028 101 Q CA -0.199 55.618 55.803 0.023 0.000 0.901 101 Q CB 0.682 29.430 28.738 0.017 0.000 1.183 101 Q HN 0.531 nan 8.270 nan 0.000 0.392 102 V N 3.294 123.227 119.914 0.032 0.000 2.417 102 V HA 0.191 4.311 4.120 -0.000 0.000 0.291 102 V C -0.459 175.633 176.094 -0.002 0.000 1.024 102 V CA -0.880 61.441 62.300 0.035 0.000 0.861 102 V CB 1.679 33.521 31.823 0.031 0.000 0.985 102 V HN 0.704 nan 8.190 nan 0.000 0.436 103 D N 3.815 124.204 120.400 -0.018 0.000 2.392 103 D HA 0.550 5.190 4.640 -0.000 0.000 0.228 103 D C 0.949 177.192 176.300 -0.095 0.000 1.074 103 D CA 0.005 53.974 54.000 -0.052 0.000 0.838 103 D CB 1.962 42.734 40.800 -0.046 0.000 1.067 103 D HN 0.558 nan 8.370 nan 0.000 0.511 104 A N 3.145 125.891 122.820 -0.124 0.000 2.032 104 A HA -0.172 4.148 4.320 -0.000 0.000 0.221 104 A C 2.097 179.545 177.584 -0.226 0.000 1.165 104 A CA 1.762 53.675 52.037 -0.207 0.000 0.645 104 A CB -0.535 18.302 19.000 -0.272 0.000 0.807 104 A HN 0.592 nan 8.150 nan 0.000 0.453 105 S N 0.475 116.088 115.700 -0.145 0.000 2.365 105 S HA -0.163 4.307 4.470 -0.000 0.000 0.221 105 S C 1.083 175.662 174.600 -0.036 0.000 1.037 105 S CA 1.733 59.889 58.200 -0.072 0.000 1.060 105 S CB -0.300 62.876 63.200 -0.039 0.000 0.974 105 S HN 0.837 nan 8.310 nan 0.000 0.427 106 K N 2.406 122.756 120.400 -0.083 0.000 2.459 106 K HA 0.487 4.807 4.320 -0.000 0.000 0.218 106 K C -0.307 176.146 176.600 -0.245 0.000 1.067 106 K CA -0.564 55.654 56.287 -0.116 0.000 1.045 106 K CB 0.582 33.015 32.500 -0.112 0.000 1.623 106 K HN 0.182 nan 8.250 nan 0.000 0.509 107 V N -0.673 119.134 119.914 -0.177 0.000 3.566 107 V HA 0.096 4.216 4.120 -0.000 0.000 0.301 107 V C -0.104 175.813 176.094 -0.295 0.000 1.105 107 V CA -0.402 61.770 62.300 -0.212 0.000 1.142 107 V CB -0.211 31.580 31.823 -0.054 0.000 1.107 107 V HN 0.566 nan 8.190 nan 0.000 0.481 108 H N 1.865 120.937 119.070 0.003 0.000 2.467 108 H HA 0.408 4.964 4.556 -0.000 0.000 0.326 108 H C -1.798 173.532 175.328 0.004 0.000 1.094 108 H CA -1.827 54.224 56.048 0.003 0.000 1.253 108 H CB 0.985 30.747 29.762 0.001 0.000 1.439 108 H HN 0.494 nan 8.280 nan 0.000 0.479 109 P HA -0.028 nan 4.420 nan 0.000 0.242 109 P C 0.245 177.580 177.300 0.057 0.000 1.198 109 P CA 0.590 63.725 63.100 0.058 0.000 0.756 109 P CB 0.279 32.002 31.700 0.039 0.000 0.911 110 G N -1.043 107.807 108.800 0.083 0.000 2.725 110 G HA2 0.442 4.402 3.960 -0.000 0.000 0.288 110 G HA3 0.442 4.402 3.960 -0.000 0.000 0.288 110 G C -0.916 174.007 174.900 0.038 0.000 1.399 110 G CA -0.529 44.599 45.100 0.046 0.000 0.859 110 G HN -0.132 nan 8.290 nan 0.000 0.479 111 V N -0.057 119.863 119.914 0.010 0.000 3.139 111 V HA 0.217 4.337 4.120 -0.000 0.000 0.307 111 V C 0.718 176.790 176.094 -0.037 0.000 1.095 111 V CA 0.606 62.906 62.300 -0.001 0.000 1.160 111 V CB 0.931 32.751 31.823 -0.005 0.000 1.003 111 V HN 0.741 nan 8.190 nan 0.000 0.489 112 I N -0.199 120.349 120.570 -0.037 0.000 3.768 112 I HA 0.395 4.565 4.170 -0.000 0.000 0.328 112 I C 0.169 176.262 176.117 -0.040 0.000 1.413 112 I CA 0.104 61.352 61.300 -0.086 0.000 1.003 112 I CB -0.406 37.510 38.000 -0.141 0.000 1.727 112 I HN 0.674 nan 8.210 nan 0.000 0.657 113 S N -1.069 114.622 115.700 -0.014 0.000 2.721 113 S HA 0.897 5.367 4.470 -0.000 0.000 0.283 113 S C -0.235 174.373 174.600 0.013 0.000 1.220 113 S CA -0.310 57.892 58.200 0.003 0.000 1.138 113 S CB 0.750 63.962 63.200 0.019 0.000 1.284 113 S HN 0.676 nan 8.310 nan 0.000 0.459 114 G N -0.688 108.129 108.800 0.028 0.000 2.815 114 G HA2 0.594 4.554 3.960 -0.000 0.000 0.305 114 G HA3 0.594 4.554 3.960 -0.000 0.000 0.305 114 G C -0.243 174.696 174.900 0.064 0.000 1.277 114 G CA -0.088 45.034 45.100 0.036 0.000 0.795 114 G HN 0.906 nan 8.290 nan 0.000 0.528 115 L N -0.341 120.925 121.223 0.073 0.000 2.127 115 L HA 0.279 4.619 4.340 -0.000 0.000 0.203 115 L C 2.081 179.012 176.870 0.100 0.000 1.080 115 L CA 1.645 56.560 54.840 0.125 0.000 0.768 115 L CB -0.502 41.625 42.059 0.114 0.000 0.924 115 L HN 0.521 nan 8.230 nan 0.000 0.444 116 N N -1.260 117.466 118.700 0.044 0.000 2.446 116 N HA 0.015 4.755 4.740 -0.000 0.000 0.179 116 N C 0.155 175.660 175.510 -0.009 0.000 1.054 116 N CA 0.321 53.372 53.050 0.002 0.000 0.905 116 N CB 0.049 38.537 38.487 0.000 0.000 0.973 116 N HN 0.130 nan 8.380 nan 0.000 0.448 117 S N 2.468 118.175 115.700 0.012 0.000 2.506 117 S HA 0.118 4.588 4.470 -0.000 0.000 0.291 117 S C -2.318 172.286 174.600 0.007 0.000 1.230 117 S CA -0.789 57.415 58.200 0.008 0.000 1.107 117 S CB 0.370 63.579 63.200 0.015 0.000 0.942 117 S HN 0.106 nan 8.310 nan 0.000 0.502 118 P HA 0.387 nan 4.420 nan 0.000 0.267 118 P C -0.706 176.601 177.300 0.012 0.000 1.205 118 P CA 0.030 63.123 63.100 -0.011 0.000 0.765 118 P CB 0.597 32.286 31.700 -0.018 0.000 0.828 119 A N 2.377 125.215 122.820 0.030 0.000 2.594 119 A HA 0.817 5.137 4.320 -0.000 0.000 0.291 119 A C -0.788 176.827 177.584 0.051 0.000 1.105 119 A CA -0.403 51.658 52.037 0.040 0.000 0.694 119 A CB 1.113 20.144 19.000 0.051 0.000 1.291 119 A HN 0.723 nan 8.150 nan 0.000 0.410 120 c N -0.709 117.917 118.600 0.043 0.000 3.288 120 c HA 0.886 5.456 4.570 -0.000 0.000 0.318 120 c C -0.739 173.370 174.090 0.032 0.000 1.356 120 c CA -0.815 55.541 56.329 0.045 0.000 1.359 120 c CB 0.542 43.071 42.510 0.031 0.000 1.688 120 c HN 0.941 nan 8.230 nan 0.000 0.467 121 M N 1.948 121.565 119.600 0.029 0.000 2.436 121 M HA 0.509 4.989 4.480 -0.000 0.000 0.331 121 M C -0.654 175.647 176.300 0.003 0.000 1.135 121 M CA -0.548 54.756 55.300 0.006 0.000 0.987 121 M CB 1.773 34.365 32.600 -0.014 0.000 1.687 121 M HN 0.649 nan 8.290 nan 0.000 0.445 122 L N 1.527 122.745 121.223 -0.009 0.000 2.455 122 L HA 0.120 4.460 4.340 -0.000 0.000 0.272 122 L C 1.156 178.020 176.870 -0.010 0.000 1.174 122 L CA -0.135 54.699 54.840 -0.011 0.000 0.869 122 L CB 0.867 42.916 42.059 -0.016 0.000 1.130 122 L HN 0.864 nan 8.230 nan 0.000 0.474 123 S N 2.153 117.849 115.700 -0.007 0.000 2.355 123 S HA -0.173 4.297 4.470 -0.000 0.000 0.222 123 S C 2.078 176.675 174.600 -0.005 0.000 1.031 123 S CA 1.108 59.308 58.200 0.001 0.000 0.993 123 S CB -0.167 63.027 63.200 -0.011 0.000 0.859 123 S HN 0.832 nan 8.310 nan 0.000 0.453 124 A N 2.846 125.656 122.820 -0.016 0.000 1.896 124 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 124 A C 0.486 178.057 177.584 -0.021 0.000 1.206 124 A CA 2.090 54.114 52.037 -0.021 0.000 0.647 124 A CB -1.826 17.161 19.000 -0.021 0.000 0.828 124 A HN 0.536 nan 8.150 nan 0.000 0.455 125 P HA -0.036 nan 4.420 nan 0.000 0.216 125 P C 1.763 179.036 177.300 -0.045 0.000 1.156 125 P CA 0.973 64.048 63.100 -0.041 0.000 0.855 125 P CB -0.188 31.477 31.700 -0.058 0.000 0.786 126 L N 0.913 122.113 121.223 -0.038 0.000 2.013 126 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 126 L C 2.584 179.489 176.870 0.059 0.000 1.073 126 L CA 2.210 57.036 54.840 -0.024 0.000 0.753 126 L CB -1.471 40.589 42.059 0.002 0.000 0.890 126 L HN -0.121 nan 8.230 nan 0.000 0.432 127 E N -0.091 120.162 120.200 0.088 0.000 2.031 127 E HA -0.283 4.067 4.350 -0.000 0.000 0.193 127 E C 2.296 179.003 176.600 0.178 0.000 0.994 127 E CA 1.723 58.225 56.400 0.172 0.000 0.800 127 E CB -0.299 29.442 29.700 0.068 0.000 0.752 127 E HN 0.458 nan 8.360 nan 0.000 0.447 128 K N -0.158 120.275 120.400 0.055 0.000 2.281 128 K HA -0.223 4.097 4.320 -0.000 0.000 0.203 128 K C 2.154 178.798 176.600 0.073 0.000 1.046 128 K CA 1.465 57.759 56.287 0.011 0.000 0.938 128 K CB -0.019 32.460 32.500 -0.035 0.000 0.737 128 K HN 0.181 nan 8.250 nan 0.000 0.458 129 Q N 0.032 119.869 119.800 0.062 0.000 2.123 129 Q HA 0.006 4.346 4.340 -0.000 0.000 0.196 129 Q C 2.013 178.066 176.000 0.089 0.000 0.958 129 Q CA 0.568 56.391 55.803 0.033 0.000 0.841 129 Q CB 0.166 28.823 28.738 -0.134 0.000 0.915 129 Q HN 0.293 nan 8.270 nan 0.000 0.455 130 L N -0.430 120.879 121.223 0.142 0.000 1.976 130 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 130 L C 0.708 177.595 176.870 0.028 0.000 1.071 130 L CA 0.891 55.804 54.840 0.121 0.000 0.746 130 L CB -0.239 41.953 42.059 0.221 0.000 0.890 130 L HN 0.181 nan 8.230 nan 0.000 0.432 131 F N -0.580 119.437 119.950 0.111 0.000 2.733 131 F HA 0.025 4.552 4.527 -0.000 0.000 0.344 131 F C 1.310 177.167 175.800 0.096 0.000 1.179 131 F CA -0.400 57.672 58.000 0.120 0.000 1.316 131 F CB -0.899 38.165 39.000 0.107 0.000 1.577 131 F HN 0.027 nan 8.300 nan 0.000 0.591 132 Y N 0.220 120.529 120.300 0.015 0.000 2.263 132 Y HA -0.028 4.522 4.550 -0.000 0.000 0.292 132 Y C 0.458 176.350 175.900 -0.014 0.000 1.130 132 Y CA 0.459 58.505 58.100 -0.090 0.000 1.179 132 Y CB -0.498 37.773 38.460 -0.314 0.000 0.998 132 Y HN 0.132 nan 8.280 nan 0.000 0.532 133 Y N 1.309 121.583 120.300 -0.042 0.000 2.397 133 Y HA 0.315 4.865 4.550 -0.000 0.000 0.335 133 Y C 0.107 175.970 175.900 -0.061 0.000 1.213 133 Y CA -0.458 57.543 58.100 -0.165 0.000 1.391 133 Y CB 0.491 38.889 38.460 -0.104 0.000 1.293 133 Y HN -0.191 nan 8.280 nan 0.000 0.557 134 I N 1.130 121.715 120.570 0.024 0.000 2.648 134 I HA 0.731 4.901 4.170 -0.000 0.000 0.304 134 I C 0.520 176.629 176.117 -0.013 0.000 1.009 134 I CA -0.332 60.914 61.300 -0.091 0.000 1.114 134 I CB 2.029 39.892 38.000 -0.229 0.000 1.293 134 I HN 0.815 nan 8.210 nan 0.000 0.449 135 G N 2.284 111.076 108.800 -0.014 0.000 2.791 135 G HA2 0.504 4.464 3.960 -0.000 0.000 0.158 135 G HA3 0.504 4.464 3.960 -0.000 0.000 0.158 135 G C -1.380 173.534 174.900 0.023 0.000 1.193 135 G CA -0.261 44.854 45.100 0.026 0.000 1.032 135 G HN 0.419 nan 8.290 nan 0.000 0.557 136 T N 1.755 116.333 114.554 0.040 0.000 3.089 136 T HA 0.271 4.621 4.350 -0.000 0.000 0.340 136 T C 1.041 175.767 174.700 0.043 0.000 1.008 136 T CA -0.570 61.555 62.100 0.041 0.000 1.096 136 T CB 1.330 70.222 68.868 0.038 0.000 1.024 136 T HN 0.260 nan 8.240 nan 0.000 0.477 137 M N 1.649 121.273 119.600 0.039 0.000 2.149 137 M HA 0.092 4.572 4.480 -0.000 0.000 0.261 137 M C 0.532 176.856 176.300 0.041 0.000 1.064 137 M CA 1.374 56.686 55.300 0.019 0.000 1.102 137 M CB -0.742 31.884 32.600 0.044 0.000 1.369 137 M HN 0.506 nan 8.290 nan 0.000 0.408 138 L N 1.413 122.678 121.223 0.069 0.000 2.301 138 L HA 0.331 4.671 4.340 -0.000 0.000 0.278 138 L C -1.956 175.002 176.870 0.146 0.000 1.022 138 L CA -1.850 53.059 54.840 0.114 0.000 0.854 138 L CB 0.877 43.003 42.059 0.111 0.000 1.226 138 L HN -0.035 nan 8.230 nan 0.000 0.429 139 P HA 0.020 nan 4.420 nan 0.000 0.288 139 P C -0.359 176.978 177.300 0.062 0.000 1.291 139 P CA -0.245 62.905 63.100 0.084 0.000 0.766 139 P CB 1.027 32.748 31.700 0.034 0.000 1.242 140 N N -1.588 117.111 118.700 -0.003 0.000 2.273 140 N HA 0.053 4.793 4.740 -0.000 0.000 0.231 140 N C -0.253 175.207 175.510 -0.084 0.000 1.134 140 N CA -0.115 52.921 53.050 -0.024 0.000 0.856 140 N CB -0.540 37.936 38.487 -0.019 0.000 1.068 140 N HN 0.397 nan 8.380 nan 0.000 0.510 141 T N -2.354 112.122 114.554 -0.130 0.000 2.918 141 T HA 0.173 4.523 4.350 -0.000 0.000 0.302 141 T C 1.523 176.074 174.700 -0.249 0.000 1.045 141 T CA -0.374 61.604 62.100 -0.203 0.000 1.114 141 T CB 1.167 69.848 68.868 -0.312 0.000 0.965 141 T HN 0.121 nan 8.240 nan 0.000 0.540 142 R N 2.197 122.539 120.500 -0.264 0.000 2.133 142 R HA -0.101 4.239 4.340 -0.000 0.000 0.245 142 R C -0.401 175.539 176.300 -0.599 0.000 1.137 142 R CA 2.114 57.944 56.100 -0.449 0.000 0.947 142 R CB -1.847 28.294 30.300 -0.266 0.000 0.865 142 R HN 0.672 nan 8.270 nan 0.000 0.437 143 P HA -0.207 nan 4.420 nan 0.000 0.212 143 P C 0.823 178.124 177.300 0.002 0.000 1.178 143 P CA 1.788 64.850 63.100 -0.063 0.000 0.915 143 P CB -0.393 31.325 31.700 0.030 0.000 0.788 144 H N -0.363 118.653 119.070 -0.089 0.000 2.321 144 H HA -0.030 4.526 4.556 -0.000 0.000 0.300 144 H C 2.349 177.639 175.328 -0.063 0.000 1.087 144 H CA 0.947 56.983 56.048 -0.020 0.000 1.319 144 H CB -0.402 29.419 29.762 0.098 0.000 1.379 144 H HN 0.141 nan 8.280 nan 0.000 0.501 145 S N 0.377 116.078 115.700 0.001 0.000 2.462 145 S HA -0.170 4.300 4.470 -0.000 0.000 0.243 145 S C 1.303 175.920 174.600 0.029 0.000 1.003 145 S CA 1.035 59.212 58.200 -0.038 0.000 0.970 145 S CB -0.238 62.880 63.200 -0.136 0.000 0.762 145 S HN 0.397 nan 8.310 nan 0.000 0.510 146 Y N -0.066 120.218 120.300 -0.027 0.000 2.448 146 Y HA 0.178 4.728 4.550 -0.000 0.000 0.289 146 Y C 2.160 177.997 175.900 -0.106 0.000 1.114 146 Y CA -0.524 57.564 58.100 -0.020 0.000 1.235 146 Y CB -0.557 37.922 38.460 0.032 0.000 1.045 146 Y HN 0.088 nan 8.280 nan 0.000 0.554 147 V N -1.808 117.950 119.914 -0.260 0.000 2.602 147 V HA 0.017 4.137 4.120 -0.000 0.000 0.235 147 V C 0.409 176.119 176.094 -0.641 0.000 1.087 147 V CA 0.407 62.204 62.300 -0.839 0.000 1.117 147 V CB -0.365 30.602 31.823 -1.426 0.000 0.820 147 V HN -0.143 nan 8.190 nan 0.000 0.490 148 F N -1.316 118.510 119.950 -0.207 0.000 2.368 148 F HA 0.481 5.008 4.527 -0.000 0.000 0.315 148 F C -0.209 175.528 175.800 -0.106 0.000 1.145 148 F CA -1.122 56.799 58.000 -0.131 0.000 1.095 148 F CB 0.073 39.028 39.000 -0.076 0.000 1.286 148 F HN -0.033 nan 8.300 nan 0.000 0.530 149 Y N 1.277 121.715 120.300 0.230 0.000 2.341 149 Y HA 0.185 4.735 4.550 -0.000 0.000 0.340 149 Y C 0.194 176.168 175.900 0.122 0.000 0.997 149 Y CA -0.766 57.415 58.100 0.134 0.000 1.149 149 Y CB 0.494 39.013 38.460 0.099 0.000 1.171 149 Y HN 0.353 nan 8.280 nan 0.000 0.494 150 Q N 3.420 123.375 119.800 0.258 0.000 2.859 150 Q HA -0.113 4.227 4.340 -0.000 0.000 0.364 150 Q C -0.833 175.262 176.000 0.158 0.000 1.067 150 Q CA 0.704 56.612 55.803 0.175 0.000 1.162 150 Q CB 0.347 29.166 28.738 0.136 0.000 1.023 150 Q HN 0.555 nan 8.270 nan 0.000 0.415 151 L N 3.251 124.551 121.223 0.128 0.000 2.354 151 L HA 0.576 4.916 4.340 -0.000 0.000 0.269 151 L C -0.805 176.112 176.870 0.078 0.000 1.005 151 L CA -0.394 54.511 54.840 0.108 0.000 0.819 151 L CB 1.897 44.033 42.059 0.128 0.000 1.311 151 L HN 0.619 nan 8.230 nan 0.000 0.423 152 R N 4.519 125.054 120.500 0.059 0.000 2.518 152 R HA 0.698 5.038 4.340 -0.000 0.000 0.296 152 R C -1.922 174.379 176.300 0.002 0.000 1.080 152 R CA -0.347 55.768 56.100 0.025 0.000 0.922 152 R CB 0.837 31.143 30.300 0.010 0.000 1.184 152 R HN 0.935 nan 8.270 nan 0.000 0.445 153 C N 0.331 119.626 119.300 -0.008 0.000 3.318 153 C HA 0.546 5.006 4.460 -0.000 0.000 0.322 153 C C -0.200 174.771 174.990 -0.031 0.000 1.398 153 C CA -1.241 57.764 59.018 -0.022 0.000 1.339 153 C CB 1.388 29.164 27.740 0.060 0.000 1.668 153 C HN 0.766 nan 8.230 nan 0.000 0.462 154 H N 1.210 120.321 119.070 0.068 0.000 3.001 154 H HA 0.430 4.986 4.556 -0.000 0.000 0.334 154 H C -0.078 175.392 175.328 0.237 0.000 1.034 154 H CA 1.063 57.187 56.048 0.127 0.000 1.420 154 H CB 0.573 30.417 29.762 0.137 0.000 1.405 154 H HN 0.619 nan 8.280 nan 0.000 0.593 155 L N 0.081 121.527 121.223 0.371 0.000 2.598 155 L HA 0.690 5.030 4.340 -0.000 0.000 0.246 155 L C -0.507 176.439 176.870 0.126 0.000 1.124 155 L CA -1.071 53.985 54.840 0.360 0.000 1.019 155 L CB 0.750 42.899 42.059 0.149 0.000 1.583 155 L HN 0.610 nan 8.230 nan 0.000 0.386 156 S N -1.271 114.410 115.700 -0.032 0.000 2.556 156 S HA 0.775 5.245 4.470 -0.000 0.000 0.280 156 S C -1.553 172.935 174.600 -0.187 0.000 1.141 156 S CA -0.633 57.421 58.200 -0.244 0.000 0.883 156 S CB 0.915 63.916 63.200 -0.332 0.000 1.103 156 S HN 1.492 nan 8.310 nan 0.000 0.453 157 Y N -0.666 119.543 120.300 -0.152 0.000 2.665 157 Y HA 0.903 5.453 4.550 -0.000 0.000 0.336 157 Y C -1.236 174.509 175.900 -0.258 0.000 1.085 157 Y CA -1.999 55.982 58.100 -0.197 0.000 1.096 157 Y CB 0.672 39.017 38.460 -0.193 0.000 1.301 157 Y HN 0.567 nan 8.280 nan 0.000 0.493 158 V N 1.559 121.493 119.914 0.033 0.000 2.357 158 V HA 0.760 4.880 4.120 -0.000 0.000 0.281 158 V C 0.123 176.136 176.094 -0.135 0.000 1.015 158 V CA -0.877 61.363 62.300 -0.101 0.000 0.827 158 V CB 0.224 31.931 31.823 -0.192 0.000 1.018 158 V HN 1.107 nan 8.190 nan 0.000 0.432 159 A N 4.922 127.697 122.820 -0.075 0.000 2.388 159 A HA 0.822 5.142 4.320 -0.000 0.000 0.257 159 A C -0.759 176.786 177.584 -0.065 0.000 1.095 159 A CA -0.111 51.833 52.037 -0.155 0.000 0.791 159 A CB 0.907 19.816 19.000 -0.153 0.000 1.029 159 A HN 0.826 nan 8.150 nan 0.000 0.489 160 L N 1.252 122.437 121.223 -0.063 0.000 2.472 160 L HA 0.720 5.060 4.340 -0.000 0.000 0.260 160 L C -0.466 176.405 176.870 0.003 0.000 0.963 160 L CA 0.212 55.069 54.840 0.029 0.000 0.829 160 L CB 2.291 44.430 42.059 0.134 0.000 1.348 160 L HN 0.681 nan 8.230 nan 0.000 0.408 161 S N 4.692 120.412 115.700 0.033 0.000 2.706 161 S HA 0.821 5.291 4.470 -0.000 0.000 0.270 161 S C -1.261 173.377 174.600 0.063 0.000 1.163 161 S CA -0.560 57.658 58.200 0.031 0.000 1.042 161 S CB 0.387 63.588 63.200 0.002 0.000 1.079 161 S HN 0.428 nan 8.310 nan 0.000 0.474 162 I N 3.101 123.737 120.570 0.110 0.000 3.067 162 I HA 0.549 4.719 4.170 -0.000 0.000 0.312 162 I C 0.736 176.895 176.117 0.070 0.000 1.073 162 I CA -0.899 60.448 61.300 0.078 0.000 1.016 162 I CB 1.090 39.112 38.000 0.037 0.000 1.227 162 I HN 0.767 nan 8.210 nan 0.000 0.456 163 N N 1.999 120.709 118.700 0.017 0.000 2.678 163 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 163 N C 0.600 176.117 175.510 0.011 0.000 1.119 163 N CA 1.407 54.456 53.050 -0.002 0.000 0.718 163 N CB -1.168 37.307 38.487 -0.021 0.000 1.060 163 N HN 1.134 nan 8.380 nan 0.000 0.552 164 G N 0.375 109.185 108.800 0.017 0.000 2.392 164 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.290 164 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.290 164 G C 0.138 175.043 174.900 0.008 0.000 1.032 164 G CA 0.189 45.295 45.100 0.009 0.000 1.269 164 G HN 0.526 nan 8.290 nan 0.000 0.511 165 D N -1.394 119.013 120.400 0.011 0.000 3.070 165 D HA -0.185 4.455 4.640 -0.000 0.000 0.220 165 D C 1.624 177.927 176.300 0.004 0.000 1.176 165 D CA 1.805 55.802 54.000 -0.004 0.000 0.924 165 D CB -0.347 40.442 40.800 -0.020 0.000 1.124 165 D HN 0.748 nan 8.370 nan 0.000 0.411 166 K N -0.863 119.557 120.400 0.033 0.000 2.400 166 K HA 0.082 4.402 4.320 -0.000 0.000 0.194 166 K C 0.552 177.223 176.600 0.118 0.000 1.033 166 K CA 0.310 56.623 56.287 0.043 0.000 1.021 166 K CB 0.557 33.073 32.500 0.026 0.000 0.808 166 K HN 0.172 nan 8.250 nan 0.000 0.505 167 F N 1.550 121.473 119.950 -0.045 0.000 2.615 167 F HA 0.171 4.698 4.527 -0.000 0.000 0.312 167 F C -1.946 173.852 175.800 -0.003 0.000 1.119 167 F CA -0.689 57.295 58.000 -0.027 0.000 0.979 167 F CB 1.538 40.494 39.000 -0.073 0.000 1.266 167 F HN -0.121 nan 8.300 nan 0.000 0.444 168 Q N 4.918 124.298 119.800 -0.701 0.000 2.435 168 Q HA 0.438 4.778 4.340 -0.000 0.000 0.282 168 Q C -2.337 173.430 176.000 -0.388 0.000 1.020 168 Q CA -1.054 54.513 55.803 -0.392 0.000 0.820 168 Q CB 3.086 31.701 28.738 -0.204 0.000 1.436 168 Q HN 0.706 nan 8.270 nan 0.000 0.395 169 Y N 0.423 120.561 120.300 -0.270 0.000 2.499 169 Y HA 0.673 5.223 4.550 -0.000 0.000 0.347 169 Y C -1.510 174.303 175.900 -0.145 0.000 0.987 169 Y CA -0.598 57.406 58.100 -0.159 0.000 1.044 169 Y CB 2.782 41.263 38.460 0.035 0.000 1.245 169 Y HN 0.757 nan 8.280 nan 0.000 0.461 170 T N 3.878 117.897 114.554 -0.891 0.000 2.890 170 T HA 0.399 4.749 4.350 -0.000 0.000 0.295 170 T C -0.123 174.023 174.700 -0.923 0.000 0.993 170 T CA -0.419 61.221 62.100 -0.767 0.000 0.979 170 T CB 1.073 69.683 68.868 -0.431 0.000 0.967 170 T HN 0.945 nan 8.240 nan 0.000 0.441 171 G N 2.227 110.596 108.800 -0.718 0.000 3.506 171 G HA2 0.504 4.464 3.960 -0.000 0.000 0.268 171 G HA3 0.504 4.464 3.960 -0.000 0.000 0.268 171 G C 0.420 175.239 174.900 -0.136 0.000 0.959 171 G CA -0.572 44.305 45.100 -0.372 0.000 1.823 171 G HN 0.979 nan 8.290 nan 0.000 0.615 172 A N 2.790 125.537 122.820 -0.121 0.000 2.454 172 A HA 0.670 4.990 4.320 -0.000 0.000 0.260 172 A C 0.348 177.875 177.584 -0.094 0.000 1.106 172 A CA -0.076 51.932 52.037 -0.049 0.000 0.780 172 A CB -0.011 18.956 19.000 -0.056 0.000 1.044 172 A HN 0.981 nan 8.150 nan 0.000 0.498 173 M N 1.794 121.356 119.600 -0.065 0.000 2.470 173 M HA 0.693 5.173 4.480 -0.000 0.000 0.285 173 M C -0.708 175.640 176.300 0.081 0.000 1.213 173 M CA -0.434 54.812 55.300 -0.090 0.000 0.901 173 M CB 1.931 34.575 32.600 0.074 0.000 1.718 173 M HN 0.497 nan 8.290 nan 0.000 0.469 174 T N -0.458 114.084 114.554 -0.020 0.000 2.883 174 T HA 0.485 4.835 4.350 -0.000 0.000 0.284 174 T C 0.967 175.776 174.700 0.182 0.000 1.041 174 T CA 0.106 62.286 62.100 0.133 0.000 1.007 174 T CB 1.496 70.247 68.868 -0.195 0.000 1.220 174 T HN 0.937 nan 8.240 nan 0.000 0.552 175 S N 0.302 115.789 115.700 -0.356 0.000 2.547 175 S HA 0.059 4.529 4.470 -0.000 0.000 0.235 175 S C 1.283 175.980 174.600 0.161 0.000 0.980 175 S CA 0.730 58.709 58.200 -0.368 0.000 0.941 175 S CB -0.274 62.537 63.200 -0.648 0.000 0.763 175 S HN 0.682 nan 8.310 nan 0.000 0.532 176 K N -0.259 120.314 120.400 0.287 0.000 2.424 176 K HA 0.322 4.642 4.320 -0.000 0.000 0.198 176 K C -0.180 176.786 176.600 0.610 0.000 1.190 176 K CA 0.200 56.772 56.287 0.475 0.000 0.935 176 K CB 0.768 33.475 32.500 0.344 0.000 1.087 176 K HN 0.590 nan 8.250 nan 0.000 0.524 177 F N -0.375 119.699 119.950 0.207 0.000 2.654 177 F HA 0.543 5.070 4.527 -0.000 0.000 0.308 177 F C -1.549 173.931 175.800 -0.534 0.000 1.108 177 F CA -1.693 56.182 58.000 -0.208 0.000 0.957 177 F CB 0.920 39.835 39.000 -0.141 0.000 1.309 177 F HN -0.297 nan 8.300 nan 0.000 0.446 178 L N 4.225 124.958 121.223 -0.817 0.000 2.331 178 L HA 0.750 5.090 4.340 -0.000 0.000 0.275 178 L C -1.102 175.758 176.870 -0.017 0.000 1.022 178 L CA -0.694 53.815 54.840 -0.552 0.000 0.812 178 L CB 1.849 43.531 42.059 -0.628 0.000 1.257 178 L HN 0.920 nan 8.230 nan 0.000 0.435 179 M N 4.543 124.150 119.600 0.011 0.000 2.167 179 M HA 0.379 4.859 4.480 -0.000 0.000 0.218 179 M C -0.696 175.642 176.300 0.063 0.000 0.968 179 M CA -0.234 55.129 55.300 0.103 0.000 1.004 179 M CB 0.634 33.290 32.600 0.094 0.000 2.485 179 M HN 0.836 nan 8.290 nan 0.000 0.404 180 G N 2.175 111.078 108.800 0.172 0.000 2.444 180 G HA2 0.589 4.549 3.960 -0.000 0.000 0.268 180 G HA3 0.589 4.549 3.960 -0.000 0.000 0.268 180 G C -0.266 174.616 174.900 -0.030 0.000 1.203 180 G CA -0.099 45.070 45.100 0.115 0.000 0.835 180 G HN 0.627 nan 8.290 nan 0.000 0.543 181 T N -1.139 113.350 114.554 -0.109 0.000 2.861 181 T HA 0.585 4.935 4.350 -0.000 0.000 0.287 181 T C -1.112 173.503 174.700 -0.141 0.000 1.003 181 T CA -0.760 61.264 62.100 -0.128 0.000 0.977 181 T CB 1.401 70.270 68.868 0.001 0.000 0.996 181 T HN 0.325 nan 8.240 nan 0.000 0.448 182 Y N 1.274 121.557 120.300 -0.029 0.000 2.387 182 Y HA 0.700 5.250 4.550 -0.000 0.000 0.330 182 Y C 0.556 176.438 175.900 -0.029 0.000 1.133 182 Y CA -1.239 56.796 58.100 -0.108 0.000 1.152 182 Y CB 1.742 40.023 38.460 -0.297 0.000 1.215 182 Y HN 0.751 nan 8.280 nan 0.000 0.466 183 K N 3.585 123.992 120.400 0.011 0.000 2.652 183 K HA 0.419 4.739 4.320 -0.000 0.000 0.249 183 K C -1.239 175.307 176.600 -0.090 0.000 0.986 183 K CA -0.671 55.613 56.287 -0.005 0.000 0.867 183 K CB 1.361 33.791 32.500 -0.118 0.000 1.201 183 K HN 0.784 nan 8.250 nan 0.000 0.450 184 R N 2.805 123.367 120.500 0.105 0.000 2.873 184 R HA 0.680 5.020 4.340 -0.000 0.000 0.264 184 R C -1.453 174.882 176.300 0.059 0.000 1.026 184 R CA -0.706 55.479 56.100 0.142 0.000 1.002 184 R CB 1.952 32.346 30.300 0.157 0.000 1.174 184 R HN 0.336 nan 8.270 nan 0.000 0.488 185 V N 1.890 121.835 119.914 0.052 0.000 2.612 185 V HA 0.231 4.351 4.120 -0.000 0.000 0.301 185 V C -0.059 176.045 176.094 0.016 0.000 1.059 185 V CA -0.832 61.475 62.300 0.012 0.000 0.886 185 V CB 1.885 33.702 31.823 -0.010 0.000 1.007 185 V HN 0.917 nan 8.190 nan 0.000 0.426 186 T N 2.462 117.031 114.554 0.025 0.000 2.698 186 T HA 0.110 4.460 4.350 -0.000 0.000 0.295 186 T C 1.322 176.023 174.700 0.001 0.000 1.007 186 T CA -0.494 61.621 62.100 0.025 0.000 0.980 186 T CB 0.630 69.529 68.868 0.053 0.000 1.036 186 T HN 0.732 nan 8.240 nan 0.000 0.526 187 E N 0.287 120.486 120.200 -0.002 0.000 2.171 187 E HA -0.092 4.258 4.350 -0.000 0.000 0.197 187 E C 0.863 177.458 176.600 -0.009 0.000 0.997 187 E CA 1.221 57.616 56.400 -0.008 0.000 0.810 187 E CB -0.114 29.582 29.700 -0.008 0.000 0.738 187 E HN 0.489 nan 8.360 nan 0.000 0.467 188 K N -0.408 119.988 120.400 -0.007 0.000 2.179 188 K HA 0.315 4.635 4.320 -0.000 0.000 0.238 188 K C 1.172 177.758 176.600 -0.023 0.000 1.033 188 K CA 0.247 56.527 56.287 -0.013 0.000 0.926 188 K CB 0.767 33.262 32.500 -0.008 0.000 1.151 188 K HN 0.018 nan 8.250 nan 0.000 0.492 189 G N 1.015 109.799 108.800 -0.027 0.000 3.028 189 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.205 189 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.205 189 G C -0.355 174.510 174.900 -0.058 0.000 1.182 189 G CA 0.079 45.157 45.100 -0.037 0.000 0.860 189 G HN 0.536 nan 8.290 nan 0.000 0.507 190 D N 0.627 120.984 120.400 -0.070 0.000 2.450 190 D HA 0.155 4.795 4.640 -0.000 0.000 0.247 190 D C 0.137 176.320 176.300 -0.195 0.000 1.162 190 D CA 0.530 54.443 54.000 -0.145 0.000 0.879 190 D CB 1.011 41.729 40.800 -0.136 0.000 1.163 190 D HN 0.362 nan 8.370 nan 0.000 0.472 191 E N 2.505 122.563 120.200 -0.236 0.000 2.186 191 E HA 0.135 4.485 4.350 -0.000 0.000 0.255 191 E C -0.875 175.580 176.600 -0.242 0.000 0.881 191 E CA -0.730 55.559 56.400 -0.185 0.000 0.752 191 E CB 0.477 30.111 29.700 -0.110 0.000 1.176 191 E HN 0.398 nan 8.360 nan 0.000 0.421 192 H N 2.685 121.732 119.070 -0.038 0.000 2.488 192 H HA 0.374 4.930 4.556 -0.000 0.000 0.322 192 H C -0.311 174.949 175.328 -0.114 0.000 1.078 192 H CA -0.537 55.423 56.048 -0.146 0.000 1.260 192 H CB 1.491 31.226 29.762 -0.045 0.000 1.425 192 H HN 0.334 nan 8.280 nan 0.000 0.471 193 V N 2.138 121.867 119.914 -0.310 0.000 2.841 193 V HA 0.646 4.766 4.120 -0.000 0.000 0.310 193 V C -0.986 175.130 176.094 0.038 0.000 1.090 193 V CA -0.996 61.300 62.300 -0.007 0.000 0.930 193 V CB 2.173 33.886 31.823 -0.182 0.000 1.014 193 V HN 0.458 nan 8.190 nan 0.000 0.425 194 L N 3.492 124.685 121.223 -0.050 0.000 2.493 194 L HA 0.957 5.297 4.340 -0.000 0.000 0.265 194 L C -0.415 176.393 176.870 -0.102 0.000 0.954 194 L CA 0.099 54.861 54.840 -0.130 0.000 0.844 194 L CB 2.181 43.949 42.059 -0.486 0.000 1.302 194 L HN 1.176 nan 8.230 nan 0.000 0.405 195 S N 4.259 119.960 115.700 0.001 0.000 2.599 195 S HA 0.886 5.356 4.470 -0.000 0.000 0.294 195 S C -0.897 173.667 174.600 -0.059 0.000 1.094 195 S CA -0.907 57.264 58.200 -0.048 0.000 0.931 195 S CB 1.749 64.997 63.200 0.079 0.000 1.093 195 S HN 0.714 nan 8.310 nan 0.000 0.488 196 L N 1.550 122.678 121.223 -0.159 0.000 2.346 196 L HA 0.708 5.048 4.340 -0.000 0.000 0.276 196 L C -1.229 175.643 176.870 0.002 0.000 1.006 196 L CA -1.097 53.635 54.840 -0.180 0.000 0.817 196 L CB 2.072 43.740 42.059 -0.651 0.000 1.272 196 L HN 0.546 nan 8.230 nan 0.000 0.421 197 V N 2.492 122.481 119.914 0.125 0.000 2.444 197 V HA 0.433 4.553 4.120 -0.000 0.000 0.294 197 V C -0.778 175.524 176.094 0.346 0.000 1.022 197 V CA -0.559 61.872 62.300 0.219 0.000 0.850 197 V CB 1.669 33.577 31.823 0.142 0.000 0.992 197 V HN 0.461 nan 8.190 nan 0.000 0.426 198 F N 3.148 123.243 119.950 0.241 0.000 2.522 198 F HA 0.982 5.509 4.527 -0.000 0.000 0.324 198 F C 0.374 176.278 175.800 0.173 0.000 1.077 198 F CA 0.327 58.490 58.000 0.272 0.000 0.944 198 F CB 2.101 41.315 39.000 0.357 0.000 1.175 198 F HN 0.862 nan 8.300 nan 0.000 0.468 199 G N 3.605 111.987 108.800 -0.696 0.000 2.352 199 G HA2 0.125 4.085 3.960 -0.000 0.000 0.302 199 G HA3 0.125 4.085 3.960 -0.000 0.000 0.302 199 G C -1.892 172.923 174.900 -0.141 0.000 1.370 199 G CA -1.322 43.583 45.100 -0.325 0.000 0.918 199 G HN 0.646 nan 8.290 nan 0.000 0.610 200 K N 0.877 121.181 120.400 -0.160 0.000 2.447 200 K HA 0.242 4.562 4.320 -0.000 0.000 0.281 200 K C 1.594 178.053 176.600 -0.234 0.000 1.031 200 K CA 0.508 56.560 56.287 -0.391 0.000 1.019 200 K CB 0.668 32.971 32.500 -0.329 0.000 0.918 200 K HN 0.517 nan 8.250 nan 0.000 0.476 201 T N 2.762 117.182 114.554 -0.223 0.000 2.751 201 T HA -0.258 4.092 4.350 -0.000 0.000 0.268 201 T C 1.619 176.199 174.700 -0.201 0.000 1.045 201 T CA 2.045 64.023 62.100 -0.202 0.000 1.142 201 T CB -0.172 68.615 68.868 -0.134 0.000 0.851 201 T HN 0.649 nan 8.240 nan 0.000 0.474 202 K N 1.121 121.427 120.400 -0.157 0.000 2.365 202 K HA -0.006 4.314 4.320 -0.000 0.000 0.199 202 K C 1.262 177.804 176.600 -0.096 0.000 1.045 202 K CA 1.313 57.535 56.287 -0.108 0.000 0.962 202 K CB 0.163 32.613 32.500 -0.083 0.000 0.759 202 K HN 0.167 nan 8.250 nan 0.000 0.469 203 D N 0.443 120.777 120.400 -0.110 0.000 2.349 203 D HA 0.067 4.707 4.640 -0.000 0.000 0.214 203 D C -0.186 175.978 176.300 -0.227 0.000 1.063 203 D CA -0.103 53.852 54.000 -0.075 0.000 0.847 203 D CB 0.161 40.993 40.800 0.054 0.000 0.933 203 D HN 0.079 nan 8.370 nan 0.000 0.513 204 L N 2.147 123.164 121.223 -0.343 0.000 2.514 204 L HA 0.075 4.415 4.340 -0.000 0.000 0.280 204 L C -1.676 174.986 176.870 -0.348 0.000 1.223 204 L CA -0.613 53.905 54.840 -0.536 0.000 0.864 204 L CB -0.580 40.976 42.059 -0.839 0.000 1.118 204 L HN -0.178 nan 8.230 nan 0.000 0.494 205 P HA -0.031 nan 4.420 nan 0.000 0.272 205 P C -1.096 176.305 177.300 0.169 0.000 1.239 205 P CA -0.076 62.887 63.100 -0.228 0.000 0.807 205 P CB 0.350 31.758 31.700 -0.486 0.000 0.951 206 D N 0.575 121.097 120.400 0.203 0.000 2.277 206 D HA 0.190 4.830 4.640 -0.000 0.000 0.249 206 D C 0.119 176.639 176.300 0.367 0.000 1.134 206 D CA -0.072 54.096 54.000 0.280 0.000 0.863 206 D CB 0.522 41.461 40.800 0.231 0.000 1.143 206 D HN 0.184 nan 8.370 nan 0.000 0.458 207 L N 2.168 123.514 121.223 0.205 0.000 2.371 207 L HA 0.290 4.630 4.340 -0.000 0.000 0.272 207 L C 1.849 178.785 176.870 0.110 0.000 1.124 207 L CA -0.435 54.423 54.840 0.030 0.000 0.816 207 L CB 1.266 43.229 42.059 -0.160 0.000 1.129 207 L HN 0.313 nan 8.230 nan 0.000 0.448 208 R N 1.918 122.348 120.500 -0.116 0.000 1.841 208 R HA 0.154 4.494 4.340 -0.000 0.000 0.157 208 R C 1.063 177.325 176.300 -0.063 0.000 1.339 208 R CA 0.564 56.436 56.100 -0.380 0.000 1.482 208 R CB -0.533 29.371 30.300 -0.661 0.000 0.808 208 R HN 0.797 nan 8.270 nan 0.000 0.551 209 G N 0.528 109.323 108.800 -0.008 0.000 2.443 209 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.286 209 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.286 209 G C -2.039 172.710 174.900 -0.252 0.000 1.393 209 G CA -0.749 44.273 45.100 -0.130 0.000 1.080 209 G HN 0.361 nan 8.290 nan 0.000 0.566 210 P HA 0.200 nan 4.420 nan 0.000 0.245 210 P C -1.074 175.774 177.300 -0.753 0.000 1.670 210 P CA 0.434 63.170 63.100 -0.607 0.000 1.146 210 P CB -0.473 30.767 31.700 -0.767 0.000 1.954 211 F N 0.506 120.364 119.950 -0.153 0.000 2.532 211 F HA 0.469 4.996 4.527 -0.000 0.000 0.321 211 F C 0.436 176.151 175.800 -0.143 0.000 1.089 211 F CA -0.641 57.292 58.000 -0.111 0.000 0.926 211 F CB 1.781 40.668 39.000 -0.189 0.000 1.168 211 F HN -0.108 nan 8.300 nan 0.000 0.459 212 S N 1.708 117.473 115.700 0.107 0.000 2.647 212 S HA 0.342 4.812 4.470 -0.000 0.000 0.300 212 S C 0.226 174.851 174.600 0.042 0.000 1.129 212 S CA -0.724 57.500 58.200 0.040 0.000 1.029 212 S CB 0.541 63.769 63.200 0.047 0.000 1.007 212 S HN 0.642 nan 8.310 nan 0.000 0.484 213 Y N 2.715 123.049 120.300 0.056 0.000 2.181 213 Y HA -0.161 4.389 4.550 -0.000 0.000 0.284 213 Y C -0.229 175.678 175.900 0.011 0.000 1.179 213 Y CA 2.312 60.430 58.100 0.029 0.000 1.179 213 Y CB -1.268 37.208 38.460 0.026 0.000 0.973 213 Y HN 0.568 nan 8.280 nan 0.000 0.519 214 P HA -0.192 nan 4.420 nan 0.000 0.215 214 P C 1.247 178.575 177.300 0.046 0.000 1.157 214 P CA 2.355 65.507 63.100 0.087 0.000 0.874 214 P CB -0.257 31.481 31.700 0.063 0.000 0.790 215 S N -1.653 114.072 115.700 0.041 0.000 2.786 215 S HA 0.130 4.600 4.470 -0.000 0.000 0.223 215 S C 1.472 176.045 174.600 -0.046 0.000 0.956 215 S CA 0.166 58.364 58.200 -0.003 0.000 0.961 215 S CB -1.014 62.205 63.200 0.032 0.000 0.784 215 S HN 0.140 nan 8.310 nan 0.000 0.519 216 L N -0.315 120.906 121.223 -0.003 0.000 3.284 216 L HA 0.224 4.564 4.340 -0.000 0.000 0.294 216 L C -0.087 176.809 176.870 0.043 0.000 1.183 216 L CA 0.003 54.834 54.840 -0.015 0.000 1.056 216 L CB 0.542 42.595 42.059 -0.011 0.000 1.513 216 L HN 0.140 nan 8.230 nan 0.000 0.601 217 T N -0.875 113.713 114.554 0.057 0.000 2.856 217 T HA 0.125 4.475 4.350 -0.000 0.000 0.292 217 T C 0.944 175.628 174.700 -0.026 0.000 0.980 217 T CA 0.194 62.313 62.100 0.031 0.000 1.091 217 T CB 2.405 71.286 68.868 0.022 0.000 0.936 217 T HN -0.069 nan 8.240 nan 0.000 0.503 218 S N 1.305 116.975 115.700 -0.051 0.000 2.468 218 S HA 0.494 4.964 4.470 -0.000 0.000 0.226 218 S C 0.561 175.073 174.600 -0.147 0.000 1.051 218 S CA 0.078 58.239 58.200 -0.064 0.000 0.943 218 S CB 0.181 63.371 63.200 -0.018 0.000 0.810 218 S HN 0.894 nan 8.310 nan 0.000 0.509 219 A N 0.856 123.483 122.820 -0.322 0.000 2.422 219 A HA 0.761 5.081 4.320 -0.000 0.000 0.302 219 A C -0.960 176.233 177.584 -0.653 0.000 1.041 219 A CA -0.477 51.224 52.037 -0.559 0.000 0.708 219 A CB 1.515 19.939 19.000 -0.959 0.000 1.257 219 A HN 0.353 nan 8.150 nan 0.000 0.414 220 Q N 1.456 121.089 119.800 -0.278 0.000 2.305 220 Q HA 0.651 4.991 4.340 -0.000 0.000 0.271 220 Q C -0.751 175.370 176.000 0.202 0.000 1.046 220 Q CA -0.393 55.398 55.803 -0.019 0.000 0.798 220 Q CB 2.036 30.773 28.738 -0.003 0.000 1.286 220 Q HN 0.792 nan 8.270 nan 0.000 0.435 221 S N 0.791 116.715 115.700 0.373 0.000 2.623 221 S HA 0.455 4.925 4.470 -0.000 0.000 0.287 221 S C 0.931 175.644 174.600 0.188 0.000 1.123 221 S CA -0.092 58.309 58.200 0.334 0.000 1.016 221 S CB 0.702 64.165 63.200 0.438 0.000 1.233 221 S HN 0.843 nan 8.310 nan 0.000 0.512 222 G N 0.160 109.048 108.800 0.147 0.000 2.484 222 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.218 222 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.218 222 G C -0.092 174.824 174.900 0.027 0.000 1.130 222 G CA 0.972 46.117 45.100 0.075 0.000 0.784 222 G HN 0.748 nan 8.290 nan 0.000 0.543 223 D N -2.945 117.463 120.400 0.013 0.000 2.619 223 D HA 0.152 4.792 4.640 -0.000 0.000 0.300 223 D C -0.673 175.459 176.300 -0.280 0.000 1.502 223 D CA -0.624 53.291 54.000 -0.142 0.000 0.865 223 D CB -0.321 40.344 40.800 -0.224 0.000 1.343 223 D HN 0.222 nan 8.370 nan 0.000 0.447 224 Y N 0.607 120.960 120.300 0.088 0.000 2.462 224 Y HA 0.733 5.283 4.550 -0.000 0.000 0.346 224 Y C -0.033 176.035 175.900 0.281 0.000 0.976 224 Y CA -0.831 57.343 58.100 0.123 0.000 1.044 224 Y CB 2.559 41.104 38.460 0.141 0.000 1.230 224 Y HN -0.201 nan 8.280 nan 0.000 0.455 225 S N 2.238 118.162 115.700 0.374 0.000 2.595 225 S HA 0.663 5.133 4.470 -0.000 0.000 0.281 225 S C -2.056 172.708 174.600 0.273 0.000 1.117 225 S CA -0.679 57.628 58.200 0.178 0.000 0.873 225 S CB 2.173 65.359 63.200 -0.024 0.000 1.108 225 S HN 0.440 nan 8.310 nan 0.000 0.477 226 L N 2.690 123.943 121.223 0.050 0.000 2.427 226 L HA 0.594 4.934 4.340 -0.000 0.000 0.264 226 L C -1.317 175.600 176.870 0.077 0.000 0.989 226 L CA -0.336 54.611 54.840 0.179 0.000 0.865 226 L CB 0.986 43.102 42.059 0.094 0.000 1.209 226 L HN 0.487 nan 8.230 nan 0.000 0.430 227 V N 5.433 125.423 119.914 0.127 0.000 2.644 227 V HA 0.463 4.583 4.120 -0.000 0.000 0.295 227 V C 0.282 176.445 176.094 0.114 0.000 1.053 227 V CA -0.424 61.956 62.300 0.134 0.000 0.987 227 V CB 1.733 33.699 31.823 0.238 0.000 1.006 227 V HN 0.529 nan 8.190 nan 0.000 0.472 228 I N 3.943 124.573 120.570 0.100 0.000 2.405 228 I HA 0.330 4.500 4.170 -0.000 0.000 0.280 228 I C -0.679 175.488 176.117 0.083 0.000 1.027 228 I CA -0.499 60.862 61.300 0.102 0.000 1.161 228 I CB 1.483 39.581 38.000 0.164 0.000 1.300 228 I HN 0.274 nan 8.210 nan 0.000 0.463 229 V N 5.085 125.043 119.914 0.073 0.000 2.333 229 V HA 0.617 4.737 4.120 -0.000 0.000 0.274 229 V C 0.162 176.303 176.094 0.078 0.000 1.028 229 V CA -0.036 62.278 62.300 0.023 0.000 0.851 229 V CB 1.085 32.933 31.823 0.042 0.000 1.000 229 V HN 0.841 nan 8.190 nan 0.000 0.456 230 T N 2.704 117.293 114.554 0.058 0.000 2.722 230 T HA 0.418 4.768 4.350 -0.000 0.000 0.314 230 T C -0.431 174.323 174.700 0.090 0.000 1.675 230 T CA 0.129 62.310 62.100 0.135 0.000 1.003 230 T CB 1.863 70.827 68.868 0.160 0.000 1.602 230 T HN 0.889 nan 8.240 nan 0.000 0.496 231 T N 0.595 115.271 114.554 0.203 0.000 2.918 231 T HA 0.562 4.912 4.350 -0.000 0.000 0.283 231 T C 1.053 175.808 174.700 0.093 0.000 1.001 231 T CA -0.478 61.675 62.100 0.087 0.000 1.041 231 T CB 0.613 69.541 68.868 0.099 0.000 1.028 231 T HN 0.403 nan 8.240 nan 0.000 0.511 232 F N 1.079 121.120 119.950 0.151 0.000 2.171 232 F HA -0.037 4.490 4.527 -0.000 0.000 0.300 232 F C 2.673 178.551 175.800 0.129 0.000 1.090 232 F CA 1.052 59.153 58.000 0.169 0.000 1.293 232 F CB -1.034 38.030 39.000 0.107 0.000 1.013 232 F HN 0.425 nan 8.300 nan 0.000 0.486 233 V N -0.442 119.602 119.914 0.217 0.000 2.332 233 V HA -0.331 3.789 4.120 -0.000 0.000 0.248 233 V C 2.415 178.565 176.094 0.093 0.000 1.055 233 V CA 2.162 64.510 62.300 0.080 0.000 1.038 233 V CB -0.872 30.911 31.823 -0.068 0.000 0.651 233 V HN 0.365 nan 8.190 nan 0.000 0.450 234 H N -1.470 117.758 119.070 0.263 0.000 2.307 234 H HA -0.095 4.461 4.556 -0.000 0.000 0.303 234 H C 2.192 177.664 175.328 0.240 0.000 1.073 234 H CA 1.790 58.004 56.048 0.278 0.000 1.338 234 H CB -0.712 29.284 29.762 0.389 0.000 1.389 234 H HN 0.497 nan 8.280 nan 0.000 0.503 235 Y N 1.799 122.234 120.300 0.225 0.000 2.228 235 Y HA -0.298 4.252 4.550 -0.000 0.000 0.285 235 Y C 2.527 178.473 175.900 0.077 0.000 1.178 235 Y CA 1.269 59.402 58.100 0.055 0.000 1.202 235 Y CB -0.393 37.923 38.460 -0.238 0.000 0.974 235 Y HN 0.205 nan 8.280 nan 0.000 0.527 236 A N 0.177 123.044 122.820 0.077 0.000 1.841 236 A HA -0.250 4.070 4.320 -0.000 0.000 0.214 236 A C 2.153 179.664 177.584 -0.121 0.000 1.195 236 A CA 1.797 53.817 52.037 -0.028 0.000 0.611 236 A CB -1.186 17.832 19.000 0.029 0.000 0.835 236 A HN 0.583 nan 8.150 nan 0.000 0.443 237 N N -1.598 116.984 118.700 -0.197 0.000 2.272 237 N HA -0.142 4.598 4.740 -0.000 0.000 0.185 237 N C 1.174 176.453 175.510 -0.385 0.000 1.014 237 N CA 1.601 54.450 53.050 -0.336 0.000 0.870 237 N CB -0.321 37.688 38.487 -0.796 0.000 0.975 237 N HN 0.399 nan 8.380 nan 0.000 0.433 238 F N -0.634 119.099 119.950 -0.362 0.000 2.317 238 F HA 0.097 4.624 4.527 -0.000 0.000 0.293 238 F C 2.373 177.755 175.800 -0.697 0.000 1.085 238 F CA 0.721 58.352 58.000 -0.616 0.000 1.390 238 F CB -0.573 38.231 39.000 -0.326 0.000 1.077 238 F HN 0.265 nan 8.300 nan 0.000 0.517 239 H N 0.429 119.219 119.070 -0.468 0.000 2.543 239 H HA -0.094 4.462 4.556 -0.000 0.000 0.286 239 H C 1.405 176.552 175.328 -0.301 0.000 1.037 239 H CA 0.870 56.629 56.048 -0.483 0.000 1.250 239 H CB -0.084 29.316 29.762 -0.602 0.000 1.373 239 H HN 0.212 nan 8.280 nan 0.000 0.580 240 N N 0.239 118.829 118.700 -0.183 0.000 2.331 240 N HA -0.130 4.610 4.740 -0.000 0.000 0.180 240 N C 0.766 176.272 175.510 -0.007 0.000 1.019 240 N CA 1.214 54.235 53.050 -0.048 0.000 0.881 240 N CB 0.072 38.576 38.487 0.029 0.000 0.972 240 N HN 0.654 nan 8.380 nan 0.000 0.435 241 Y N -3.770 116.501 120.300 -0.048 0.000 2.666 241 Y HA 0.425 4.975 4.550 -0.000 0.000 0.260 241 Y C -0.595 175.330 175.900 0.042 0.000 1.089 241 Y CA -1.034 57.043 58.100 -0.039 0.000 1.246 241 Y CB -0.228 38.188 38.460 -0.073 0.000 1.353 241 Y HN -0.204 nan 8.280 nan 0.000 0.558 242 F N 2.214 121.902 119.950 -0.437 0.000 2.646 242 F HA 0.687 5.214 4.527 -0.000 0.000 0.364 242 F C -1.492 174.086 175.800 -0.370 0.000 1.137 242 F CA -2.013 55.789 58.000 -0.328 0.000 1.085 242 F CB 1.511 40.306 39.000 -0.342 0.000 1.331 242 F HN -0.171 nan 8.300 nan 0.000 0.472 243 V N 7.641 127.173 119.914 -0.636 0.000 2.260 243 V HA 0.294 4.414 4.120 -0.000 0.000 0.263 243 V C -1.998 173.759 176.094 -0.563 0.000 1.036 243 V CA -1.251 60.669 62.300 -0.633 0.000 0.874 243 V CB 0.370 31.914 31.823 -0.465 0.000 1.116 243 V HN 0.549 nan 8.190 nan 0.000 0.454 244 P HA 0.067 nan 4.420 nan 0.000 0.269 244 P C -0.101 177.080 177.300 -0.198 0.000 1.209 244 P CA -0.087 62.711 63.100 -0.504 0.000 0.776 244 P CB 0.927 32.261 31.700 -0.610 0.000 0.876 245 N N 2.565 121.226 118.700 -0.065 0.000 3.303 245 N HA 0.044 4.784 4.740 -0.000 0.000 0.304 245 N C 1.397 176.944 175.510 0.061 0.000 1.302 245 N CA -0.118 52.935 53.050 0.005 0.000 1.213 245 N CB -0.638 37.870 38.487 0.036 0.000 1.481 245 N HN 0.352 nan 8.380 nan 0.000 0.546 246 L N 0.573 121.826 121.223 0.049 0.000 2.151 246 L HA -0.343 3.997 4.340 -0.000 0.000 0.219 246 L C 2.254 179.221 176.870 0.162 0.000 1.083 246 L CA 1.615 56.519 54.840 0.105 0.000 0.782 246 L CB -0.371 41.723 42.059 0.058 0.000 0.891 246 L HN 0.362 nan 8.230 nan 0.000 0.439 247 K N 0.056 120.529 120.400 0.121 0.000 1.971 247 K HA -0.203 4.117 4.320 -0.000 0.000 0.221 247 K C 1.781 178.490 176.600 0.182 0.000 1.050 247 K CA 2.043 58.417 56.287 0.145 0.000 0.967 247 K CB -0.438 32.120 32.500 0.097 0.000 0.733 247 K HN 0.267 nan 8.250 nan 0.000 0.445 248 D N 0.621 121.098 120.400 0.128 0.000 2.144 248 D HA -0.170 4.470 4.640 -0.000 0.000 0.199 248 D C 1.799 178.173 176.300 0.124 0.000 0.984 248 D CA 1.065 55.127 54.000 0.104 0.000 0.834 248 D CB -0.221 40.625 40.800 0.077 0.000 0.955 248 D HN 0.190 nan 8.370 nan 0.000 0.465 249 M N -0.695 119.009 119.600 0.174 0.000 2.202 249 M HA -0.183 4.297 4.480 -0.000 0.000 0.262 249 M C 1.818 178.248 176.300 0.217 0.000 1.063 249 M CA 1.246 56.680 55.300 0.224 0.000 1.097 249 M CB 0.001 32.763 32.600 0.269 0.000 1.382 249 M HN 0.010 nan 8.290 nan 0.000 0.413 250 F N 0.104 120.103 119.950 0.082 0.000 2.118 250 F HA -0.056 4.471 4.527 -0.000 0.000 0.293 250 F C 2.265 178.069 175.800 0.007 0.000 1.102 250 F CA 1.740 59.775 58.000 0.058 0.000 1.247 250 F CB -0.730 38.348 39.000 0.131 0.000 1.017 250 F HN 0.095 nan 8.300 nan 0.000 0.475 251 S N 0.797 116.508 115.700 0.018 0.000 2.359 251 S HA -0.290 4.180 4.470 -0.000 0.000 0.222 251 S C 2.135 176.620 174.600 -0.192 0.000 1.038 251 S CA 1.737 59.875 58.200 -0.104 0.000 1.051 251 S CB -0.635 62.584 63.200 0.031 0.000 0.944 251 S HN 0.351 nan 8.310 nan 0.000 0.433 252 R N 0.938 121.367 120.500 -0.119 0.000 2.139 252 R HA -0.089 4.251 4.340 -0.000 0.000 0.243 252 R C 2.101 178.279 176.300 -0.203 0.000 1.145 252 R CA 1.231 57.256 56.100 -0.124 0.000 0.976 252 R CB -0.362 29.857 30.300 -0.134 0.000 0.866 252 R HN 0.426 nan 8.270 nan 0.000 0.449 253 A N -0.636 121.958 122.820 -0.377 0.000 2.206 253 A HA 0.048 4.368 4.320 -0.000 0.000 0.211 253 A C 1.626 178.765 177.584 -0.743 0.000 1.158 253 A CA 0.593 52.120 52.037 -0.849 0.000 0.761 253 A CB 0.364 18.791 19.000 -0.955 0.000 0.801 253 A HN 0.182 nan 8.150 nan 0.000 0.473 254 V N -0.939 118.646 119.914 -0.549 0.000 2.840 254 V HA 0.005 4.125 4.120 -0.000 0.000 0.234 254 V C 1.394 177.322 176.094 -0.277 0.000 1.159 254 V CA 1.421 63.434 62.300 -0.478 0.000 1.194 254 V CB -0.355 31.122 31.823 -0.577 0.000 0.971 254 V HN 0.559 nan 8.190 nan 0.000 0.494 255 T N 0.391 114.824 114.554 -0.201 0.000 3.688 255 T HA 0.638 4.988 4.350 -0.000 0.000 0.307 255 T C -0.571 174.083 174.700 -0.077 0.000 1.382 255 T CA 0.148 62.190 62.100 -0.097 0.000 1.136 255 T CB -0.154 68.680 68.868 -0.057 0.000 1.207 255 T HN 0.287 nan 8.240 nan 0.000 0.854 256 M N 2.655 122.217 119.600 -0.063 0.000 2.361 256 M HA 0.205 4.685 4.480 -0.000 0.000 0.274 256 M C -0.261 176.061 176.300 0.036 0.000 1.035 256 M CA -0.309 54.988 55.300 -0.004 0.000 0.907 256 M CB 1.864 34.474 32.600 0.016 0.000 1.971 256 M HN 0.554 nan 8.290 nan 0.000 0.494 257 T N 2.611 117.221 114.554 0.094 0.000 2.946 257 T HA 0.362 4.712 4.350 -0.000 0.000 0.311 257 T C 1.219 176.024 174.700 0.174 0.000 1.063 257 T CA 0.904 63.108 62.100 0.172 0.000 1.139 257 T CB 0.971 69.972 68.868 0.221 0.000 0.994 257 T HN 0.831 nan 8.240 nan 0.000 0.547 258 A N 5.006 127.964 122.820 0.230 0.000 1.869 258 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 258 A C 2.777 180.385 177.584 0.039 0.000 1.203 258 A CA 2.763 54.885 52.037 0.141 0.000 0.638 258 A CB -1.685 17.442 19.000 0.213 0.000 0.831 258 A HN 1.442 nan 8.150 nan 0.000 0.450 259 A N -0.997 121.771 122.820 -0.086 0.000 1.892 259 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 259 A C 2.479 180.062 177.584 -0.002 0.000 1.188 259 A CA 2.461 54.419 52.037 -0.130 0.000 0.631 259 A CB -1.044 17.825 19.000 -0.219 0.000 0.822 259 A HN 0.518 nan 8.150 nan 0.000 0.447 260 S N -1.943 113.794 115.700 0.061 0.000 2.348 260 S HA -0.164 4.306 4.470 -0.000 0.000 0.221 260 S C 1.862 176.548 174.600 0.142 0.000 1.033 260 S CA 1.469 59.727 58.200 0.096 0.000 1.010 260 S CB -0.593 62.668 63.200 0.102 0.000 0.891 260 S HN 0.659 nan 8.310 nan 0.000 0.442 261 Y N 2.424 122.748 120.300 0.038 0.000 2.207 261 Y HA -0.206 4.344 4.550 -0.000 0.000 0.287 261 Y C 2.414 178.369 175.900 0.092 0.000 1.156 261 Y CA 0.886 59.034 58.100 0.081 0.000 1.182 261 Y CB -0.778 37.694 38.460 0.019 0.000 0.979 261 Y HN 0.227 nan 8.280 nan 0.000 0.521 262 A N 0.180 123.041 122.820 0.067 0.000 1.908 262 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 262 A C 2.339 179.866 177.584 -0.095 0.000 1.181 262 A CA 2.074 54.070 52.037 -0.068 0.000 0.627 262 A CB -0.757 18.163 19.000 -0.133 0.000 0.818 262 A HN 0.536 nan 8.150 nan 0.000 0.445 263 R N -2.077 118.404 120.500 -0.033 0.000 2.093 263 R HA -0.117 4.223 4.340 -0.000 0.000 0.224 263 R C 2.063 178.341 176.300 -0.038 0.000 1.101 263 R CA 1.454 57.543 56.100 -0.018 0.000 0.979 263 R CB -0.554 29.770 30.300 0.039 0.000 0.877 263 R HN 0.592 nan 8.270 nan 0.000 0.441 264 Y N 0.402 120.627 120.300 -0.125 0.000 2.193 264 Y HA -0.211 4.339 4.550 -0.000 0.000 0.285 264 Y C 1.612 177.400 175.900 -0.186 0.000 1.166 264 Y CA 1.730 59.741 58.100 -0.147 0.000 1.181 264 Y CB -0.310 38.036 38.460 -0.190 0.000 0.976 264 Y HN -0.095 nan 8.280 nan 0.000 0.520 265 V N 0.015 119.616 119.914 -0.521 0.000 2.346 265 V HA -0.218 3.902 4.120 -0.000 0.000 0.244 265 V C 2.390 178.304 176.094 -0.300 0.000 1.037 265 V CA 1.482 63.466 62.300 -0.527 0.000 1.029 265 V CB -0.820 30.793 31.823 -0.350 0.000 0.663 265 V HN 0.478 nan 8.190 nan 0.000 0.454 266 L N 0.070 121.179 121.223 -0.190 0.000 2.043 266 L HA -0.271 4.069 4.340 -0.000 0.000 0.212 266 L C 2.508 179.311 176.870 -0.112 0.000 1.075 266 L CA 2.081 56.854 54.840 -0.111 0.000 0.752 266 L CB -0.511 41.511 42.059 -0.062 0.000 0.891 266 L HN 0.371 nan 8.230 nan 0.000 0.432 267 Q N -0.926 118.791 119.800 -0.137 0.000 2.079 267 Q HA -0.234 4.106 4.340 -0.000 0.000 0.200 267 Q C 2.323 178.239 176.000 -0.141 0.000 0.974 267 Q CA 1.576 57.312 55.803 -0.111 0.000 0.840 267 Q CB -0.206 28.483 28.738 -0.081 0.000 0.898 267 Q HN 0.466 nan 8.270 nan 0.000 0.430 268 K N 0.637 120.885 120.400 -0.253 0.000 2.113 268 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 268 K C 2.030 178.553 176.600 -0.128 0.000 1.047 268 K CA 1.018 57.164 56.287 -0.234 0.000 0.928 268 K CB -0.052 32.209 32.500 -0.398 0.000 0.716 268 K HN 0.184 nan 8.250 nan 0.000 0.446 269 L N 0.058 121.208 121.223 -0.121 0.000 2.044 269 L HA -0.165 4.175 4.340 -0.000 0.000 0.205 269 L C 2.295 179.118 176.870 -0.079 0.000 1.075 269 L CA 0.751 55.543 54.840 -0.081 0.000 0.747 269 L CB -0.531 41.478 42.059 -0.084 0.000 0.903 269 L HN -0.012 nan 8.230 nan 0.000 0.435 270 V N 0.463 120.333 119.914 -0.074 0.000 2.324 270 V HA -0.327 3.793 4.120 -0.000 0.000 0.250 270 V C 2.484 178.554 176.094 -0.040 0.000 1.060 270 V CA 1.999 64.266 62.300 -0.056 0.000 1.042 270 V CB -0.539 31.263 31.823 -0.036 0.000 0.650 270 V HN 0.357 nan 8.190 nan 0.000 0.450 271 L N -0.431 120.771 121.223 -0.035 0.000 1.989 271 L HA -0.166 4.174 4.340 -0.000 0.000 0.211 271 L C 2.222 179.083 176.870 -0.015 0.000 1.071 271 L CA 1.986 56.816 54.840 -0.016 0.000 0.749 271 L CB -0.580 41.468 42.059 -0.018 0.000 0.890 271 L HN 0.166 nan 8.230 nan 0.000 0.431 272 L N -0.012 121.200 121.223 -0.019 0.000 2.127 272 L HA -0.226 4.114 4.340 -0.000 0.000 0.211 272 L C 2.590 179.447 176.870 -0.022 0.000 1.089 272 L CA 1.826 56.663 54.840 -0.005 0.000 0.757 272 L CB -0.895 41.176 42.059 0.021 0.000 0.899 272 L HN 0.479 nan 8.230 nan 0.000 0.434 273 E N -0.676 119.493 120.200 -0.052 0.000 2.047 273 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 273 E C 2.223 178.796 176.600 -0.046 0.000 0.987 273 E CA 1.148 57.505 56.400 -0.073 0.000 0.799 273 E CB -0.080 29.559 29.700 -0.102 0.000 0.752 273 E HN 0.438 nan 8.360 nan 0.000 0.449 274 M N 0.101 119.685 119.600 -0.027 0.000 2.460 274 M HA -0.105 4.375 4.480 -0.000 0.000 0.263 274 M C 1.558 177.860 176.300 0.003 0.000 1.071 274 M CA 1.044 56.342 55.300 -0.003 0.000 1.096 274 M CB 0.116 32.731 32.600 0.024 0.000 1.408 274 M HN -0.101 nan 8.290 nan 0.000 0.463 275 K N -0.146 120.253 120.400 -0.002 0.000 2.458 275 K HA 0.143 4.463 4.320 -0.000 0.000 0.194 275 K C 1.109 177.708 176.600 -0.001 0.000 1.024 275 K CA 0.421 56.710 56.287 0.003 0.000 1.108 275 K CB 0.185 32.688 32.500 0.006 0.000 0.846 275 K HN 0.489 nan 8.250 nan 0.000 0.518 276 G N 0.873 109.668 108.800 -0.008 0.000 2.189 276 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.267 276 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.267 276 G C 0.818 175.716 174.900 -0.002 0.000 0.975 276 G CA 0.285 45.379 45.100 -0.010 0.000 0.644 276 G HN 0.477 nan 8.290 nan 0.000 0.537 277 G N -0.797 108.008 108.800 0.008 0.000 2.740 277 G HA2 0.076 4.036 3.960 -0.000 0.000 0.208 277 G HA3 0.076 4.036 3.960 -0.000 0.000 0.208 277 G C 1.244 176.187 174.900 0.071 0.000 1.148 277 G CA 1.493 46.619 45.100 0.043 0.000 0.795 277 G HN 0.747 nan 8.290 nan 0.000 0.526 278 c N -0.803 117.797 118.600 0.000 0.000 2.974 278 c HA 0.417 4.987 4.570 -0.000 0.000 0.282 278 c C 1.968 176.054 174.090 -0.007 0.000 1.292 278 c CA -0.364 55.939 56.329 -0.043 0.000 1.710 278 c CB -0.568 41.861 42.510 -0.135 0.000 2.036 278 c HN 0.537 nan 8.230 nan 0.000 0.629 279 R N -0.375 120.132 120.500 0.011 0.000 2.637 279 R HA 0.109 4.449 4.340 -0.000 0.000 0.262 279 R C -0.064 176.244 176.300 0.012 0.000 0.959 279 R CA 0.110 56.215 56.100 0.007 0.000 1.061 279 R CB 0.422 30.716 30.300 -0.009 0.000 1.610 279 R HN 0.190 nan 8.270 nan 0.000 0.548 280 E N 1.321 121.531 120.200 0.016 0.000 4.044 280 E HA 0.214 4.564 4.350 -0.000 0.000 0.216 280 E C -2.620 173.985 176.600 0.007 0.000 1.104 280 E CA -1.741 54.660 56.400 0.002 0.000 1.383 280 E CB 1.391 31.086 29.700 -0.008 0.000 1.195 280 E HN -0.028 nan 8.360 nan 0.000 0.442 281 P HA -0.112 nan 4.420 nan 0.000 0.242 281 P C -0.092 177.168 177.300 -0.067 0.000 1.116 281 P CA 0.549 63.674 63.100 0.041 0.000 0.954 281 P CB 0.006 31.732 31.700 0.044 0.000 0.908 282 E N 2.782 122.948 120.200 -0.057 0.000 2.324 282 E HA 0.102 4.452 4.350 -0.000 0.000 0.271 282 E C -0.134 176.353 176.600 -0.188 0.000 1.028 282 E CA -0.023 56.313 56.400 -0.107 0.000 0.890 282 E CB 0.166 29.830 29.700 -0.060 0.000 1.004 282 E HN 0.349 nan 8.360 nan 0.000 0.431 283 L N 5.572 126.624 121.223 -0.285 0.000 2.423 283 L HA 0.212 4.552 4.340 -0.000 0.000 0.249 283 L C -0.493 176.228 176.870 -0.249 0.000 1.276 283 L CA -0.296 54.281 54.840 -0.438 0.000 1.199 283 L CB -0.671 40.967 42.059 -0.701 0.000 1.407 283 L HN 0.552 nan 8.230 nan 0.000 0.410 284 D N -2.742 117.590 120.400 -0.114 0.000 2.497 284 D HA 0.298 4.938 4.640 -0.000 0.000 0.243 284 D C 1.276 177.633 176.300 0.096 0.000 1.039 284 D CA -0.269 53.740 54.000 0.016 0.000 1.052 284 D CB 0.711 41.511 40.800 -0.001 0.000 1.344 284 D HN 0.101 nan 8.370 nan 0.000 0.553 285 T N -2.546 112.091 114.554 0.138 0.000 2.665 285 T HA -0.304 4.046 4.350 -0.000 0.000 0.268 285 T C 1.511 176.311 174.700 0.166 0.000 1.035 285 T CA 1.772 63.987 62.100 0.192 0.000 1.151 285 T CB -0.672 68.206 68.868 0.017 0.000 0.862 285 T HN 0.620 nan 8.240 nan 0.000 0.438 286 E N 0.927 121.180 120.200 0.088 0.000 2.023 286 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 286 E C 2.347 178.996 176.600 0.082 0.000 1.003 286 E CA 1.923 58.370 56.400 0.078 0.000 0.809 286 E CB -0.513 29.215 29.700 0.047 0.000 0.755 286 E HN 0.586 nan 8.360 nan 0.000 0.449 287 T N 1.202 115.786 114.554 0.049 0.000 2.720 287 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 287 T C 1.823 176.528 174.700 0.008 0.000 1.037 287 T CA 1.217 63.336 62.100 0.032 0.000 1.144 287 T CB -0.226 68.625 68.868 -0.028 0.000 0.864 287 T HN 0.069 nan 8.240 nan 0.000 0.444 288 L N 0.699 121.906 121.223 -0.026 0.000 2.093 288 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 288 L C 2.786 179.703 176.870 0.078 0.000 1.085 288 L CA 1.570 56.322 54.840 -0.147 0.000 0.755 288 L CB -1.028 40.728 42.059 -0.505 0.000 0.904 288 L HN 0.237 nan 8.230 nan 0.000 0.435 289 T N -1.352 113.368 114.554 0.277 0.000 2.652 289 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 289 T C 1.879 176.738 174.700 0.265 0.000 1.039 289 T CA 2.125 64.437 62.100 0.353 0.000 1.153 289 T CB -0.568 68.462 68.868 0.270 0.000 0.863 289 T HN 0.616 nan 8.240 nan 0.000 0.428 290 T N 1.341 115.992 114.554 0.162 0.000 2.699 290 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 290 T C 2.015 176.799 174.700 0.140 0.000 1.036 290 T CA 1.483 63.647 62.100 0.105 0.000 1.147 290 T CB -0.715 68.193 68.868 0.066 0.000 0.862 290 T HN 0.282 nan 8.240 nan 0.000 0.446 291 M N 0.147 119.829 119.600 0.137 0.000 2.082 291 M HA 0.007 4.487 4.480 -0.000 0.000 0.258 291 M C 2.164 178.578 176.300 0.190 0.000 1.071 291 M CA 2.283 57.656 55.300 0.121 0.000 1.103 291 M CB -0.699 31.840 32.600 -0.102 0.000 1.307 291 M HN 0.302 nan 8.290 nan 0.000 0.409 292 F N 1.437 121.359 119.950 -0.047 0.000 2.126 292 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 292 F C 2.150 178.098 175.800 0.246 0.000 1.096 292 F CA 1.817 59.890 58.000 0.122 0.000 1.255 292 F CB -0.419 38.657 39.000 0.128 0.000 0.997 292 F HN 0.198 nan 8.300 nan 0.000 0.479 293 E N -0.410 119.854 120.200 0.108 0.000 2.150 293 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 293 E C 2.382 179.045 176.600 0.105 0.000 0.985 293 E CA 1.286 57.730 56.400 0.073 0.000 0.814 293 E CB -0.382 29.392 29.700 0.124 0.000 0.752 293 E HN 0.328 nan 8.360 nan 0.000 0.466 294 V N 1.743 121.738 119.914 0.135 0.000 2.407 294 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 294 V C 2.539 178.814 176.094 0.302 0.000 1.055 294 V CA 2.154 64.573 62.300 0.197 0.000 1.049 294 V CB -0.458 31.498 31.823 0.222 0.000 0.662 294 V HN 0.362 nan 8.190 nan 0.000 0.455 295 S N -0.755 115.092 115.700 0.244 0.000 2.414 295 S HA -0.082 4.388 4.470 -0.000 0.000 0.227 295 S C 1.892 176.628 174.600 0.227 0.000 1.022 295 S CA 1.161 59.492 58.200 0.218 0.000 0.958 295 S CB -0.180 63.127 63.200 0.179 0.000 0.797 295 S HN 0.317 nan 8.310 nan 0.000 0.493 296 V N 2.539 122.499 119.914 0.076 0.000 2.427 296 V HA -0.081 4.039 4.120 -0.000 0.000 0.248 296 V C 3.100 179.368 176.094 0.291 0.000 1.051 296 V CA 1.518 63.872 62.300 0.090 0.000 1.048 296 V CB -1.469 30.222 31.823 -0.220 0.000 0.666 296 V HN 0.644 nan 8.190 nan 0.000 0.456 297 A N -0.419 122.656 122.820 0.425 0.000 1.902 297 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 297 A C 2.038 179.705 177.584 0.139 0.000 1.181 297 A CA 1.843 54.101 52.037 0.369 0.000 0.623 297 A CB -0.676 18.439 19.000 0.193 0.000 0.818 297 A HN 0.468 nan 8.150 nan 0.000 0.443 298 F N -1.689 118.322 119.950 0.102 0.000 2.206 298 F HA -0.026 4.501 4.527 -0.000 0.000 0.298 298 F C 1.976 177.849 175.800 0.121 0.000 1.090 298 F CA 1.362 59.388 58.000 0.044 0.000 1.323 298 F CB -0.495 38.521 39.000 0.028 0.000 1.028 298 F HN 0.363 nan 8.300 nan 0.000 0.492 299 F N 1.209 121.300 119.950 0.235 0.000 2.102 299 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 299 F C 2.304 178.234 175.800 0.217 0.000 1.105 299 F CA 1.532 59.663 58.000 0.218 0.000 1.239 299 F CB -0.574 38.537 39.000 0.185 0.000 0.991 299 F HN -0.280 nan 8.300 nan 0.000 0.474 300 K N 0.548 120.906 120.400 -0.069 0.000 2.034 300 K HA -0.175 4.145 4.320 -0.000 0.000 0.214 300 K C 2.216 178.781 176.600 -0.059 0.000 1.051 300 K CA 1.847 58.035 56.287 -0.164 0.000 0.931 300 K CB -1.071 31.389 32.500 -0.067 0.000 0.715 300 K HN 0.283 nan 8.250 nan 0.000 0.446 301 V N 0.384 120.286 119.914 -0.019 0.000 2.332 301 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 301 V C 2.476 178.626 176.094 0.092 0.000 1.055 301 V CA 2.229 64.532 62.300 0.005 0.000 1.038 301 V CB -1.020 30.665 31.823 -0.230 0.000 0.651 301 V HN 0.471 nan 8.190 nan 0.000 0.450 302 G N -1.604 107.278 108.800 0.136 0.000 2.408 302 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 302 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 302 G C 1.553 176.574 174.900 0.202 0.000 1.150 302 G CA 0.830 46.133 45.100 0.339 0.000 0.776 302 G HN 0.613 nan 8.290 nan 0.000 0.542 303 H N 0.680 119.667 119.070 -0.138 0.000 2.524 303 H HA 0.182 4.738 4.556 -0.000 0.000 0.282 303 H C 2.586 177.856 175.328 -0.096 0.000 1.016 303 H CA 0.843 56.753 56.048 -0.231 0.000 1.270 303 H CB 0.246 29.615 29.762 -0.655 0.000 1.394 303 H HN 0.347 nan 8.280 nan 0.000 0.568 304 A N 0.296 123.101 122.820 -0.025 0.000 1.840 304 A HA -0.070 4.250 4.320 -0.000 0.000 0.214 304 A C 2.592 180.149 177.584 -0.045 0.000 1.198 304 A CA 1.184 53.207 52.037 -0.024 0.000 0.608 304 A CB -0.799 18.280 19.000 0.132 0.000 0.839 304 A HN 0.247 nan 8.150 nan 0.000 0.443 305 V N 0.318 120.267 119.914 0.058 0.000 2.867 305 V HA -0.136 3.984 4.120 -0.000 0.000 0.260 305 V C 2.573 178.657 176.094 -0.017 0.000 1.099 305 V CA 1.610 63.947 62.300 0.062 0.000 1.122 305 V CB -1.334 30.594 31.823 0.175 0.000 0.708 305 V HN 0.618 nan 8.190 nan 0.000 0.490 306 G N -0.407 108.347 108.800 -0.077 0.000 2.404 306 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.213 306 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.213 306 G C 1.427 176.220 174.900 -0.177 0.000 1.189 306 G CA 0.325 45.341 45.100 -0.141 0.000 0.796 306 G HN 0.447 nan 8.290 nan 0.000 0.532 307 E N 0.874 120.917 120.200 -0.263 0.000 2.097 307 E HA -0.133 4.217 4.350 -0.000 0.000 0.196 307 E C 1.957 178.473 176.600 -0.141 0.000 1.000 307 E CA 1.551 57.815 56.400 -0.226 0.000 0.804 307 E CB -0.767 28.784 29.700 -0.248 0.000 0.740 307 E HN 0.522 nan 8.360 nan 0.000 0.454 308 T N -0.507 113.972 114.554 -0.125 0.000 3.783 308 T HA 0.434 4.784 4.350 -0.000 0.000 0.262 308 T C 0.553 175.211 174.700 -0.071 0.000 1.381 308 T CA -0.168 61.876 62.100 -0.095 0.000 1.155 308 T CB 0.031 68.838 68.868 -0.102 0.000 1.256 308 T HN 0.049 nan 8.240 nan 0.000 0.807 309 G N 1.555 110.314 108.800 -0.069 0.000 2.398 309 G HA2 0.273 4.233 3.960 -0.000 0.000 0.246 309 G HA3 0.273 4.233 3.960 -0.000 0.000 0.246 309 G C 0.614 175.489 174.900 -0.042 0.000 1.289 309 G CA -0.694 44.374 45.100 -0.053 0.000 0.869 309 G HN 0.595 nan 8.290 nan 0.000 0.543 310 N N -0.044 118.636 118.700 -0.033 0.000 2.714 310 N HA -0.170 4.570 4.740 -0.000 0.000 0.250 310 N C 0.905 176.398 175.510 -0.028 0.000 1.117 310 N CA 1.299 54.333 53.050 -0.027 0.000 0.719 310 N CB -1.114 37.358 38.487 -0.025 0.000 1.081 310 N HN 0.890 nan 8.380 nan 0.000 0.557 311 G N -1.000 107.781 108.800 -0.032 0.000 2.890 311 G HA2 0.617 4.577 3.960 -0.000 0.000 0.189 311 G HA3 0.617 4.577 3.960 -0.000 0.000 0.189 311 G C -0.748 174.136 174.900 -0.027 0.000 1.342 311 G CA 0.112 45.191 45.100 -0.035 0.000 1.026 311 G HN 0.389 nan 8.290 nan 0.000 0.579 312 c N 0.362 118.943 118.600 -0.030 0.000 2.716 312 c HA 0.558 5.128 4.570 -0.000 0.000 0.366 312 c C -0.368 173.711 174.090 -0.019 0.000 1.073 312 c CA -0.753 55.566 56.329 -0.016 0.000 1.260 312 c CB 0.287 42.792 42.510 -0.009 0.000 1.755 312 c HN 0.792 nan 8.230 nan 0.000 0.475 313 V N 2.812 122.731 119.914 0.009 0.000 2.432 313 V HA 0.459 4.579 4.120 -0.000 0.000 0.275 313 V C 0.170 176.318 176.094 0.090 0.000 1.043 313 V CA -0.166 62.152 62.300 0.031 0.000 0.925 313 V CB 1.283 33.174 31.823 0.114 0.000 0.985 313 V HN 0.871 nan 8.190 nan 0.000 0.466 314 D N 3.055 123.512 120.400 0.096 0.000 2.488 314 D HA 0.013 4.653 4.640 -0.000 0.000 0.238 314 D C 0.764 177.192 176.300 0.212 0.000 1.138 314 D CA -0.103 53.975 54.000 0.130 0.000 0.873 314 D CB 1.260 42.131 40.800 0.120 0.000 1.183 314 D HN 0.600 nan 8.370 nan 0.000 0.458 315 L N 4.370 125.696 121.223 0.172 0.000 2.191 315 L HA -0.087 4.253 4.340 -0.000 0.000 0.212 315 L C 2.063 179.119 176.870 0.310 0.000 1.103 315 L CA 1.611 56.574 54.840 0.204 0.000 0.769 315 L CB -0.285 41.889 42.059 0.191 0.000 0.908 315 L HN 0.475 nan 8.230 nan 0.000 0.438 316 R N -1.496 119.192 120.500 0.312 0.000 2.092 316 R HA -0.222 4.118 4.340 -0.000 0.000 0.231 316 R C 2.168 178.648 176.300 0.299 0.000 1.119 316 R CA 1.715 58.029 56.100 0.356 0.000 0.970 316 R CB -0.803 29.554 30.300 0.095 0.000 0.864 316 R HN 0.603 nan 8.270 nan 0.000 0.440 317 W N 2.208 123.586 121.300 0.129 0.000 2.355 317 W HA -0.182 4.478 4.660 -0.000 0.000 0.309 317 W C 1.481 178.095 176.519 0.159 0.000 1.206 317 W CA 1.412 58.828 57.345 0.119 0.000 1.284 317 W CB -0.239 29.274 29.460 0.089 0.000 1.145 317 W HN 0.047 nan 8.180 nan 0.000 0.502 318 L N 1.226 122.572 121.223 0.206 0.000 1.994 318 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 318 L C 2.922 179.851 176.870 0.098 0.000 1.071 318 L CA 1.564 56.507 54.840 0.170 0.000 0.745 318 L CB -1.751 40.392 42.059 0.140 0.000 0.892 318 L HN -0.070 nan 8.230 nan 0.000 0.431 319 A N -0.065 122.798 122.820 0.072 0.000 2.032 319 A HA -0.270 4.050 4.320 -0.000 0.000 0.221 319 A C 2.445 180.041 177.584 0.019 0.000 1.165 319 A CA 2.225 54.266 52.037 0.007 0.000 0.645 319 A CB -0.447 18.501 19.000 -0.087 0.000 0.807 319 A HN 0.418 nan 8.150 nan 0.000 0.453 320 K N -1.179 119.215 120.400 -0.009 0.000 2.121 320 K HA 0.024 4.344 4.320 -0.000 0.000 0.203 320 K C 2.264 178.812 176.600 -0.087 0.000 1.041 320 K CA 1.021 57.286 56.287 -0.037 0.000 0.969 320 K CB -0.060 32.383 32.500 -0.094 0.000 0.799 320 K HN 0.393 nan 8.250 nan 0.000 0.456 321 S N 0.788 116.282 115.700 -0.343 0.000 2.343 321 S HA -0.090 4.380 4.470 -0.000 0.000 0.219 321 S C 1.639 176.101 174.600 -0.231 0.000 1.033 321 S CA 1.348 59.293 58.200 -0.424 0.000 1.014 321 S CB -0.394 62.362 63.200 -0.740 0.000 0.915 321 S HN 0.265 nan 8.310 nan 0.000 0.435 322 F N 0.708 120.549 119.950 -0.183 0.000 2.408 322 F HA -0.033 4.494 4.527 -0.000 0.000 0.300 322 F C 1.808 177.549 175.800 -0.098 0.000 1.090 322 F CA 0.661 58.587 58.000 -0.123 0.000 1.427 322 F CB -0.287 38.677 39.000 -0.060 0.000 1.070 322 F HN 0.217 nan 8.300 nan 0.000 0.549 323 F N 1.229 121.149 119.950 -0.049 0.000 2.098 323 F HA -0.124 4.403 4.527 -0.000 0.000 0.294 323 F C 2.301 178.002 175.800 -0.164 0.000 1.107 323 F CA 1.447 59.383 58.000 -0.106 0.000 1.234 323 F CB -0.549 38.385 39.000 -0.110 0.000 1.002 323 F HN -0.197 nan 8.300 nan 0.000 0.472 324 E N 0.862 120.849 120.200 -0.355 0.000 2.209 324 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 324 E C 2.401 178.725 176.600 -0.460 0.000 0.993 324 E CA 1.235 57.374 56.400 -0.435 0.000 0.819 324 E CB -0.539 29.038 29.700 -0.206 0.000 0.745 324 E HN 0.501 nan 8.360 nan 0.000 0.477 325 L N 0.257 121.197 121.223 -0.473 0.000 2.095 325 L HA -0.093 4.247 4.340 -0.000 0.000 0.204 325 L C 2.455 179.133 176.870 -0.320 0.000 1.080 325 L CA 1.160 55.652 54.840 -0.580 0.000 0.759 325 L CB -0.500 41.092 42.059 -0.778 0.000 0.914 325 L HN 0.077 nan 8.230 nan 0.000 0.439 326 T N -0.569 113.816 114.554 -0.282 0.000 2.708 326 T HA -0.214 4.136 4.350 -0.000 0.000 0.266 326 T C 1.887 176.400 174.700 -0.312 0.000 1.037 326 T CA 1.576 63.553 62.100 -0.204 0.000 1.146 326 T CB -0.351 68.411 68.868 -0.177 0.000 0.865 326 T HN 0.167 nan 8.240 nan 0.000 0.435 327 V N 1.234 120.801 119.914 -0.578 0.000 2.407 327 V HA -0.081 4.039 4.120 -0.000 0.000 0.248 327 V C 2.238 178.172 176.094 -0.266 0.000 1.055 327 V CA 1.437 63.378 62.300 -0.598 0.000 1.049 327 V CB -0.490 30.815 31.823 -0.864 0.000 0.662 327 V HN 0.373 nan 8.190 nan 0.000 0.455 328 L N 0.800 121.891 121.223 -0.220 0.000 2.027 328 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 328 L C 2.537 179.430 176.870 0.038 0.000 1.074 328 L CA 2.680 57.477 54.840 -0.071 0.000 0.745 328 L CB -0.988 41.027 42.059 -0.073 0.000 0.898 328 L HN 0.397 nan 8.230 nan 0.000 0.433 329 K N -0.735 119.727 120.400 0.103 0.000 2.113 329 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 329 K C 1.660 178.275 176.600 0.025 0.000 1.047 329 K CA 1.914 58.278 56.287 0.129 0.000 0.928 329 K CB -0.228 32.369 32.500 0.161 0.000 0.716 329 K HN 0.457 nan 8.250 nan 0.000 0.446 330 D N 0.908 121.293 120.400 -0.025 0.000 2.084 330 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 330 D C 1.964 178.239 176.300 -0.043 0.000 0.985 330 D CA 1.198 55.174 54.000 -0.040 0.000 0.826 330 D CB -0.211 40.553 40.800 -0.061 0.000 0.978 330 D HN 0.327 nan 8.370 nan 0.000 0.456 331 I N 0.919 121.462 120.570 -0.045 0.000 2.286 331 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 331 I C 2.175 178.229 176.117 -0.105 0.000 1.115 331 I CA 0.905 62.161 61.300 -0.073 0.000 1.392 331 I CB 0.037 37.999 38.000 -0.063 0.000 1.065 331 I HN -0.097 nan 8.210 nan 0.000 0.418 332 I N 0.707 121.249 120.570 -0.046 0.000 2.361 332 I HA -0.209 3.961 4.170 -0.000 0.000 0.251 332 I C 2.428 178.538 176.117 -0.011 0.000 1.133 332 I CA 1.478 62.771 61.300 -0.011 0.000 1.413 332 I CB -0.717 37.328 38.000 0.074 0.000 1.073 332 I HN 0.343 nan 8.210 nan 0.000 0.424 333 G N 0.633 109.421 108.800 -0.019 0.000 2.441 333 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.212 333 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.212 333 G C 1.659 176.535 174.900 -0.040 0.000 1.164 333 G CA 0.113 45.207 45.100 -0.010 0.000 0.811 333 G HN 0.265 nan 8.290 nan 0.000 0.535 334 I N 0.216 120.743 120.570 -0.072 0.000 2.286 334 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 334 I C 2.823 178.867 176.117 -0.122 0.000 1.115 334 I CA 0.544 61.792 61.300 -0.088 0.000 1.392 334 I CB -0.272 37.671 38.000 -0.095 0.000 1.065 334 I HN 0.319 nan 8.210 nan 0.000 0.418 335 c N 0.095 118.567 118.600 -0.214 0.000 2.675 335 c HA -0.064 4.506 4.570 -0.000 0.000 0.285 335 c C 1.068 175.011 174.090 -0.245 0.000 1.282 335 c CA 0.169 56.279 56.329 -0.365 0.000 1.708 335 c CB -0.537 41.527 42.510 -0.743 0.000 2.134 335 c HN 0.267 nan 8.230 nan 0.000 0.494 336 Y N -0.062 120.243 120.300 0.008 0.000 2.419 336 Y HA 0.470 5.020 4.550 -0.000 0.000 0.328 336 Y C 1.126 177.034 175.900 0.012 0.000 1.162 336 Y CA -0.677 57.435 58.100 0.019 0.000 1.174 336 Y CB 0.230 38.718 38.460 0.046 0.000 1.228 336 Y HN 0.297 nan 8.280 nan 0.000 0.473 337 G N 0.804 109.711 108.800 0.180 0.000 3.356 337 G HA2 0.350 4.310 3.960 -0.000 0.000 0.239 337 G HA3 0.350 4.310 3.960 -0.000 0.000 0.239 337 G C 0.186 175.137 174.900 0.085 0.000 1.252 337 G CA 0.071 45.225 45.100 0.090 0.000 1.611 337 G HN 0.752 nan 8.290 nan 0.000 0.580 338 A N 0.390 123.284 122.820 0.123 0.000 2.340 338 A HA 0.769 5.089 4.320 -0.000 0.000 0.268 338 A C 0.478 178.085 177.584 0.039 0.000 1.100 338 A CA -0.116 51.977 52.037 0.093 0.000 0.803 338 A CB 0.835 19.931 19.000 0.161 0.000 1.043 338 A HN 0.286 nan 8.150 nan 0.000 0.488 339 T N 0.222 114.782 114.554 0.010 0.000 2.916 339 T HA 0.642 4.992 4.350 -0.000 0.000 0.292 339 T C -0.784 173.894 174.700 -0.038 0.000 1.055 339 T CA -0.507 61.591 62.100 -0.005 0.000 1.009 339 T CB 1.638 70.513 68.868 0.011 0.000 1.118 339 T HN 0.613 nan 8.240 nan 0.000 0.497 340 V N 2.094 121.963 119.914 -0.076 0.000 2.686 340 V HA 0.749 4.869 4.120 -0.000 0.000 0.306 340 V C -0.790 175.218 176.094 -0.143 0.000 1.065 340 V CA -1.024 61.168 62.300 -0.180 0.000 0.894 340 V CB 1.845 33.467 31.823 -0.336 0.000 1.004 340 V HN 1.017 nan 8.190 nan 0.000 0.424 341 K N 2.249 122.513 120.400 -0.227 0.000 2.557 341 K HA 0.737 5.057 4.320 -0.000 0.000 0.261 341 K C 0.165 176.645 176.600 -0.199 0.000 0.932 341 K CA -0.156 56.013 56.287 -0.196 0.000 0.829 341 K CB 2.079 34.361 32.500 -0.364 0.000 1.358 341 K HN 1.351 nan 8.250 nan 0.000 0.430 342 G N 1.775 110.647 108.800 0.121 0.000 2.168 342 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.197 342 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.197 342 G C 0.029 174.861 174.900 -0.112 0.000 0.997 342 G CA 0.117 45.292 45.100 0.124 0.000 0.658 342 G HN 0.456 nan 8.290 nan 0.000 0.513 343 M N 0.843 120.441 119.600 -0.004 0.000 2.705 343 M HA 0.362 4.842 4.480 -0.000 0.000 0.387 343 M C 0.207 176.648 176.300 0.235 0.000 1.204 343 M CA 0.109 55.438 55.300 0.049 0.000 0.905 343 M CB 0.359 33.052 32.600 0.155 0.000 1.394 343 M HN 0.357 nan 8.290 nan 0.000 0.515 344 Q N 0.505 120.437 119.800 0.220 0.000 2.394 344 Q HA 0.599 4.939 4.340 -0.000 0.000 0.273 344 Q C -0.368 175.718 176.000 0.144 0.000 1.089 344 Q CA -0.500 55.462 55.803 0.264 0.000 0.812 344 Q CB 2.812 31.666 28.738 0.193 0.000 1.353 344 Q HN 0.285 nan 8.270 nan 0.000 0.438 345 S N 0.260 115.986 115.700 0.043 0.000 2.733 345 S HA 0.193 4.663 4.470 -0.000 0.000 0.307 345 S C 0.367 174.871 174.600 -0.159 0.000 1.127 345 S CA -0.750 57.390 58.200 -0.100 0.000 1.097 345 S CB 0.081 63.172 63.200 -0.182 0.000 1.003 345 S HN 0.796 nan 8.310 nan 0.000 0.477 346 Y N 2.523 122.775 120.300 -0.079 0.000 2.348 346 Y HA 0.023 4.573 4.550 -0.000 0.000 0.285 346 Y C 1.665 177.515 175.900 -0.084 0.000 1.173 346 Y CA 1.189 59.241 58.100 -0.079 0.000 1.263 346 Y CB -1.085 37.319 38.460 -0.092 0.000 0.974 346 Y HN 0.640 nan 8.280 nan 0.000 0.547 347 G N 1.500 109.919 108.800 -0.636 0.000 2.434 347 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.214 347 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.214 347 G C 1.457 176.218 174.900 -0.232 0.000 1.202 347 G CA 1.017 45.850 45.100 -0.445 0.000 0.788 347 G HN 0.466 nan 8.290 nan 0.000 0.539 348 L N 0.908 121.971 121.223 -0.265 0.000 2.129 348 L HA -0.071 4.269 4.340 -0.000 0.000 0.212 348 L C 2.555 179.325 176.870 -0.168 0.000 1.087 348 L CA 2.097 56.789 54.840 -0.247 0.000 0.757 348 L CB -0.458 41.339 42.059 -0.437 0.000 0.896 348 L HN 0.408 nan 8.230 nan 0.000 0.434 349 E N -0.859 119.267 120.200 -0.124 0.000 2.072 349 E HA -0.190 4.160 4.350 -0.000 0.000 0.190 349 E C 2.328 178.912 176.600 -0.027 0.000 0.982 349 E CA 0.919 57.288 56.400 -0.051 0.000 0.803 349 E CB -0.145 29.555 29.700 -0.000 0.000 0.755 349 E HN 0.482 nan 8.360 nan 0.000 0.453 350 R N 0.526 121.018 120.500 -0.013 0.000 2.081 350 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 350 R C 2.478 178.772 176.300 -0.010 0.000 1.131 350 R CA 0.745 56.847 56.100 0.004 0.000 0.960 350 R CB -0.255 30.065 30.300 0.034 0.000 0.856 350 R HN 0.097 nan 8.270 nan 0.000 0.436 351 L N 0.440 121.645 121.223 -0.030 0.000 1.994 351 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 351 L C 2.244 179.101 176.870 -0.022 0.000 1.071 351 L CA 2.177 57.006 54.840 -0.019 0.000 0.745 351 L CB -0.617 41.421 42.059 -0.035 0.000 0.892 351 L HN 0.141 nan 8.230 nan 0.000 0.431 352 A N -0.456 122.337 122.820 -0.045 0.000 1.908 352 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 352 A C 2.449 180.009 177.584 -0.040 0.000 1.181 352 A CA 2.089 54.092 52.037 -0.056 0.000 0.627 352 A CB -1.309 17.647 19.000 -0.074 0.000 0.818 352 A HN 0.630 nan 8.150 nan 0.000 0.445 353 A N -0.472 122.332 122.820 -0.027 0.000 1.865 353 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 353 A C 2.307 179.882 177.584 -0.015 0.000 1.191 353 A CA 1.992 54.015 52.037 -0.022 0.000 0.623 353 A CB -0.597 18.390 19.000 -0.022 0.000 0.826 353 A HN 0.539 nan 8.150 nan 0.000 0.444 354 M N -1.075 118.522 119.600 -0.005 0.000 2.086 354 M HA -0.120 4.360 4.480 -0.000 0.000 0.261 354 M C 2.358 178.662 176.300 0.006 0.000 1.067 354 M CA 1.703 57.007 55.300 0.006 0.000 1.116 354 M CB -0.544 32.068 32.600 0.019 0.000 1.348 354 M HN 0.536 nan 8.290 nan 0.000 0.407 355 L N 0.292 121.518 121.223 0.004 0.000 2.013 355 L HA -0.287 4.053 4.340 -0.000 0.000 0.212 355 L C 2.590 179.463 176.870 0.004 0.000 1.073 355 L CA 1.416 56.261 54.840 0.010 0.000 0.753 355 L CB -0.185 41.881 42.059 0.011 0.000 0.890 355 L HN 0.307 nan 8.230 nan 0.000 0.432 356 M N -0.441 119.151 119.600 -0.013 0.000 2.108 356 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 356 M C 2.451 178.752 176.300 0.002 0.000 1.066 356 M CA 1.835 57.128 55.300 -0.012 0.000 1.107 356 M CB -1.633 30.953 32.600 -0.024 0.000 1.356 356 M HN 0.441 nan 8.290 nan 0.000 0.406 357 A N -0.130 122.691 122.820 0.001 0.000 2.186 357 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 357 A C 1.508 179.099 177.584 0.012 0.000 1.159 357 A CA 1.793 53.835 52.037 0.007 0.000 0.680 357 A CB -1.098 17.905 19.000 0.005 0.000 0.787 357 A HN 0.596 nan 8.150 nan 0.000 0.467 358 T N -2.670 111.892 114.554 0.013 0.000 3.255 358 T HA 0.540 4.890 4.350 -0.000 0.000 0.243 358 T C -0.528 174.184 174.700 0.021 0.000 1.057 358 T CA -0.222 61.887 62.100 0.016 0.000 1.121 358 T CB -0.137 68.740 68.868 0.014 0.000 1.104 358 T HN 0.502 nan 8.240 nan 0.000 0.571 359 V N 0.388 120.315 119.914 0.023 0.000 3.048 359 V HA 0.567 4.687 4.120 -0.000 0.000 0.303 359 V C -1.262 174.850 176.094 0.030 0.000 1.214 359 V CA -1.096 61.221 62.300 0.028 0.000 0.984 359 V CB 2.374 34.216 31.823 0.032 0.000 1.054 359 V HN 0.383 nan 8.190 nan 0.000 0.430 360 K N 5.515 125.936 120.400 0.035 0.000 2.021 360 K HA 0.203 4.523 4.320 -0.000 0.000 0.238 360 K C 1.149 177.775 176.600 0.043 0.000 1.149 360 K CA 0.187 56.498 56.287 0.040 0.000 1.105 360 K CB -0.012 32.516 32.500 0.046 0.000 1.246 360 K HN 0.592 nan 8.250 nan 0.000 0.307 361 M N 0.528 120.151 119.600 0.038 0.000 2.067 361 M HA -0.163 4.317 4.480 -0.000 0.000 0.260 361 M C 1.434 177.757 176.300 0.038 0.000 1.069 361 M CA 1.614 56.935 55.300 0.036 0.000 1.117 361 M CB -0.544 32.077 32.600 0.035 0.000 1.334 361 M HN 0.614 nan 8.290 nan 0.000 0.407 362 E N 0.127 120.354 120.200 0.045 0.000 2.510 362 E HA -0.172 4.178 4.350 -0.000 0.000 0.202 362 E C 0.937 177.571 176.600 0.057 0.000 1.072 362 E CA 0.553 56.982 56.400 0.049 0.000 0.883 362 E CB 0.159 29.892 29.700 0.055 0.000 0.818 362 E HN 0.474 nan 8.360 nan 0.000 0.548 363 E N -0.305 119.934 120.200 0.066 0.000 2.810 363 E HA 0.070 4.420 4.350 -0.000 0.000 0.214 363 E C 1.304 177.943 176.600 0.066 0.000 0.980 363 E CA -0.180 56.292 56.400 0.119 0.000 1.159 363 E CB 0.350 30.148 29.700 0.163 0.000 1.047 363 E HN 0.247 nan 8.360 nan 0.000 0.484 364 L N -0.071 121.163 121.223 0.019 0.000 2.083 364 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 364 L C 2.086 178.942 176.870 -0.023 0.000 1.083 364 L CA 1.689 56.536 54.840 0.012 0.000 0.752 364 L CB -0.155 41.910 42.059 0.010 0.000 0.899 364 L HN 0.311 nan 8.230 nan 0.000 0.433 365 G N -1.690 107.047 108.800 -0.106 0.000 2.448 365 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 365 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 365 G C 1.171 175.973 174.900 -0.164 0.000 1.127 365 G CA 0.439 45.440 45.100 -0.165 0.000 0.766 365 G HN 0.489 nan 8.290 nan 0.000 0.552 366 H N -0.823 118.258 119.070 0.018 0.000 2.547 366 H HA 0.197 4.753 4.556 -0.000 0.000 0.266 366 H C 0.904 176.240 175.328 0.013 0.000 0.988 366 H CA -0.247 55.808 56.048 0.013 0.000 1.147 366 H CB 0.127 29.895 29.762 0.010 0.000 1.365 366 H HN 0.227 nan 8.280 nan 0.000 0.589 367 L N 1.103 122.382 121.223 0.094 0.000 2.488 367 L HA 0.160 4.500 4.340 -0.000 0.000 0.249 367 L C 1.192 178.091 176.870 0.049 0.000 1.151 367 L CA -0.326 54.554 54.840 0.068 0.000 0.806 367 L CB 0.844 42.935 42.059 0.054 0.000 1.261 367 L HN 0.151 nan 8.230 nan 0.000 0.484 368 T N -2.446 112.132 114.554 0.040 0.000 2.754 368 T HA 0.177 4.527 4.350 -0.000 0.000 0.286 368 T C 1.049 175.766 174.700 0.028 0.000 0.997 368 T CA 0.244 62.363 62.100 0.031 0.000 0.982 368 T CB 0.451 69.333 68.868 0.024 0.000 1.027 368 T HN 0.651 nan 8.240 nan 0.000 0.529 369 T N 0.232 114.800 114.554 0.024 0.000 2.639 369 T HA -0.083 4.267 4.350 -0.000 0.000 0.261 369 T C 1.780 176.494 174.700 0.023 0.000 1.053 369 T CA 1.377 63.490 62.100 0.021 0.000 1.158 369 T CB -0.553 68.328 68.868 0.021 0.000 0.863 369 T HN 0.831 nan 8.240 nan 0.000 0.413 370 E N 0.816 121.029 120.200 0.022 0.000 2.097 370 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 370 E C 2.063 178.689 176.600 0.044 0.000 1.000 370 E CA 1.147 57.562 56.400 0.024 0.000 0.804 370 E CB 0.025 29.730 29.700 0.009 0.000 0.740 370 E HN 0.193 nan 8.360 nan 0.000 0.454 371 K N 0.342 120.767 120.400 0.041 0.000 2.148 371 K HA -0.137 4.183 4.320 -0.000 0.000 0.204 371 K C 2.148 178.807 176.600 0.098 0.000 1.050 371 K CA 0.851 57.184 56.287 0.076 0.000 0.942 371 K CB -0.272 32.259 32.500 0.052 0.000 0.724 371 K HN 0.284 nan 8.250 nan 0.000 0.446 372 Q N 0.959 120.790 119.800 0.052 0.000 2.046 372 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 372 Q C 1.778 177.779 176.000 0.003 0.000 0.975 372 Q CA 1.445 57.264 55.803 0.025 0.000 0.836 372 Q CB 0.193 28.938 28.738 0.010 0.000 0.896 372 Q HN 0.345 nan 8.270 nan 0.000 0.428 373 E N -0.445 119.757 120.200 0.004 0.000 2.007 373 E HA -0.249 4.100 4.350 -0.000 0.000 0.194 373 E C 1.808 178.376 176.600 -0.054 0.000 0.999 373 E CA 1.330 57.702 56.400 -0.048 0.000 0.811 373 E CB -0.443 29.240 29.700 -0.027 0.000 0.762 373 E HN 0.379 nan 8.360 nan 0.000 0.450 374 Y N 1.595 121.838 120.300 -0.095 0.000 2.173 374 Y HA -0.364 4.186 4.550 -0.000 0.000 0.282 374 Y C 2.086 177.936 175.900 -0.082 0.000 1.192 374 Y CA 1.655 59.705 58.100 -0.084 0.000 1.176 374 Y CB -0.501 37.934 38.460 -0.041 0.000 0.969 374 Y HN 0.058 nan 8.280 nan 0.000 0.519 375 A N -0.062 122.724 122.820 -0.057 0.000 1.828 375 A HA -0.175 4.145 4.320 -0.000 0.000 0.215 375 A C 2.112 179.589 177.584 -0.177 0.000 1.203 375 A CA 1.945 53.911 52.037 -0.120 0.000 0.614 375 A CB -1.309 17.686 19.000 -0.008 0.000 0.844 375 A HN 0.420 nan 8.150 nan 0.000 0.445 376 L N -0.308 120.832 121.223 -0.138 0.000 2.042 376 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 376 L C 2.585 179.305 176.870 -0.251 0.000 1.076 376 L CA 1.924 56.673 54.840 -0.151 0.000 0.749 376 L CB -0.812 41.167 42.059 -0.133 0.000 0.893 376 L HN 0.406 nan 8.230 nan 0.000 0.432 377 R N -0.175 120.106 120.500 -0.365 0.000 2.122 377 R HA -0.234 4.106 4.340 -0.000 0.000 0.236 377 R C 2.271 178.360 176.300 -0.353 0.000 1.129 377 R CA 2.381 58.143 56.100 -0.562 0.000 0.925 377 R CB -0.630 29.371 30.300 -0.497 0.000 0.850 377 R HN 0.424 nan 8.270 nan 0.000 0.431 378 L N -1.377 119.642 121.223 -0.341 0.000 2.275 378 L HA 0.129 4.469 4.340 -0.000 0.000 0.215 378 L C 2.124 178.909 176.870 -0.143 0.000 1.119 378 L CA 1.798 56.487 54.840 -0.252 0.000 0.790 378 L CB -0.468 41.345 42.059 -0.410 0.000 0.919 378 L HN 0.061 nan 8.230 nan 0.000 0.443 379 A N -0.003 122.735 122.820 -0.137 0.000 1.972 379 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 379 A C 2.274 179.880 177.584 0.036 0.000 1.169 379 A CA 2.142 54.153 52.037 -0.044 0.000 0.635 379 A CB -1.135 17.841 19.000 -0.040 0.000 0.810 379 A HN 0.558 nan 8.150 nan 0.000 0.446 380 T N -0.506 114.059 114.554 0.018 0.000 2.851 380 T HA -0.058 4.292 4.350 -0.000 0.000 0.262 380 T C 1.877 176.636 174.700 0.099 0.000 1.043 380 T CA 1.394 63.539 62.100 0.075 0.000 1.140 380 T CB -0.315 68.643 68.868 0.151 0.000 0.872 380 T HN 0.184 nan 8.240 nan 0.000 0.446 381 V N 1.361 121.325 119.914 0.082 0.000 2.407 381 V HA -0.043 4.077 4.120 -0.000 0.000 0.248 381 V C 2.705 178.831 176.094 0.054 0.000 1.055 381 V CA 1.970 64.313 62.300 0.071 0.000 1.049 381 V CB -1.078 30.768 31.823 0.039 0.000 0.662 381 V HN 0.590 nan 8.190 nan 0.000 0.455 382 G N -2.312 106.513 108.800 0.040 0.000 2.939 382 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.210 382 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.210 382 G C 1.277 176.217 174.900 0.067 0.000 1.160 382 G CA 0.205 45.323 45.100 0.031 0.000 0.770 382 G HN 0.490 nan 8.290 nan 0.000 0.543 383 Y N 2.654 122.944 120.300 -0.017 0.000 2.096 383 Y HA -0.194 4.356 4.550 -0.000 0.000 0.278 383 Y C 0.121 176.015 175.900 -0.009 0.000 1.192 383 Y CA 2.309 60.401 58.100 -0.014 0.000 1.143 383 Y CB -0.889 37.563 38.460 -0.013 0.000 0.963 383 Y HN 0.245 nan 8.280 nan 0.000 0.505 384 P HA -0.199 nan 4.420 nan 0.000 0.205 384 P C 1.443 178.743 177.300 0.000 0.000 1.193 384 P CA 1.939 65.107 63.100 0.114 0.000 0.929 384 P CB -0.087 31.689 31.700 0.128 0.000 0.772 385 K N -0.598 119.812 120.400 0.017 0.000 2.228 385 K HA -0.068 4.252 4.320 -0.000 0.000 0.205 385 K C 0.816 177.399 176.600 -0.028 0.000 1.045 385 K CA 1.276 57.565 56.287 0.003 0.000 0.931 385 K CB -0.511 32.008 32.500 0.033 0.000 0.727 385 K HN 0.227 nan 8.250 nan 0.000 0.458 386 A N -2.416 120.368 122.820 -0.060 0.000 2.601 386 A HA 0.556 4.876 4.320 -0.000 0.000 0.291 386 A C -0.219 177.281 177.584 -0.140 0.000 1.075 386 A CA 0.023 52.014 52.037 -0.076 0.000 0.671 386 A CB 1.403 20.380 19.000 -0.037 0.000 1.277 386 A HN 0.173 nan 8.150 nan 0.000 0.417 387 G N -0.730 107.996 108.800 -0.123 0.000 2.327 387 G HA2 0.067 4.027 3.960 -0.000 0.000 0.159 387 G HA3 0.067 4.027 3.960 -0.000 0.000 0.159 387 G C 0.330 175.102 174.900 -0.212 0.000 1.056 387 G CA 0.220 45.227 45.100 -0.155 0.000 0.751 387 G HN 1.532 nan 8.290 nan 0.000 0.488 388 V N -1.179 118.655 119.914 -0.132 0.000 3.306 388 V HA 0.135 4.255 4.120 -0.000 0.000 0.264 388 V C 1.350 177.339 176.094 -0.176 0.000 1.149 388 V CA 1.590 63.797 62.300 -0.155 0.000 1.143 388 V CB -0.324 31.455 31.823 -0.072 0.000 0.767 388 V HN 0.524 nan 8.190 nan 0.000 0.476 389 Y N -0.648 119.604 120.300 -0.079 0.000 2.809 389 Y HA 0.424 4.974 4.550 -0.000 0.000 0.251 389 Y C 0.892 176.766 175.900 -0.043 0.000 1.136 389 Y CA -0.488 57.582 58.100 -0.050 0.000 1.185 389 Y CB 0.920 39.359 38.460 -0.036 0.000 1.260 389 Y HN 0.103 nan 8.280 nan 0.000 0.576 390 S N -0.344 115.388 115.700 0.053 0.000 2.554 390 S HA 0.481 4.951 4.470 -0.000 0.000 0.278 390 S C 1.080 175.693 174.600 0.022 0.000 1.242 390 S CA -0.126 58.094 58.200 0.033 0.000 1.051 390 S CB 0.889 64.085 63.200 -0.007 0.000 0.986 390 S HN 0.533 nan 8.310 nan 0.000 0.502 391 G N 4.563 113.386 108.800 0.038 0.000 3.263 391 G HA2 0.168 4.128 3.960 -0.000 0.000 0.246 391 G HA3 0.168 4.128 3.960 -0.000 0.000 0.246 391 G C 0.833 175.755 174.900 0.036 0.000 0.982 391 G CA -0.162 44.961 45.100 0.039 0.000 1.897 391 G HN 0.758 nan 8.290 nan 0.000 0.624 392 L N -0.178 121.065 121.223 0.033 0.000 2.005 392 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 392 L C 2.624 179.534 176.870 0.067 0.000 1.072 392 L CA 0.876 55.748 54.840 0.054 0.000 0.744 392 L CB -0.212 41.899 42.059 0.087 0.000 0.895 392 L HN 0.312 nan 8.230 nan 0.000 0.433 393 I N 0.100 120.714 120.570 0.073 0.000 2.335 393 I HA -0.208 3.962 4.170 -0.000 0.000 0.251 393 I C 2.540 178.701 176.117 0.073 0.000 1.129 393 I CA 1.500 62.836 61.300 0.060 0.000 1.402 393 I CB -1.240 36.785 38.000 0.042 0.000 1.069 393 I HN 0.203 nan 8.210 nan 0.000 0.424 394 G N 0.511 109.350 108.800 0.064 0.000 2.421 394 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 394 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 394 G C 1.855 176.797 174.900 0.071 0.000 1.171 394 G CA 0.823 45.965 45.100 0.069 0.000 0.775 394 G HN 0.503 nan 8.290 nan 0.000 0.543 395 G N 1.132 109.966 108.800 0.057 0.000 2.440 395 G HA2 0.013 3.973 3.960 -0.000 0.000 0.218 395 G HA3 0.013 3.973 3.960 -0.000 0.000 0.218 395 G C 2.057 176.995 174.900 0.062 0.000 1.154 395 G CA 1.561 46.688 45.100 0.045 0.000 0.767 395 G HN 0.689 nan 8.290 nan 0.000 0.552 396 A N 0.086 122.959 122.820 0.088 0.000 2.024 396 A HA -0.000 4.320 4.320 -0.000 0.000 0.220 396 A C 2.506 180.249 177.584 0.265 0.000 1.164 396 A CA 2.428 54.556 52.037 0.152 0.000 0.643 396 A CB -0.667 18.404 19.000 0.118 0.000 0.806 396 A HN 0.328 nan 8.150 nan 0.000 0.451 397 T N -0.615 114.072 114.554 0.221 0.000 2.770 397 T HA -0.059 4.291 4.350 -0.000 0.000 0.258 397 T C 2.283 177.021 174.700 0.063 0.000 1.039 397 T CA 1.399 63.613 62.100 0.191 0.000 1.143 397 T CB -0.318 68.655 68.868 0.174 0.000 0.866 397 T HN 0.456 nan 8.240 nan 0.000 0.428 398 S N 0.972 116.698 115.700 0.043 0.000 2.365 398 S HA -0.127 4.343 4.470 -0.000 0.000 0.225 398 S C 2.241 176.812 174.600 -0.048 0.000 1.039 398 S CA 1.181 59.371 58.200 -0.018 0.000 1.033 398 S CB -0.728 62.454 63.200 -0.029 0.000 0.887 398 S HN 0.315 nan 8.310 nan 0.000 0.447 399 V N 1.785 121.689 119.914 -0.017 0.000 2.343 399 V HA -0.118 4.002 4.120 -0.000 0.000 0.247 399 V C 2.059 178.140 176.094 -0.022 0.000 1.051 399 V CA 1.818 64.104 62.300 -0.022 0.000 1.036 399 V CB -0.395 31.429 31.823 0.000 0.000 0.654 399 V HN 0.467 nan 8.190 nan 0.000 0.451 400 L N -0.200 121.006 121.223 -0.029 0.000 2.027 400 L HA -0.044 4.296 4.340 -0.000 0.000 0.206 400 L C 2.216 179.063 176.870 -0.039 0.000 1.074 400 L CA 2.404 57.189 54.840 -0.091 0.000 0.745 400 L CB -0.999 40.860 42.059 -0.333 0.000 0.898 400 L HN 0.382 nan 8.230 nan 0.000 0.433 401 L N -0.539 120.670 121.223 -0.022 0.000 2.013 401 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 401 L C 2.530 179.422 176.870 0.038 0.000 1.073 401 L CA 2.273 57.138 54.840 0.041 0.000 0.753 401 L CB -1.035 41.037 42.059 0.021 0.000 0.890 401 L HN 0.383 nan 8.230 nan 0.000 0.432 402 S N -0.331 115.357 115.700 -0.019 0.000 2.359 402 S HA -0.224 4.246 4.470 -0.000 0.000 0.224 402 S C 2.098 176.717 174.600 0.032 0.000 1.035 402 S CA 1.265 59.450 58.200 -0.025 0.000 1.018 402 S CB -0.787 62.374 63.200 -0.066 0.000 0.876 402 S HN 0.703 nan 8.310 nan 0.000 0.448 403 A N 1.005 123.857 122.820 0.053 0.000 1.892 403 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 403 A C 2.016 179.711 177.584 0.185 0.000 1.188 403 A CA 2.016 54.113 52.037 0.100 0.000 0.631 403 A CB -1.118 17.919 19.000 0.061 0.000 0.822 403 A HN 0.569 nan 8.150 nan 0.000 0.447 404 Y N 1.422 121.728 120.300 0.011 0.000 2.145 404 Y HA -0.215 4.335 4.550 -0.000 0.000 0.286 404 Y C 2.120 178.036 175.900 0.028 0.000 1.145 404 Y CA 1.712 59.826 58.100 0.023 0.000 1.148 404 Y CB -1.082 37.379 38.460 0.002 0.000 0.981 404 Y HN 0.496 nan 8.280 nan 0.000 0.507 405 N N -0.267 118.366 118.700 -0.111 0.000 2.149 405 N HA -0.215 4.525 4.740 -0.000 0.000 0.188 405 N C 1.960 177.378 175.510 -0.154 0.000 1.019 405 N CA 0.798 53.708 53.050 -0.233 0.000 0.857 405 N CB -0.253 38.152 38.487 -0.137 0.000 0.997 405 N HN 0.269 nan 8.380 nan 0.000 0.426 406 R N 0.325 120.786 120.500 -0.065 0.000 2.276 406 R HA 0.035 4.375 4.340 -0.000 0.000 0.203 406 R C -0.182 175.933 176.300 -0.308 0.000 1.017 406 R CA 0.690 56.706 56.100 -0.139 0.000 1.010 406 R CB 0.169 30.420 30.300 -0.082 0.000 0.900 406 R HN 0.342 nan 8.270 nan 0.000 0.469 407 H N -1.623 117.443 119.070 -0.007 0.000 2.941 407 H HA 0.293 4.849 4.556 -0.000 0.000 0.344 407 H C -2.359 173.003 175.328 0.056 0.000 1.235 407 H CA -1.735 54.333 56.048 0.034 0.000 1.149 407 H CB 2.252 32.047 29.762 0.054 0.000 1.885 407 H HN -0.107 nan 8.280 nan 0.000 0.558 408 P HA 0.209 nan 4.420 nan 0.000 0.208 408 P C -0.893 176.566 177.300 0.265 0.000 1.863 408 P CA -0.275 62.940 63.100 0.192 0.000 1.037 408 P CB -0.374 31.416 31.700 0.150 0.000 1.881 409 L N 0.399 121.827 121.223 0.342 0.000 3.601 409 L HA -0.229 4.111 4.340 -0.000 0.000 0.469 409 L C -0.276 176.766 176.870 0.286 0.000 1.294 409 L CA 0.757 55.764 54.840 0.279 0.000 0.829 409 L CB -2.643 39.550 42.059 0.223 0.000 1.628 409 L HN 0.332 nan 8.230 nan 0.000 0.868 410 F N -0.299 119.684 119.950 0.054 0.000 2.637 410 F HA 0.353 4.880 4.527 -0.000 0.000 0.316 410 F C -1.106 174.637 175.800 -0.094 0.000 1.023 410 F CA -0.662 57.324 58.000 -0.025 0.000 1.071 410 F CB 0.842 39.831 39.000 -0.018 0.000 1.319 410 F HN 0.020 nan 8.300 nan 0.000 0.541 411 Q N 6.217 125.517 119.800 -0.833 0.000 2.230 411 Q HA 0.457 4.797 4.340 -0.000 0.000 0.253 411 Q C -2.546 172.749 176.000 -1.175 0.000 0.919 411 Q CA -2.074 53.233 55.803 -0.825 0.000 0.908 411 Q CB 1.575 30.076 28.738 -0.395 0.000 1.245 411 Q HN 0.365 nan 8.270 nan 0.000 0.437 412 P HA -0.061 nan 4.420 nan 0.000 0.261 412 P C 0.842 177.898 177.300 -0.408 0.000 1.173 412 P CA 0.326 63.113 63.100 -0.521 0.000 0.760 412 P CB 0.495 32.037 31.700 -0.262 0.000 0.783 413 L N 2.676 123.729 121.223 -0.283 0.000 2.137 413 L HA -0.207 4.133 4.340 -0.000 0.000 0.213 413 L C 0.922 177.490 176.870 -0.504 0.000 1.085 413 L CA 1.571 56.228 54.840 -0.305 0.000 0.760 413 L CB -0.295 41.657 42.059 -0.178 0.000 0.893 413 L HN 0.571 nan 8.230 nan 0.000 0.434 414 H N -1.583 117.462 119.070 -0.042 0.000 2.616 414 H HA 0.196 4.752 4.556 -0.000 0.000 0.229 414 H C -0.315 174.997 175.328 -0.027 0.000 1.418 414 H CA -0.138 55.898 56.048 -0.021 0.000 1.248 414 H CB 0.649 30.411 29.762 -0.001 0.000 1.822 414 H HN -0.031 nan 8.280 nan 0.000 0.522 415 T N -0.502 114.061 114.554 0.015 0.000 2.918 415 T HA 0.146 4.496 4.350 -0.000 0.000 0.283 415 T C 1.525 176.236 174.700 0.018 0.000 1.001 415 T CA -0.253 61.847 62.100 0.001 0.000 1.041 415 T CB 1.752 70.582 68.868 -0.064 0.000 1.028 415 T HN 0.176 nan 8.240 nan 0.000 0.511 416 V N 5.005 124.933 119.914 0.023 0.000 2.490 416 V HA -0.067 4.053 4.120 -0.000 0.000 0.250 416 V C 2.196 178.298 176.094 0.013 0.000 1.061 416 V CA 2.515 64.831 62.300 0.026 0.000 1.064 416 V CB -0.690 31.148 31.823 0.026 0.000 0.670 416 V HN 0.993 nan 8.190 nan 0.000 0.461 417 M N -0.515 119.085 119.600 0.001 0.000 2.319 417 M HA -0.090 4.390 4.480 -0.000 0.000 0.265 417 M C 2.199 178.485 176.300 -0.024 0.000 1.068 417 M CA 1.850 57.145 55.300 -0.009 0.000 1.118 417 M CB -0.192 32.407 32.600 -0.002 0.000 1.395 417 M HN 0.339 nan 8.290 nan 0.000 0.435 418 R N 0.607 121.092 120.500 -0.025 0.000 2.096 418 R HA -0.253 4.087 4.340 -0.000 0.000 0.240 418 R C 1.929 178.204 176.300 -0.042 0.000 1.139 418 R CA 2.296 58.391 56.100 -0.009 0.000 0.952 418 R CB -0.391 29.906 30.300 -0.005 0.000 0.854 418 R HN 0.425 nan 8.270 nan 0.000 0.436 419 E N -0.555 119.644 120.200 -0.002 0.000 2.160 419 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 419 E C 1.502 178.105 176.600 0.006 0.000 0.991 419 E CA 2.242 58.666 56.400 0.041 0.000 0.810 419 E CB -0.280 29.462 29.700 0.071 0.000 0.742 419 E HN 0.432 nan 8.360 nan 0.000 0.466 420 T N 0.573 115.099 114.554 -0.046 0.000 2.643 420 T HA -0.140 4.210 4.350 -0.000 0.000 0.264 420 T C 1.688 176.302 174.700 -0.144 0.000 1.045 420 T CA 1.490 63.542 62.100 -0.080 0.000 1.155 420 T CB -0.403 68.436 68.868 -0.049 0.000 0.863 420 T HN 0.089 nan 8.240 nan 0.000 0.420 421 L N 0.570 121.690 121.223 -0.172 0.000 2.129 421 L HA -0.047 4.293 4.340 -0.000 0.000 0.212 421 L C 2.075 178.617 176.870 -0.546 0.000 1.087 421 L CA 1.368 56.084 54.840 -0.205 0.000 0.757 421 L CB -0.966 41.065 42.059 -0.046 0.000 0.896 421 L HN 0.227 nan 8.230 nan 0.000 0.434 422 F N 0.216 119.505 119.950 -1.102 0.000 2.113 422 F HA -0.166 4.361 4.527 -0.000 0.000 0.297 422 F C 2.265 177.856 175.800 -0.349 0.000 1.103 422 F CA 1.342 58.646 58.000 -1.160 0.000 1.248 422 F CB -0.330 38.216 39.000 -0.757 0.000 0.999 422 F HN -0.022 nan 8.300 nan 0.000 0.475 423 I N 0.336 120.679 120.570 -0.379 0.000 2.226 423 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 423 I C 2.731 178.734 176.117 -0.191 0.000 1.100 423 I CA 1.429 62.562 61.300 -0.278 0.000 1.374 423 I CB -1.392 36.354 38.000 -0.423 0.000 1.057 423 I HN 0.318 nan 8.210 nan 0.000 0.413 424 G N 0.624 109.320 108.800 -0.173 0.000 2.408 424 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 424 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 424 G C 1.815 176.661 174.900 -0.090 0.000 1.150 424 G CA 0.948 46.005 45.100 -0.071 0.000 0.776 424 G HN 0.498 nan 8.290 nan 0.000 0.542 425 S N 0.461 116.091 115.700 -0.115 0.000 2.387 425 S HA -0.267 4.203 4.470 -0.000 0.000 0.230 425 S C 2.088 176.548 174.600 -0.233 0.000 1.035 425 S CA 1.741 59.859 58.200 -0.137 0.000 1.014 425 S CB -0.827 62.417 63.200 0.073 0.000 0.836 425 S HN 0.519 nan 8.310 nan 0.000 0.466 426 H N 0.464 119.440 119.070 -0.158 0.000 2.290 426 H HA -0.020 4.535 4.556 -0.000 0.000 0.298 426 H C 2.496 177.694 175.328 -0.217 0.000 1.087 426 H CA 1.687 57.633 56.048 -0.170 0.000 1.291 426 H CB -0.986 28.684 29.762 -0.153 0.000 1.369 426 H HN 0.404 nan 8.280 nan 0.000 0.492 427 V N 1.180 121.045 119.914 -0.081 0.000 2.913 427 V HA -0.130 3.990 4.120 -0.000 0.000 0.260 427 V C 2.217 178.173 176.094 -0.231 0.000 1.098 427 V CA 0.836 63.016 62.300 -0.200 0.000 1.121 427 V CB -0.422 31.362 31.823 -0.066 0.000 0.714 427 V HN 0.132 nan 8.190 nan 0.000 0.487 428 V N -0.731 119.038 119.914 -0.240 0.000 2.426 428 V HA -0.072 4.048 4.120 -0.000 0.000 0.242 428 V C 2.235 178.193 176.094 -0.226 0.000 1.036 428 V CA 1.543 63.661 62.300 -0.303 0.000 1.044 428 V CB -0.320 31.109 31.823 -0.657 0.000 0.688 428 V HN 0.516 nan 8.190 nan 0.000 0.462 429 L N 0.359 121.465 121.223 -0.196 0.000 1.989 429 L HA -0.164 4.176 4.340 -0.000 0.000 0.211 429 L C 2.615 179.411 176.870 -0.123 0.000 1.071 429 L CA 2.063 56.829 54.840 -0.123 0.000 0.749 429 L CB -0.657 41.352 42.059 -0.082 0.000 0.890 429 L HN 0.148 nan 8.230 nan 0.000 0.431 430 R N -0.817 119.567 120.500 -0.193 0.000 2.113 430 R HA -0.275 4.065 4.340 -0.000 0.000 0.244 430 R C 2.270 178.477 176.300 -0.154 0.000 1.142 430 R CA 1.945 57.896 56.100 -0.249 0.000 0.953 430 R CB -0.261 29.708 30.300 -0.551 0.000 0.860 430 R HN 0.442 nan 8.270 nan 0.000 0.438 431 E N 0.528 120.646 120.200 -0.137 0.000 2.038 431 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 431 E C 1.945 178.595 176.600 0.083 0.000 1.000 431 E CA 1.429 57.848 56.400 0.032 0.000 0.803 431 E CB -0.330 29.383 29.700 0.023 0.000 0.750 431 E HN 0.287 nan 8.360 nan 0.000 0.448 432 L N 0.338 121.603 121.223 0.070 0.000 2.013 432 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 432 L C 2.598 179.529 176.870 0.101 0.000 1.073 432 L CA 1.590 56.548 54.840 0.195 0.000 0.753 432 L CB -0.477 41.627 42.059 0.074 0.000 0.890 432 L HN 0.087 nan 8.230 nan 0.000 0.432 433 R N -0.243 120.254 120.500 -0.006 0.000 2.159 433 R HA -0.076 4.264 4.340 -0.000 0.000 0.237 433 R C 0.762 177.032 176.300 -0.049 0.000 1.131 433 R CA 0.654 56.706 56.100 -0.079 0.000 0.982 433 R CB -0.921 29.330 30.300 -0.080 0.000 0.868 433 R HN 0.180 nan 8.270 nan 0.000 0.453 434 L N 1.720 122.989 121.223 0.078 0.000 2.456 434 L HA -0.028 4.312 4.340 -0.000 0.000 0.246 434 L C 1.522 178.485 176.870 0.154 0.000 1.238 434 L CA 0.690 55.592 54.840 0.103 0.000 0.826 434 L CB 0.170 42.304 42.059 0.125 0.000 1.150 434 L HN 0.238 nan 8.230 nan 0.000 0.514 435 N N -1.236 117.540 118.700 0.127 0.000 2.177 435 N HA 0.037 4.777 4.740 -0.000 0.000 0.218 435 N C -0.770 174.849 175.510 0.183 0.000 1.182 435 N CA -0.007 53.138 53.050 0.159 0.000 0.882 435 N CB 0.451 38.973 38.487 0.059 0.000 1.052 435 N HN 0.216 nan 8.380 nan 0.000 0.519 436 V N 2.445 122.431 119.914 0.121 0.000 2.320 436 V HA 0.171 4.291 4.120 -0.000 0.000 0.265 436 V C 0.574 176.628 176.094 -0.067 0.000 1.048 436 V CA -0.627 61.687 62.300 0.023 0.000 0.865 436 V CB 0.172 31.976 31.823 -0.032 0.000 1.043 436 V HN 0.255 nan 8.190 nan 0.000 0.474 437 T N 1.476 116.001 114.554 -0.047 0.000 3.738 437 T HA 0.105 4.455 4.350 -0.000 0.000 0.231 437 T C 0.410 175.024 174.700 -0.144 0.000 0.967 437 T CA -0.202 61.808 62.100 -0.150 0.000 1.227 437 T CB -1.036 67.825 68.868 -0.012 0.000 1.136 437 T HN 0.615 nan 8.240 nan 0.000 0.807 438 T N 3.669 118.104 114.554 -0.200 0.000 2.779 438 T HA 0.366 4.716 4.350 -0.000 0.000 0.280 438 T C 0.388 175.009 174.700 -0.131 0.000 0.987 438 T CA -0.896 61.108 62.100 -0.160 0.000 0.966 438 T CB 1.305 70.044 68.868 -0.214 0.000 0.933 438 T HN 0.630 nan 8.240 nan 0.000 0.442 439 Q N 0.583 120.340 119.800 -0.072 0.000 2.494 439 Q HA -0.224 4.116 4.340 -0.000 0.000 0.266 439 Q C 1.588 177.567 176.000 -0.035 0.000 1.053 439 Q CA 0.602 56.386 55.803 -0.032 0.000 1.029 439 Q CB -1.969 26.756 28.738 -0.022 0.000 1.423 439 Q HN 1.025 nan 8.270 nan 0.000 0.516 440 G N 1.251 110.015 108.800 -0.060 0.000 2.476 440 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 440 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 440 G C -0.950 173.961 174.900 0.018 0.000 1.164 440 G CA 1.415 46.487 45.100 -0.046 0.000 0.768 440 G HN 0.368 nan 8.290 nan 0.000 0.560 441 P HA -0.090 nan 4.420 nan 0.000 0.216 441 P C 1.543 178.881 177.300 0.063 0.000 1.153 441 P CA 1.376 64.507 63.100 0.051 0.000 0.848 441 P CB -0.069 31.661 31.700 0.051 0.000 0.787 442 N N -0.873 117.862 118.700 0.058 0.000 2.309 442 N HA -0.120 4.620 4.740 -0.000 0.000 0.182 442 N C 1.543 177.112 175.510 0.099 0.000 1.018 442 N CA 0.673 53.769 53.050 0.077 0.000 0.876 442 N CB -0.703 37.823 38.487 0.065 0.000 0.972 442 N HN 0.034 nan 8.380 nan 0.000 0.434 443 L N -0.501 120.767 121.223 0.076 0.000 2.102 443 L HA 0.209 4.549 4.340 -0.000 0.000 0.202 443 L C 2.119 179.066 176.870 0.128 0.000 1.076 443 L CA 1.138 56.032 54.840 0.091 0.000 0.761 443 L CB -0.583 41.491 42.059 0.025 0.000 0.921 443 L HN 0.124 nan 8.230 nan 0.000 0.444 444 A N 0.224 123.104 122.820 0.100 0.000 1.958 444 A HA -0.285 4.035 4.320 -0.000 0.000 0.221 444 A C 2.202 179.844 177.584 0.096 0.000 1.178 444 A CA 2.170 54.268 52.037 0.101 0.000 0.642 444 A CB -1.069 17.980 19.000 0.083 0.000 0.816 444 A HN 0.544 nan 8.150 nan 0.000 0.453 445 L N -1.538 119.743 121.223 0.097 0.000 1.989 445 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 445 L C 2.270 179.201 176.870 0.102 0.000 1.071 445 L CA 2.624 57.512 54.840 0.080 0.000 0.749 445 L CB -1.110 41.014 42.059 0.108 0.000 0.890 445 L HN 0.508 nan 8.230 nan 0.000 0.431 446 Y N 0.184 120.505 120.300 0.036 0.000 2.102 446 Y HA -0.386 4.164 4.550 -0.000 0.000 0.280 446 Y C 2.638 178.546 175.900 0.012 0.000 1.178 446 Y CA 2.405 60.525 58.100 0.033 0.000 1.146 446 Y CB -0.117 38.366 38.460 0.039 0.000 0.968 446 Y HN 0.437 nan 8.280 nan 0.000 0.504 447 Q N -0.647 119.315 119.800 0.269 0.000 2.050 447 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 447 Q C 2.223 178.246 176.000 0.039 0.000 0.980 447 Q CA 1.647 57.546 55.803 0.161 0.000 0.840 447 Q CB -0.492 28.324 28.738 0.130 0.000 0.898 447 Q HN 0.502 nan 8.270 nan 0.000 0.424 448 L N 1.138 122.361 121.223 0.000 0.000 1.990 448 L HA -0.219 4.121 4.340 -0.000 0.000 0.213 448 L C 2.086 178.890 176.870 -0.111 0.000 1.072 448 L CA 1.712 56.504 54.840 -0.081 0.000 0.755 448 L CB -0.664 41.285 42.059 -0.183 0.000 0.889 448 L HN 0.189 nan 8.230 nan 0.000 0.432 449 L N -0.710 120.440 121.223 -0.121 0.000 1.971 449 L HA -0.269 4.071 4.340 -0.000 0.000 0.215 449 L C 2.667 179.333 176.870 -0.341 0.000 1.072 449 L CA 1.893 56.571 54.840 -0.270 0.000 0.758 449 L CB -1.217 40.700 42.059 -0.238 0.000 0.889 449 L HN 0.509 nan 8.230 nan 0.000 0.433 450 S N -1.260 114.306 115.700 -0.223 0.000 2.387 450 S HA -0.220 4.250 4.470 -0.000 0.000 0.230 450 S C 1.904 176.418 174.600 -0.142 0.000 1.035 450 S CA 1.885 59.992 58.200 -0.155 0.000 1.014 450 S CB -1.066 62.129 63.200 -0.009 0.000 0.836 450 S HN 0.405 nan 8.310 nan 0.000 0.466 451 T N 2.933 117.416 114.554 -0.117 0.000 2.652 451 T HA -0.028 4.322 4.350 -0.000 0.000 0.267 451 T C 2.265 176.903 174.700 -0.103 0.000 1.039 451 T CA 1.581 63.617 62.100 -0.107 0.000 1.153 451 T CB -0.928 67.887 68.868 -0.088 0.000 0.863 451 T HN 0.638 nan 8.240 nan 0.000 0.428 452 A N 1.072 123.817 122.820 -0.125 0.000 1.908 452 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 452 A C 2.282 179.802 177.584 -0.106 0.000 1.181 452 A CA 1.300 53.281 52.037 -0.093 0.000 0.627 452 A CB -0.934 17.995 19.000 -0.118 0.000 0.818 452 A HN 0.486 nan 8.150 nan 0.000 0.445 453 L N -1.100 120.001 121.223 -0.203 0.000 2.265 453 L HA -0.149 4.191 4.340 -0.000 0.000 0.215 453 L C 1.797 178.634 176.870 -0.055 0.000 1.117 453 L CA 0.507 55.271 54.840 -0.126 0.000 0.782 453 L CB -0.335 41.620 42.059 -0.174 0.000 0.914 453 L HN 0.542 nan 8.230 nan 0.000 0.441 454 c N 1.138 119.693 118.600 -0.074 0.000 2.694 454 c HA 0.186 4.756 4.570 -0.000 0.000 0.455 454 c C 1.625 175.697 174.090 -0.030 0.000 1.293 454 c CA -0.917 55.378 56.329 -0.057 0.000 1.614 454 c CB -2.310 40.157 42.510 -0.072 0.000 2.015 454 c HN 0.453 nan 8.230 nan 0.000 0.608 455 S N 0.942 116.639 115.700 -0.006 0.000 2.624 455 S HA 0.495 4.965 4.470 -0.000 0.000 0.263 455 S C 1.412 175.984 174.600 -0.046 0.000 1.287 455 S CA 0.151 58.349 58.200 -0.003 0.000 0.990 455 S CB 1.169 64.395 63.200 0.042 0.000 0.950 455 S HN 0.797 nan 8.310 nan 0.000 0.561 456 A N 0.636 123.417 122.820 -0.064 0.000 1.978 456 A HA -0.048 4.272 4.320 -0.000 0.000 0.220 456 A C 2.031 179.522 177.584 -0.155 0.000 1.170 456 A CA 1.530 53.505 52.037 -0.104 0.000 0.636 456 A CB -0.985 17.950 19.000 -0.108 0.000 0.810 456 A HN 0.841 nan 8.150 nan 0.000 0.448 457 L N -0.283 120.833 121.223 -0.177 0.000 2.027 457 L HA -0.104 4.236 4.340 -0.000 0.000 0.206 457 L C 2.357 178.978 176.870 -0.415 0.000 1.074 457 L CA 2.575 57.210 54.840 -0.341 0.000 0.745 457 L CB -0.568 41.264 42.059 -0.377 0.000 0.898 457 L HN 0.562 nan 8.230 nan 0.000 0.433 458 E N 0.192 120.296 120.200 -0.160 0.000 2.001 458 E HA -0.283 4.067 4.350 -0.000 0.000 0.195 458 E C 2.250 178.784 176.600 -0.110 0.000 1.002 458 E CA 2.227 58.658 56.400 0.051 0.000 0.819 458 E CB -0.788 28.975 29.700 0.105 0.000 0.769 458 E HN 0.466 nan 8.360 nan 0.000 0.454 459 I N 0.008 120.486 120.570 -0.154 0.000 2.300 459 I HA -0.240 3.930 4.170 -0.000 0.000 0.252 459 I C 1.973 177.908 176.117 -0.303 0.000 1.119 459 I CA 1.911 63.049 61.300 -0.270 0.000 1.384 459 I CB -0.486 37.415 38.000 -0.165 0.000 1.062 459 I HN 0.339 nan 8.210 nan 0.000 0.426 460 G N -0.089 108.571 108.800 -0.232 0.000 2.404 460 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.214 460 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.214 460 G C 1.470 176.243 174.900 -0.212 0.000 1.189 460 G CA 0.340 45.310 45.100 -0.217 0.000 0.789 460 G HN 0.317 nan 8.290 nan 0.000 0.533 461 E N 0.449 120.518 120.200 -0.219 0.000 2.110 461 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 461 E C 2.864 179.396 176.600 -0.113 0.000 0.988 461 E CA 0.529 56.844 56.400 -0.141 0.000 0.804 461 E CB -0.537 29.114 29.700 -0.082 0.000 0.745 461 E HN 0.265 nan 8.360 nan 0.000 0.458 462 V N 1.136 120.947 119.914 -0.171 0.000 2.332 462 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 462 V C 2.415 178.368 176.094 -0.234 0.000 1.055 462 V CA 1.342 63.505 62.300 -0.228 0.000 1.038 462 V CB -0.446 31.125 31.823 -0.420 0.000 0.651 462 V HN 0.160 nan 8.190 nan 0.000 0.450 463 L N -0.259 120.791 121.223 -0.289 0.000 1.994 463 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 463 L C 2.556 179.360 176.870 -0.110 0.000 1.071 463 L CA 2.106 56.823 54.840 -0.205 0.000 0.745 463 L CB -1.074 40.864 42.059 -0.202 0.000 0.892 463 L HN 0.312 nan 8.230 nan 0.000 0.431 464 R N -0.046 120.392 120.500 -0.103 0.000 2.115 464 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 464 R C 2.209 178.490 176.300 -0.031 0.000 1.133 464 R CA 2.041 58.104 56.100 -0.061 0.000 0.935 464 R CB -1.319 28.945 30.300 -0.061 0.000 0.853 464 R HN 0.370 nan 8.270 nan 0.000 0.433 465 G N 0.336 109.119 108.800 -0.028 0.000 2.440 465 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 465 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 465 G C 1.537 176.447 174.900 0.017 0.000 1.154 465 G CA 1.016 46.123 45.100 0.011 0.000 0.767 465 G HN 0.319 nan 8.290 nan 0.000 0.552 466 L N 0.609 121.830 121.223 -0.004 0.000 2.012 466 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 466 L C 3.447 180.326 176.870 0.016 0.000 1.073 466 L CA 1.246 56.095 54.840 0.015 0.000 0.748 466 L CB -0.430 41.636 42.059 0.013 0.000 0.891 466 L HN 0.329 nan 8.230 nan 0.000 0.431 467 A N -0.165 122.655 122.820 0.000 0.000 1.877 467 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 467 A C 2.115 179.704 177.584 0.010 0.000 1.186 467 A CA 1.385 53.423 52.037 0.003 0.000 0.620 467 A CB -0.709 18.285 19.000 -0.009 0.000 0.822 467 A HN 0.393 nan 8.150 nan 0.000 0.443 468 L N -0.801 120.428 121.223 0.011 0.000 2.610 468 L HA 0.114 4.454 4.340 -0.000 0.000 0.232 468 L C 1.660 178.547 176.870 0.028 0.000 1.149 468 L CA 0.477 55.328 54.840 0.018 0.000 0.872 468 L CB -0.412 41.658 42.059 0.019 0.000 0.992 468 L HN 0.626 nan 8.230 nan 0.000 0.447 469 G N 0.247 109.066 108.800 0.033 0.000 2.179 469 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.257 469 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.257 469 G C 0.953 175.886 174.900 0.055 0.000 1.010 469 G CA 0.776 45.900 45.100 0.040 0.000 0.736 469 G HN 0.433 nan 8.290 nan 0.000 0.513 470 T N -3.073 111.526 114.554 0.075 0.000 3.009 470 T HA 0.314 4.664 4.350 -0.000 0.000 0.258 470 T C 0.838 175.660 174.700 0.203 0.000 1.063 470 T CA 1.357 63.527 62.100 0.117 0.000 1.139 470 T CB 0.411 69.370 68.868 0.152 0.000 0.890 470 T HN 0.429 nan 8.240 nan 0.000 0.471 471 E N 1.676 121.973 120.200 0.162 0.000 2.166 471 E HA 0.468 4.818 4.350 -0.000 0.000 0.275 471 E C 1.088 177.744 176.600 0.093 0.000 0.941 471 E CA -0.220 56.265 56.400 0.141 0.000 0.784 471 E CB 1.823 31.538 29.700 0.026 0.000 1.115 471 E HN 0.238 nan 8.360 nan 0.000 0.399 472 S N 3.116 118.871 115.700 0.092 0.000 2.406 472 S HA 0.106 4.576 4.470 -0.000 0.000 0.228 472 S C 1.511 176.153 174.600 0.071 0.000 1.020 472 S CA 0.410 58.647 58.200 0.062 0.000 0.965 472 S CB -0.386 62.838 63.200 0.039 0.000 0.798 472 S HN 1.188 nan 8.310 nan 0.000 0.488 473 G N 0.810 109.661 108.800 0.085 0.000 2.132 473 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.228 473 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.228 473 G C 0.359 175.373 174.900 0.190 0.000 1.000 473 G CA 0.312 45.506 45.100 0.157 0.000 0.693 473 G HN 0.602 nan 8.290 nan 0.000 0.515 474 L N -0.638 120.636 121.223 0.086 0.000 2.093 474 L HA 0.567 4.907 4.340 -0.000 0.000 0.208 474 L C 0.928 177.908 176.870 0.184 0.000 1.085 474 L CA 2.142 56.993 54.840 0.019 0.000 0.755 474 L CB -0.170 41.762 42.059 -0.211 0.000 0.904 474 L HN 0.601 nan 8.230 nan 0.000 0.435 475 F N -1.044 118.910 119.950 0.007 0.000 2.613 475 F HA 0.598 5.125 4.527 -0.000 0.000 0.310 475 F C -0.684 175.065 175.800 -0.084 0.000 1.085 475 F CA -0.328 57.744 58.000 0.121 0.000 0.945 475 F CB 1.557 40.564 39.000 0.011 0.000 1.298 475 F HN -0.206 nan 8.300 nan 0.000 0.455 476 S N 4.638 119.329 115.700 -1.681 0.000 2.560 476 S HA 0.379 4.849 4.470 -0.000 0.000 0.283 476 S C -2.550 171.206 174.600 -1.407 0.000 1.141 476 S CA -1.012 56.334 58.200 -1.424 0.000 0.902 476 S CB 1.912 64.523 63.200 -0.982 0.000 1.104 476 S HN 0.489 nan 8.310 nan 0.000 0.454 477 P HA 0.015 nan 4.420 nan 0.000 0.226 477 P C 1.257 178.399 177.300 -0.264 0.000 1.146 477 P CA 0.778 63.653 63.100 -0.375 0.000 0.773 477 P CB -0.409 31.179 31.700 -0.187 0.000 0.772 478 c N -1.757 116.635 118.600 -0.347 0.000 2.457 478 c HA -0.079 4.491 4.570 -0.000 0.000 0.278 478 c C 2.486 176.518 174.090 -0.096 0.000 1.309 478 c CA 0.290 56.504 56.329 -0.192 0.000 1.735 478 c CB -2.141 40.309 42.510 -0.100 0.000 1.992 478 c HN 0.179 nan 8.230 nan 0.000 0.493 479 Y N 0.970 121.174 120.300 -0.160 0.000 2.446 479 Y HA -0.073 4.477 4.550 -0.000 0.000 0.287 479 Y C 1.790 177.659 175.900 -0.052 0.000 1.159 479 Y CA 1.045 59.069 58.100 -0.126 0.000 1.297 479 Y CB -0.736 37.653 38.460 -0.118 0.000 0.974 479 Y HN 0.305 nan 8.280 nan 0.000 0.557 480 L N -1.898 119.392 121.223 0.111 0.000 3.039 480 L HA 0.186 4.526 4.340 -0.000 0.000 0.269 480 L C 1.016 177.924 176.870 0.064 0.000 1.169 480 L CA -0.007 54.897 54.840 0.107 0.000 0.986 480 L CB -0.122 42.032 42.059 0.159 0.000 1.377 480 L HN -0.090 nan 8.230 nan 0.000 0.575 481 S N 0.132 115.826 115.700 -0.010 0.000 2.589 481 S HA 0.265 4.735 4.470 -0.000 0.000 0.265 481 S C 0.578 175.053 174.600 -0.209 0.000 1.342 481 S CA -0.270 57.879 58.200 -0.086 0.000 1.005 481 S CB 0.490 63.615 63.200 -0.126 0.000 0.909 481 S HN 0.217 nan 8.310 nan 0.000 0.555 482 L N 0.839 121.897 121.223 -0.274 0.000 2.978 482 L HA 0.337 4.677 4.340 -0.000 0.000 0.239 482 L C 1.053 177.368 176.870 -0.925 0.000 1.293 482 L CA -0.146 54.363 54.840 -0.553 0.000 1.085 482 L CB -0.265 41.742 42.059 -0.087 0.000 1.432 482 L HN 0.570 nan 8.230 nan 0.000 0.512 483 R N 0.989 121.029 120.500 -0.765 0.000 2.369 483 R HA 0.208 4.548 4.340 -0.000 0.000 0.310 483 R C -0.502 175.515 176.300 -0.471 0.000 1.141 483 R CA -0.421 55.393 56.100 -0.478 0.000 1.116 483 R CB 0.232 30.408 30.300 -0.207 0.000 1.135 483 R HN 0.104 nan 8.270 nan 0.000 0.529 484 F N 1.191 121.176 119.950 0.060 0.000 2.713 484 F HA 0.133 4.660 4.527 -0.000 0.000 0.294 484 F C 1.421 177.250 175.800 0.049 0.000 1.152 484 F CA -0.484 57.549 58.000 0.055 0.000 1.385 484 F CB 0.198 39.236 39.000 0.063 0.000 0.981 484 F HN 0.418 nan 8.300 nan 0.000 0.514 485 D N 0.896 121.370 120.400 0.122 0.000 2.240 485 D HA -0.033 4.607 4.640 -0.000 0.000 0.206 485 D C 0.712 177.060 176.300 0.080 0.000 0.963 485 D CA 0.478 54.536 54.000 0.096 0.000 0.863 485 D CB 0.125 40.960 40.800 0.058 0.000 0.973 485 D HN 0.120 nan 8.370 nan 0.000 0.501 486 L N 1.607 122.875 121.223 0.076 0.000 2.530 486 L HA 0.357 4.697 4.340 -0.000 0.000 0.273 486 L C 0.587 177.512 176.870 0.091 0.000 1.141 486 L CA -0.234 54.656 54.840 0.084 0.000 0.905 486 L CB -0.379 41.749 42.059 0.115 0.000 1.202 486 L HN 0.019 nan 8.230 nan 0.000 0.473 487 T N -0.441 114.157 114.554 0.074 0.000 2.841 487 T HA 0.532 4.882 4.350 -0.000 0.000 0.276 487 T C 1.051 175.788 174.700 0.061 0.000 1.003 487 T CA -0.661 61.478 62.100 0.066 0.000 0.995 487 T CB 1.350 70.250 68.868 0.053 0.000 1.260 487 T HN 0.480 nan 8.240 nan 0.000 0.581 488 R N 0.808 121.338 120.500 0.050 0.000 2.112 488 R HA -0.134 4.206 4.340 -0.000 0.000 0.242 488 R C 1.724 178.045 176.300 0.034 0.000 1.137 488 R CA 2.452 58.578 56.100 0.044 0.000 0.944 488 R CB -1.321 28.998 30.300 0.032 0.000 0.857 488 R HN 0.777 nan 8.270 nan 0.000 0.435 489 D N -0.433 119.983 120.400 0.027 0.000 2.110 489 D HA -0.131 4.509 4.640 -0.000 0.000 0.202 489 D C 1.691 177.999 176.300 0.012 0.000 0.975 489 D CA 1.171 55.180 54.000 0.016 0.000 0.839 489 D CB -0.244 40.564 40.800 0.013 0.000 0.996 489 D HN 0.086 nan 8.370 nan 0.000 0.464 490 K N 1.513 121.924 120.400 0.019 0.000 2.074 490 K HA -0.128 4.192 4.320 -0.000 0.000 0.209 490 K C 2.219 178.825 176.600 0.011 0.000 1.048 490 K CA 0.906 57.201 56.287 0.014 0.000 0.926 490 K CB -0.708 31.809 32.500 0.027 0.000 0.713 490 K HN 0.077 nan 8.250 nan 0.000 0.444 491 L N 0.037 121.279 121.223 0.031 0.000 2.083 491 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 491 L C 2.375 179.243 176.870 -0.005 0.000 1.083 491 L CA 0.993 55.852 54.840 0.031 0.000 0.752 491 L CB -0.265 41.848 42.059 0.090 0.000 0.899 491 L HN 0.223 nan 8.230 nan 0.000 0.433 492 L N -1.206 120.017 121.223 0.000 0.000 2.265 492 L HA -0.196 4.144 4.340 -0.000 0.000 0.215 492 L C 2.447 179.298 176.870 -0.031 0.000 1.117 492 L CA 0.758 55.590 54.840 -0.014 0.000 0.782 492 L CB -0.046 42.009 42.059 -0.006 0.000 0.914 492 L HN 0.261 nan 8.230 nan 0.000 0.441 493 S N -0.657 115.023 115.700 -0.033 0.000 2.357 493 S HA -0.148 4.322 4.470 -0.000 0.000 0.221 493 S C 1.749 176.310 174.600 -0.065 0.000 1.031 493 S CA 1.144 59.315 58.200 -0.049 0.000 0.982 493 S CB -0.129 63.043 63.200 -0.047 0.000 0.853 493 S HN 0.270 nan 8.310 nan 0.000 0.458 494 M N 1.751 121.310 119.600 -0.068 0.000 2.374 494 M HA 0.166 4.646 4.480 -0.000 0.000 0.264 494 M C 0.913 177.151 176.300 -0.103 0.000 1.067 494 M CA 0.150 55.395 55.300 -0.092 0.000 1.103 494 M CB -0.760 31.780 32.600 -0.098 0.000 1.402 494 M HN 0.226 nan 8.290 nan 0.000 0.444 495 A N 2.120 124.887 122.820 -0.089 0.000 2.561 495 A HA 0.199 4.519 4.320 -0.000 0.000 0.234 495 A C -2.028 175.507 177.584 -0.083 0.000 1.055 495 A CA -0.937 51.047 52.037 -0.088 0.000 0.756 495 A CB -1.018 17.944 19.000 -0.064 0.000 0.986 495 A HN 0.220 nan 8.150 nan 0.000 0.505 496 P HA 0.073 nan 4.420 nan 0.000 0.271 496 P C -1.014 176.251 177.300 -0.058 0.000 1.220 496 P CA 0.107 63.162 63.100 -0.075 0.000 0.768 496 P CB 0.663 32.318 31.700 -0.074 0.000 0.848 497 Q N 3.005 122.772 119.800 -0.056 0.000 2.503 497 Q HA 0.309 4.649 4.340 -0.000 0.000 0.227 497 Q C -0.277 175.700 176.000 -0.039 0.000 1.109 497 Q CA 0.193 55.969 55.803 -0.046 0.000 0.922 497 Q CB 0.958 29.667 28.738 -0.047 0.000 1.249 497 Q HN 0.539 nan 8.270 nan 0.000 0.530 498 E N 0.036 120.216 120.200 -0.033 0.000 2.352 498 E HA 0.411 4.761 4.350 -0.000 0.000 0.280 498 E C -0.371 176.217 176.600 -0.021 0.000 0.930 498 E CA -0.437 55.947 56.400 -0.026 0.000 0.765 498 E CB 1.568 31.252 29.700 -0.027 0.000 1.219 498 E HN 0.476 nan 8.360 nan 0.000 0.434 499 A N 1.170 123.980 122.820 -0.017 0.000 2.206 499 A HA -0.035 4.285 4.320 -0.000 0.000 0.211 499 A C 1.488 179.066 177.584 -0.010 0.000 1.158 499 A CA 0.979 53.008 52.037 -0.013 0.000 0.761 499 A CB -0.308 18.686 19.000 -0.011 0.000 0.801 499 A HN 0.544 nan 8.150 nan 0.000 0.473 500 T N -0.222 114.326 114.554 -0.011 0.000 3.118 500 T HA 0.247 4.597 4.350 -0.000 0.000 0.260 500 T C -0.036 174.659 174.700 -0.008 0.000 1.139 500 T CA 0.482 62.577 62.100 -0.008 0.000 1.085 500 T CB -0.293 68.569 68.868 -0.008 0.000 0.934 500 T HN 0.155 nan 8.240 nan 0.000 0.518 501 L N 1.635 122.852 121.223 -0.011 0.000 2.333 501 L HA 0.420 4.760 4.340 -0.000 0.000 0.280 501 L C -0.257 176.608 176.870 -0.009 0.000 1.004 501 L CA -0.967 53.867 54.840 -0.011 0.000 0.820 501 L CB 1.459 43.508 42.059 -0.017 0.000 1.247 501 L HN -0.119 nan 8.230 nan 0.000 0.416 502 D N 2.141 122.538 120.400 -0.005 0.000 2.402 502 D HA -0.031 4.609 4.640 -0.000 0.000 0.268 502 D C 1.111 177.407 176.300 -0.005 0.000 1.294 502 D CA 0.335 54.332 54.000 -0.004 0.000 0.945 502 D CB 0.871 41.671 40.800 -0.000 0.000 1.112 502 D HN 0.390 nan 8.370 nan 0.000 0.517 503 Q N 3.089 122.885 119.800 -0.007 0.000 2.217 503 Q HA -0.267 4.073 4.340 -0.000 0.000 0.209 503 Q C 1.732 177.729 176.000 -0.005 0.000 0.988 503 Q CA 1.644 57.442 55.803 -0.008 0.000 0.878 503 Q CB -0.267 28.466 28.738 -0.008 0.000 0.909 503 Q HN 0.696 nan 8.270 nan 0.000 0.424 504 A N 0.707 123.526 122.820 -0.002 0.000 1.872 504 A HA 0.016 4.336 4.320 -0.000 0.000 0.214 504 A C 2.356 179.942 177.584 0.003 0.000 1.187 504 A CA 1.594 53.632 52.037 0.001 0.000 0.614 504 A CB -0.659 18.342 19.000 0.002 0.000 0.826 504 A HN 0.368 nan 8.150 nan 0.000 0.442 505 A N -0.296 122.526 122.820 0.002 0.000 1.908 505 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 505 A C 2.216 179.801 177.584 0.003 0.000 1.181 505 A CA 1.916 53.956 52.037 0.005 0.000 0.627 505 A CB -1.050 17.953 19.000 0.004 0.000 0.818 505 A HN 0.424 nan 8.150 nan 0.000 0.445 506 V N -0.406 119.506 119.914 -0.003 0.000 2.287 506 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 506 V C 2.773 178.866 176.094 -0.001 0.000 1.053 506 V CA 2.383 64.678 62.300 -0.008 0.000 1.027 506 V CB -1.085 30.728 31.823 -0.016 0.000 0.646 506 V HN 0.663 nan 8.190 nan 0.000 0.447 507 S N 0.369 116.070 115.700 0.002 0.000 2.365 507 S HA -0.269 4.201 4.470 -0.000 0.000 0.225 507 S C 1.955 176.566 174.600 0.019 0.000 1.039 507 S CA 2.079 60.284 58.200 0.009 0.000 1.033 507 S CB -0.543 62.661 63.200 0.007 0.000 0.887 507 S HN 0.695 nan 8.310 nan 0.000 0.447 508 N N 1.748 120.459 118.700 0.018 0.000 2.104 508 N HA -0.090 4.650 4.740 -0.000 0.000 0.190 508 N C 1.959 177.492 175.510 0.038 0.000 1.024 508 N CA 1.391 54.456 53.050 0.025 0.000 0.853 508 N CB -0.899 37.600 38.487 0.020 0.000 1.008 508 N HN 0.530 nan 8.380 nan 0.000 0.424 509 A N 1.237 124.076 122.820 0.033 0.000 1.865 509 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 509 A C 2.587 180.217 177.584 0.076 0.000 1.191 509 A CA 1.723 53.787 52.037 0.044 0.000 0.623 509 A CB -0.931 18.074 19.000 0.009 0.000 0.826 509 A HN 0.112 nan 8.150 nan 0.000 0.444 510 V N 0.708 120.653 119.914 0.052 0.000 2.332 510 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 510 V C 2.198 178.363 176.094 0.118 0.000 1.055 510 V CA 2.315 64.663 62.300 0.080 0.000 1.038 510 V CB -0.900 30.948 31.823 0.042 0.000 0.651 510 V HN 0.522 nan 8.190 nan 0.000 0.450 511 D N 0.557 121.004 120.400 0.078 0.000 2.097 511 D HA -0.113 4.527 4.640 -0.000 0.000 0.195 511 D C 2.220 178.566 176.300 0.076 0.000 0.989 511 D CA 1.766 55.805 54.000 0.065 0.000 0.827 511 D CB -0.357 40.467 40.800 0.040 0.000 0.966 511 D HN 0.495 nan 8.370 nan 0.000 0.456 512 G N 0.546 109.399 108.800 0.088 0.000 2.459 512 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 512 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 512 G C 1.495 176.475 174.900 0.133 0.000 1.183 512 G CA 0.347 45.501 45.100 0.089 0.000 0.776 512 G HN 0.185 nan 8.290 nan 0.000 0.552 513 F N 1.004 120.973 119.950 0.033 0.000 2.069 513 F HA -0.079 4.448 4.527 -0.000 0.000 0.298 513 F C 2.411 178.250 175.800 0.066 0.000 1.113 513 F CA 1.521 59.560 58.000 0.064 0.000 1.214 513 F CB -0.572 38.455 39.000 0.046 0.000 0.978 513 F HN 0.108 nan 8.300 nan 0.000 0.474 514 L N 0.450 121.737 121.223 0.108 0.000 2.081 514 L HA -0.084 4.256 4.340 -0.000 0.000 0.212 514 L C 2.396 179.230 176.870 -0.060 0.000 1.080 514 L CA 2.187 57.030 54.840 0.006 0.000 0.754 514 L CB -1.447 40.650 42.059 0.065 0.000 0.893 514 L HN 0.236 nan 8.230 nan 0.000 0.433 515 G N -1.062 107.715 108.800 -0.040 0.000 2.434 515 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.214 515 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.214 515 G C 1.751 176.577 174.900 -0.124 0.000 1.202 515 G CA 0.661 45.724 45.100 -0.061 0.000 0.788 515 G HN 0.408 nan 8.290 nan 0.000 0.539 516 R N -0.161 120.242 120.500 -0.162 0.000 2.193 516 R HA 0.141 4.481 4.340 -0.000 0.000 0.229 516 R C 2.405 178.462 176.300 -0.404 0.000 1.110 516 R CA 0.726 56.662 56.100 -0.273 0.000 0.988 516 R CB -0.298 29.836 30.300 -0.277 0.000 0.871 516 R HN 0.415 nan 8.270 nan 0.000 0.458 517 L N 0.278 121.292 121.223 -0.348 0.000 2.109 517 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 517 L C 2.093 178.868 176.870 -0.158 0.000 1.086 517 L CA 1.589 56.258 54.840 -0.285 0.000 0.760 517 L CB -0.155 41.719 42.059 -0.309 0.000 0.910 517 L HN 0.339 nan 8.230 nan 0.000 0.437 518 S N -1.264 114.363 115.700 -0.123 0.000 2.522 518 S HA -0.023 4.447 4.470 -0.000 0.000 0.227 518 S C 1.654 176.205 174.600 -0.083 0.000 0.986 518 S CA 0.342 58.503 58.200 -0.066 0.000 0.929 518 S CB -0.113 63.061 63.200 -0.044 0.000 0.769 518 S HN 0.434 nan 8.310 nan 0.000 0.529 519 L N -0.027 121.116 121.223 -0.133 0.000 2.362 519 L HA 0.314 4.654 4.340 -0.000 0.000 0.204 519 L C 2.790 179.571 176.870 -0.149 0.000 1.060 519 L CA 0.793 55.554 54.840 -0.132 0.000 0.827 519 L CB -0.333 41.639 42.059 -0.146 0.000 1.027 519 L HN 0.256 nan 8.230 nan 0.000 0.474 520 E N 0.842 120.907 120.200 -0.226 0.000 2.106 520 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 520 E C 1.053 177.583 176.600 -0.116 0.000 0.984 520 E CA 0.737 57.002 56.400 -0.225 0.000 0.806 520 E CB 0.247 29.662 29.700 -0.475 0.000 0.750 520 E HN 0.088 nan 8.360 nan 0.000 0.458 521 R N 0.454 120.904 120.500 -0.084 0.000 2.346 521 R HA 0.307 4.647 4.340 -0.000 0.000 0.311 521 R C -0.694 175.609 176.300 0.004 0.000 0.983 521 R CA -0.323 55.778 56.100 0.001 0.000 0.880 521 R CB 0.958 31.298 30.300 0.066 0.000 1.100 521 R HN -0.034 nan 8.270 nan 0.000 0.453 522 E N 1.379 121.582 120.200 0.005 0.000 2.264 522 E HA 0.134 4.484 4.350 -0.000 0.000 0.260 522 E C -0.430 176.176 176.600 0.010 0.000 0.961 522 E CA -0.550 55.837 56.400 -0.022 0.000 0.834 522 E CB 1.755 31.405 29.700 -0.083 0.000 1.230 522 E HN 0.614 nan 8.360 nan 0.000 0.412 523 D N -0.107 120.288 120.400 -0.008 0.000 2.162 523 D HA -0.054 4.586 4.640 -0.000 0.000 0.203 523 D C 1.612 177.937 176.300 0.041 0.000 0.967 523 D CA 0.555 54.592 54.000 0.062 0.000 0.840 523 D CB 0.195 41.069 40.800 0.124 0.000 0.972 523 D HN 0.241 nan 8.370 nan 0.000 0.482 524 R N 0.871 121.210 120.500 -0.269 0.000 2.170 524 R HA -0.177 4.163 4.340 -0.000 0.000 0.242 524 R C 0.673 176.718 176.300 -0.425 0.000 1.145 524 R CA 1.370 56.989 56.100 -0.801 0.000 0.984 524 R CB -0.083 29.796 30.300 -0.702 0.000 0.869 524 R HN 0.162 nan 8.270 nan 0.000 0.455 525 D N 0.890 121.197 120.400 -0.155 0.000 2.088 525 D HA -0.178 4.462 4.640 -0.000 0.000 0.191 525 D C 1.494 177.795 176.300 0.002 0.000 0.992 525 D CA 1.868 55.834 54.000 -0.056 0.000 0.831 525 D CB -0.524 40.299 40.800 0.037 0.000 0.973 525 D HN 0.351 nan 8.370 nan 0.000 0.447 526 A N -0.188 122.668 122.820 0.059 0.000 2.276 526 A HA -0.092 4.228 4.320 -0.000 0.000 0.205 526 A C 1.088 178.530 177.584 -0.236 0.000 1.234 526 A CA 0.215 52.257 52.037 0.009 0.000 0.797 526 A CB -1.117 17.944 19.000 0.102 0.000 0.769 526 A HN 0.245 nan 8.150 nan 0.000 0.491 527 W N -1.193 119.791 121.300 -0.527 0.000 2.678 527 W HA 0.066 4.726 4.660 -0.000 0.000 0.256 527 W C 1.483 177.854 176.519 -0.248 0.000 1.280 527 W CA 0.625 57.657 57.345 -0.520 0.000 1.345 527 W CB -0.192 28.987 29.460 -0.468 0.000 1.118 527 W HN 0.470 nan 8.180 nan 0.000 0.629 528 H N -0.476 118.651 119.070 0.095 0.000 2.533 528 H HA 0.272 4.828 4.556 -0.000 0.000 0.271 528 H C 0.128 175.494 175.328 0.063 0.000 1.000 528 H CA 0.357 56.448 56.048 0.073 0.000 1.149 528 H CB -0.367 29.429 29.762 0.057 0.000 1.375 528 H HN -0.062 nan 8.280 nan 0.000 0.582 529 L N 1.396 122.716 121.223 0.162 0.000 2.282 529 L HA 0.205 4.545 4.340 -0.000 0.000 0.288 529 L C -1.234 175.717 176.870 0.136 0.000 1.033 529 L CA -1.843 53.086 54.840 0.148 0.000 0.807 529 L CB 1.910 44.070 42.059 0.170 0.000 1.209 529 L HN -0.111 nan 8.230 nan 0.000 0.423 530 P HA -0.196 nan 4.420 nan 0.000 0.215 530 P C 1.320 178.663 177.300 0.072 0.000 1.157 530 P CA 1.287 64.435 63.100 0.080 0.000 0.874 530 P CB 0.333 32.069 31.700 0.061 0.000 0.790 531 A N -2.009 120.856 122.820 0.075 0.000 2.121 531 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 531 A C 2.113 179.724 177.584 0.045 0.000 1.154 531 A CA 0.888 52.952 52.037 0.045 0.000 0.679 531 A CB -1.772 17.251 19.000 0.038 0.000 0.795 531 A HN 0.136 nan 8.150 nan 0.000 0.458 532 Y N 1.460 121.738 120.300 -0.037 0.000 2.139 532 Y HA -0.309 4.241 4.550 -0.000 0.000 0.282 532 Y C 1.935 177.755 175.900 -0.134 0.000 1.179 532 Y CA 2.445 60.493 58.100 -0.087 0.000 1.161 532 Y CB -0.243 38.142 38.460 -0.125 0.000 0.970 532 Y HN 0.364 nan 8.280 nan 0.000 0.511 533 K N -1.151 119.240 120.400 -0.015 0.000 2.520 533 K HA -0.124 4.196 4.320 -0.000 0.000 0.197 533 K C 1.327 177.842 176.600 -0.142 0.000 1.043 533 K CA 0.931 57.161 56.287 -0.095 0.000 0.944 533 K CB -0.452 32.023 32.500 -0.041 0.000 0.770 533 K HN 0.321 nan 8.250 nan 0.000 0.480 534 c N 0.601 119.112 118.600 -0.149 0.000 2.855 534 c HA 0.191 4.761 4.570 -0.000 0.000 0.279 534 c C 0.412 174.404 174.090 -0.164 0.000 1.270 534 c CA -0.725 55.526 56.329 -0.131 0.000 1.702 534 c CB -0.575 41.881 42.510 -0.089 0.000 1.949 534 c HN 0.016 nan 8.230 nan 0.000 0.618 535 V N 2.019 121.783 119.914 -0.250 0.000 2.328 535 V HA 0.239 4.359 4.120 -0.000 0.000 0.278 535 V C 0.225 176.182 176.094 -0.228 0.000 1.021 535 V CA -0.020 62.137 62.300 -0.238 0.000 0.838 535 V CB 1.071 32.716 31.823 -0.297 0.000 0.999 535 V HN 0.242 nan 8.190 nan 0.000 0.447 536 D N 3.112 123.418 120.400 -0.157 0.000 2.087 536 D HA -0.027 4.613 4.640 -0.000 0.000 0.203 536 D C 1.187 177.414 176.300 -0.121 0.000 0.976 536 D CA 1.296 55.219 54.000 -0.129 0.000 0.865 536 D CB 0.107 40.848 40.800 -0.098 0.000 1.005 536 D HN 0.408 nan 8.370 nan 0.000 0.449 537 R N 1.940 122.383 120.500 -0.095 0.000 3.268 537 R HA 0.143 4.483 4.340 -0.000 0.000 0.217 537 R C 1.291 177.539 176.300 -0.087 0.000 1.568 537 R CA -0.093 55.962 56.100 -0.075 0.000 1.322 537 R CB -0.192 30.081 30.300 -0.045 0.000 1.280 537 R HN 0.323 nan 8.270 nan 0.000 0.667 538 L N -0.641 120.505 121.223 -0.129 0.000 2.362 538 L HA -0.065 4.275 4.340 -0.000 0.000 0.219 538 L C 1.421 178.226 176.870 -0.108 0.000 1.134 538 L CA 1.127 55.871 54.840 -0.160 0.000 0.807 538 L CB -0.292 41.612 42.059 -0.258 0.000 0.927 538 L HN 0.293 nan 8.230 nan 0.000 0.447 539 D N 0.722 121.081 120.400 -0.069 0.000 2.269 539 D HA -0.189 4.451 4.640 -0.000 0.000 0.208 539 D C 1.010 177.303 176.300 -0.011 0.000 0.963 539 D CA 0.853 54.829 54.000 -0.040 0.000 0.864 539 D CB -0.196 40.590 40.800 -0.023 0.000 0.936 539 D HN 0.530 nan 8.370 nan 0.000 0.505 540 K N 0.983 121.381 120.400 -0.004 0.000 2.577 540 K HA 0.232 4.552 4.320 -0.000 0.000 0.210 540 K C -0.284 176.346 176.600 0.049 0.000 1.048 540 K CA -0.204 56.100 56.287 0.029 0.000 1.188 540 K CB 1.546 34.068 32.500 0.036 0.000 0.910 540 K HN 0.004 nan 8.250 nan 0.000 0.483 541 V N 2.415 122.353 119.914 0.039 0.000 2.364 541 V HA 0.107 4.227 4.120 -0.000 0.000 0.272 541 V C 1.441 177.636 176.094 0.168 0.000 1.036 541 V CA -0.214 62.137 62.300 0.084 0.000 0.880 541 V CB 1.102 32.947 31.823 0.037 0.000 0.991 541 V HN 0.291 nan 8.190 nan 0.000 0.460 542 L N 4.508 125.833 121.223 0.170 0.000 2.034 542 L HA 0.199 4.539 4.340 -0.000 0.000 0.203 542 L C 0.763 177.779 176.870 0.243 0.000 1.074 542 L CA 1.374 56.320 54.840 0.177 0.000 0.748 542 L CB -0.075 42.047 42.059 0.105 0.000 0.905 542 L HN 0.736 nan 8.230 nan 0.000 0.439 543 M N -0.146 119.589 119.600 0.226 0.000 2.449 543 M HA 0.438 4.918 4.480 -0.000 0.000 0.291 543 M C -1.755 174.667 176.300 0.204 0.000 1.148 543 M CA -0.724 54.690 55.300 0.190 0.000 0.925 543 M CB 2.365 34.988 32.600 0.038 0.000 1.767 543 M HN 0.026 nan 8.290 nan 0.000 0.503 544 I N 1.170 121.878 120.570 0.230 0.000 2.377 544 I HA 0.637 4.807 4.170 -0.000 0.000 0.293 544 I C -1.195 175.015 176.117 0.154 0.000 0.987 544 I CA -0.942 60.489 61.300 0.218 0.000 1.185 544 I CB 1.669 39.833 38.000 0.272 0.000 1.341 544 I HN 0.755 nan 8.210 nan 0.000 0.455 545 I N 6.430 127.105 120.570 0.175 0.000 2.388 545 I HA 0.365 4.535 4.170 -0.000 0.000 0.281 545 I C -2.434 173.768 176.117 0.141 0.000 1.046 545 I CA -1.886 59.499 61.300 0.141 0.000 1.187 545 I CB 1.129 39.229 38.000 0.166 0.000 1.351 545 I HN 0.299 nan 8.210 nan 0.000 0.472 546 P HA 0.156 nan 4.420 nan 0.000 0.269 546 P C -0.515 176.780 177.300 -0.009 0.000 1.252 546 P CA -0.063 63.065 63.100 0.048 0.000 0.780 546 P CB 0.644 32.369 31.700 0.041 0.000 0.829 547 L N 3.723 124.982 121.223 0.060 0.000 2.492 547 L HA 0.395 4.735 4.340 -0.000 0.000 0.263 547 L C 1.739 178.668 176.870 0.099 0.000 1.062 547 L CA -0.559 54.331 54.840 0.084 0.000 0.817 547 L CB 0.126 42.331 42.059 0.244 0.000 1.441 547 L HN 0.260 nan 8.230 nan 0.000 0.493 548 I N 0.107 120.782 120.570 0.174 0.000 2.094 548 I HA -0.204 3.966 4.170 -0.000 0.000 0.234 548 I C 1.298 177.489 176.117 0.124 0.000 1.063 548 I CA 1.254 62.651 61.300 0.163 0.000 1.328 548 I CB -0.234 37.892 38.000 0.211 0.000 1.058 548 I HN 0.609 nan 8.210 nan 0.000 0.400 549 N N 0.089 118.870 118.700 0.135 0.000 2.299 549 N HA 0.098 4.838 4.740 -0.000 0.000 0.187 549 N C -0.026 175.517 175.510 0.055 0.000 1.099 549 N CA 0.408 53.515 53.050 0.095 0.000 0.867 549 N CB 1.024 39.574 38.487 0.106 0.000 0.974 549 N HN 0.309 nan 8.380 nan 0.000 0.477 550 V N -3.004 116.939 119.914 0.049 0.000 3.112 550 V HA 0.749 4.869 4.120 -0.000 0.000 0.310 550 V C -0.943 175.130 176.094 -0.034 0.000 1.364 550 V CA -0.818 61.458 62.300 -0.040 0.000 1.058 550 V CB 1.608 33.339 31.823 -0.154 0.000 1.079 550 V HN 0.066 nan 8.190 nan 0.000 0.463 551 T N -1.279 113.196 114.554 -0.132 0.000 3.293 551 T HA 0.666 5.016 4.350 -0.000 0.000 0.320 551 T C -1.174 173.454 174.700 -0.119 0.000 0.995 551 T CA -0.047 62.031 62.100 -0.037 0.000 1.041 551 T CB 0.645 69.525 68.868 0.020 0.000 1.058 551 T HN 0.620 nan 8.240 nan 0.000 0.453 552 F N 2.257 122.249 119.950 0.069 0.000 2.384 552 F HA 0.607 5.134 4.527 -0.000 0.000 0.338 552 F C 0.631 176.480 175.800 0.082 0.000 1.103 552 F CA -1.095 56.952 58.000 0.078 0.000 1.157 552 F CB 1.037 40.083 39.000 0.077 0.000 1.167 552 F HN 0.482 nan 8.300 nan 0.000 0.529 553 I N 5.210 125.932 120.570 0.252 0.000 2.437 553 I HA 0.248 4.418 4.170 -0.000 0.000 0.279 553 I C -0.968 175.267 176.117 0.197 0.000 1.028 553 I CA -0.569 60.843 61.300 0.185 0.000 1.142 553 I CB 0.915 38.976 38.000 0.101 0.000 1.266 553 I HN 0.316 nan 8.210 nan 0.000 0.461 554 I N 6.173 126.856 120.570 0.190 0.000 2.352 554 I HA 0.274 4.444 4.170 -0.000 0.000 0.290 554 I C 0.578 176.783 176.117 0.147 0.000 1.036 554 I CA 0.662 62.058 61.300 0.160 0.000 1.336 554 I CB 0.962 39.032 38.000 0.115 0.000 1.407 554 I HN 0.620 nan 8.210 nan 0.000 0.497 555 S N 2.492 118.288 115.700 0.159 0.000 2.656 555 S HA 0.490 4.960 4.470 -0.000 0.000 0.273 555 S C 0.070 174.783 174.600 0.188 0.000 1.168 555 S CA -0.256 58.034 58.200 0.150 0.000 0.817 555 S CB 1.371 64.648 63.200 0.129 0.000 1.146 555 S HN 0.480 nan 8.310 nan 0.000 0.475 556 S N -0.146 115.649 115.700 0.158 0.000 2.583 556 S HA 0.316 4.786 4.470 -0.000 0.000 0.239 556 S C -0.336 174.452 174.600 0.313 0.000 0.966 556 S CA -0.300 57.995 58.200 0.158 0.000 0.973 556 S CB -0.947 62.291 63.200 0.064 0.000 0.794 556 S HN 0.855 nan 8.310 nan 0.000 0.463 557 D N 0.725 121.343 120.400 0.363 0.000 2.879 557 D HA 0.172 4.812 4.640 -0.000 0.000 0.236 557 D C 0.088 176.340 176.300 -0.080 0.000 1.171 557 D CA -0.853 53.260 54.000 0.187 0.000 0.868 557 D CB 1.276 42.109 40.800 0.056 0.000 1.598 557 D HN 0.301 nan 8.370 nan 0.000 0.497 558 R N 0.672 120.899 120.500 -0.455 0.000 2.555 558 R HA 0.170 4.510 4.340 -0.000 0.000 0.272 558 R C -0.002 176.103 176.300 -0.324 0.000 1.089 558 R CA -0.312 55.361 56.100 -0.710 0.000 1.126 558 R CB 0.071 29.775 30.300 -0.992 0.000 1.250 558 R HN 0.231 nan 8.270 nan 0.000 0.551 559 E N 0.893 120.978 120.200 -0.193 0.000 2.318 559 E HA 0.030 4.380 4.350 -0.000 0.000 0.193 559 E C 0.522 177.049 176.600 -0.121 0.000 0.998 559 E CA 0.224 56.544 56.400 -0.134 0.000 0.859 559 E CB 0.223 29.866 29.700 -0.096 0.000 0.812 559 E HN 0.133 nan 8.360 nan 0.000 0.492 560 V N 3.516 123.362 119.914 -0.114 0.000 2.644 560 V HA -0.127 3.993 4.120 -0.000 0.000 0.305 560 V C 1.103 177.138 176.094 -0.099 0.000 1.053 560 V CA 0.569 62.812 62.300 -0.096 0.000 1.186 560 V CB -0.063 31.723 31.823 -0.063 0.000 0.895 560 V HN 0.251 nan 8.190 nan 0.000 0.490 561 R N 3.549 123.994 120.500 -0.091 0.000 4.306 561 R HA 0.446 4.786 4.340 -0.000 0.000 0.266 561 R C 0.696 176.951 176.300 -0.074 0.000 1.624 561 R CA 0.026 56.076 56.100 -0.084 0.000 1.487 561 R CB 0.032 30.285 30.300 -0.078 0.000 1.441 561 R HN 0.695 nan 8.270 nan 0.000 0.750 562 G N 0.448 109.204 108.800 -0.073 0.000 2.935 562 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.157 562 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.157 562 G C 0.440 175.298 174.900 -0.068 0.000 1.712 562 G CA -0.260 44.798 45.100 -0.070 0.000 1.071 562 G HN 0.309 nan 8.290 nan 0.000 0.539 563 S N -0.689 114.969 115.700 -0.070 0.000 2.539 563 S HA 0.609 5.079 4.470 -0.000 0.000 0.226 563 S C 0.534 175.091 174.600 -0.071 0.000 1.054 563 S CA 0.491 58.654 58.200 -0.062 0.000 0.910 563 S CB 0.654 63.821 63.200 -0.056 0.000 0.818 563 S HN 0.996 nan 8.310 nan 0.000 0.490 564 A N 0.669 123.441 122.820 -0.080 0.000 2.602 564 A HA 0.783 5.103 4.320 -0.000 0.000 0.290 564 A C -2.232 175.270 177.584 -0.137 0.000 1.114 564 A CA -0.564 51.392 52.037 -0.135 0.000 0.683 564 A CB 1.018 19.905 19.000 -0.188 0.000 1.281 564 A HN 0.181 nan 8.150 nan 0.000 0.416 565 L N 0.544 121.642 121.223 -0.209 0.000 2.356 565 L HA 0.775 5.115 4.340 -0.000 0.000 0.277 565 L C -1.832 174.945 176.870 -0.155 0.000 0.996 565 L CA -0.247 54.514 54.840 -0.131 0.000 0.822 565 L CB 1.208 43.172 42.059 -0.157 0.000 1.256 565 L HN 0.632 nan 8.230 nan 0.000 0.413 566 Y N 2.705 123.095 120.300 0.150 0.000 2.468 566 Y HA 0.649 5.199 4.550 -0.000 0.000 0.342 566 Y C -0.282 175.764 175.900 0.243 0.000 1.021 566 Y CA -0.639 57.559 58.100 0.164 0.000 1.079 566 Y CB 1.965 40.512 38.460 0.144 0.000 1.226 566 Y HN 0.597 nan 8.280 nan 0.000 0.460 567 E N 1.694 122.106 120.200 0.354 0.000 2.278 567 E HA 0.719 5.069 4.350 -0.000 0.000 0.272 567 E C -1.431 175.192 176.600 0.038 0.000 0.890 567 E CA -0.826 55.670 56.400 0.159 0.000 0.770 567 E CB 1.305 31.112 29.700 0.177 0.000 1.212 567 E HN 0.784 nan 8.360 nan 0.000 0.415 568 A N 2.279 125.038 122.820 -0.101 0.000 2.386 568 A HA 0.224 4.544 4.320 -0.000 0.000 0.246 568 A C 1.069 178.615 177.584 -0.063 0.000 1.089 568 A CA 0.382 52.346 52.037 -0.120 0.000 0.790 568 A CB 0.460 19.217 19.000 -0.405 0.000 1.042 568 A HN 0.808 nan 8.150 nan 0.000 0.497 569 S N -0.011 115.690 115.700 0.002 0.000 2.453 569 S HA -0.030 4.440 4.470 -0.000 0.000 0.231 569 S C 1.075 175.718 174.600 0.071 0.000 1.005 569 S CA 1.053 59.270 58.200 0.029 0.000 0.949 569 S CB -0.646 62.568 63.200 0.024 0.000 0.774 569 S HN 0.933 nan 8.310 nan 0.000 0.510 570 T N 2.817 117.444 114.554 0.121 0.000 2.916 570 T HA 0.318 4.668 4.350 -0.000 0.000 0.303 570 T C 0.856 175.597 174.700 0.069 0.000 1.025 570 T CA 0.619 62.837 62.100 0.197 0.000 1.142 570 T CB 0.655 69.707 68.868 0.306 0.000 0.947 570 T HN 0.481 nan 8.240 nan 0.000 0.544 571 T N 2.025 116.628 114.554 0.083 0.000 3.144 571 T HA 0.182 4.532 4.350 -0.000 0.000 0.290 571 T C 1.183 175.868 174.700 -0.026 0.000 0.966 571 T CA -0.370 61.717 62.100 -0.022 0.000 0.907 571 T CB -0.463 68.363 68.868 -0.069 0.000 1.152 571 T HN 0.622 nan 8.240 nan 0.000 0.532 572 Y N 1.970 122.271 120.300 0.002 0.000 2.207 572 Y HA 0.132 4.682 4.550 -0.000 0.000 0.287 572 Y C 1.136 177.029 175.900 -0.013 0.000 1.156 572 Y CA 0.489 58.591 58.100 0.003 0.000 1.182 572 Y CB -0.524 37.947 38.460 0.018 0.000 0.979 572 Y HN 0.217 nan 8.280 nan 0.000 0.521 573 L N -0.855 120.446 121.223 0.131 0.000 2.473 573 L HA -0.057 4.283 4.340 -0.000 0.000 0.265 573 L C 1.685 178.565 176.870 0.016 0.000 1.243 573 L CA 0.550 55.422 54.840 0.054 0.000 0.822 573 L CB -0.022 42.044 42.059 0.012 0.000 1.101 573 L HN -0.081 nan 8.230 nan 0.000 0.507 574 S N -1.001 114.705 115.700 0.009 0.000 2.351 574 S HA -0.121 4.349 4.470 -0.000 0.000 0.220 574 S C 0.936 175.529 174.600 -0.012 0.000 1.035 574 S CA 1.528 59.729 58.200 0.001 0.000 1.031 574 S CB -0.172 63.032 63.200 0.007 0.000 0.928 574 S HN 0.676 nan 8.310 nan 0.000 0.433 575 S N 0.242 115.930 115.700 -0.019 0.000 2.618 575 S HA 0.563 5.033 4.470 -0.000 0.000 0.284 575 S C 0.212 174.753 174.600 -0.099 0.000 1.102 575 S CA -0.811 57.369 58.200 -0.033 0.000 0.984 575 S CB 1.086 64.284 63.200 -0.003 0.000 1.280 575 S HN 0.304 nan 8.310 nan 0.000 0.525 576 S N 0.547 116.137 115.700 -0.184 0.000 2.713 576 S HA 0.581 5.051 4.470 -0.000 0.000 0.283 576 S C -1.066 173.231 174.600 -0.504 0.000 1.161 576 S CA -0.520 57.429 58.200 -0.419 0.000 0.999 576 S CB 0.887 63.644 63.200 -0.738 0.000 1.039 576 S HN 0.405 nan 8.310 nan 0.000 0.548 577 L N 2.670 123.553 121.223 -0.567 0.000 2.283 577 L HA 0.545 4.885 4.340 -0.000 0.000 0.281 577 L C -1.678 174.940 176.870 -0.420 0.000 1.033 577 L CA -0.099 54.495 54.840 -0.410 0.000 0.848 577 L CB -0.562 41.263 42.059 -0.390 0.000 1.226 577 L HN 0.405 nan 8.230 nan 0.000 0.429 578 F N 4.561 124.504 119.950 -0.011 0.000 2.440 578 F HA 0.611 5.137 4.527 -0.000 0.000 0.328 578 F C -0.144 175.699 175.800 0.071 0.000 1.070 578 F CA -0.711 57.309 58.000 0.034 0.000 1.011 578 F CB 1.379 40.398 39.000 0.031 0.000 1.226 578 F HN 0.139 nan 8.300 nan 0.000 0.491 579 L N 1.779 123.229 121.223 0.378 0.000 2.427 579 L HA 0.348 4.688 4.340 -0.000 0.000 0.264 579 L C -0.779 176.309 176.870 0.365 0.000 0.989 579 L CA -0.134 54.912 54.840 0.344 0.000 0.865 579 L CB 1.457 43.710 42.059 0.323 0.000 1.209 579 L HN 0.462 nan 8.230 nan 0.000 0.430 580 S N 4.752 120.608 115.700 0.261 0.000 2.420 580 S HA 0.483 4.953 4.470 -0.000 0.000 0.313 580 S C -2.485 172.163 174.600 0.081 0.000 1.079 580 S CA -1.050 57.235 58.200 0.141 0.000 1.104 580 S CB 1.062 64.292 63.200 0.050 0.000 0.969 580 S HN 0.286 nan 8.310 nan 0.000 0.471 581 P HA 0.325 nan 4.420 nan 0.000 0.301 581 P C -0.999 176.156 177.300 -0.241 0.000 1.338 581 P CA -0.600 62.276 63.100 -0.373 0.000 0.834 581 P CB 1.328 32.693 31.700 -0.559 0.000 0.967 582 V N 6.383 126.157 119.914 -0.233 0.000 2.304 582 V HA 0.191 4.311 4.120 -0.000 0.000 0.262 582 V C 1.086 177.101 176.094 -0.131 0.000 1.061 582 V CA -0.677 61.542 62.300 -0.134 0.000 0.872 582 V CB 0.513 32.286 31.823 -0.083 0.000 1.077 582 V HN 0.563 nan 8.190 nan 0.000 0.480 583 I N 5.760 126.267 120.570 -0.106 0.000 2.648 583 I HA 0.125 4.295 4.170 -0.000 0.000 0.284 583 I C 1.018 177.114 176.117 -0.035 0.000 1.153 583 I CA -0.084 61.174 61.300 -0.070 0.000 1.426 583 I CB 0.525 38.499 38.000 -0.043 0.000 1.381 583 I HN 0.777 nan 8.210 nan 0.000 0.571 584 M N 6.032 125.624 119.600 -0.015 0.000 2.503 584 M HA -0.333 4.147 4.480 -0.000 0.000 0.199 584 M C 0.595 176.896 176.300 0.001 0.000 0.466 584 M CA 1.067 56.369 55.300 0.004 0.000 0.510 584 M CB -2.150 30.454 32.600 0.007 0.000 1.858 584 M HN 0.882 nan 8.290 nan 0.000 0.799 585 N N -0.730 117.965 118.700 -0.008 0.000 2.644 585 N HA -0.261 4.479 4.740 -0.000 0.000 0.248 585 N C -0.378 175.131 175.510 -0.003 0.000 1.150 585 N CA 1.504 54.553 53.050 -0.002 0.000 0.727 585 N CB -0.644 37.854 38.487 0.019 0.000 1.091 585 N HN 0.813 nan 8.380 nan 0.000 0.556 586 K N -0.380 120.012 120.400 -0.013 0.000 2.426 586 K HA 0.603 4.923 4.320 -0.000 0.000 0.254 586 K C -0.255 176.329 176.600 -0.026 0.000 0.936 586 K CA -0.986 55.293 56.287 -0.014 0.000 0.801 586 K CB 1.300 33.796 32.500 -0.007 0.000 1.139 586 K HN 0.143 nan 8.250 nan 0.000 0.424 587 c N 0.732 119.313 118.600 -0.031 0.000 2.365 587 c HA 0.742 5.312 4.570 -0.000 0.000 0.349 587 c C 0.625 174.692 174.090 -0.039 0.000 1.191 587 c CA -0.830 55.474 56.329 -0.042 0.000 2.114 587 c CB 0.635 43.114 42.510 -0.052 0.000 2.367 587 c HN 0.911 nan 8.230 nan 0.000 0.530 588 S N 1.631 117.305 115.700 -0.043 0.000 2.672 588 S HA 0.443 4.913 4.470 -0.000 0.000 0.276 588 S C -0.396 174.177 174.600 -0.044 0.000 1.207 588 S CA -0.601 57.575 58.200 -0.039 0.000 1.002 588 S CB 0.550 63.726 63.200 -0.039 0.000 0.998 588 S HN 0.930 nan 8.310 nan 0.000 0.542 589 Q N 0.736 120.512 119.800 -0.040 0.000 2.286 589 Q HA 0.504 4.844 4.340 -0.000 0.000 0.267 589 Q C 0.540 176.512 176.000 -0.047 0.000 1.028 589 Q CA -0.290 55.488 55.803 -0.042 0.000 0.901 589 Q CB -0.161 28.557 28.738 -0.035 0.000 1.183 589 Q HN 1.455 nan 8.270 nan 0.000 0.392 590 G N 1.085 109.853 108.800 -0.053 0.000 2.705 590 G HA2 0.082 4.042 3.960 -0.000 0.000 0.686 590 G HA3 0.082 4.042 3.960 -0.000 0.000 0.686 590 G C -0.489 174.370 174.900 -0.069 0.000 1.285 590 G CA -0.544 44.521 45.100 -0.058 0.000 0.800 590 G HN 1.064 nan 8.290 nan 0.000 0.611 591 A N 0.641 123.414 122.820 -0.079 0.000 2.259 591 A HA 0.839 5.159 4.320 -0.000 0.000 0.278 591 A C 1.180 178.708 177.584 -0.093 0.000 1.107 591 A CA 0.306 52.285 52.037 -0.096 0.000 0.828 591 A CB 0.404 19.332 19.000 -0.118 0.000 1.111 591 A HN 2.087 nan 8.150 nan 0.000 0.498 592 V N 0.113 119.961 119.914 -0.109 0.000 3.287 592 V HA 0.349 4.469 4.120 -0.000 0.000 0.306 592 V C 1.343 177.381 176.094 -0.093 0.000 1.103 592 V CA 0.001 62.240 62.300 -0.102 0.000 1.159 592 V CB -0.044 31.706 31.823 -0.122 0.000 1.036 592 V HN 1.175 nan 8.190 nan 0.000 0.487 593 A N 2.182 124.956 122.820 -0.077 0.000 2.364 593 A HA 0.539 4.859 4.320 -0.000 0.000 0.258 593 A C 1.027 178.572 177.584 -0.065 0.000 1.131 593 A CA 0.274 52.273 52.037 -0.063 0.000 0.800 593 A CB -0.595 18.375 19.000 -0.050 0.000 1.086 593 A HN 1.332 nan 8.150 nan 0.000 0.508 594 G N -1.801 106.969 108.800 -0.049 0.000 2.664 594 G HA2 0.428 4.388 3.960 -0.000 0.000 0.242 594 G HA3 0.428 4.388 3.960 -0.000 0.000 0.242 594 G C -0.065 174.814 174.900 -0.034 0.000 1.225 594 G CA 0.840 45.915 45.100 -0.041 0.000 0.849 594 G HN 1.351 nan 8.290 nan 0.000 0.581 595 E N -0.582 119.607 120.200 -0.018 0.000 6.993 595 E HA -0.126 4.224 4.350 -0.000 0.000 0.276 595 E C -2.329 174.266 176.600 -0.009 0.000 1.113 595 E CA 0.137 56.536 56.400 -0.001 0.000 1.400 595 E CB -0.689 29.009 29.700 -0.003 0.000 0.936 595 E HN 0.395 nan 8.360 nan 0.000 0.285 596 P HA 0.187 nan 4.420 nan 0.000 0.274 596 P C -0.531 176.772 177.300 0.004 0.000 1.237 596 P CA -0.398 62.713 63.100 0.019 0.000 0.793 596 P CB 0.561 32.353 31.700 0.154 0.000 0.977 597 R N 1.719 122.174 120.500 -0.074 0.000 2.340 597 R HA 0.132 4.472 4.340 -0.000 0.000 0.300 597 R C -0.058 176.297 176.300 0.092 0.000 1.069 597 R CA -0.186 55.867 56.100 -0.078 0.000 0.984 597 R CB 0.339 30.447 30.300 -0.321 0.000 1.003 597 R HN 0.502 nan 8.270 nan 0.000 0.459 598 Q N 3.903 123.781 119.800 0.129 0.000 2.259 598 Q HA 0.208 4.548 4.340 -0.000 0.000 0.249 598 Q C -0.186 175.955 176.000 0.235 0.000 0.914 598 Q CA -0.331 55.573 55.803 0.167 0.000 0.904 598 Q CB 1.500 30.294 28.738 0.093 0.000 1.213 598 Q HN 0.537 nan 8.270 nan 0.000 0.428 599 I N 5.121 125.808 120.570 0.196 0.000 2.494 599 I HA 0.065 4.235 4.170 -0.000 0.000 0.289 599 I C -1.663 174.485 176.117 0.052 0.000 1.106 599 I CA -1.550 59.808 61.300 0.096 0.000 1.369 599 I CB -0.062 37.943 38.000 0.009 0.000 1.410 599 I HN 0.345 nan 8.210 nan 0.000 0.523 600 P HA 0.144 nan 4.420 nan 0.000 0.275 600 P C -1.063 176.231 177.300 -0.010 0.000 1.227 600 P CA -0.419 62.695 63.100 0.023 0.000 0.781 600 P CB 0.771 32.491 31.700 0.034 0.000 0.906 601 K N 2.928 123.314 120.400 -0.024 0.000 2.156 601 K HA 0.566 4.886 4.320 -0.000 0.000 0.271 601 K C 0.005 176.559 176.600 -0.076 0.000 0.995 601 K CA -0.617 55.644 56.287 -0.044 0.000 0.890 601 K CB 1.133 33.607 32.500 -0.043 0.000 1.073 601 K HN 0.459 nan 8.250 nan 0.000 0.454 602 I N 2.016 122.523 120.570 -0.105 0.000 2.608 602 I HA 0.152 4.322 4.170 -0.000 0.000 0.295 602 I C 0.330 176.312 176.117 -0.225 0.000 1.049 602 I CA -0.489 60.704 61.300 -0.178 0.000 1.063 602 I CB 2.122 39.990 38.000 -0.220 0.000 1.248 602 I HN 0.617 nan 8.210 nan 0.000 0.424 603 Q N 2.523 122.173 119.800 -0.249 0.000 2.103 603 Q HA 0.196 4.536 4.340 -0.000 0.000 0.219 603 Q C 0.981 176.840 176.000 -0.234 0.000 0.784 603 Q CA -0.241 55.412 55.803 -0.250 0.000 1.014 603 Q CB 0.766 29.383 28.738 -0.203 0.000 1.183 603 Q HN 0.584 nan 8.270 nan 0.000 0.469 604 N N 0.980 119.485 118.700 -0.326 0.000 2.006 604 N HA -0.083 4.657 4.740 -0.000 0.000 0.196 604 N C 0.219 175.621 175.510 -0.180 0.000 1.057 604 N CA 1.057 53.921 53.050 -0.310 0.000 0.853 604 N CB -0.197 38.012 38.487 -0.464 0.000 1.051 604 N HN 0.072 nan 8.380 nan 0.000 0.423 605 F N 1.482 121.441 119.950 0.015 0.000 2.637 605 F HA -0.063 4.464 4.527 -0.000 0.000 0.372 605 F C 1.443 177.244 175.800 0.002 0.000 1.107 605 F CA -0.194 57.834 58.000 0.048 0.000 1.325 605 F CB -0.629 38.480 39.000 0.181 0.000 1.016 605 F HN -0.027 nan 8.300 nan 0.000 0.593 606 T N 1.010 115.687 114.554 0.204 0.000 2.929 606 T HA 0.485 4.835 4.350 -0.000 0.000 0.284 606 T C 1.173 175.927 174.700 0.089 0.000 1.014 606 T CA -1.070 61.088 62.100 0.097 0.000 1.051 606 T CB 1.756 70.659 68.868 0.058 0.000 1.028 606 T HN 0.541 nan 8.240 nan 0.000 0.485 607 R N 0.872 121.410 120.500 0.063 0.000 2.096 607 R HA -0.030 4.310 4.340 -0.000 0.000 0.229 607 R C 0.733 177.058 176.300 0.042 0.000 1.134 607 R CA 1.217 57.354 56.100 0.062 0.000 0.917 607 R CB -1.383 28.953 30.300 0.059 0.000 0.832 607 R HN 0.668 nan 8.270 nan 0.000 0.430 608 T N 2.711 117.280 114.554 0.025 0.000 2.871 608 T HA 0.024 4.374 4.350 -0.000 0.000 0.296 608 T C 0.120 174.809 174.700 -0.018 0.000 0.998 608 T CA 0.376 62.478 62.100 0.004 0.000 1.162 608 T CB 0.636 69.504 68.868 0.002 0.000 0.947 608 T HN 0.090 nan 8.240 nan 0.000 0.536 609 Q N 2.051 121.824 119.800 -0.045 0.000 2.304 609 Q HA 0.313 4.653 4.340 -0.000 0.000 0.270 609 Q C 0.663 176.609 176.000 -0.090 0.000 1.035 609 Q CA -0.656 55.094 55.803 -0.089 0.000 0.781 609 Q CB 2.483 31.125 28.738 -0.161 0.000 1.261 609 Q HN 0.658 nan 8.270 nan 0.000 0.444 610 K N 1.133 121.482 120.400 -0.086 0.000 1.967 610 K HA -0.010 4.310 4.320 -0.000 0.000 0.212 610 K C 0.812 177.354 176.600 -0.097 0.000 1.044 610 K CA 1.226 57.468 56.287 -0.076 0.000 0.942 610 K CB 0.110 32.573 32.500 -0.062 0.000 0.726 610 K HN 0.697 nan 8.250 nan 0.000 0.440 611 S N -0.570 115.058 115.700 -0.119 0.000 2.694 611 S HA 0.111 4.581 4.470 -0.000 0.000 0.278 611 S C 0.070 174.553 174.600 -0.194 0.000 1.152 611 S CA -0.993 57.125 58.200 -0.136 0.000 1.010 611 S CB 1.339 64.465 63.200 -0.123 0.000 1.104 611 S HN 0.387 nan 8.310 nan 0.000 0.547 612 C N 2.018 121.197 119.300 -0.201 0.000 2.262 612 C HA 0.441 4.901 4.460 -0.000 0.000 0.413 612 C C 1.624 176.405 174.990 -0.348 0.000 1.019 612 C CA -0.863 58.002 59.018 -0.255 0.000 1.320 612 C CB -2.897 24.717 27.740 -0.209 0.000 1.657 612 C HN 0.759 nan 8.230 nan 0.000 0.510 613 I N 2.776 123.047 120.570 -0.498 0.000 2.094 613 I HA -0.064 4.106 4.170 -0.000 0.000 0.234 613 I C 0.747 176.493 176.117 -0.617 0.000 1.063 613 I CA 1.497 62.422 61.300 -0.624 0.000 1.328 613 I CB -0.452 36.924 38.000 -1.039 0.000 1.058 613 I HN 0.418 nan 8.210 nan 0.000 0.400 614 F N 0.824 120.594 119.950 -0.299 0.000 2.640 614 F HA 0.172 4.699 4.527 -0.000 0.000 0.354 614 F C 1.151 176.702 175.800 -0.414 0.000 1.213 614 F CA -0.730 57.095 58.000 -0.292 0.000 1.314 614 F CB -1.062 37.960 39.000 0.036 0.000 1.679 614 F HN 0.107 nan 8.300 nan 0.000 0.622 615 C N 0.695 119.663 119.300 -0.554 0.000 3.529 615 C HA 0.180 4.640 4.460 -0.000 0.000 0.288 615 C C 2.834 177.622 174.990 -0.336 0.000 1.353 615 C CA 1.229 60.015 59.018 -0.388 0.000 1.705 615 C CB -0.790 26.744 27.740 -0.343 0.000 2.156 615 C HN 0.824 nan 8.230 nan 0.000 0.555 616 G N 0.158 108.774 108.800 -0.306 0.000 2.990 616 G HA2 0.124 4.084 3.960 -0.000 0.000 0.206 616 G HA3 0.124 4.084 3.960 -0.000 0.000 0.206 616 G C 0.303 175.475 174.900 0.453 0.000 1.169 616 G CA 0.245 45.384 45.100 0.064 0.000 0.819 616 G HN 0.298 nan 8.290 nan 0.000 0.517 617 F N 0.199 120.263 119.950 0.190 0.000 2.403 617 F HA 0.798 5.325 4.527 -0.000 0.000 0.326 617 F C 0.515 176.481 175.800 0.276 0.000 1.099 617 F CA -2.306 55.835 58.000 0.235 0.000 1.036 617 F CB 1.017 40.127 39.000 0.183 0.000 1.336 617 F HN 0.060 nan 8.300 nan 0.000 0.497 618 A N 0.513 123.586 122.820 0.421 0.000 2.515 618 A HA 0.756 5.076 4.320 -0.000 0.000 0.298 618 A C -1.595 176.078 177.584 0.148 0.000 1.059 618 A CA -0.634 51.589 52.037 0.310 0.000 0.698 618 A CB 1.393 20.571 19.000 0.297 0.000 1.289 618 A HN 0.646 nan 8.150 nan 0.000 0.404 619 L N 1.292 122.606 121.223 0.152 0.000 2.325 619 L HA 0.680 5.020 4.340 -0.000 0.000 0.278 619 L C -1.151 175.808 176.870 0.148 0.000 1.023 619 L CA -0.893 54.037 54.840 0.150 0.000 0.811 619 L CB 1.778 43.963 42.059 0.211 0.000 1.249 619 L HN 0.633 nan 8.230 nan 0.000 0.431 620 L N 2.978 124.277 121.223 0.127 0.000 2.446 620 L HA 0.410 4.750 4.340 -0.000 0.000 0.268 620 L C -0.320 176.604 176.870 0.091 0.000 0.975 620 L CA -0.054 54.845 54.840 0.098 0.000 0.848 620 L CB 1.848 43.937 42.059 0.050 0.000 1.225 620 L HN 0.611 nan 8.230 nan 0.000 0.410 621 S N 3.617 119.318 115.700 0.002 0.000 2.489 621 S HA 0.801 5.271 4.470 -0.000 0.000 0.291 621 S C -0.765 173.757 174.600 -0.129 0.000 1.151 621 S CA -0.520 57.537 58.200 -0.238 0.000 1.082 621 S CB 1.233 64.118 63.200 -0.525 0.000 1.019 621 S HN 0.561 nan 8.310 nan 0.000 0.492 622 Y N -0.666 119.513 120.300 -0.200 0.000 2.512 622 Y HA 0.741 5.291 4.550 -0.000 0.000 0.348 622 Y C -0.896 174.909 175.900 -0.158 0.000 0.990 622 Y CA -1.375 56.645 58.100 -0.132 0.000 1.033 622 Y CB 0.816 39.243 38.460 -0.055 0.000 1.259 622 Y HN 0.631 nan 8.280 nan 0.000 0.461 623 D N 1.950 122.343 120.400 -0.010 0.000 2.210 623 D HA 0.171 4.811 4.640 -0.000 0.000 0.249 623 D C 0.771 177.099 176.300 0.048 0.000 1.062 623 D CA -0.191 53.743 54.000 -0.111 0.000 0.891 623 D CB 1.462 42.178 40.800 -0.139 0.000 1.186 623 D HN 0.822 nan 8.370 nan 0.000 0.432 624 E N 1.797 121.969 120.200 -0.046 0.000 2.058 624 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 624 E C 1.247 177.769 176.600 -0.130 0.000 0.997 624 E CA 1.339 57.754 56.400 0.025 0.000 0.801 624 E CB 0.286 29.934 29.700 -0.086 0.000 0.746 624 E HN 0.427 nan 8.360 nan 0.000 0.450 625 K N 0.171 120.372 120.400 -0.332 0.000 2.005 625 K HA -0.031 4.289 4.320 -0.000 0.000 0.206 625 K C 1.010 177.559 176.600 -0.086 0.000 1.044 625 K CA 0.703 56.819 56.287 -0.284 0.000 0.942 625 K CB 0.024 32.286 32.500 -0.396 0.000 0.727 625 K HN -0.049 nan 8.250 nan 0.000 0.439 626 E N -0.385 119.757 120.200 -0.097 0.000 2.622 626 E HA 0.158 4.508 4.350 -0.000 0.000 0.255 626 E C 0.634 177.234 176.600 -0.001 0.000 1.313 626 E CA -0.012 56.361 56.400 -0.046 0.000 1.011 626 E CB 0.330 29.990 29.700 -0.067 0.000 1.173 626 E HN 0.240 nan 8.360 nan 0.000 0.601 627 G N -0.319 108.483 108.800 0.003 0.000 2.711 627 G HA2 0.158 4.118 3.960 -0.000 0.000 0.186 627 G HA3 0.158 4.118 3.960 -0.000 0.000 0.186 627 G C -0.466 174.458 174.900 0.040 0.000 1.635 627 G CA -0.485 44.626 45.100 0.018 0.000 1.065 627 G HN 0.310 nan 8.290 nan 0.000 0.545 628 L N 0.731 121.975 121.223 0.034 0.000 2.305 628 L HA 0.280 4.620 4.340 -0.000 0.000 0.281 628 L C 1.184 178.059 176.870 0.009 0.000 1.085 628 L CA -0.684 54.186 54.840 0.050 0.000 0.813 628 L CB 1.435 43.520 42.059 0.043 0.000 1.157 628 L HN 0.474 nan 8.230 nan 0.000 0.436 629 E N 1.823 122.013 120.200 -0.016 0.000 2.025 629 E HA 0.046 4.396 4.350 -0.000 0.000 0.198 629 E C 0.537 177.110 176.600 -0.045 0.000 0.955 629 E CA 0.936 57.298 56.400 -0.064 0.000 0.862 629 E CB 0.121 29.738 29.700 -0.138 0.000 0.837 629 E HN 0.723 nan 8.360 nan 0.000 0.488 630 T N -1.692 112.837 114.554 -0.043 0.000 2.907 630 T HA 0.528 4.878 4.350 -0.000 0.000 0.292 630 T C -0.318 174.424 174.700 0.071 0.000 1.043 630 T CA -0.764 61.345 62.100 0.015 0.000 1.003 630 T CB 2.279 71.171 68.868 0.041 0.000 1.084 630 T HN 0.033 nan 8.240 nan 0.000 0.483 631 T N 1.030 115.638 114.554 0.090 0.000 2.876 631 T HA 0.704 5.054 4.350 -0.000 0.000 0.289 631 T C -1.128 173.659 174.700 0.144 0.000 1.014 631 T CA -0.329 61.839 62.100 0.113 0.000 0.986 631 T CB 1.490 70.398 68.868 0.067 0.000 1.021 631 T HN 0.891 nan 8.240 nan 0.000 0.458 632 T N 3.671 118.328 114.554 0.173 0.000 2.916 632 T HA 0.402 4.752 4.350 -0.000 0.000 0.298 632 T C -1.789 173.078 174.700 0.278 0.000 1.031 632 T CA -0.469 61.747 62.100 0.193 0.000 0.993 632 T CB 1.091 69.982 68.868 0.037 0.000 1.045 632 T HN 0.603 nan 8.240 nan 0.000 0.454 633 Y N 3.464 123.897 120.300 0.223 0.000 2.402 633 Y HA 0.534 5.084 4.550 -0.000 0.000 0.332 633 Y C -0.144 175.876 175.900 0.200 0.000 0.960 633 Y CA -1.192 57.039 58.100 0.218 0.000 1.228 633 Y CB 0.406 39.003 38.460 0.229 0.000 1.120 633 Y HN 0.595 nan 8.280 nan 0.000 0.491 634 I N 7.409 127.871 120.570 -0.179 0.000 2.455 634 I HA -0.055 4.115 4.170 -0.000 0.000 0.303 634 I C 1.440 177.258 176.117 -0.498 0.000 1.180 634 I CA 0.255 61.391 61.300 -0.273 0.000 1.469 634 I CB 0.170 38.092 38.000 -0.129 0.000 1.480 634 I HN 0.795 nan 8.210 nan 0.000 0.669 635 T N 1.640 115.911 114.554 -0.472 0.000 2.622 635 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 635 T C 0.935 175.471 174.700 -0.272 0.000 1.047 635 T CA 1.287 63.155 62.100 -0.387 0.000 1.159 635 T CB -0.125 68.616 68.868 -0.212 0.000 0.863 635 T HN 0.616 nan 8.240 nan 0.000 0.422 636 S N -0.622 114.939 115.700 -0.233 0.000 2.806 636 S HA 0.539 5.009 4.470 -0.000 0.000 0.306 636 S C 0.748 175.248 174.600 -0.166 0.000 1.167 636 S CA -0.455 57.641 58.200 -0.173 0.000 0.847 636 S CB 1.841 64.966 63.200 -0.125 0.000 1.216 636 S HN 0.222 nan 8.310 nan 0.000 0.532 637 Q N 1.485 121.203 119.800 -0.137 0.000 2.029 637 Q HA -0.236 4.104 4.340 -0.000 0.000 0.209 637 Q C 1.932 177.862 176.000 -0.117 0.000 0.999 637 Q CA 2.941 58.668 55.803 -0.126 0.000 0.857 637 Q CB -0.897 27.777 28.738 -0.105 0.000 0.926 637 Q HN 0.904 nan 8.270 nan 0.000 0.415 638 E N -1.043 119.092 120.200 -0.109 0.000 2.114 638 E HA -0.239 4.111 4.350 -0.000 0.000 0.199 638 E C 1.831 178.358 176.600 -0.123 0.000 1.008 638 E CA 1.937 58.275 56.400 -0.104 0.000 0.810 638 E CB -0.610 29.030 29.700 -0.100 0.000 0.739 638 E HN 0.288 nan 8.360 nan 0.000 0.456 639 V N 1.380 121.197 119.914 -0.163 0.000 2.307 639 V HA -0.300 3.820 4.120 -0.000 0.000 0.245 639 V C 2.756 178.764 176.094 -0.143 0.000 1.045 639 V CA 2.224 64.407 62.300 -0.195 0.000 1.024 639 V CB -0.933 30.715 31.823 -0.292 0.000 0.651 639 V HN 0.340 nan 8.190 nan 0.000 0.449 640 Q N 0.301 120.030 119.800 -0.118 0.000 2.135 640 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 640 Q C 2.132 178.116 176.000 -0.027 0.000 0.981 640 Q CA 1.968 57.738 55.803 -0.055 0.000 0.856 640 Q CB -0.132 28.564 28.738 -0.070 0.000 0.902 640 Q HN 0.695 nan 8.270 nan 0.000 0.425 641 N N 0.259 118.928 118.700 -0.052 0.000 2.171 641 N HA -0.105 4.635 4.740 -0.000 0.000 0.184 641 N C 1.640 177.139 175.510 -0.018 0.000 1.021 641 N CA 1.498 54.530 53.050 -0.030 0.000 0.854 641 N CB -0.184 38.276 38.487 -0.046 0.000 0.994 641 N HN 0.302 nan 8.380 nan 0.000 0.426 642 S N -0.009 115.663 115.700 -0.046 0.000 2.803 642 S HA 0.147 4.617 4.470 -0.000 0.000 0.226 642 S C 1.504 176.084 174.600 -0.034 0.000 0.962 642 S CA 0.190 58.365 58.200 -0.041 0.000 0.968 642 S CB -0.387 62.771 63.200 -0.070 0.000 0.786 642 S HN 0.257 nan 8.310 nan 0.000 0.527 643 I N -0.879 119.681 120.570 -0.016 0.000 4.228 643 I HA 0.187 4.357 4.170 -0.000 0.000 0.298 643 I C 1.597 177.817 176.117 0.170 0.000 1.206 643 I CA 0.133 61.422 61.300 -0.018 0.000 1.322 643 I CB 0.091 37.995 38.000 -0.160 0.000 1.411 643 I HN 0.202 nan 8.210 nan 0.000 0.454 644 L N 0.840 122.176 121.223 0.188 0.000 2.313 644 L HA -0.021 4.319 4.340 -0.000 0.000 0.214 644 L C 2.576 179.536 176.870 0.151 0.000 1.119 644 L CA 1.159 56.142 54.840 0.237 0.000 0.809 644 L CB -0.445 41.717 42.059 0.172 0.000 0.933 644 L HN 0.312 nan 8.230 nan 0.000 0.449 645 S N -0.865 114.892 115.700 0.096 0.000 2.387 645 S HA -0.014 4.456 4.470 -0.000 0.000 0.221 645 S C 1.372 176.011 174.600 0.066 0.000 1.041 645 S CA 0.233 58.470 58.200 0.062 0.000 0.959 645 S CB -0.476 62.743 63.200 0.031 0.000 0.843 645 S HN 0.426 nan 8.310 nan 0.000 0.488 646 S N 2.360 118.103 115.700 0.071 0.000 2.634 646 S HA 0.250 4.720 4.470 -0.000 0.000 0.254 646 S C 0.279 174.929 174.600 0.083 0.000 1.299 646 S CA -0.594 57.646 58.200 0.066 0.000 0.974 646 S CB -0.218 63.022 63.200 0.066 0.000 1.001 646 S HN 0.430 nan 8.310 nan 0.000 0.584 647 N N 0.376 119.108 118.700 0.053 0.000 2.597 647 N HA 0.097 4.837 4.740 -0.000 0.000 0.269 647 N C 0.169 175.669 175.510 -0.016 0.000 1.204 647 N CA -0.015 53.043 53.050 0.013 0.000 0.947 647 N CB -0.354 38.122 38.487 -0.020 0.000 1.258 647 N HN 0.700 nan 8.380 nan 0.000 0.508 648 Y N 0.538 120.767 120.300 -0.118 0.000 2.274 648 Y HA -0.046 4.504 4.550 -0.000 0.000 0.290 648 Y C -0.018 175.599 175.900 -0.472 0.000 1.145 648 Y CA 1.131 59.076 58.100 -0.260 0.000 1.203 648 Y CB -0.001 38.258 38.460 -0.336 0.000 0.984 648 Y HN -0.086 nan 8.280 nan 0.000 0.533 649 F N 0.448 120.162 119.950 -0.392 0.000 2.399 649 F HA 0.348 4.875 4.527 -0.000 0.000 0.328 649 F C -0.081 175.221 175.800 -0.831 0.000 1.084 649 F CA -0.712 56.696 58.000 -0.987 0.000 1.053 649 F CB 1.119 39.454 39.000 -1.108 0.000 1.209 649 F HN -0.178 nan 8.300 nan 0.000 0.502 650 D N 1.623 121.611 120.400 -0.687 0.000 2.934 650 D HA 0.154 4.794 4.640 -0.000 0.000 0.249 650 D C -0.039 176.159 176.300 -0.170 0.000 1.293 650 D CA -0.235 53.559 54.000 -0.344 0.000 0.812 650 D CB -0.295 40.440 40.800 -0.110 0.000 1.439 650 D HN 0.174 nan 8.370 nan 0.000 0.555 651 F N 0.095 120.084 119.950 0.064 0.000 2.451 651 F HA 0.074 4.601 4.527 -0.000 0.000 0.299 651 F C 1.685 177.507 175.800 0.036 0.000 1.101 651 F CA 0.304 58.349 58.000 0.075 0.000 1.436 651 F CB -0.153 38.861 39.000 0.023 0.000 1.074 651 F HN 0.200 nan 8.300 nan 0.000 0.553 652 D N 0.690 121.159 120.400 0.114 0.000 2.663 652 D HA -0.026 4.614 4.640 -0.000 0.000 0.243 652 D C 0.052 176.355 176.300 0.006 0.000 1.218 652 D CA 0.375 54.408 54.000 0.056 0.000 0.846 652 D CB -0.494 40.322 40.800 0.026 0.000 1.014 652 D HN 0.167 nan 8.370 nan 0.000 0.476 653 N N 1.446 120.150 118.700 0.007 0.000 2.594 653 N HA 0.009 4.749 4.740 -0.000 0.000 0.280 653 N C 0.841 176.282 175.510 -0.116 0.000 1.156 653 N CA -0.435 52.577 53.050 -0.063 0.000 0.831 653 N CB 1.034 39.489 38.487 -0.053 0.000 1.379 653 N HN -0.139 nan 8.380 nan 0.000 0.536 654 L N 2.357 123.468 121.223 -0.187 0.000 2.191 654 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 654 L C 1.724 178.391 176.870 -0.339 0.000 1.103 654 L CA 1.290 55.998 54.840 -0.219 0.000 0.769 654 L CB -0.868 41.061 42.059 -0.217 0.000 0.908 654 L HN 0.596 nan 8.230 nan 0.000 0.438 655 H N -0.832 118.079 119.070 -0.265 0.000 2.389 655 H HA 0.076 4.632 4.556 -0.000 0.000 0.299 655 H C 0.559 175.582 175.328 -0.508 0.000 1.081 655 H CA 0.340 56.184 56.048 -0.340 0.000 1.345 655 H CB -0.004 29.604 29.762 -0.256 0.000 1.393 655 H HN 0.041 nan 8.280 nan 0.000 0.520 656 V N 2.411 122.090 119.914 -0.392 0.000 2.472 656 V HA 0.179 4.299 4.120 -0.000 0.000 0.290 656 V C 0.117 175.760 176.094 -0.752 0.000 1.037 656 V CA -0.594 61.364 62.300 -0.569 0.000 0.908 656 V CB 1.909 33.465 31.823 -0.446 0.000 0.985 656 V HN 0.335 nan 8.190 nan 0.000 0.454 657 H N 2.713 121.342 119.070 -0.734 0.000 2.679 657 H HA 0.549 5.105 4.556 -0.000 0.000 0.367 657 H C -1.546 173.362 175.328 -0.701 0.000 1.162 657 H CA -0.601 55.086 56.048 -0.601 0.000 1.181 657 H CB 1.913 31.192 29.762 -0.805 0.000 1.693 657 H HN 0.570 nan 8.280 nan 0.000 0.538 658 Y N 1.373 121.721 120.300 0.081 0.000 2.326 658 Y HA 0.278 4.828 4.550 -0.000 0.000 0.331 658 Y C -0.448 175.543 175.900 0.152 0.000 0.962 658 Y CA -0.744 57.441 58.100 0.141 0.000 1.167 658 Y CB 1.245 39.928 38.460 0.372 0.000 1.148 658 Y HN 0.248 nan 8.280 nan 0.000 0.463 659 L N 3.910 125.266 121.223 0.221 0.000 2.334 659 L HA 0.570 4.910 4.340 -0.000 0.000 0.272 659 L C -1.039 175.869 176.870 0.063 0.000 1.020 659 L CA -0.878 54.033 54.840 0.119 0.000 0.812 659 L CB 1.635 43.740 42.059 0.077 0.000 1.264 659 L HN 0.521 nan 8.230 nan 0.000 0.439 660 L N 3.074 124.271 121.223 -0.044 0.000 2.372 660 L HA 0.547 4.887 4.340 -0.000 0.000 0.274 660 L C -1.355 175.371 176.870 -0.239 0.000 0.988 660 L CA -0.150 54.626 54.840 -0.107 0.000 0.833 660 L CB 1.167 43.147 42.059 -0.131 0.000 1.236 660 L HN 0.358 nan 8.230 nan 0.000 0.410 661 L N 4.794 125.832 121.223 -0.307 0.000 2.264 661 L HA 0.577 4.917 4.340 -0.000 0.000 0.289 661 L C 0.676 177.380 176.870 -0.276 0.000 1.044 661 L CA -0.507 53.993 54.840 -0.565 0.000 0.807 661 L CB 1.388 42.753 42.059 -1.156 0.000 1.192 661 L HN 0.714 nan 8.230 nan 0.000 0.425 662 T N -2.492 111.886 114.554 -0.294 0.000 2.884 662 T HA 0.187 4.537 4.350 -0.000 0.000 0.277 662 T C 1.327 176.045 174.700 0.029 0.000 0.976 662 T CA 0.005 61.680 62.100 -0.709 0.000 0.956 662 T CB 1.328 69.576 68.868 -1.033 0.000 1.113 662 T HN 0.688 nan 8.240 nan 0.000 0.554 663 T N -0.861 113.796 114.554 0.171 0.000 2.929 663 T HA -0.022 4.328 4.350 -0.000 0.000 0.271 663 T C 0.687 175.500 174.700 0.188 0.000 1.085 663 T CA 0.352 62.649 62.100 0.329 0.000 1.125 663 T CB -0.668 68.448 68.868 0.414 0.000 0.874 663 T HN 0.605 nan 8.240 nan 0.000 0.494 664 N N 1.332 120.108 118.700 0.127 0.000 2.495 664 N HA 0.407 5.147 4.740 -0.000 0.000 0.280 664 N C 0.965 176.559 175.510 0.140 0.000 1.168 664 N CA -0.236 52.877 53.050 0.104 0.000 0.978 664 N CB 0.914 39.457 38.487 0.092 0.000 1.191 664 N HN 0.292 nan 8.380 nan 0.000 0.497 665 G N -0.221 108.632 108.800 0.088 0.000 3.229 665 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.214 665 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.214 665 G C 0.446 175.562 174.900 0.360 0.000 1.256 665 G CA 0.203 45.368 45.100 0.109 0.000 1.042 665 G HN 0.643 nan 8.290 nan 0.000 0.497 666 T N -2.512 112.233 114.554 0.317 0.000 2.907 666 T HA 0.657 5.007 4.350 -0.000 0.000 0.284 666 T C -0.537 174.201 174.700 0.064 0.000 1.004 666 T CA -0.781 61.483 62.100 0.275 0.000 1.063 666 T CB 2.575 71.531 68.868 0.147 0.000 0.992 666 T HN -0.045 nan 8.240 nan 0.000 0.483 667 V N 3.972 123.709 119.914 -0.294 0.000 2.876 667 V HA 0.747 4.867 4.120 -0.000 0.000 0.312 667 V C -0.223 175.651 176.094 -0.367 0.000 1.085 667 V CA -1.035 60.954 62.300 -0.519 0.000 0.945 667 V CB 1.779 33.024 31.823 -0.964 0.000 1.017 667 V HN 1.158 nan 8.190 nan 0.000 0.428 668 M N 1.319 120.792 119.600 -0.212 0.000 2.465 668 M HA 0.690 5.170 4.480 -0.000 0.000 0.284 668 M C -1.055 175.225 176.300 -0.034 0.000 1.212 668 M CA -0.614 54.631 55.300 -0.092 0.000 0.910 668 M CB 2.482 35.070 32.600 -0.019 0.000 1.725 668 M HN 0.620 nan 8.290 nan 0.000 0.477 669 E N 1.984 122.181 120.200 -0.004 0.000 2.277 669 E HA 0.703 5.053 4.350 -0.000 0.000 0.274 669 E C -1.624 175.007 176.600 0.051 0.000 1.022 669 E CA -0.663 55.767 56.400 0.050 0.000 0.853 669 E CB 1.549 31.265 29.700 0.026 0.000 1.086 669 E HN 0.707 nan 8.360 nan 0.000 0.397 670 I N 1.912 122.559 120.570 0.127 0.000 2.603 670 I HA 0.550 4.720 4.170 -0.000 0.000 0.300 670 I C -0.460 175.583 176.117 -0.124 0.000 1.017 670 I CA -0.709 60.602 61.300 0.018 0.000 1.098 670 I CB 2.010 40.060 38.000 0.084 0.000 1.279 670 I HN 0.621 nan 8.210 nan 0.000 0.437 671 A N 4.165 126.642 122.820 -0.573 0.000 3.134 671 A HA 0.671 4.991 4.320 -0.000 0.000 0.237 671 A C -0.364 176.569 177.584 -1.085 0.000 1.233 671 A CA 0.000 51.412 52.037 -1.042 0.000 1.112 671 A CB 0.041 18.847 19.000 -0.323 0.000 1.365 671 A HN 0.971 nan 8.150 nan 0.000 0.796 672 G N 0.000 107.958 108.800 -1.403 0.000 5.446 672 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 672 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 672 G CA 0.000 44.727 45.100 -0.622 0.000 0.502 672 G HN 0.000 nan 8.290 nan 0.000 0.925